USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1536 hydrogens (17 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 GLN :FLIP amide:sc= -3.71! C(o=-11!,f=-4.3!) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.551 K(o=-4.3,f=-5.3) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.739 K(o=0.22,f=-5.9!) USER MOD Set 2.2: A 135 ASN : amide:sc= 0.958 K(o=0.22,f=-1) USER MOD Set 3.1: A 69 THR OG1 : rot -140:sc= 0.0266 USER MOD Set 3.2: A 117 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.12) USER MOD Set 4.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 1 MET CE :methyl 164:sc= 0 (180deg=-0.095) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 153:sc= 0.368 USER MOD Single : A 3 GLN : amide:sc= -0.133 K(o=-0.13,f=-1) USER MOD Single : A 4 SER OG : rot 120:sc= 1.01 USER MOD Single : A 14 SER OG : rot 113:sc= 0.662 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 0.264 (180deg=0.0291) USER MOD Single : A 18 SER OG : rot -39:sc= 0.0038 USER MOD Single : A 19 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -5.99! (180deg=-6.57!) USER MOD Single : A 22 TYR OH : rot 116:sc= 0.00565 USER MOD Single : A 26 GLN : amide:sc= -0.0586 K(o=-0.059,f=-1.2!) USER MOD Single : A 28 SER OG : rot 7:sc= -0.764! USER MOD Single : A 33 ASN :FLIP amide:sc= -0.148 F(o=-1.3!,f=-0.15) USER MOD Single : A 35 THR OG1 : rot 48:sc= 0.145 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 171:sc= 0.817 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= 0.238! (180deg=0.00145!) USER MOD Single : A 61 TYR OH : rot 6:sc= 1.27 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.62 F(o=-3.4!,f=-1.6) USER MOD Single : A 73 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.24) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.27! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 55:sc= 0.213 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 82 SER OG : rot -120:sc= 1.19 USER MOD Single : A 85 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.7!) USER MOD Single : A 88 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.12) USER MOD Single : A 96 ASN :FLIP amide:sc= -4.55! C(o=-8.6!,f=-4.5!) USER MOD Single : A 105 SER OG : rot -100:sc= -0.061 USER MOD Single : A 111 CYS SG : rot 175:sc= -13.2! USER MOD Single : A 114 SER OG : rot 69:sc= 0.608 USER MOD Single : A 119 MET CE :methyl -149:sc= -4.82! (180deg=-11!) USER MOD Single : A 120 GLN : amide:sc= -2.04! C(o=-2!,f=-4.5!) USER MOD Single : A 124 SER OG : rot -100:sc= -1.08 USER MOD Single : A 130 MET CE :methyl 172:sc= -7.79! (180deg=-8.49!) USER MOD Single : A 132 THR OG1 : rot 76:sc= 0.417 USER MOD Single : A 133 TYR OH : rot 180:sc= 0.905 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.417 F(o=-5!,f=-0.42) USER MOD Single : A 150 THR OG1 : rot -120:sc= -0.192 USER MOD Single : A 155 TYR OH : rot -60:sc= -2.53! USER MOD Single : A 158 ASN : amide:sc= 0.239 X(o=0.24,f=-0.013) USER MOD Single : A 163 SER OG : rot 160:sc= 0.447 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN :FLIP amide:sc= -0.915 F(o=-3.3!,f=-0.91) USER MOD Single : A 172 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 173 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 174 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 175 HIS : no HD1:sc= -0.052 X(o=-0.052,f=-0.0077) USER MOD Single : A 176 HIS : no HD1:sc= -0.02 X(o=-0.02,f=0) USER MOD Single : A 177 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 180 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.015) USER MOD Single : A 181 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 182 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 HIS :FLIP no HD1:sc= -0.16 F(o=-0.8,f=-0.16) USER MOD Single : A 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B1016 ASN :FLIP amide:sc= -0.936 F(o=-3.4!,f=-0.94) USER MOD Single : B1100 33B O62 : rot 180:sc= -4.52! USER MOD Single : B1100 33B O72 : rot 48:sc= 1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.620 11.127 16.061 1.00 4.13 N ATOM 2 CA MET A 1 3.376 11.555 15.383 1.00 3.61 C ATOM 3 C MET A 1 2.732 10.369 14.673 1.00 2.48 C ATOM 4 O MET A 1 1.588 10.019 14.957 1.00 2.89 O ATOM 5 CB MET A 1 3.673 12.672 14.378 1.00 4.18 C ATOM 6 CG MET A 1 2.424 13.315 13.794 1.00 4.89 C ATOM 7 SD MET A 1 2.802 14.597 12.583 1.00 5.86 S ATOM 8 CE MET A 1 1.160 15.225 12.244 1.00 6.21 C ATOM 0 H1 MET A 1 5.051 11.942 16.542 1.00 4.13 H new ATOM 0 H2 MET A 1 4.398 10.390 16.760 1.00 4.13 H new ATOM 0 H3 MET A 1 5.286 10.748 15.358 1.00 4.13 H new ATOM 0 HA MET A 1 2.684 11.937 16.133 1.00 3.61 H new ATOM 0 HB2 MET A 1 4.272 13.440 14.868 1.00 4.18 H new ATOM 0 HB3 MET A 1 4.277 12.267 13.566 1.00 4.18 H new ATOM 0 HG2 MET A 1 1.811 12.546 13.324 1.00 4.89 H new ATOM 0 HG3 MET A 1 1.831 13.746 14.601 1.00 4.89 H new ATOM 0 HE1 MET A 1 1.236 16.191 11.744 1.00 6.21 H new ATOM 0 HE2 MET A 1 0.628 14.524 11.600 1.00 6.21 H new ATOM 0 HE3 MET A 1 0.615 15.343 13.181 1.00 6.21 H new ATOM 20 N SER A 2 3.486 9.768 13.748 1.00 1.64 N ATOM 21 CA SER A 2 3.069 8.570 13.007 1.00 0.95 C ATOM 22 C SER A 2 1.664 8.700 12.405 1.00 0.84 C ATOM 23 O SER A 2 0.986 7.706 12.176 1.00 1.03 O ATOM 24 CB SER A 2 3.181 7.316 13.894 1.00 1.55 C ATOM 25 OG SER A 2 2.489 7.458 15.125 1.00 1.87 O ATOM 0 H SER A 2 4.414 10.102 13.488 1.00 1.64 H new ATOM 0 HA SER A 2 3.753 8.465 12.165 1.00 0.95 H new ATOM 0 HB2 SER A 2 2.783 6.456 13.354 1.00 1.55 H new ATOM 0 HB3 SER A 2 4.232 7.109 14.094 1.00 1.55 H new ATOM 0 HG SER A 2 2.213 6.575 15.449 1.00 1.87 H new ATOM 31 N GLN A 3 1.252 9.928 12.107 1.00 0.73 N ATOM 32 CA GLN A 3 -0.060 10.172 11.511 1.00 0.73 C ATOM 33 C GLN A 3 0.058 10.151 9.995 1.00 0.61 C ATOM 34 O GLN A 3 -0.920 10.332 9.267 1.00 0.64 O ATOM 35 CB GLN A 3 -0.617 11.518 11.976 1.00 0.83 C ATOM 36 CG GLN A 3 -2.117 11.641 11.785 1.00 1.13 C ATOM 37 CD GLN A 3 -2.891 10.753 12.739 1.00 1.76 C ATOM 38 OE1 GLN A 3 -2.457 10.499 13.863 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.041 10.270 12.298 1.00 2.22 N ATOM 0 H GLN A 3 1.806 10.770 12.268 1.00 0.73 H new ATOM 0 HA GLN A 3 -0.746 9.387 11.831 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.379 11.658 13.030 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -0.120 12.319 11.428 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.416 12.679 11.933 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.373 11.379 10.759 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.366 10.504 11.360 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -4.602 9.664 12.896 1.00 2.22 H new ATOM 48 N SER A 4 1.270 9.909 9.531 1.00 0.55 N ATOM 49 CA SER A 4 1.568 9.886 8.114 1.00 0.52 C ATOM 50 C SER A 4 0.993 8.627 7.456 1.00 0.45 C ATOM 51 O SER A 4 1.070 8.455 6.239 1.00 0.46 O ATOM 52 CB SER A 4 3.078 9.938 7.933 1.00 0.61 C ATOM 53 OG SER A 4 3.683 10.701 8.964 1.00 1.25 O ATOM 0 H SER A 4 2.076 9.723 10.128 1.00 0.55 H new ATOM 0 HA SER A 4 1.108 10.749 7.633 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.484 8.927 7.937 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.318 10.374 6.963 1.00 0.61 H new ATOM 0 HG SER A 4 4.315 10.139 9.459 1.00 1.25 H new ATOM 59 N ASN A 5 0.412 7.755 8.275 1.00 0.43 N ATOM 60 CA ASN A 5 -0.230 6.536 7.790 1.00 0.39 C ATOM 61 C ASN A 5 -1.413 6.858 6.887 1.00 0.35 C ATOM 62 O ASN A 5 -1.778 6.059 6.023 1.00 0.35 O ATOM 63 CB ASN A 5 -0.686 5.653 8.956 1.00 0.40 C ATOM 64 CG ASN A 5 -1.242 6.424 10.130 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.835 7.492 9.975 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.048 5.877 11.320 1.00 0.53 N ATOM 0 H ASN A 5 0.373 7.872 9.288 1.00 0.43 H new ATOM 0 HA ASN A 5 0.510 5.988 7.207 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.446 4.959 8.597 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.158 5.053 9.296 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.396 6.343 12.158 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.551 4.990 11.399 1.00 0.53 H new ATOM 73 N ARG A 6 -2.009 8.024 7.101 1.00 0.35 N ATOM 74 CA ARG A 6 -3.065 8.524 6.229 1.00 0.34 C ATOM 75 C ARG A 6 -2.618 8.485 4.773 1.00 0.31 C ATOM 76 O ARG A 6 -3.321 7.962 3.906 1.00 0.30 O ATOM 77 CB ARG A 6 -3.425 9.960 6.616 1.00 0.41 C ATOM 78 CG ARG A 6 -4.456 10.584 5.695 1.00 0.59 C ATOM 79 CD ARG A 6 -5.747 9.795 5.727 1.00 0.41 C ATOM 80 NE ARG A 6 -6.459 9.987 6.991 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.513 9.277 7.383 1.00 0.69 C ATOM 82 NH1 ARG A 6 -7.976 8.284 6.636 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.097 9.562 8.538 1.00 0.93 N ATOM 0 H ARG A 6 -1.777 8.645 7.876 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.941 7.886 6.346 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.806 9.970 7.637 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.522 10.570 6.606 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.646 11.614 5.997 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.069 10.617 4.677 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.384 10.103 4.898 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.531 8.736 5.586 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.122 10.719 7.617 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.523 8.058 5.751 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.785 7.746 6.947 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.738 10.320 9.118 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.906 9.023 8.847 1.00 0.93 H new ATOM 97 N GLU A 7 -1.435 9.030 4.537 1.00 0.30 N ATOM 98 CA GLU A 7 -0.844 9.122 3.208 1.00 0.29 C ATOM 99 C GLU A 7 -0.858 7.784 2.482 1.00 0.25 C ATOM 100 O GLU A 7 -1.306 7.690 1.346 1.00 0.26 O ATOM 101 CB GLU A 7 0.605 9.577 3.325 1.00 0.31 C ATOM 102 CG GLU A 7 0.798 10.978 3.861 1.00 0.40 C ATOM 103 CD GLU A 7 2.268 11.331 3.964 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.994 11.231 2.958 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.694 11.753 5.061 1.00 0.53 O ATOM 0 H GLU A 7 -0.849 9.427 5.272 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.440 9.836 2.640 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.137 8.881 3.973 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.069 9.514 2.341 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.295 11.692 3.208 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.332 11.061 4.843 1.00 0.40 H new ATOM 112 N LEU A 8 -0.327 6.767 3.151 1.00 0.26 N ATOM 113 CA LEU A 8 -0.194 5.424 2.613 1.00 0.27 C ATOM 114 C LEU A 8 -1.501 4.909 2.031 1.00 0.28 C ATOM 115 O LEU A 8 -1.506 4.136 1.076 1.00 0.40 O ATOM 116 CB LEU A 8 0.297 4.514 3.736 1.00 0.34 C ATOM 117 CG LEU A 8 1.787 4.650 4.081 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.293 6.082 3.956 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.065 4.131 5.477 1.00 1.16 C ATOM 0 H LEU A 8 0.030 6.858 4.102 1.00 0.26 H new ATOM 0 HA LEU A 8 0.522 5.436 1.791 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.288 4.721 4.632 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.098 3.479 3.457 1.00 0.34 H new ATOM 0 HG LEU A 8 2.327 4.046 3.351 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.352 6.117 4.212 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.155 6.428 2.932 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.734 6.726 4.635 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.127 4.237 5.700 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.483 4.703 6.200 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.785 3.079 5.537 1.00 1.16 H new ATOM 131 N VAL A 9 -2.600 5.347 2.608 1.00 0.23 N ATOM 132 CA VAL A 9 -3.909 5.036 2.082 1.00 0.23 C ATOM 133 C VAL A 9 -4.235 5.958 0.920 1.00 0.23 C ATOM 134 O VAL A 9 -4.449 5.519 -0.206 1.00 0.24 O ATOM 135 CB VAL A 9 -4.975 5.212 3.169 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.364 4.983 2.608 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.696 4.283 4.332 1.00 0.27 C ATOM 0 H VAL A 9 -2.610 5.924 3.449 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.905 4.001 1.741 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.932 6.239 3.533 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.102 5.114 3.399 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.557 5.700 1.810 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.434 3.970 2.211 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.461 4.418 5.097 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.709 3.250 3.984 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.717 4.511 4.753 1.00 0.27 H new ATOM 147 N VAL A 10 -4.256 7.243 1.222 1.00 0.23 N ATOM 148 CA VAL A 10 -4.666 8.276 0.282 1.00 0.25 C ATOM 149 C VAL A 10 -3.905 8.209 -1.036 1.00 0.25 C ATOM 150 O VAL A 10 -4.518 8.147 -2.102 1.00 0.27 O ATOM 151 CB VAL A 10 -4.467 9.654 0.914 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.960 10.749 -0.002 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.178 9.699 2.246 1.00 0.32 C ATOM 0 H VAL A 10 -3.986 7.605 2.137 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.719 8.105 0.058 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.402 9.822 1.073 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.806 11.718 0.473 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.408 10.714 -0.941 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.022 10.607 -0.200 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.038 10.680 2.700 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.242 9.516 2.097 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.767 8.933 2.904 1.00 0.32 H new ATOM 163 N ASP A 11 -2.582 8.227 -0.956 1.00 0.26 N ATOM 164 CA ASP A 11 -1.738 8.173 -2.147 1.00 0.28 C ATOM 165 C ASP A 11 -2.050 6.926 -2.959 1.00 0.31 C ATOM 166 O ASP A 11 -2.060 6.954 -4.192 1.00 0.35 O ATOM 167 CB ASP A 11 -0.257 8.181 -1.758 1.00 0.32 C ATOM 168 CG ASP A 11 0.664 8.101 -2.962 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.903 9.141 -3.610 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.150 6.994 -3.271 1.00 0.49 O ATOM 0 H ASP A 11 -2.066 8.279 -0.077 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.947 9.054 -2.753 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.038 9.090 -1.197 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.055 7.340 -1.094 1.00 0.32 H new ATOM 175 N PHE A 12 -2.340 5.841 -2.255 1.00 0.32 N ATOM 176 CA PHE A 12 -2.672 4.590 -2.901 1.00 0.38 C ATOM 177 C PHE A 12 -3.991 4.725 -3.650 1.00 0.34 C ATOM 178 O PHE A 12 -4.051 4.456 -4.848 1.00 0.39 O ATOM 179 CB PHE A 12 -2.754 3.452 -1.884 1.00 0.46 C ATOM 180 CG PHE A 12 -2.133 2.174 -2.372 1.00 0.76 C ATOM 181 CD1 PHE A 12 -2.576 1.579 -3.542 1.00 0.98 C ATOM 182 CD2 PHE A 12 -1.119 1.560 -1.655 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.019 0.398 -3.987 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.558 0.378 -2.096 1.00 1.61 C ATOM 185 CZ PHE A 12 -0.963 -0.174 -3.284 1.00 1.61 C ATOM 0 H PHE A 12 -2.351 5.807 -1.236 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.881 4.351 -3.612 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -2.259 3.760 -0.963 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.800 3.269 -1.637 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -3.366 2.045 -4.112 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.763 2.011 -0.741 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -2.401 -0.080 -4.877 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.201 -0.112 -1.504 1.00 1.61 H new ATOM 0 HZ PHE A 12 -0.464 -1.050 -3.673 1.00 1.61 H new ATOM 195 N LEU A 13 -5.044 5.174 -2.957 1.00 0.28 N ATOM 196 CA LEU A 13 -6.349 5.338 -3.593 1.00 0.28 C ATOM 197 C LEU A 13 -6.271 6.342 -4.742 1.00 0.30 C ATOM 198 O LEU A 13 -6.878 6.142 -5.793 1.00 0.34 O ATOM 199 CB LEU A 13 -7.428 5.764 -2.584 1.00 0.25 C ATOM 200 CG LEU A 13 -8.026 4.624 -1.747 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.125 4.245 -0.597 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.410 4.985 -1.239 1.00 0.27 C ATOM 0 H LEU A 13 -5.016 5.426 -1.969 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.636 4.366 -3.995 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.999 6.503 -1.908 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.235 6.258 -3.126 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.115 3.758 -2.402 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.582 3.435 -0.028 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.160 3.917 -0.984 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.981 5.109 0.052 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.808 4.159 -0.650 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.348 5.878 -0.617 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.069 5.178 -2.085 1.00 0.27 H new ATOM 214 N SER A 14 -5.492 7.398 -4.544 1.00 0.29 N ATOM 215 CA SER A 14 -5.288 8.411 -5.572 1.00 0.33 C ATOM 216 C SER A 14 -4.660 7.795 -6.818 1.00 0.37 C ATOM 217 O SER A 14 -4.987 8.167 -7.949 1.00 0.42 O ATOM 218 CB SER A 14 -4.399 9.536 -5.034 1.00 0.33 C ATOM 219 OG SER A 14 -4.285 10.599 -5.968 1.00 1.05 O ATOM 0 H SER A 14 -4.988 7.576 -3.675 1.00 0.29 H new ATOM 0 HA SER A 14 -6.258 8.826 -5.845 1.00 0.33 H new ATOM 0 HB2 SER A 14 -4.814 9.914 -4.100 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.409 9.142 -4.807 1.00 0.33 H new ATOM 0 HG SER A 14 -4.725 11.398 -5.610 1.00 1.05 H new ATOM 225 N TYR A 15 -3.763 6.846 -6.606 1.00 0.37 N ATOM 226 CA TYR A 15 -3.106 6.160 -7.703 1.00 0.45 C ATOM 227 C TYR A 15 -4.049 5.124 -8.321 1.00 0.43 C ATOM 228 O TYR A 15 -3.909 4.760 -9.487 1.00 0.55 O ATOM 229 CB TYR A 15 -1.823 5.492 -7.198 1.00 0.52 C ATOM 230 CG TYR A 15 -0.867 5.076 -8.293 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.289 6.017 -9.137 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.554 3.738 -8.492 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.575 5.634 -10.145 1.00 0.89 C ATOM 234 CE2 TYR A 15 0.307 3.349 -9.498 1.00 1.06 C ATOM 235 CZ TYR A 15 0.910 4.324 -10.295 1.00 1.03 C ATOM 236 OH TYR A 15 1.729 3.911 -11.324 1.00 1.22 O ATOM 0 H TYR A 15 -3.473 6.533 -5.679 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.844 6.884 -8.475 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.310 6.179 -6.525 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.091 4.613 -6.612 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.519 7.064 -9.003 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -0.992 2.989 -7.849 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.985 6.376 -10.815 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.512 2.302 -9.667 1.00 1.06 H new ATOM 0 HH TYR A 15 1.858 2.941 -11.270 1.00 1.22 H new ATOM 246 N LYS A 16 -5.022 4.670 -7.535 1.00 0.33 N ATOM 247 CA LYS A 16 -5.958 3.648 -7.991 1.00 0.33 C ATOM 248 C LYS A 16 -7.077 4.246 -8.829 1.00 0.33 C ATOM 249 O LYS A 16 -7.474 3.661 -9.822 1.00 0.42 O ATOM 250 CB LYS A 16 -6.545 2.864 -6.816 1.00 0.34 C ATOM 251 CG LYS A 16 -5.517 2.169 -5.924 1.00 0.61 C ATOM 252 CD LYS A 16 -4.698 1.105 -6.649 1.00 0.57 C ATOM 253 CE LYS A 16 -3.558 1.704 -7.462 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.528 0.700 -7.810 1.00 1.41 N ATOM 0 H LYS A 16 -5.182 4.994 -6.581 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.392 2.960 -8.618 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.134 3.546 -6.202 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.231 2.113 -7.207 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.841 2.918 -5.512 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.032 1.707 -5.082 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.292 0.404 -5.920 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.351 0.535 -7.310 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -3.958 2.143 -8.376 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.097 2.513 -6.896 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -1.845 1.119 -8.473 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.032 0.398 -6.947 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -2.982 -0.123 -8.254 1.00 1.41 H new ATOM 268 N LEU A 17 -7.592 5.405 -8.451 1.00 0.33 N ATOM 269 CA LEU A 17 -8.613 6.053 -9.274 1.00 0.32 C ATOM 270 C LEU A 17 -8.046 6.388 -10.648 1.00 0.35 C ATOM 271 O LEU A 17 -8.764 6.405 -11.649 1.00 0.36 O ATOM 272 CB LEU A 17 -9.169 7.317 -8.617 1.00 0.35 C ATOM 273 CG LEU A 17 -10.266 7.097 -7.571 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.817 5.682 -7.629 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.743 7.423 -6.192 1.00 1.15 C ATOM 0 H LEU A 17 -7.332 5.909 -7.603 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.438 5.348 -9.380 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.345 7.851 -8.145 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.563 7.967 -9.398 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.092 7.772 -7.797 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.593 5.562 -6.873 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.240 5.497 -8.616 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.013 4.971 -7.440 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.531 7.263 -5.457 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.896 6.777 -5.962 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.424 8.465 -6.161 1.00 1.15 H new ATOM 287 N SER A 18 -6.745 6.598 -10.690 1.00 0.41 N ATOM 288 CA SER A 18 -6.069 6.978 -11.915 1.00 0.48 C ATOM 289 C SER A 18 -5.925 5.782 -12.868 1.00 0.51 C ATOM 290 O SER A 18 -5.629 5.965 -14.048 1.00 0.58 O ATOM 291 CB SER A 18 -4.696 7.565 -11.571 1.00 0.57 C ATOM 292 OG SER A 18 -4.166 8.329 -12.641 1.00 0.94 O ATOM 0 H SER A 18 -6.130 6.511 -9.881 1.00 0.41 H new ATOM 0 HA SER A 18 -6.668 7.730 -12.429 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.781 8.193 -10.684 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.007 6.757 -11.325 1.00 0.57 H new ATOM 0 HG SER A 18 -4.376 7.890 -13.492 1.00 0.94 H new ATOM 298 N GLN A 19 -6.150 4.560 -12.369 1.00 0.52 N ATOM 299 CA GLN A 19 -5.975 3.369 -13.199 1.00 0.57 C ATOM 300 C GLN A 19 -7.181 3.117 -14.090 1.00 0.51 C ATOM 301 O GLN A 19 -7.160 2.255 -14.969 1.00 0.59 O ATOM 302 CB GLN A 19 -5.680 2.128 -12.357 1.00 0.68 C ATOM 303 CG GLN A 19 -6.870 1.578 -11.619 1.00 0.84 C ATOM 304 CD GLN A 19 -6.619 0.202 -11.040 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.870 -0.592 -11.602 1.00 1.37 O ATOM 306 NE2 GLN A 19 -7.240 -0.085 -9.910 1.00 1.19 N ATOM 0 H GLN A 19 -6.448 4.375 -11.411 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.113 3.564 -13.837 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.280 1.350 -13.007 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.901 2.371 -11.635 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -7.140 2.262 -10.814 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.722 1.532 -12.297 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.854 0.604 -9.476 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -7.105 -0.996 -9.471 1.00 1.19 H new ATOM 315 N LYS A 20 -8.231 3.864 -13.841 1.00 0.45 N ATOM 316 CA LYS A 20 -9.454 3.759 -14.624 1.00 0.49 C ATOM 317 C LYS A 20 -9.753 5.081 -15.274 1.00 0.48 C ATOM 318 O LYS A 20 -10.500 5.176 -16.246 1.00 0.53 O ATOM 319 CB LYS A 20 -10.617 3.358 -13.750 1.00 0.57 C ATOM 320 CG LYS A 20 -10.205 2.751 -12.432 1.00 0.49 C ATOM 321 CD LYS A 20 -10.139 3.805 -11.389 1.00 1.20 C ATOM 322 CE LYS A 20 -11.430 4.598 -11.403 1.00 1.75 C ATOM 323 NZ LYS A 20 -12.643 3.739 -11.265 1.00 2.20 N ATOM 0 H LYS A 20 -8.269 4.560 -13.096 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.310 2.994 -15.387 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.235 4.235 -13.558 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.237 2.643 -14.291 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -10.918 1.980 -12.138 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -9.234 2.266 -12.533 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.985 3.355 -10.408 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.291 4.464 -11.574 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.412 5.325 -10.591 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.494 5.161 -12.334 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -13.495 4.312 -11.433 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -12.602 2.966 -11.960 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -12.678 3.340 -10.305 1.00 2.20 H new ATOM 337 N GLY A 21 -9.161 6.095 -14.705 1.00 0.45 N ATOM 338 CA GLY A 21 -9.260 7.423 -15.259 1.00 0.49 C ATOM 339 C GLY A 21 -10.217 8.304 -14.497 1.00 0.47 C ATOM 340 O GLY A 21 -10.857 9.186 -15.067 1.00 0.53 O ATOM 0 H GLY A 21 -8.602 6.029 -13.854 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.273 7.885 -15.263 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.584 7.355 -16.298 1.00 0.49 H new ATOM 344 N TYR A 22 -10.334 8.042 -13.207 1.00 0.40 N ATOM 345 CA TYR A 22 -11.027 8.956 -12.303 1.00 0.37 C ATOM 346 C TYR A 22 -10.045 9.639 -11.364 1.00 0.36 C ATOM 347 O TYR A 22 -8.875 9.264 -11.297 1.00 0.38 O ATOM 348 CB TYR A 22 -12.095 8.236 -11.488 1.00 0.34 C ATOM 349 CG TYR A 22 -13.413 8.105 -12.217 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.587 7.173 -13.231 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.481 8.930 -11.894 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.793 7.067 -13.901 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.687 8.829 -12.557 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.838 7.897 -13.559 1.00 0.62 C ATOM 355 OH TYR A 22 -17.041 7.795 -14.218 1.00 0.76 O ATOM 0 H TYR A 22 -9.960 7.206 -12.758 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.514 9.709 -12.922 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.733 7.242 -11.224 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.256 8.775 -10.554 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.769 6.521 -13.501 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.366 9.664 -11.110 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.914 6.337 -14.688 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.508 9.478 -12.291 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.737 7.516 -13.587 1.00 0.76 H new ATOM 365 N SER A 23 -10.524 10.641 -10.645 1.00 0.37 N ATOM 366 CA SER A 23 -9.696 11.355 -9.696 1.00 0.39 C ATOM 367 C SER A 23 -10.043 10.961 -8.274 1.00 0.35 C ATOM 368 O SER A 23 -11.182 10.603 -7.972 1.00 0.34 O ATOM 369 CB SER A 23 -9.891 12.856 -9.854 1.00 0.45 C ATOM 370 OG SER A 23 -8.942 13.585 -9.090 1.00 0.52 O ATOM 0 H SER A 23 -11.485 10.977 -10.703 1.00 0.37 H new ATOM 0 HA SER A 23 -8.657 11.094 -9.896 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.800 13.128 -10.906 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.899 13.128 -9.541 1.00 0.45 H new ATOM 0 HG SER A 23 -9.092 14.546 -9.213 1.00 0.52 H new ATOM 376 N TRP A 24 -9.049 11.027 -7.412 1.00 0.37 N ATOM 377 CA TRP A 24 -9.254 10.830 -5.992 1.00 0.36 C ATOM 378 C TRP A 24 -9.773 12.111 -5.358 1.00 0.35 C ATOM 379 O TRP A 24 -10.718 12.087 -4.573 1.00 0.34 O ATOM 380 CB TRP A 24 -7.946 10.375 -5.325 1.00 0.45 C ATOM 381 CG TRP A 24 -7.686 10.985 -3.978 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.196 10.582 -2.779 1.00 0.96 C ATOM 383 CD2 TRP A 24 -6.842 12.109 -3.698 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.736 11.399 -1.774 1.00 0.61 N ATOM 385 CE2 TRP A 24 -6.900 12.342 -2.315 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.045 12.945 -4.489 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.194 13.374 -1.701 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.343 13.968 -3.879 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.422 14.174 -2.497 1.00 3.13 C ATOM 0 H TRP A 24 -8.082 11.218 -7.674 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.999 10.049 -5.844 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.965 9.290 -5.220 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.113 10.617 -5.986 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -8.863 9.744 -2.640 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.977 11.317 -0.786 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -5.980 12.794 -5.556 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.254 13.536 -0.635 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -4.724 14.619 -4.479 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -4.862 14.982 -2.050 1.00 3.13 H new ATOM 400 N SER A 25 -9.173 13.232 -5.738 1.00 0.39 N ATOM 401 CA SER A 25 -9.450 14.503 -5.094 1.00 0.44 C ATOM 402 C SER A 25 -10.839 15.017 -5.445 1.00 0.43 C ATOM 403 O SER A 25 -11.424 15.802 -4.699 1.00 0.49 O ATOM 404 CB SER A 25 -8.378 15.523 -5.473 1.00 0.53 C ATOM 405 OG SER A 25 -8.101 15.476 -6.862 1.00 1.37 O ATOM 0 H SER A 25 -8.489 13.283 -6.493 1.00 0.39 H new ATOM 0 HA SER A 25 -9.427 14.351 -4.015 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.710 16.524 -5.198 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.466 15.324 -4.910 1.00 0.53 H new ATOM 0 HG SER A 25 -7.413 16.139 -7.081 1.00 1.37 H new ATOM 411 N GLN A 26 -11.377 14.570 -6.574 1.00 0.40 N ATOM 412 CA GLN A 26 -12.740 14.921 -6.941 1.00 0.42 C ATOM 413 C GLN A 26 -13.743 14.327 -5.952 1.00 0.38 C ATOM 414 O GLN A 26 -14.837 14.858 -5.766 1.00 0.41 O ATOM 415 CB GLN A 26 -13.066 14.445 -8.354 1.00 0.47 C ATOM 416 CG GLN A 26 -12.434 15.292 -9.429 1.00 0.59 C ATOM 417 CD GLN A 26 -13.020 15.012 -10.796 1.00 0.73 C ATOM 418 OE1 GLN A 26 -14.196 14.665 -10.921 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.212 15.157 -11.824 1.00 1.10 N ATOM 0 H GLN A 26 -10.895 13.970 -7.243 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.818 16.008 -6.910 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.731 13.414 -8.469 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.148 14.445 -8.490 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.570 16.346 -9.186 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.360 15.106 -9.451 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -11.245 15.446 -11.676 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.552 14.980 -12.769 1.00 1.10 H new ATOM 428 N PHE A 27 -13.362 13.217 -5.331 1.00 0.35 N ATOM 429 CA PHE A 27 -14.260 12.488 -4.452 1.00 0.38 C ATOM 430 C PHE A 27 -13.692 12.340 -3.038 1.00 0.43 C ATOM 431 O PHE A 27 -14.166 11.511 -2.264 1.00 0.67 O ATOM 432 CB PHE A 27 -14.517 11.105 -5.046 1.00 0.43 C ATOM 433 CG PHE A 27 -15.034 11.145 -6.456 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.254 11.735 -6.747 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.295 10.600 -7.493 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.726 11.777 -8.044 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.762 10.641 -8.792 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.980 11.229 -9.067 1.00 1.28 C ATOM 0 H PHE A 27 -12.434 12.803 -5.422 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.188 13.054 -4.372 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.591 10.531 -5.023 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.235 10.577 -4.419 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.842 12.167 -5.951 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.342 10.137 -7.283 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.679 12.239 -8.257 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.175 10.214 -9.591 1.00 1.20 H new ATOM 0 HZ PHE A 27 -16.349 11.260 -10.082 1.00 1.28 H new ATOM 448 N SER A 28 -12.689 13.134 -2.694 1.00 0.39 N ATOM 449 CA SER A 28 -11.997 12.944 -1.423 1.00 0.42 C ATOM 450 C SER A 28 -12.450 13.923 -0.351 1.00 0.58 C ATOM 451 O SER A 28 -13.348 14.737 -0.562 1.00 1.01 O ATOM 452 CB SER A 28 -10.484 13.042 -1.610 1.00 0.62 C ATOM 453 OG SER A 28 -10.082 14.345 -2.010 1.00 1.81 O ATOM 0 H SER A 28 -12.339 13.904 -3.264 1.00 0.39 H new ATOM 0 HA SER A 28 -12.258 11.943 -1.079 1.00 0.42 H new ATOM 0 HB2 SER A 28 -9.985 12.779 -0.677 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.163 12.317 -2.358 1.00 0.62 H new ATOM 0 HG SER A 28 -10.854 14.949 -1.981 1.00 1.81 H new ATOM 459 N ASP A 29 -11.827 13.786 0.813 1.00 0.63 N ATOM 460 CA ASP A 29 -12.085 14.636 1.970 1.00 0.84 C ATOM 461 C ASP A 29 -11.016 14.399 3.035 1.00 0.88 C ATOM 462 O ASP A 29 -10.706 15.287 3.829 1.00 1.03 O ATOM 463 CB ASP A 29 -13.473 14.342 2.542 1.00 1.04 C ATOM 464 CG ASP A 29 -13.615 14.774 3.992 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.692 15.993 4.253 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.661 13.901 4.877 1.00 2.31 O ATOM 0 H ASP A 29 -11.119 13.072 0.983 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.051 15.680 1.658 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.225 14.853 1.940 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.674 13.274 2.464 1.00 1.04 H new ATOM 471 N VAL A 30 -10.417 13.211 2.974 1.00 0.80 N ATOM 472 CA VAL A 30 -9.495 12.705 3.993 1.00 0.82 C ATOM 473 C VAL A 30 -8.431 13.729 4.402 1.00 0.82 C ATOM 474 O VAL A 30 -8.465 14.247 5.511 1.00 0.92 O ATOM 475 CB VAL A 30 -8.831 11.396 3.497 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.839 10.262 3.529 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.288 11.552 2.080 1.00 0.76 C ATOM 0 H VAL A 30 -10.560 12.560 2.202 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.084 12.503 4.888 1.00 0.82 H new ATOM 0 HB VAL A 30 -7.997 11.170 4.162 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.366 9.345 3.179 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.195 10.120 4.549 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.681 10.506 2.881 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -7.828 10.616 1.761 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.104 11.804 1.403 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.543 12.347 2.061 1.00 0.76 H new ATOM 487 N GLU A 31 -7.487 14.008 3.523 1.00 0.78 N ATOM 488 CA GLU A 31 -6.490 15.036 3.776 1.00 0.83 C ATOM 489 C GLU A 31 -6.878 16.299 3.025 1.00 0.88 C ATOM 490 O GLU A 31 -6.168 17.304 3.039 1.00 0.98 O ATOM 491 CB GLU A 31 -5.087 14.561 3.383 1.00 0.93 C ATOM 492 CG GLU A 31 -4.964 14.053 1.954 1.00 1.05 C ATOM 493 CD GLU A 31 -3.532 13.700 1.594 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.079 12.596 1.965 1.00 2.74 O ATOM 495 OE2 GLU A 31 -2.857 14.519 0.932 1.00 2.46 O ATOM 0 H GLU A 31 -7.388 13.536 2.624 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.461 15.251 4.844 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.387 15.385 3.523 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.783 13.766 4.064 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -5.596 13.174 1.827 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.333 14.814 1.266 1.00 1.05 H new ATOM 502 N GLU A 32 -8.026 16.219 2.365 1.00 0.87 N ATOM 503 CA GLU A 32 -8.538 17.305 1.555 1.00 0.98 C ATOM 504 C GLU A 32 -9.001 18.467 2.424 1.00 1.09 C ATOM 505 O GLU A 32 -8.505 19.588 2.300 1.00 1.24 O ATOM 506 CB GLU A 32 -9.701 16.803 0.703 1.00 0.98 C ATOM 507 CG GLU A 32 -10.435 17.908 -0.035 1.00 1.12 C ATOM 508 CD GLU A 32 -11.604 17.394 -0.840 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.370 16.669 -1.827 1.00 1.45 O ATOM 510 OE2 GLU A 32 -12.761 17.709 -0.488 1.00 1.17 O ATOM 0 H GLU A 32 -8.626 15.395 2.380 1.00 0.87 H new ATOM 0 HA GLU A 32 -7.735 17.661 0.910 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.324 16.081 -0.022 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.407 16.273 1.343 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -10.791 18.646 0.684 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.739 18.420 -0.699 1.00 1.12 H new ATOM 517 N ASN A 33 -9.952 18.191 3.303 1.00 1.09 N ATOM 518 CA ASN A 33 -10.578 19.231 4.099 1.00 1.27 C ATOM 519 C ASN A 33 -9.894 19.372 5.446 1.00 1.32 C ATOM 520 O ASN A 33 -9.677 20.483 5.927 1.00 1.68 O ATOM 521 CB ASN A 33 -12.063 18.928 4.287 1.00 1.36 C ATOM 522 CG ASN A 33 -12.830 18.986 2.982 1.00 1.48 C ATOM 523 OD1 ASN A 33 -12.970 17.847 2.329 1.00 1.87 O flip ATOM 524 ND2 ASN A 33 -13.310 20.042 2.575 1.00 1.35 N flip ATOM 0 H ASN A 33 -10.307 17.252 3.482 1.00 1.09 H new ATOM 0 HA ASN A 33 -10.474 20.177 3.567 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.177 17.938 4.729 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -12.491 19.642 4.990 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -13.179 20.901 3.109 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.839 20.059 1.703 1.00 1.35 H new ATOM 531 N ARG A 34 -9.557 18.250 6.061 1.00 1.22 N ATOM 532 CA ARG A 34 -8.851 18.282 7.328 1.00 1.29 C ATOM 533 C ARG A 34 -7.363 18.119 7.082 1.00 1.17 C ATOM 534 O ARG A 34 -6.950 17.505 6.097 1.00 1.24 O ATOM 535 CB ARG A 34 -9.357 17.189 8.273 1.00 1.50 C ATOM 536 CG ARG A 34 -8.717 15.828 8.049 1.00 1.52 C ATOM 537 CD ARG A 34 -9.524 14.711 8.688 1.00 1.91 C ATOM 538 NE ARG A 34 -10.733 14.415 7.924 1.00 2.18 N ATOM 539 CZ ARG A 34 -11.451 13.305 8.064 1.00 2.65 C ATOM 540 NH1 ARG A 34 -11.128 12.409 8.990 1.00 2.89 N ATOM 541 NH2 ARG A 34 -12.498 13.092 7.277 1.00 3.39 N ATOM 0 H ARG A 34 -9.759 17.315 5.707 1.00 1.22 H new ATOM 0 HA ARG A 34 -9.038 19.244 7.805 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -9.174 17.500 9.302 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.437 17.094 8.156 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -8.624 15.642 6.979 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -7.708 15.829 8.461 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -8.910 13.813 8.760 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -9.796 14.994 9.705 1.00 1.91 H new ATOM 0 HE ARG A 34 -11.046 15.103 7.240 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -10.325 12.571 9.598 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -11.683 11.559 9.093 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -12.750 13.779 6.567 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -13.051 12.241 7.382 1.00 3.39 H new ATOM 555 N THR A 35 -6.567 18.667 7.969 1.00 1.31 N ATOM 556 CA THR A 35 -5.129 18.588 7.839 1.00 1.39 C ATOM 557 C THR A 35 -4.494 18.080 9.119 1.00 1.34 C ATOM 558 O THR A 35 -4.385 18.796 10.115 1.00 1.55 O ATOM 559 CB THR A 35 -4.510 19.939 7.468 1.00 1.82 C ATOM 560 OG1 THR A 35 -5.039 20.984 8.301 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.753 20.270 6.005 1.00 2.25 C ATOM 0 H THR A 35 -6.891 19.175 8.792 1.00 1.31 H new ATOM 0 HA THR A 35 -4.928 17.885 7.031 1.00 1.39 H new ATOM 0 HB THR A 35 -3.435 19.866 7.631 1.00 1.82 H new ATOM 0 HG1 THR A 35 -5.011 20.701 9.239 1.00 2.05 H new ATOM 0 HG21 THR A 35 -4.302 21.234 5.770 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.306 19.498 5.378 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.825 20.315 5.815 1.00 2.25 H new ATOM 569 N GLU A 36 -4.092 16.831 9.079 1.00 1.44 N ATOM 570 CA GLU A 36 -3.490 16.182 10.226 1.00 1.68 C ATOM 571 C GLU A 36 -1.993 16.066 9.997 1.00 1.43 C ATOM 572 O GLU A 36 -1.204 16.828 10.554 1.00 1.46 O ATOM 573 CB GLU A 36 -4.109 14.798 10.429 1.00 2.17 C ATOM 574 CG GLU A 36 -5.627 14.820 10.514 1.00 2.49 C ATOM 575 CD GLU A 36 -6.142 15.538 11.744 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.183 16.789 11.730 1.00 3.34 O ATOM 577 OE2 GLU A 36 -6.493 14.864 12.732 1.00 3.30 O ATOM 0 H GLU A 36 -4.172 16.236 8.255 1.00 1.44 H new ATOM 0 HA GLU A 36 -3.673 16.773 11.123 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -3.808 14.150 9.606 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -3.708 14.360 11.343 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -6.028 15.304 9.623 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -6.000 13.796 10.516 1.00 2.49 H new ATOM 584 N ALA A 37 -1.620 15.124 9.149 1.00 1.50 N ATOM 585 CA ALA A 37 -0.242 14.975 8.724 1.00 1.39 C ATOM 586 C ALA A 37 -0.062 15.591 7.344 1.00 1.27 C ATOM 587 O ALA A 37 -1.031 15.705 6.588 1.00 1.58 O ATOM 588 CB ALA A 37 0.153 13.506 8.707 1.00 1.92 C ATOM 0 H ALA A 37 -2.261 14.445 8.738 1.00 1.50 H new ATOM 0 HA ALA A 37 0.406 15.493 9.431 1.00 1.39 H new ATOM 0 HB1 ALA A 37 1.190 13.412 8.386 1.00 1.92 H new ATOM 0 HB2 ALA A 37 0.044 13.088 9.708 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -0.492 12.964 8.015 1.00 1.92 H new ATOM 594 N PRO A 38 1.162 16.030 7.017 1.00 1.10 N ATOM 595 CA PRO A 38 1.499 16.524 5.676 1.00 1.43 C ATOM 596 C PRO A 38 1.126 15.532 4.574 1.00 1.79 C ATOM 597 O PRO A 38 0.911 14.348 4.833 1.00 1.87 O ATOM 598 CB PRO A 38 3.020 16.701 5.736 1.00 1.34 C ATOM 599 CG PRO A 38 3.320 16.911 7.175 1.00 1.26 C ATOM 600 CD PRO A 38 2.308 16.112 7.940 1.00 1.01 C ATOM 0 HA PRO A 38 0.954 17.436 5.433 1.00 1.43 H new ATOM 0 HB2 PRO A 38 3.536 15.823 5.348 1.00 1.34 H new ATOM 0 HB3 PRO A 38 3.343 17.552 5.136 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.332 16.584 7.412 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.257 17.968 7.435 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.688 15.123 8.196 1.00 1.01 H new ATOM 0 HD3 PRO A 38 2.035 16.601 8.875 1.00 1.01 H new ATOM 608 N GLU A 39 1.054 16.020 3.344 1.00 2.28 N ATOM 609 CA GLU A 39 0.730 15.175 2.202 1.00 2.76 C ATOM 610 C GLU A 39 1.933 14.335 1.783 1.00 2.66 C ATOM 611 O GLU A 39 1.866 13.570 0.821 1.00 3.08 O ATOM 612 CB GLU A 39 0.233 16.024 1.029 1.00 3.38 C ATOM 613 CG GLU A 39 1.179 17.146 0.635 1.00 3.52 C ATOM 614 CD GLU A 39 0.622 18.012 -0.474 1.00 4.22 C ATOM 615 OE1 GLU A 39 -0.321 18.789 -0.211 1.00 4.44 O ATOM 616 OE2 GLU A 39 1.113 17.912 -1.619 1.00 4.64 O ATOM 0 H GLU A 39 1.216 17.000 3.110 1.00 2.28 H new ATOM 0 HA GLU A 39 -0.068 14.496 2.501 1.00 2.76 H new ATOM 0 HB2 GLU A 39 0.074 15.377 0.167 1.00 3.38 H new ATOM 0 HB3 GLU A 39 -0.735 16.453 1.288 1.00 3.38 H new ATOM 0 HG2 GLU A 39 1.385 17.766 1.507 1.00 3.52 H new ATOM 0 HG3 GLU A 39 2.130 16.720 0.316 1.00 3.52 H new ATOM 623 N GLY A 40 3.029 14.479 2.510 1.00 2.15 N ATOM 624 CA GLY A 40 4.215 13.701 2.232 1.00 2.04 C ATOM 625 C GLY A 40 5.347 14.041 3.169 1.00 1.57 C ATOM 626 O GLY A 40 6.363 14.597 2.749 1.00 1.75 O ATOM 0 H GLY A 40 3.118 15.126 3.293 1.00 2.15 H new ATOM 0 HA2 GLY A 40 3.981 12.640 2.317 1.00 2.04 H new ATOM 0 HA3 GLY A 40 4.531 13.876 1.204 1.00 2.04 H new ATOM 630 N THR A 41 5.181 13.718 4.443 1.00 1.12 N ATOM 631 CA THR A 41 6.198 14.051 5.422 1.00 0.86 C ATOM 632 C THR A 41 7.233 12.920 5.567 1.00 0.75 C ATOM 633 O THR A 41 8.344 13.028 5.046 1.00 0.85 O ATOM 634 CB THR A 41 5.541 14.387 6.782 1.00 0.80 C ATOM 635 OG1 THR A 41 6.521 14.440 7.824 1.00 0.95 O ATOM 636 CG2 THR A 41 4.451 13.387 7.137 1.00 0.91 C ATOM 0 H THR A 41 4.365 13.234 4.816 1.00 1.12 H new ATOM 0 HA THR A 41 6.734 14.933 5.070 1.00 0.86 H new ATOM 0 HB THR A 41 5.080 15.370 6.685 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.083 14.656 8.674 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.011 13.654 8.098 1.00 0.91 H new ATOM 0 HG22 THR A 41 3.679 13.402 6.368 1.00 0.91 H new ATOM 0 HG23 THR A 41 4.881 12.387 7.200 1.00 0.91 H new ATOM 644 N GLU A 42 6.873 11.837 6.252 1.00 0.69 N ATOM 645 CA GLU A 42 7.755 10.680 6.369 1.00 0.66 C ATOM 646 C GLU A 42 7.428 9.660 5.305 1.00 0.54 C ATOM 647 O GLU A 42 8.277 8.898 4.846 1.00 0.56 O ATOM 648 CB GLU A 42 7.616 10.018 7.737 1.00 0.74 C ATOM 649 CG GLU A 42 6.378 9.137 7.911 1.00 0.65 C ATOM 650 CD GLU A 42 6.334 8.511 9.289 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.201 7.659 9.592 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.453 8.892 10.088 1.00 1.17 O ATOM 0 H GLU A 42 5.979 11.737 6.733 1.00 0.69 H new ATOM 0 HA GLU A 42 8.778 11.035 6.244 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.503 9.411 7.921 1.00 0.74 H new ATOM 0 HB3 GLU A 42 7.598 10.797 8.500 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.480 9.734 7.752 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.378 8.353 7.154 1.00 0.65 H new ATOM 659 N SER A 43 6.168 9.652 4.953 1.00 0.48 N ATOM 660 CA SER A 43 5.591 8.592 4.172 1.00 0.43 C ATOM 661 C SER A 43 5.950 8.631 2.710 1.00 0.43 C ATOM 662 O SER A 43 5.773 7.638 2.036 1.00 0.49 O ATOM 663 CB SER A 43 4.093 8.626 4.301 1.00 0.50 C ATOM 664 OG SER A 43 3.690 8.256 5.601 1.00 1.25 O ATOM 0 H SER A 43 5.509 10.389 5.204 1.00 0.48 H new ATOM 0 HA SER A 43 6.009 7.669 4.573 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.727 9.627 4.074 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.646 7.951 3.572 1.00 0.50 H new ATOM 0 HG SER A 43 2.730 8.425 5.707 1.00 1.25 H new ATOM 670 N GLU A 44 6.420 9.758 2.213 1.00 0.46 N ATOM 671 CA GLU A 44 6.733 9.880 0.788 1.00 0.52 C ATOM 672 C GLU A 44 7.519 8.662 0.289 1.00 0.51 C ATOM 673 O GLU A 44 7.173 8.077 -0.733 1.00 0.58 O ATOM 674 CB GLU A 44 7.506 11.165 0.505 1.00 0.61 C ATOM 675 CG GLU A 44 7.842 11.353 -0.962 1.00 0.72 C ATOM 676 CD GLU A 44 8.559 12.654 -1.233 1.00 1.17 C ATOM 677 OE1 GLU A 44 7.878 13.677 -1.445 1.00 1.29 O ATOM 678 OE2 GLU A 44 9.809 12.661 -1.238 1.00 1.91 O ATOM 0 H GLU A 44 6.595 10.600 2.762 1.00 0.46 H new ATOM 0 HA GLU A 44 5.788 9.922 0.246 1.00 0.52 H new ATOM 0 HB2 GLU A 44 6.919 12.017 0.848 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.429 11.160 1.084 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.464 10.523 -1.297 1.00 0.72 H new ATOM 0 HG3 GLU A 44 6.924 11.320 -1.548 1.00 0.72 H new ATOM 685 N ALA A 45 8.543 8.266 1.032 1.00 0.48 N ATOM 686 CA ALA A 45 9.313 7.066 0.705 1.00 0.48 C ATOM 687 C ALA A 45 8.506 5.790 0.954 1.00 0.41 C ATOM 688 O ALA A 45 8.474 4.898 0.106 1.00 0.41 O ATOM 689 CB ALA A 45 10.604 7.039 1.505 1.00 0.52 C ATOM 0 H ALA A 45 8.863 8.756 1.867 1.00 0.48 H new ATOM 0 HA ALA A 45 9.550 7.102 -0.358 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.169 6.141 1.254 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.198 7.921 1.266 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.372 7.035 2.570 1.00 0.52 H new ATOM 695 N VAL A 46 7.841 5.709 2.105 1.00 0.37 N ATOM 696 CA VAL A 46 7.111 4.496 2.482 1.00 0.34 C ATOM 697 C VAL A 46 5.910 4.259 1.559 1.00 0.34 C ATOM 698 O VAL A 46 5.590 3.122 1.217 1.00 0.39 O ATOM 699 CB VAL A 46 6.661 4.515 3.977 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.230 5.699 4.726 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.160 4.520 4.130 1.00 1.13 C ATOM 0 H VAL A 46 7.791 6.463 2.790 1.00 0.37 H new ATOM 0 HA VAL A 46 7.806 3.665 2.363 1.00 0.34 H new ATOM 0 HB VAL A 46 7.054 3.594 4.406 1.00 0.49 H new ATOM 0 HG11 VAL A 46 6.891 5.672 5.762 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.319 5.657 4.700 1.00 1.41 H new ATOM 0 HG13 VAL A 46 6.891 6.623 4.258 1.00 1.41 H new ATOM 0 HG21 VAL A 46 4.902 4.533 5.189 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.748 5.405 3.645 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.744 3.625 3.667 1.00 1.13 H new ATOM 711 N LYS A 47 5.275 5.341 1.135 1.00 0.34 N ATOM 712 CA LYS A 47 4.123 5.271 0.256 1.00 0.36 C ATOM 713 C LYS A 47 4.601 5.000 -1.167 1.00 0.39 C ATOM 714 O LYS A 47 3.929 4.325 -1.945 1.00 0.43 O ATOM 715 CB LYS A 47 3.323 6.579 0.335 1.00 0.38 C ATOM 716 CG LYS A 47 3.924 7.713 -0.473 1.00 0.49 C ATOM 717 CD LYS A 47 3.672 9.073 0.147 1.00 0.47 C ATOM 718 CE LYS A 47 2.233 9.259 0.547 1.00 0.47 C ATOM 719 NZ LYS A 47 1.861 10.699 0.626 1.00 0.67 N ATOM 0 H LYS A 47 5.545 6.290 1.392 1.00 0.34 H new ATOM 0 HA LYS A 47 3.464 4.459 0.565 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.307 6.395 -0.015 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.250 6.887 1.378 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.998 7.556 -0.568 1.00 0.49 H new ATOM 0 HG3 LYS A 47 3.508 7.695 -1.481 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.309 9.194 1.023 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.953 9.851 -0.562 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.588 8.756 -0.174 1.00 0.47 H new ATOM 0 HE3 LYS A 47 2.061 8.786 1.514 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 0.843 10.784 0.821 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.399 11.155 1.390 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.081 11.164 -0.278 1.00 0.67 H new ATOM 733 N GLN A 48 5.788 5.519 -1.488 1.00 0.40 N ATOM 734 CA GLN A 48 6.436 5.230 -2.757 1.00 0.46 C ATOM 735 C GLN A 48 6.817 3.767 -2.826 1.00 0.45 C ATOM 736 O GLN A 48 6.852 3.186 -3.897 1.00 0.50 O ATOM 737 CB GLN A 48 7.681 6.100 -2.960 1.00 0.52 C ATOM 738 CG GLN A 48 7.420 7.385 -3.724 1.00 0.58 C ATOM 739 CD GLN A 48 7.145 7.176 -5.205 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.667 6.000 -5.575 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 7.390 8.064 -6.020 1.00 0.63 N flip ATOM 0 H GLN A 48 6.317 6.144 -0.880 1.00 0.40 H new ATOM 0 HA GLN A 48 5.727 5.459 -3.553 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.101 6.348 -1.985 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.434 5.519 -3.493 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.569 7.897 -3.275 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.282 8.043 -3.614 1.00 0.58 H new ATOM 0 HE21 GLN A 48 7.758 8.961 -5.702 1.00 0.63 H new ATOM 0 HE22 GLN A 48 7.225 7.904 -7.014 1.00 0.63 H new ATOM 750 N ALA A 49 7.107 3.188 -1.674 1.00 0.42 N ATOM 751 CA ALA A 49 7.419 1.773 -1.582 1.00 0.41 C ATOM 752 C ALA A 49 6.156 0.927 -1.669 1.00 0.39 C ATOM 753 O ALA A 49 6.118 -0.095 -2.355 1.00 0.42 O ATOM 754 CB ALA A 49 8.139 1.488 -0.280 1.00 0.42 C ATOM 0 H ALA A 49 7.133 3.682 -0.782 1.00 0.42 H new ATOM 0 HA ALA A 49 8.065 1.511 -2.420 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.370 0.425 -0.217 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.064 2.063 -0.242 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.502 1.771 0.558 1.00 0.42 H new ATOM 760 N LEU A 50 5.119 1.373 -0.976 1.00 0.38 N ATOM 761 CA LEU A 50 3.893 0.599 -0.842 1.00 0.40 C ATOM 762 C LEU A 50 3.159 0.437 -2.166 1.00 0.41 C ATOM 763 O LEU A 50 2.427 -0.530 -2.352 1.00 0.43 O ATOM 764 CB LEU A 50 2.961 1.250 0.173 1.00 0.45 C ATOM 765 CG LEU A 50 2.357 0.280 1.181 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.402 -0.133 2.204 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.146 0.887 1.861 1.00 1.20 C ATOM 0 H LEU A 50 5.102 2.272 -0.495 1.00 0.38 H new ATOM 0 HA LEU A 50 4.186 -0.393 -0.498 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.512 2.021 0.713 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.153 1.750 -0.361 1.00 0.45 H new ATOM 0 HG LEU A 50 2.025 -0.610 0.646 1.00 0.69 H new ATOM 0 HD11 LEU A 50 2.958 -0.826 2.918 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.235 -0.619 1.697 1.00 1.33 H new ATOM 0 HD13 LEU A 50 3.764 0.750 2.732 1.00 1.33 H new ATOM 0 HD21 LEU A 50 0.734 0.174 2.575 1.00 1.20 H new ATOM 0 HD22 LEU A 50 1.441 1.796 2.385 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.391 1.128 1.113 1.00 1.20 H new ATOM 779 N ARG A 51 3.367 1.357 -3.098 1.00 0.44 N ATOM 780 CA ARG A 51 2.628 1.320 -4.351 1.00 0.50 C ATOM 781 C ARG A 51 3.283 0.323 -5.282 1.00 0.52 C ATOM 782 O ARG A 51 2.635 -0.294 -6.123 1.00 0.59 O ATOM 783 CB ARG A 51 2.587 2.703 -4.991 1.00 0.53 C ATOM 784 CG ARG A 51 3.931 3.399 -4.975 1.00 0.52 C ATOM 785 CD ARG A 51 3.933 4.628 -5.852 1.00 0.73 C ATOM 786 NE ARG A 51 2.866 5.568 -5.513 1.00 1.21 N ATOM 787 CZ ARG A 51 2.393 6.486 -6.351 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.842 6.547 -7.599 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.468 7.338 -5.940 1.00 2.17 N ATOM 0 H ARG A 51 4.031 2.127 -3.013 1.00 0.44 H new ATOM 0 HA ARG A 51 1.601 1.012 -4.155 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.243 2.611 -6.021 1.00 0.53 H new ATOM 0 HB3 ARG A 51 1.858 3.320 -4.466 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.183 3.681 -3.953 1.00 0.52 H new ATOM 0 HG3 ARG A 51 4.703 2.708 -5.314 1.00 0.52 H new ATOM 0 HD2 ARG A 51 4.896 5.131 -5.763 1.00 0.73 H new ATOM 0 HD3 ARG A 51 3.827 4.325 -6.894 1.00 0.73 H new ATOM 0 HE ARG A 51 2.460 5.517 -4.579 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.552 5.888 -7.918 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.477 7.253 -8.239 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.119 7.290 -4.983 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.103 8.043 -6.581 1.00 2.17 H new ATOM 803 N GLU A 52 4.578 0.164 -5.091 1.00 0.49 N ATOM 804 CA GLU A 52 5.368 -0.790 -5.837 1.00 0.54 C ATOM 805 C GLU A 52 5.066 -2.194 -5.339 1.00 0.53 C ATOM 806 O GLU A 52 4.784 -3.101 -6.122 1.00 0.58 O ATOM 807 CB GLU A 52 6.838 -0.456 -5.639 1.00 0.59 C ATOM 808 CG GLU A 52 7.112 1.033 -5.751 1.00 0.63 C ATOM 809 CD GLU A 52 7.045 1.539 -7.174 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.876 1.114 -8.000 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.157 2.364 -7.473 1.00 1.07 O ATOM 0 H GLU A 52 5.114 0.699 -4.408 1.00 0.49 H new ATOM 0 HA GLU A 52 5.126 -0.742 -6.899 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.160 -0.809 -4.659 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.432 -0.989 -6.381 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.389 1.577 -5.143 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.099 1.247 -5.341 1.00 0.63 H new ATOM 818 N ALA A 53 5.110 -2.355 -4.019 1.00 0.49 N ATOM 819 CA ALA A 53 4.732 -3.609 -3.385 1.00 0.48 C ATOM 820 C ALA A 53 3.278 -3.936 -3.698 1.00 0.49 C ATOM 821 O ALA A 53 2.923 -5.089 -3.942 1.00 0.53 O ATOM 822 CB ALA A 53 4.946 -3.525 -1.878 1.00 0.45 C ATOM 0 H ALA A 53 5.405 -1.628 -3.368 1.00 0.49 H new ATOM 0 HA ALA A 53 5.362 -4.406 -3.779 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.659 -4.470 -1.417 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.997 -3.324 -1.670 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.335 -2.721 -1.468 1.00 0.45 H new ATOM 828 N GLY A 54 2.443 -2.901 -3.695 1.00 0.49 N ATOM 829 CA GLY A 54 1.049 -3.060 -4.043 1.00 0.53 C ATOM 830 C GLY A 54 0.869 -3.499 -5.478 1.00 0.60 C ATOM 831 O GLY A 54 0.080 -4.394 -5.754 1.00 0.70 O ATOM 0 H GLY A 54 2.714 -1.948 -3.455 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.591 -3.794 -3.380 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.526 -2.117 -3.884 1.00 0.53 H new ATOM 835 N ASP A 55 1.620 -2.880 -6.387 1.00 0.61 N ATOM 836 CA ASP A 55 1.566 -3.233 -7.806 1.00 0.69 C ATOM 837 C ASP A 55 1.907 -4.700 -7.996 1.00 0.70 C ATOM 838 O ASP A 55 1.229 -5.411 -8.734 1.00 0.79 O ATOM 839 CB ASP A 55 2.532 -2.364 -8.618 1.00 0.73 C ATOM 840 CG ASP A 55 2.553 -2.730 -10.091 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.538 -2.496 -10.782 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.575 -3.270 -10.564 1.00 0.82 O ATOM 0 H ASP A 55 2.275 -2.130 -6.166 1.00 0.61 H new ATOM 0 HA ASP A 55 0.552 -3.053 -8.164 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.249 -1.317 -8.512 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.537 -2.465 -8.208 1.00 0.73 H new ATOM 847 N GLU A 56 2.944 -5.147 -7.292 1.00 0.66 N ATOM 848 CA GLU A 56 3.370 -6.545 -7.320 1.00 0.74 C ATOM 849 C GLU A 56 2.244 -7.479 -6.882 1.00 0.77 C ATOM 850 O GLU A 56 2.201 -8.645 -7.269 1.00 0.88 O ATOM 851 CB GLU A 56 4.590 -6.746 -6.419 1.00 0.79 C ATOM 852 CG GLU A 56 5.832 -6.007 -6.890 1.00 1.24 C ATOM 853 CD GLU A 56 6.282 -6.438 -8.271 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.436 -7.657 -8.500 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.462 -5.560 -9.143 1.00 2.29 O ATOM 0 H GLU A 56 3.512 -4.553 -6.688 1.00 0.66 H new ATOM 0 HA GLU A 56 3.636 -6.790 -8.348 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.343 -6.415 -5.410 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.814 -7.811 -6.359 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.632 -4.936 -6.896 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.641 -6.176 -6.180 1.00 1.24 H new ATOM 862 N PHE A 57 1.365 -6.968 -6.046 1.00 0.71 N ATOM 863 CA PHE A 57 0.198 -7.715 -5.597 1.00 0.75 C ATOM 864 C PHE A 57 -0.924 -7.649 -6.637 1.00 0.78 C ATOM 865 O PHE A 57 -1.545 -8.663 -6.964 1.00 0.91 O ATOM 866 CB PHE A 57 -0.289 -7.172 -4.247 1.00 0.76 C ATOM 867 CG PHE A 57 -1.580 -7.777 -3.767 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.609 -9.070 -3.266 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.762 -7.056 -3.821 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.792 -9.631 -2.827 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.949 -7.614 -3.382 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.967 -8.888 -2.880 1.00 2.20 C ATOM 0 H PHE A 57 1.434 -6.028 -5.657 1.00 0.71 H new ATOM 0 HA PHE A 57 0.484 -8.760 -5.473 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.483 -7.349 -3.498 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.415 -6.092 -4.327 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.696 -9.645 -3.219 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.756 -6.048 -4.210 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.805 -10.641 -2.445 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.864 -7.043 -3.435 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.893 -9.316 -2.525 1.00 2.20 H new ATOM 882 N GLU A 58 -1.156 -6.450 -7.164 1.00 0.73 N ATOM 883 CA GLU A 58 -2.292 -6.188 -8.044 1.00 0.82 C ATOM 884 C GLU A 58 -2.230 -7.014 -9.312 1.00 0.82 C ATOM 885 O GLU A 58 -3.098 -7.846 -9.553 1.00 0.89 O ATOM 886 CB GLU A 58 -2.346 -4.715 -8.422 1.00 0.86 C ATOM 887 CG GLU A 58 -2.439 -3.795 -7.231 1.00 0.91 C ATOM 888 CD GLU A 58 -2.391 -2.340 -7.620 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.450 -1.781 -7.972 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.301 -1.732 -7.561 1.00 1.24 O ATOM 0 H GLU A 58 -0.565 -5.636 -6.995 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.189 -6.467 -7.491 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.456 -4.462 -8.998 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.205 -4.545 -9.071 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.367 -3.994 -6.694 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.621 -4.011 -6.544 1.00 0.91 H new ATOM 897 N LEU A 59 -1.194 -6.778 -10.113 1.00 0.81 N ATOM 898 CA LEU A 59 -1.069 -7.398 -11.432 1.00 0.87 C ATOM 899 C LEU A 59 -1.299 -8.907 -11.406 1.00 0.85 C ATOM 900 O LEU A 59 -1.823 -9.475 -12.358 1.00 0.96 O ATOM 901 CB LEU A 59 0.298 -7.101 -12.059 1.00 0.96 C ATOM 902 CG LEU A 59 1.517 -7.031 -11.126 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.601 -8.209 -10.195 1.00 1.54 C ATOM 904 CD2 LEU A 59 2.765 -7.021 -11.945 1.00 1.46 C ATOM 0 H LEU A 59 -0.422 -6.157 -9.870 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.855 -6.954 -12.043 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.495 -7.866 -12.810 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.225 -6.149 -12.586 1.00 0.96 H new ATOM 0 HG LEU A 59 1.408 -6.123 -10.533 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.480 -8.108 -9.559 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.706 -8.246 -9.574 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.677 -9.128 -10.777 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.632 -6.971 -11.286 1.00 1.46 H new ATOM 0 HD22 LEU A 59 2.815 -7.931 -12.543 1.00 1.46 H new ATOM 0 HD23 LEU A 59 2.760 -6.153 -12.605 1.00 1.46 H new ATOM 916 N ARG A 60 -0.891 -9.541 -10.325 1.00 0.83 N ATOM 917 CA ARG A 60 -1.025 -10.977 -10.181 1.00 0.90 C ATOM 918 C ARG A 60 -2.496 -11.406 -10.188 1.00 0.98 C ATOM 919 O ARG A 60 -2.933 -12.164 -11.053 1.00 1.15 O ATOM 920 CB ARG A 60 -0.370 -11.450 -8.881 1.00 1.03 C ATOM 921 CG ARG A 60 1.141 -11.297 -8.848 1.00 1.00 C ATOM 922 CD ARG A 60 1.707 -11.768 -7.519 1.00 1.07 C ATOM 923 NE ARG A 60 3.163 -11.670 -7.465 1.00 1.41 N ATOM 924 CZ ARG A 60 3.977 -12.724 -7.439 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.481 -13.953 -7.530 1.00 2.43 N ATOM 926 NH2 ARG A 60 5.286 -12.547 -7.327 1.00 2.58 N ATOM 0 H ARG A 60 -0.459 -9.078 -9.525 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.523 -11.436 -11.033 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.798 -10.891 -8.049 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -0.620 -12.499 -8.723 1.00 1.03 H new ATOM 0 HG2 ARG A 60 1.586 -11.871 -9.661 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.408 -10.253 -9.012 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.276 -11.174 -6.713 1.00 1.07 H new ATOM 0 HD3 ARG A 60 1.409 -12.802 -7.347 1.00 1.07 H new ATOM 0 HE ARG A 60 3.581 -10.740 -7.446 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.474 -14.091 -7.620 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.107 -14.758 -7.510 1.00 2.43 H new ATOM 0 HH21 ARG A 60 5.669 -11.604 -7.261 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.910 -13.354 -7.307 1.00 2.58 H new ATOM 940 N TYR A 61 -3.246 -10.917 -9.207 1.00 1.04 N ATOM 941 CA TYR A 61 -4.627 -11.345 -8.987 1.00 1.26 C ATOM 942 C TYR A 61 -5.633 -10.450 -9.725 1.00 1.32 C ATOM 943 O TYR A 61 -6.839 -10.699 -9.690 1.00 1.59 O ATOM 944 CB TYR A 61 -4.921 -11.363 -7.483 1.00 1.52 C ATOM 945 CG TYR A 61 -6.163 -12.141 -7.099 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.558 -13.256 -7.824 1.00 2.84 C ATOM 947 CD2 TYR A 61 -6.940 -11.757 -6.012 1.00 2.70 C ATOM 948 CE1 TYR A 61 -7.692 -13.966 -7.480 1.00 3.86 C ATOM 949 CE2 TYR A 61 -8.073 -12.463 -5.661 1.00 3.67 C ATOM 950 CZ TYR A 61 -8.438 -13.574 -6.391 1.00 4.23 C ATOM 951 OH TYR A 61 -9.573 -14.274 -6.049 1.00 5.32 O ATOM 0 H TYR A 61 -2.918 -10.216 -8.543 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.740 -12.350 -9.394 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -4.064 -11.790 -6.962 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.027 -10.336 -7.133 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -5.969 -13.574 -8.672 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -6.652 -10.892 -5.433 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -7.992 -14.825 -8.062 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -8.670 -12.147 -4.819 1.00 3.67 H new ATOM 0 HH TYR A 61 -9.652 -15.068 -6.618 1.00 5.32 H new ATOM 961 N ARG A 62 -5.130 -9.404 -10.374 1.00 1.28 N ATOM 962 CA ARG A 62 -5.964 -8.396 -11.045 1.00 1.39 C ATOM 963 C ARG A 62 -7.021 -9.011 -11.971 1.00 1.07 C ATOM 964 O ARG A 62 -8.084 -8.426 -12.178 1.00 1.30 O ATOM 965 CB ARG A 62 -5.077 -7.436 -11.843 1.00 1.72 C ATOM 966 CG ARG A 62 -5.838 -6.324 -12.545 1.00 2.15 C ATOM 967 CD ARG A 62 -4.898 -5.412 -13.314 1.00 2.51 C ATOM 968 NE ARG A 62 -4.084 -6.154 -14.275 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.017 -5.649 -14.891 1.00 3.59 C ATOM 970 NH1 ARG A 62 -2.643 -4.396 -14.666 1.00 3.59 N ATOM 971 NH2 ARG A 62 -2.325 -6.402 -15.734 1.00 4.48 N ATOM 0 H ARG A 62 -4.129 -9.226 -10.453 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.499 -7.858 -10.263 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.345 -6.991 -11.170 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.521 -8.006 -12.587 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.569 -6.756 -13.228 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.394 -5.741 -11.811 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -5.478 -4.653 -13.839 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.247 -4.889 -12.614 1.00 2.51 H new ATOM 0 HE ARG A 62 -4.349 -7.116 -14.486 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.174 -3.814 -14.018 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -1.825 -4.015 -15.141 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -2.610 -7.365 -15.909 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -1.507 -6.018 -16.207 1.00 4.48 H new ATOM 985 N ARG A 63 -6.722 -10.178 -12.532 1.00 0.98 N ATOM 986 CA ARG A 63 -7.670 -10.893 -13.389 1.00 1.19 C ATOM 987 C ARG A 63 -9.007 -11.115 -12.690 1.00 1.20 C ATOM 988 O ARG A 63 -10.062 -11.097 -13.326 1.00 1.45 O ATOM 989 CB ARG A 63 -7.091 -12.240 -13.821 1.00 1.61 C ATOM 990 CG ARG A 63 -6.010 -12.133 -14.883 1.00 2.18 C ATOM 991 CD ARG A 63 -5.522 -13.505 -15.318 1.00 2.52 C ATOM 992 NE ARG A 63 -6.606 -14.330 -15.853 1.00 3.12 N ATOM 993 CZ ARG A 63 -6.420 -15.468 -16.521 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.192 -15.888 -16.802 1.00 4.07 N ATOM 995 NH2 ARG A 63 -7.468 -16.171 -16.936 1.00 4.72 N ATOM 0 H ARG A 63 -5.828 -10.653 -12.410 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.843 -10.271 -14.268 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.679 -12.745 -12.947 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -7.898 -12.867 -14.200 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -6.398 -11.593 -15.746 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -5.172 -11.554 -14.495 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -4.747 -13.390 -16.075 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -5.065 -14.013 -14.469 1.00 2.52 H new ATOM 0 HE ARG A 63 -7.564 -14.014 -15.705 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -4.385 -15.339 -16.506 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -5.056 -16.760 -17.314 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -8.413 -15.839 -16.743 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -7.327 -17.042 -17.447 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.963 -11.321 -11.383 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.171 -11.577 -10.616 1.00 1.09 C ATOM 1011 C ALA A 64 -10.801 -10.285 -10.126 1.00 1.08 C ATOM 1012 O ALA A 64 -12.009 -10.228 -9.929 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.867 -12.480 -9.435 1.00 1.17 C ATOM 0 H ALA A 64 -8.105 -11.316 -10.832 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.881 -12.074 -11.276 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.782 -12.662 -8.871 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.468 -13.428 -9.795 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.132 -11.999 -8.789 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.979 -9.249 -9.956 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.418 -7.979 -9.360 1.00 1.22 C ATOM 1021 C PHE A 65 -11.736 -7.477 -9.953 1.00 1.19 C ATOM 1022 O PHE A 65 -12.645 -7.092 -9.221 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.330 -6.911 -9.532 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.798 -5.514 -9.227 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.157 -5.152 -7.940 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -9.893 -4.568 -10.238 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.598 -3.872 -7.666 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.334 -3.287 -9.968 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.688 -2.938 -8.680 1.00 2.81 C ATOM 0 H PHE A 65 -8.995 -9.262 -10.225 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.589 -8.167 -8.300 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.490 -7.153 -8.881 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.959 -6.945 -10.557 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.092 -5.877 -7.142 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -9.619 -4.836 -11.248 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -10.873 -3.601 -6.657 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -10.402 -2.560 -10.763 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.034 -1.938 -8.466 1.00 2.81 H new ATOM 1039 N SER A 66 -11.846 -7.510 -11.270 1.00 1.20 N ATOM 1040 CA SER A 66 -13.010 -6.960 -11.947 1.00 1.24 C ATOM 1041 C SER A 66 -14.266 -7.795 -11.679 1.00 1.13 C ATOM 1042 O SER A 66 -15.388 -7.288 -11.744 1.00 1.16 O ATOM 1043 CB SER A 66 -12.724 -6.858 -13.444 1.00 1.45 C ATOM 1044 OG SER A 66 -12.138 -8.054 -13.931 1.00 2.19 O ATOM 0 H SER A 66 -11.144 -7.911 -11.892 1.00 1.20 H new ATOM 0 HA SER A 66 -13.205 -5.963 -11.552 1.00 1.24 H new ATOM 0 HB2 SER A 66 -13.650 -6.657 -13.982 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.056 -6.018 -13.634 1.00 1.45 H new ATOM 0 HG SER A 66 -11.965 -7.966 -14.892 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.073 -9.070 -11.363 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.184 -9.964 -11.058 1.00 1.08 C ATOM 1052 C ASP A 67 -15.502 -9.958 -9.570 1.00 0.97 C ATOM 1053 O ASP A 67 -16.650 -10.161 -9.170 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.872 -11.397 -11.495 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.028 -11.614 -12.984 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.173 -11.810 -13.444 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -14.010 -11.578 -13.707 1.00 2.72 O ATOM 0 H ASP A 67 -13.154 -9.509 -11.311 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.050 -9.599 -11.611 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.851 -11.645 -11.203 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.531 -12.084 -10.963 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.483 -9.719 -8.748 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.618 -9.826 -7.304 1.00 0.85 C ATOM 1064 C LEU A 68 -15.642 -8.850 -6.738 1.00 0.76 C ATOM 1065 O LEU A 68 -16.197 -9.096 -5.669 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.268 -9.619 -6.623 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.177 -10.611 -7.034 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.019 -10.548 -6.066 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -12.721 -12.027 -7.120 1.00 1.56 C ATOM 0 H LEU A 68 -13.551 -9.449 -9.063 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.980 -10.833 -7.096 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.920 -8.609 -6.840 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.409 -9.683 -5.544 1.00 0.91 H new ATOM 0 HG LEU A 68 -11.823 -10.329 -8.026 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -10.251 -11.259 -6.371 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -10.601 -9.541 -6.063 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.368 -10.799 -5.064 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -11.921 -12.707 -7.414 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.112 -12.326 -6.148 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -13.520 -12.065 -7.860 1.00 1.56 H new ATOM 1081 N THR A 69 -15.918 -7.769 -7.461 1.00 0.70 N ATOM 1082 CA THR A 69 -16.909 -6.790 -7.018 1.00 0.62 C ATOM 1083 C THR A 69 -18.274 -7.442 -6.832 1.00 0.63 C ATOM 1084 O THR A 69 -19.117 -6.948 -6.081 1.00 0.60 O ATOM 1085 CB THR A 69 -17.043 -5.624 -8.011 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.134 -6.127 -9.351 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.873 -4.670 -7.896 1.00 0.63 C ATOM 0 H THR A 69 -15.473 -7.548 -8.352 1.00 0.70 H new ATOM 0 HA THR A 69 -16.557 -6.399 -6.063 1.00 0.62 H new ATOM 0 HB THR A 69 -17.954 -5.076 -7.768 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.614 -5.553 -9.952 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.996 -3.856 -8.610 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.833 -4.263 -6.886 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.946 -5.203 -8.109 1.00 0.63 H new ATOM 1095 N SER A 70 -18.480 -8.559 -7.515 1.00 0.72 N ATOM 1096 CA SER A 70 -19.702 -9.327 -7.380 1.00 0.80 C ATOM 1097 C SER A 70 -19.658 -10.137 -6.090 1.00 0.76 C ATOM 1098 O SER A 70 -20.660 -10.261 -5.386 1.00 0.76 O ATOM 1099 CB SER A 70 -19.862 -10.260 -8.576 1.00 0.96 C ATOM 1100 OG SER A 70 -21.191 -10.750 -8.673 1.00 1.34 O ATOM 0 H SER A 70 -17.808 -8.953 -8.173 1.00 0.72 H new ATOM 0 HA SER A 70 -20.553 -8.647 -7.346 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.600 -9.730 -9.491 1.00 0.96 H new ATOM 0 HB3 SER A 70 -19.169 -11.097 -8.483 1.00 0.96 H new ATOM 0 HG SER A 70 -21.265 -11.344 -9.449 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.480 -10.669 -5.784 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.277 -11.455 -4.573 1.00 0.77 C ATOM 1108 C GLN A 71 -18.462 -10.575 -3.351 1.00 0.67 C ATOM 1109 O GLN A 71 -19.269 -10.869 -2.470 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.871 -12.052 -4.543 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.475 -12.788 -5.805 1.00 0.99 C ATOM 1112 CD GLN A 71 -15.243 -13.647 -5.604 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.401 -13.265 -4.653 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -15.054 -14.658 -6.281 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.646 -10.569 -6.363 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.008 -12.263 -4.567 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.154 -11.251 -4.364 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.799 -12.738 -3.699 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -17.304 -13.415 -6.133 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.287 -12.067 -6.600 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -15.724 -14.920 -7.004 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -14.227 -15.233 -6.119 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.716 -9.478 -3.320 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.798 -8.533 -2.220 1.00 0.55 C ATOM 1125 C LEU A 72 -19.164 -7.863 -2.206 1.00 0.47 C ATOM 1126 O LEU A 72 -19.680 -7.506 -1.147 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.706 -7.465 -2.343 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.265 -7.979 -2.308 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.561 -7.672 -3.620 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.506 -7.360 -1.146 1.00 1.35 C ATOM 0 H LEU A 72 -17.047 -9.223 -4.047 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.653 -9.080 -1.289 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.856 -6.924 -3.278 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.835 -6.746 -1.534 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.289 -9.060 -2.169 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.537 -8.044 -3.579 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.091 -8.157 -4.440 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.549 -6.594 -3.783 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.483 -7.737 -1.137 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.492 -6.276 -1.257 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.998 -7.622 -0.209 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.750 -7.717 -3.393 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.018 -7.016 -3.555 1.00 0.48 C ATOM 1144 C HIS A 73 -20.819 -5.563 -3.158 1.00 0.43 C ATOM 1145 O HIS A 73 -21.419 -5.054 -2.210 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.140 -7.675 -2.738 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.497 -7.076 -2.969 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.125 -6.259 -2.054 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.341 -7.172 -4.022 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.292 -5.879 -2.531 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.447 -6.418 -3.723 1.00 2.62 N ATOM 0 H HIS A 73 -19.361 -8.080 -4.263 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.330 -7.070 -4.598 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -22.177 -8.737 -2.981 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -21.896 -7.599 -1.678 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.175 -7.736 -4.928 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -26.001 -5.236 -2.031 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -26.260 -6.294 -4.327 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.913 -4.935 -3.878 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.543 -3.550 -3.658 1.00 0.41 C ATOM 1162 C ILE A 74 -20.755 -2.636 -3.775 1.00 0.49 C ATOM 1163 O ILE A 74 -21.445 -2.615 -4.797 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.458 -3.153 -4.668 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.288 -4.129 -4.548 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.989 -1.730 -4.428 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.462 -3.934 -3.297 1.00 0.39 C ATOM 0 H ILE A 74 -19.405 -5.378 -4.644 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.151 -3.441 -2.647 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.872 -3.199 -5.675 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.673 -5.148 -4.563 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.643 -4.019 -5.420 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.220 -1.473 -5.157 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.832 -1.047 -4.533 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.578 -1.647 -3.422 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.650 -4.661 -3.280 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.047 -2.926 -3.289 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.093 -4.074 -2.419 1.00 0.39 H new ATOM 1179 N THR A 75 -21.003 -1.892 -2.713 1.00 0.38 N ATOM 1180 CA THR A 75 -22.234 -1.149 -2.556 1.00 0.40 C ATOM 1181 C THR A 75 -21.972 0.007 -1.560 1.00 0.37 C ATOM 1182 O THR A 75 -20.805 0.258 -1.250 1.00 0.34 O ATOM 1183 CB THR A 75 -23.331 -2.147 -2.064 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.622 -1.802 -2.582 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.392 -2.225 -0.544 1.00 0.46 C ATOM 0 H THR A 75 -20.353 -1.787 -1.934 1.00 0.38 H new ATOM 0 HA THR A 75 -22.583 -0.704 -3.488 1.00 0.40 H new ATOM 0 HB THR A 75 -23.048 -3.128 -2.445 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.287 -2.445 -2.258 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.168 -2.930 -0.247 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.429 -2.561 -0.158 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.622 -1.240 -0.138 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.010 0.773 -1.124 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.961 1.689 0.025 1.00 0.37 C ATOM 1195 C PRO A 76 -21.987 1.287 1.143 1.00 0.35 C ATOM 1196 O PRO A 76 -21.512 0.157 1.192 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.402 1.654 0.544 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.242 1.128 -0.584 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.323 0.887 -1.754 1.00 0.44 C ATOM 0 HA PRO A 76 -22.594 2.668 -0.283 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.484 1.013 1.422 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.732 2.649 0.844 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.742 0.205 -0.292 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.021 1.843 -0.848 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.590 -0.020 -2.297 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.357 1.708 -2.470 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.724 2.258 2.031 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.732 2.162 3.116 1.00 0.37 C ATOM 1209 C GLY A 77 -20.458 0.777 3.694 1.00 0.38 C ATOM 1210 O GLY A 77 -19.341 0.512 4.144 1.00 0.40 O ATOM 0 H GLY A 77 -22.208 3.156 2.015 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.789 2.566 2.747 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.059 2.808 3.930 1.00 0.37 H new ATOM 1214 N THR A 78 -21.445 -0.104 3.679 1.00 0.40 N ATOM 1215 CA THR A 78 -21.282 -1.453 4.195 1.00 0.42 C ATOM 1216 C THR A 78 -20.399 -2.313 3.282 1.00 0.38 C ATOM 1217 O THR A 78 -20.291 -3.527 3.462 1.00 0.40 O ATOM 1218 CB THR A 78 -22.648 -2.128 4.390 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.406 -2.061 3.175 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.417 -1.444 5.504 1.00 0.56 C ATOM 0 H THR A 78 -22.376 0.094 3.311 1.00 0.40 H new ATOM 0 HA THR A 78 -20.783 -1.369 5.160 1.00 0.42 H new ATOM 0 HB THR A 78 -22.485 -3.172 4.657 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.275 -2.495 3.307 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.383 -1.932 5.632 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.850 -1.512 6.433 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.571 -0.395 5.249 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.742 -1.673 2.317 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.757 -2.341 1.478 1.00 0.31 C ATOM 1230 C ALA A 79 -17.509 -2.646 2.294 1.00 0.30 C ATOM 1231 O ALA A 79 -16.652 -3.422 1.881 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.414 -1.483 0.267 1.00 0.32 C ATOM 0 H ALA A 79 -19.877 -0.686 2.098 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.178 -3.279 1.116 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.677 -1.999 -0.348 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.315 -1.305 -0.320 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.005 -0.530 0.601 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.425 -2.036 3.471 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.333 -2.301 4.399 1.00 0.36 C ATOM 1240 C TYR A 80 -16.603 -3.614 5.129 1.00 0.36 C ATOM 1241 O TYR A 80 -15.718 -4.188 5.758 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.181 -1.141 5.387 1.00 0.44 C ATOM 1243 CG TYR A 80 -14.842 -1.096 6.097 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -13.715 -0.589 5.459 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -14.708 -1.544 7.404 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -12.494 -0.531 6.106 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -13.490 -1.491 8.056 1.00 2.52 C ATOM 1248 CZ TYR A 80 -12.386 -0.983 7.402 1.00 3.12 C ATOM 1249 OH TYR A 80 -11.171 -0.922 8.053 1.00 4.13 O ATOM 0 H TYR A 80 -18.103 -1.352 3.806 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.397 -2.391 3.848 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.327 -0.202 4.852 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.972 -1.209 6.133 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.795 -0.235 4.442 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.570 -1.941 7.920 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -11.629 -0.133 5.597 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -13.403 -1.846 9.072 1.00 2.52 H new ATOM 0 HH TYR A 80 -10.831 -0.003 8.025 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.842 -4.083 5.032 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.214 -5.398 5.538 1.00 0.41 C ATOM 1261 C GLN A 81 -17.901 -6.462 4.496 1.00 0.41 C ATOM 1262 O GLN A 81 -17.776 -7.647 4.797 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.692 -5.421 5.906 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.980 -4.777 7.252 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.451 -4.497 7.470 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.318 -5.197 6.946 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.742 -3.471 8.251 1.00 0.79 N ATOM 0 H GLN A 81 -18.611 -3.567 4.604 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.635 -5.612 6.436 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.261 -4.904 5.133 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -20.041 -6.454 5.922 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.618 -5.430 8.046 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.423 -3.843 7.329 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -20.993 -2.917 8.665 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.716 -3.234 8.439 1.00 0.79 H new ATOM 1276 N SER A 82 -17.792 -6.009 3.269 1.00 0.39 N ATOM 1277 CA SER A 82 -17.289 -6.822 2.173 1.00 0.41 C ATOM 1278 C SER A 82 -15.768 -6.849 2.239 1.00 0.41 C ATOM 1279 O SER A 82 -15.140 -7.905 2.185 1.00 0.48 O ATOM 1280 CB SER A 82 -17.743 -6.217 0.849 1.00 0.41 C ATOM 1281 OG SER A 82 -19.122 -5.891 0.891 1.00 0.43 O ATOM 0 H SER A 82 -18.050 -5.061 2.996 1.00 0.39 H new ATOM 0 HA SER A 82 -17.674 -7.839 2.250 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.159 -5.322 0.634 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.556 -6.922 0.039 1.00 0.41 H new ATOM 0 HG SER A 82 -19.596 -6.385 0.190 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.194 -5.661 2.381 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.764 -5.493 2.589 1.00 0.37 C ATOM 1289 C PHE A 83 -13.348 -6.152 3.905 1.00 0.38 C ATOM 1290 O PHE A 83 -12.172 -6.419 4.143 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.426 -3.998 2.586 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.958 -3.689 2.524 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -11.130 -4.392 1.668 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.405 -2.705 3.328 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.778 -4.121 1.615 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.054 -2.428 3.277 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.249 -3.096 2.401 1.00 1.18 C ATOM 0 H PHE A 83 -15.712 -4.783 2.355 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.212 -5.976 1.783 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.919 -3.529 1.734 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.842 -3.543 3.485 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.546 -5.161 1.034 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.039 -2.148 4.002 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -9.133 -4.698 0.969 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.633 -1.680 3.932 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.205 -2.832 2.316 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.338 -6.409 4.753 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.125 -7.081 6.024 1.00 0.48 C ATOM 1309 C GLU A 84 -13.549 -8.463 5.805 1.00 0.52 C ATOM 1310 O GLU A 84 -12.567 -8.841 6.429 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.439 -7.222 6.770 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.292 -7.901 8.110 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.589 -7.966 8.882 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.027 -6.916 9.393 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -17.172 -9.065 8.982 1.00 0.78 O ATOM 0 H GLU A 84 -15.310 -6.156 4.576 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.427 -6.480 6.607 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.874 -6.233 6.917 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.138 -7.790 6.157 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.914 -8.912 7.960 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.549 -7.367 8.702 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.201 -9.208 4.928 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.752 -10.540 4.524 1.00 0.65 C ATOM 1324 C GLN A 85 -12.274 -10.528 4.187 1.00 0.64 C ATOM 1325 O GLN A 85 -11.540 -11.478 4.467 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.547 -10.990 3.303 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.034 -10.909 3.520 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.846 -11.428 2.349 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.412 -11.381 1.199 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.045 -11.906 2.635 1.00 1.62 N ATOM 0 H GLN A 85 -15.062 -8.909 4.471 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.914 -11.231 5.351 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.274 -10.372 2.448 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.275 -12.016 3.054 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.294 -11.478 4.413 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.309 -9.872 3.711 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.368 -11.928 3.602 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.647 -12.253 1.888 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.854 -9.420 3.617 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.496 -9.250 3.171 1.00 0.62 C ATOM 1341 C VAL A 86 -9.596 -8.857 4.329 1.00 0.55 C ATOM 1342 O VAL A 86 -8.571 -9.466 4.571 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.406 -8.170 2.093 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.213 -8.458 1.222 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.690 -8.099 1.280 1.00 1.30 C ATOM 0 H VAL A 86 -12.451 -8.610 3.451 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.168 -10.204 2.758 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.280 -7.194 2.561 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.135 -7.695 0.447 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.308 -8.451 1.830 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.330 -9.437 0.757 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.597 -7.322 0.521 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.868 -9.060 0.797 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.526 -7.864 1.939 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.984 -7.838 5.067 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.176 -7.405 6.193 1.00 0.51 C ATOM 1357 C VAL A 87 -9.068 -8.536 7.216 1.00 0.56 C ATOM 1358 O VAL A 87 -8.111 -8.619 7.986 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.748 -6.132 6.848 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -11.052 -6.407 7.581 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.726 -5.510 7.778 1.00 0.85 C ATOM 0 H VAL A 87 -10.838 -7.301 4.914 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.181 -7.158 5.823 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.972 -5.423 6.051 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.420 -5.483 8.028 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.791 -6.790 6.877 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.880 -7.145 8.364 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.146 -4.612 8.232 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.464 -6.223 8.559 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.832 -5.246 7.212 1.00 0.85 H new ATOM 1371 N ASN A 88 -10.055 -9.418 7.163 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.109 -10.610 7.993 1.00 0.71 C ATOM 1373 C ASN A 88 -9.083 -11.656 7.559 1.00 0.78 C ATOM 1374 O ASN A 88 -8.446 -12.287 8.402 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.513 -11.200 7.953 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.299 -10.888 9.210 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.290 -11.658 10.170 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.985 -9.757 9.214 1.00 0.73 N ATOM 0 H ASN A 88 -10.852 -9.324 6.533 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.862 -10.318 9.014 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.046 -10.808 7.086 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.448 -12.281 7.826 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.533 -9.496 10.034 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.966 -9.146 8.397 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.908 -11.845 6.249 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.905 -12.778 5.763 1.00 0.84 C ATOM 1387 C GLU A 89 -6.547 -12.185 5.962 1.00 0.82 C ATOM 1388 O GLU A 89 -5.570 -12.880 6.170 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.125 -13.119 4.287 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.241 -11.946 3.343 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.930 -11.283 2.941 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.872 -11.766 3.377 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.953 -10.290 2.197 1.00 2.87 O ATOM 0 H GLU A 89 -9.441 -11.370 5.521 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.990 -13.706 6.328 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.299 -13.747 3.953 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.033 -13.716 4.205 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.748 -12.281 2.438 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.879 -11.193 3.806 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.513 -10.883 5.919 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.280 -10.159 5.840 1.00 0.64 C ATOM 1402 C LEU A 90 -4.495 -10.230 7.162 1.00 0.70 C ATOM 1403 O LEU A 90 -3.265 -10.263 7.170 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.630 -8.724 5.478 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.912 -8.105 4.273 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.314 -9.131 3.350 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.881 -7.229 3.508 1.00 1.28 C ATOM 0 H LEU A 90 -7.345 -10.293 5.938 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.630 -10.598 5.083 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.703 -8.676 5.292 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.429 -8.099 6.348 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.083 -7.513 4.661 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.821 -8.628 2.518 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.585 -9.730 3.896 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.102 -9.779 2.967 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.373 -6.787 2.651 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.721 -7.832 3.162 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.248 -6.436 4.160 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.216 -10.293 8.277 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.608 -10.201 9.611 1.00 0.82 C ATOM 1421 C PHE A 91 -4.616 -11.558 10.306 1.00 0.91 C ATOM 1422 O PHE A 91 -4.353 -11.660 11.496 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.384 -9.175 10.437 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.566 -9.716 11.203 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.693 -10.164 10.530 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -6.551 -9.782 12.585 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.778 -10.665 11.223 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -7.634 -10.281 13.284 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.742 -10.703 12.626 1.00 2.23 C ATOM 0 H PHE A 91 -6.229 -10.408 8.288 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.569 -9.885 9.512 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.697 -8.710 11.144 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.735 -8.388 9.769 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.723 -10.121 9.451 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.681 -9.439 13.125 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.646 -11.024 10.690 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -7.597 -10.335 14.362 1.00 1.75 H new ATOM 0 HZ PHE A 91 -9.595 -11.067 13.180 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.921 -12.589 9.543 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.018 -13.960 10.076 1.00 1.11 C ATOM 1441 C ARG A 92 -3.745 -14.395 10.819 1.00 0.83 C ATOM 1442 O ARG A 92 -3.807 -15.140 11.796 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.356 -14.957 8.957 1.00 1.53 C ATOM 1444 CG ARG A 92 -4.177 -15.440 8.114 1.00 1.62 C ATOM 1445 CD ARG A 92 -3.554 -14.315 7.308 1.00 2.21 C ATOM 1446 NE ARG A 92 -2.557 -14.792 6.356 1.00 3.27 N ATOM 1447 CZ ARG A 92 -2.457 -14.344 5.102 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -3.265 -13.381 4.668 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -1.554 -14.864 4.278 1.00 5.06 N ATOM 0 H ARG A 92 -5.110 -12.516 8.543 1.00 0.96 H new ATOM 0 HA ARG A 92 -5.828 -13.958 10.805 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -5.838 -15.826 9.405 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.087 -14.494 8.293 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -3.422 -15.880 8.766 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -4.513 -16.227 7.438 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -4.338 -13.781 6.771 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -3.089 -13.600 7.987 1.00 2.21 H new ATOM 0 HE ARG A 92 -1.899 -15.508 6.665 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -3.965 -12.982 5.294 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -3.185 -13.042 3.709 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -0.935 -15.607 4.603 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -1.479 -14.520 3.321 1.00 5.06 H new ATOM 1463 N ASP A 93 -2.596 -13.935 10.345 1.00 0.84 N ATOM 1464 CA ASP A 93 -1.315 -14.220 11.005 1.00 1.10 C ATOM 1465 C ASP A 93 -1.066 -13.219 12.128 1.00 1.31 C ATOM 1466 O ASP A 93 -0.279 -13.447 13.043 1.00 1.88 O ATOM 1467 CB ASP A 93 -0.184 -14.187 9.974 1.00 1.65 C ATOM 1468 CG ASP A 93 1.199 -14.269 10.587 1.00 2.40 C ATOM 1469 OD1 ASP A 93 1.641 -15.392 10.908 1.00 2.58 O ATOM 1470 OD2 ASP A 93 1.839 -13.211 10.765 1.00 3.12 O ATOM 0 H ASP A 93 -2.517 -13.361 9.505 1.00 0.84 H new ATOM 0 HA ASP A 93 -1.349 -15.216 11.446 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -0.314 -15.016 9.278 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -0.261 -13.268 9.393 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.783 -12.124 12.042 1.00 1.11 N ATOM 1476 CA GLY A 94 -1.796 -11.109 13.064 1.00 1.69 C ATOM 1477 C GLY A 94 -1.587 -9.742 12.467 1.00 1.62 C ATOM 1478 O GLY A 94 -2.216 -8.799 12.912 1.00 2.31 O ATOM 0 H GLY A 94 -2.384 -11.911 11.245 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -2.747 -11.136 13.597 1.00 1.69 H new ATOM 0 HA3 GLY A 94 -1.014 -11.314 13.796 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.674 -9.677 11.476 1.00 0.85 N ATOM 1483 CA VAL A 95 -0.541 -8.621 10.464 1.00 0.67 C ATOM 1484 C VAL A 95 0.727 -8.889 9.662 1.00 0.62 C ATOM 1485 O VAL A 95 1.832 -8.800 10.188 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.494 -7.196 11.049 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.226 -6.214 10.128 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.887 -6.711 11.298 1.00 1.06 C ATOM 0 H VAL A 95 0.030 -10.406 11.358 1.00 0.85 H new ATOM 0 HA VAL A 95 -1.432 -8.655 9.838 1.00 0.67 H new ATOM 0 HB VAL A 95 0.066 -7.245 11.983 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.232 -5.224 10.585 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.252 -6.548 9.971 1.00 0.84 H new ATOM 0 HG13 VAL A 95 -0.291 -6.168 9.170 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.853 -5.703 11.712 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.441 -6.699 10.360 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -2.383 -7.377 12.004 1.00 1.06 H new ATOM 1498 N ASN A 96 0.569 -9.257 8.410 1.00 0.76 N ATOM 1499 CA ASN A 96 1.715 -9.599 7.577 1.00 0.86 C ATOM 1500 C ASN A 96 2.316 -8.337 6.989 1.00 0.72 C ATOM 1501 O ASN A 96 1.612 -7.344 6.795 1.00 0.62 O ATOM 1502 CB ASN A 96 1.304 -10.543 6.444 1.00 1.17 C ATOM 1503 CG ASN A 96 0.271 -11.566 6.871 1.00 1.47 C ATOM 1504 OD1 ASN A 96 0.294 -11.939 8.138 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 -0.544 -12.011 6.069 1.00 1.67 N flip ATOM 0 H ASN A 96 -0.335 -9.329 7.942 1.00 0.76 H new ATOM 0 HA ASN A 96 2.453 -10.104 8.201 1.00 0.86 H new ATOM 0 HB2 ASN A 96 0.906 -9.956 5.616 1.00 1.17 H new ATOM 0 HB3 ASN A 96 2.188 -11.061 6.071 1.00 1.17 H new ATOM 0 HD21 ASN A 96 -0.528 -11.697 5.099 1.00 1.67 H new ATOM 0 HD22 ASN A 96 -1.237 -12.695 6.373 1.00 1.67 H new ATOM 1512 N TRP A 97 3.607 -8.381 6.697 1.00 0.77 N ATOM 1513 CA TRP A 97 4.294 -7.243 6.108 1.00 0.72 C ATOM 1514 C TRP A 97 3.644 -6.868 4.779 1.00 0.63 C ATOM 1515 O TRP A 97 3.239 -5.723 4.565 1.00 0.59 O ATOM 1516 CB TRP A 97 5.776 -7.575 5.899 1.00 0.86 C ATOM 1517 CG TRP A 97 6.586 -6.415 5.404 1.00 0.68 C ATOM 1518 CD1 TRP A 97 7.260 -5.508 6.166 1.00 0.83 C ATOM 1519 CD2 TRP A 97 6.806 -6.036 4.038 1.00 1.43 C ATOM 1520 NE1 TRP A 97 7.883 -4.586 5.361 1.00 0.99 N ATOM 1521 CE2 TRP A 97 7.618 -4.889 4.051 1.00 1.60 C ATOM 1522 CE3 TRP A 97 6.394 -6.556 2.806 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 8.025 -4.252 2.881 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 6.798 -5.922 1.647 1.00 3.24 C ATOM 1525 CH2 TRP A 97 7.607 -4.781 1.692 1.00 3.34 C ATOM 0 H TRP A 97 4.201 -9.195 6.859 1.00 0.77 H new ATOM 0 HA TRP A 97 4.217 -6.394 6.787 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.197 -7.926 6.841 1.00 0.86 H new ATOM 0 HB3 TRP A 97 5.859 -8.396 5.187 1.00 0.86 H new ATOM 0 HD1 TRP A 97 7.299 -5.514 7.245 1.00 0.83 H new ATOM 0 HE1 TRP A 97 8.451 -3.803 5.685 1.00 0.99 H new ATOM 0 HE3 TRP A 97 5.771 -7.437 2.762 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 8.649 -3.371 2.912 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 6.484 -6.313 0.691 1.00 3.24 H new ATOM 0 HH2 TRP A 97 7.907 -4.309 0.768 1.00 3.34 H new ATOM 1536 N GLY A 98 3.514 -7.857 3.904 1.00 0.69 N ATOM 1537 CA GLY A 98 2.964 -7.618 2.589 1.00 0.69 C ATOM 1538 C GLY A 98 1.457 -7.484 2.602 1.00 0.62 C ATOM 1539 O GLY A 98 0.864 -6.978 1.651 1.00 0.61 O ATOM 0 H GLY A 98 3.782 -8.824 4.085 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.402 -6.709 2.176 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.246 -8.437 1.927 1.00 0.69 H new ATOM 1543 N ARG A 99 0.829 -7.921 3.684 0.65 0.65 N ATOM 1544 CA ARG A 99 -0.620 -7.841 3.784 0.67 0.67 C ATOM 1545 C ARG A 99 -1.036 -6.394 3.991 0.53 0.53 C ATOM 1546 O ARG A 99 -2.129 -5.995 3.601 0.55 0.55 O ATOM 1547 CB ARG A 99 -1.152 -8.735 4.916 0.82 0.82 C ATOM 1548 CG ARG A 99 -1.388 -8.066 6.346 1.04 1.04 C ATOM 1549 CD ARG A 99 -2.680 -7.241 6.547 1.50 1.50 C ATOM 1550 NE ARG A 99 -3.017 -6.808 7.945 2.48 2.48 N ATOM 1551 CZ ARG A 99 -4.254 -6.364 8.297 3.32 3.32 C ATOM 1552 NH1 ARG A 99 -5.174 -5.960 7.408 3.44 3.44 N ATOM 1553 NH2 ARG A 99 -4.590 -6.317 9.594 4.24 4.24 N ATOM 0 H ARG A 99 1.293 -8.330 4.495 0.65 0.65 H new ATOM 0 HA ARG A 99 -1.056 -8.206 2.854 0.67 0.67 H new ATOM 0 HB2 ARG A 99 -2.098 -9.164 4.587 0.82 0.82 H new ATOM 0 HB3 ARG A 99 -0.454 -9.563 5.045 0.82 0.82 H new ATOM 0 HG2 ARG A 99 -1.376 -8.859 7.094 1.04 1.04 H new ATOM 0 HG3 ARG A 99 -0.539 -7.416 6.557 1.04 1.04 H new ATOM 0 HD2 ARG A 99 -2.608 -6.348 5.927 1.50 1.50 H new ATOM 0 HD3 ARG A 99 -3.516 -7.828 6.166 1.50 1.50 H new ATOM 0 HE ARG A 99 -2.290 -6.848 8.659 2.48 2.48 H new ATOM 0 HH11 ARG A 99 -4.961 -5.976 6.411 3.44 3.44 H new ATOM 0 HH12 ARG A 99 -6.086 -5.637 7.730 3.44 3.44 H new ATOM 0 HH21 ARG A 99 -3.921 -6.612 10.305 4.24 4.24 H new ATOM 0 HH22 ARG A 99 -5.515 -5.986 9.870 4.24 4.24 H new ATOM 1567 N ILE A 100 -0.166 -5.616 4.621 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.432 -4.203 4.823 1.00 0.36 C ATOM 1569 C ILE A 100 -0.520 -3.507 3.472 1.00 0.33 C ATOM 1570 O ILE A 100 -1.443 -2.737 3.217 1.00 0.34 O ATOM 1571 CB ILE A 100 0.650 -3.546 5.710 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.624 -4.174 7.109 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.439 -2.044 5.795 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.550 -3.506 8.106 1.00 0.34 C ATOM 0 H ILE A 100 0.725 -5.940 4.998 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.383 -4.098 5.345 1.00 0.36 H new ATOM 0 HB ILE A 100 1.627 -3.722 5.260 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.395 -4.135 7.494 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.894 -5.227 7.028 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.212 -1.603 6.424 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.494 -1.612 4.796 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.541 -1.838 6.226 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.472 -4.010 9.069 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.577 -3.568 7.747 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.268 -2.459 8.220 1.00 0.34 H new ATOM 1586 N VAL A 101 0.426 -3.824 2.595 1.00 0.33 N ATOM 1587 CA VAL A 101 0.407 -3.303 1.234 1.00 0.35 C ATOM 1588 C VAL A 101 -0.850 -3.800 0.509 1.00 0.37 C ATOM 1589 O VAL A 101 -1.481 -3.049 -0.227 1.00 0.45 O ATOM 1590 CB VAL A 101 1.689 -3.696 0.440 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.752 -4.269 1.360 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.379 -4.641 -0.705 1.00 1.32 C ATOM 0 H VAL A 101 1.214 -4.438 2.802 1.00 0.33 H new ATOM 0 HA VAL A 101 0.388 -2.215 1.290 1.00 0.35 H new ATOM 0 HB VAL A 101 2.088 -2.782 -0.000 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.634 -4.534 0.777 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.023 -3.526 2.110 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.364 -5.159 1.855 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.301 -4.889 -1.232 1.00 1.32 H new ATOM 0 HG22 VAL A 101 0.929 -5.553 -0.313 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.685 -4.161 -1.395 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.218 -5.064 0.749 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.407 -5.659 0.137 1.00 0.39 C ATOM 1604 C ALA A 102 -3.668 -4.942 0.586 1.00 0.35 C ATOM 1605 O ALA A 102 -4.541 -4.629 -0.220 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.506 -7.136 0.489 1.00 0.44 C ATOM 0 H ALA A 102 -0.706 -5.695 1.365 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.312 -5.554 -0.944 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.396 -7.562 0.025 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.622 -7.657 0.123 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.572 -7.249 1.571 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.740 -4.683 1.881 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.882 -4.019 2.484 1.00 0.34 C ATOM 1614 C PHE A 103 -5.107 -2.644 1.859 1.00 0.31 C ATOM 1615 O PHE A 103 -6.239 -2.261 1.578 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.668 -3.912 3.999 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.744 -3.154 4.722 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.949 -3.758 5.033 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -5.548 -1.834 5.094 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.937 -3.061 5.698 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -6.533 -1.132 5.759 1.00 1.48 C ATOM 1622 CZ PHE A 103 -7.730 -1.746 6.061 1.00 1.49 C ATOM 0 H PHE A 103 -3.006 -4.928 2.545 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.779 -4.610 2.296 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.604 -4.917 4.417 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.710 -3.427 4.186 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -7.118 -4.787 4.752 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -4.612 -1.348 4.861 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.873 -3.545 5.935 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -6.366 -0.103 6.042 1.00 1.48 H new ATOM 0 HZ PHE A 103 -8.503 -1.199 6.580 1.00 1.49 H new ATOM 1632 N PHE A 104 -4.028 -1.910 1.631 1.00 0.33 N ATOM 1633 CA PHE A 104 -4.131 -0.591 1.023 1.00 0.40 C ATOM 1634 C PHE A 104 -4.276 -0.693 -0.488 1.00 0.39 C ATOM 1635 O PHE A 104 -4.911 0.153 -1.116 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.933 0.274 1.403 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.842 0.492 2.883 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -3.938 0.918 3.604 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -1.647 0.283 3.546 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -3.845 1.132 4.961 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -1.546 0.499 4.902 1.00 2.61 C ATOM 1642 CZ PHE A 104 -2.701 0.862 5.621 1.00 3.29 C ATOM 0 H PHE A 104 -3.077 -2.202 1.856 1.00 0.33 H new ATOM 0 HA PHE A 104 -5.030 -0.111 1.409 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.017 -0.200 1.050 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -3.008 1.238 0.899 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -4.878 1.085 3.099 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.782 -0.054 2.994 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -4.696 1.520 5.501 1.00 2.90 H new ATOM 0 HE2 PHE A 104 -0.597 0.392 5.406 1.00 2.61 H new ATOM 0 HZ PHE A 104 -2.670 0.924 6.699 1.00 3.29 H new ATOM 1652 N SER A 105 -3.698 -1.736 -1.060 1.00 0.37 N ATOM 1653 CA SER A 105 -3.831 -2.000 -2.482 1.00 0.44 C ATOM 1654 C SER A 105 -5.286 -2.283 -2.831 1.00 0.40 C ATOM 1655 O SER A 105 -5.884 -1.594 -3.657 1.00 0.45 O ATOM 1656 CB SER A 105 -2.948 -3.188 -2.880 1.00 0.50 C ATOM 1657 OG SER A 105 -3.065 -3.481 -4.258 1.00 1.19 O ATOM 0 H SER A 105 -3.129 -2.417 -0.557 1.00 0.37 H new ATOM 0 HA SER A 105 -3.506 -1.119 -3.036 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.908 -2.966 -2.641 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.229 -4.064 -2.295 1.00 0.50 H new ATOM 0 HG SER A 105 -3.672 -4.240 -4.381 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.861 -3.275 -2.162 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.234 -3.674 -2.417 1.00 0.37 C ATOM 1665 C PHE A 106 -8.199 -2.654 -1.832 1.00 0.31 C ATOM 1666 O PHE A 106 -9.316 -2.508 -2.302 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.499 -5.056 -1.829 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.746 -5.710 -2.353 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.783 -6.242 -3.631 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.884 -5.789 -1.565 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.930 -6.843 -4.113 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.034 -6.388 -2.043 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.048 -6.922 -3.329 1.00 2.89 C ATOM 0 H PHE A 106 -5.393 -3.818 -1.436 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.390 -3.719 -3.495 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.646 -5.700 -2.041 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.573 -4.971 -0.745 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.905 -6.187 -4.258 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.872 -5.378 -0.566 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.944 -7.252 -5.113 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.917 -6.442 -1.423 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.941 -7.398 -3.707 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.759 -1.948 -0.800 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.553 -0.863 -0.265 1.00 0.28 C ATOM 1685 C GLY A 107 -8.678 0.263 -1.267 1.00 0.24 C ATOM 1686 O GLY A 107 -9.767 0.789 -1.501 1.00 0.27 O ATOM 0 H GLY A 107 -6.870 -2.107 -0.326 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.544 -1.230 0.001 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.095 -0.490 0.651 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.554 0.621 -1.877 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.568 1.600 -2.939 1.00 0.22 C ATOM 1692 C GLY A 108 -8.301 1.076 -4.153 1.00 0.22 C ATOM 1693 O GLY A 108 -8.898 1.836 -4.917 1.00 0.23 O ATOM 0 H GLY A 108 -6.632 0.247 -1.652 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -8.046 2.515 -2.588 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.545 1.860 -3.212 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.258 -0.236 -4.321 1.00 0.24 N ATOM 1698 CA ALA A 109 -8.970 -0.895 -5.395 1.00 0.26 C ATOM 1699 C ALA A 109 -10.465 -0.869 -5.120 1.00 0.27 C ATOM 1700 O ALA A 109 -11.266 -0.720 -6.040 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.478 -2.324 -5.557 1.00 0.29 C ATOM 0 H ALA A 109 -7.731 -0.868 -3.718 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.779 -0.362 -6.326 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.023 -2.807 -6.368 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.413 -2.318 -5.788 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.645 -2.874 -4.631 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.827 -0.966 -3.845 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.222 -0.970 -3.443 1.00 0.28 C ATOM 1709 C LEU A 110 -12.834 0.379 -3.713 1.00 0.24 C ATOM 1710 O LEU A 110 -14.017 0.505 -4.028 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.361 -1.267 -1.969 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.617 -2.046 -1.642 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -13.249 -3.438 -1.186 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -14.460 -1.319 -0.624 1.00 1.12 C ATOM 0 H LEU A 110 -10.167 -1.043 -3.071 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.732 -1.744 -4.016 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.491 -1.832 -1.634 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.366 -0.329 -1.413 1.00 0.32 H new ATOM 0 HG LEU A 110 -14.226 -2.135 -2.542 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -14.156 -3.996 -0.952 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -12.704 -3.949 -1.980 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -12.621 -3.376 -0.297 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -15.355 -1.903 -0.409 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.887 -1.183 0.293 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -14.748 -0.345 -1.019 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.014 1.390 -3.535 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.354 2.731 -3.926 1.00 0.19 C ATOM 1728 C CYS A 111 -12.826 2.728 -5.374 1.00 0.20 C ATOM 1729 O CYS A 111 -13.909 3.217 -5.683 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.129 3.610 -3.747 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.342 5.308 -4.287 1.00 0.22 S ATOM 0 H CYS A 111 -11.090 1.300 -3.113 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.162 3.123 -3.308 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.849 3.610 -2.694 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.298 3.169 -4.298 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.278 5.994 -3.991 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.032 2.117 -6.251 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.421 1.966 -7.644 1.00 0.22 C ATOM 1739 C VAL A 112 -13.662 1.088 -7.760 1.00 0.22 C ATOM 1740 O VAL A 112 -14.531 1.365 -8.576 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.287 1.379 -8.516 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.752 1.183 -9.953 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.084 2.293 -8.498 1.00 0.27 C ATOM 0 H VAL A 112 -11.121 1.722 -6.020 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.641 2.966 -8.017 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.012 0.410 -8.100 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.936 0.769 -10.546 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.598 0.497 -9.971 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.054 2.143 -10.372 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.294 1.867 -9.116 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.364 3.271 -8.890 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.725 2.402 -7.475 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.749 0.046 -6.934 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.932 -0.811 -6.904 1.00 0.28 C ATOM 1755 C GLU A 113 -16.186 0.016 -6.634 1.00 0.23 C ATOM 1756 O GLU A 113 -17.263 -0.274 -7.160 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.784 -1.929 -5.856 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.682 -2.924 -6.199 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.466 -3.987 -5.144 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.198 -4.993 -5.152 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.566 -3.801 -4.298 1.00 2.51 O ATOM 0 H GLU A 113 -13.016 -0.224 -6.278 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.030 -1.281 -7.882 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.574 -1.483 -4.884 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.731 -2.461 -5.764 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.925 -3.409 -7.145 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.749 -2.381 -6.350 1.00 0.53 H new ATOM 1768 N SER A 114 -16.029 1.067 -5.848 1.00 0.18 N ATOM 1769 CA SER A 114 -17.128 1.950 -5.522 1.00 0.19 C ATOM 1770 C SER A 114 -17.366 2.913 -6.674 1.00 0.22 C ATOM 1771 O SER A 114 -18.495 3.137 -7.091 1.00 0.28 O ATOM 1772 CB SER A 114 -16.806 2.712 -4.240 1.00 0.18 C ATOM 1773 OG SER A 114 -16.501 1.814 -3.187 1.00 0.20 O ATOM 0 H SER A 114 -15.140 1.329 -5.421 1.00 0.18 H new ATOM 0 HA SER A 114 -18.035 1.367 -5.363 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.962 3.380 -4.411 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.655 3.335 -3.959 1.00 0.18 H new ATOM 0 HG SER A 114 -15.650 1.367 -3.375 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.279 3.410 -7.233 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.330 4.408 -8.288 1.00 0.27 C ATOM 1781 C VAL A 115 -16.892 3.789 -9.551 1.00 0.28 C ATOM 1782 O VAL A 115 -17.559 4.439 -10.348 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.920 4.954 -8.565 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.927 5.933 -9.716 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.357 5.596 -7.316 1.00 1.10 C ATOM 0 H VAL A 115 -15.333 3.134 -6.969 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.974 5.228 -7.969 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.280 4.119 -8.849 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.915 6.301 -9.887 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.289 5.435 -10.615 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.582 6.771 -9.477 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.358 5.980 -7.523 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.004 6.417 -7.006 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.303 4.855 -6.519 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.618 2.512 -9.688 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.065 1.715 -10.809 1.00 0.34 C ATOM 1797 C ASP A 116 -18.579 1.787 -10.956 1.00 0.35 C ATOM 1798 O ASP A 116 -19.101 2.027 -12.045 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.630 0.280 -10.558 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.872 -0.636 -11.745 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.088 -0.581 -12.714 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.852 -1.405 -11.724 1.00 0.60 O ATOM 0 H ASP A 116 -16.067 1.987 -9.009 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.628 2.093 -11.733 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.569 0.267 -10.308 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.166 -0.109 -9.692 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.275 1.598 -9.841 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.730 1.648 -9.820 1.00 0.35 C ATOM 1809 C LYS A 117 -21.209 3.074 -9.536 1.00 0.34 C ATOM 1810 O LYS A 117 -22.380 3.293 -9.216 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.280 0.696 -8.747 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.345 -0.454 -8.375 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.019 -1.342 -9.559 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.257 -2.585 -9.128 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.835 -3.404 -10.296 1.00 1.62 N ATOM 0 H LYS A 117 -18.850 1.407 -8.934 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.099 1.336 -10.797 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.501 1.272 -7.848 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.224 0.280 -9.099 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.421 -0.048 -7.964 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.806 -1.054 -7.591 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.941 -1.635 -10.061 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.426 -0.783 -10.283 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.379 -2.292 -8.552 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.884 -3.186 -8.469 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -18.363 -4.268 -9.962 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -19.670 -3.661 -10.859 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.176 -2.855 -10.885 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.288 4.030 -9.660 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.567 5.445 -9.415 1.00 0.33 C ATOM 1831 C GLU A 118 -20.985 5.684 -7.969 1.00 0.31 C ATOM 1832 O GLU A 118 -21.913 6.437 -7.680 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.609 5.981 -10.383 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.079 6.062 -11.797 1.00 0.49 C ATOM 1835 CD GLU A 118 -19.990 7.100 -11.975 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -18.827 6.811 -11.622 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -20.289 8.209 -12.462 1.00 1.07 O ATOM 0 H GLU A 118 -19.323 3.844 -9.934 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.642 5.995 -9.589 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.489 5.338 -10.362 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.930 6.971 -10.059 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.691 5.086 -12.088 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.903 6.291 -12.473 1.00 0.49 H new ATOM 1844 N MET A 119 -20.258 5.045 -7.072 1.00 0.26 N ATOM 1845 CA MET A 119 -20.475 5.162 -5.638 1.00 0.26 C ATOM 1846 C MET A 119 -19.237 5.801 -5.036 1.00 0.25 C ATOM 1847 O MET A 119 -18.660 5.326 -4.064 1.00 0.23 O ATOM 1848 CB MET A 119 -20.719 3.780 -5.027 1.00 0.25 C ATOM 1849 CG MET A 119 -21.876 3.029 -5.659 1.00 0.28 C ATOM 1850 SD MET A 119 -22.033 1.350 -5.029 1.00 0.31 S ATOM 1851 CE MET A 119 -20.356 0.769 -5.251 1.00 0.29 C ATOM 0 H MET A 119 -19.490 4.421 -7.320 1.00 0.26 H new ATOM 0 HA MET A 119 -21.353 5.775 -5.431 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.812 3.183 -5.127 1.00 0.25 H new ATOM 0 HB3 MET A 119 -20.910 3.893 -3.960 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.803 3.572 -5.473 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.737 2.997 -6.740 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.365 -0.303 -5.449 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.899 1.289 -6.093 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.780 0.966 -4.347 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.838 6.891 -5.655 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.593 7.567 -5.360 1.00 0.31 C ATOM 1863 C GLN A 120 -17.591 8.207 -3.973 1.00 0.32 C ATOM 1864 O GLN A 120 -16.576 8.731 -3.529 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.342 8.598 -6.439 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.779 8.087 -7.794 1.00 0.36 C ATOM 1867 CD GLN A 120 -19.173 8.557 -8.164 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -19.974 8.907 -7.297 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -19.499 8.489 -9.434 1.00 0.55 N ATOM 0 H GLN A 120 -19.381 7.341 -6.392 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.788 6.832 -5.350 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.881 9.515 -6.202 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.282 8.849 -6.466 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -17.072 8.423 -8.552 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.753 6.997 -7.795 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.807 8.194 -10.123 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -20.444 8.731 -9.732 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.735 8.184 -3.302 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.828 8.682 -1.932 1.00 0.35 C ATOM 1880 C VAL A 121 -18.145 7.729 -0.949 1.00 0.31 C ATOM 1881 O VAL A 121 -17.913 8.074 0.208 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.288 8.873 -1.497 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.967 9.939 -2.342 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.027 7.551 -1.591 1.00 0.38 C ATOM 0 H VAL A 121 -19.612 7.827 -3.682 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.321 9.647 -1.918 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.308 9.212 -0.461 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.000 10.058 -2.016 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.439 10.886 -2.227 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.949 9.639 -3.390 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.063 7.690 -1.282 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.001 7.192 -2.620 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.549 6.820 -0.939 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.829 6.527 -1.418 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.111 5.553 -0.605 1.00 0.21 C ATOM 1896 C LEU A 122 -15.627 5.823 -0.676 1.00 0.19 C ATOM 1897 O LEU A 122 -14.884 5.440 0.215 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.382 4.113 -1.058 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.756 3.537 -0.703 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.101 3.838 0.742 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.828 4.063 -1.638 1.00 0.22 C ATOM 0 H LEU A 122 -18.059 6.204 -2.358 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.468 5.658 0.420 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.261 4.066 -2.140 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.618 3.468 -0.624 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.712 2.455 -0.826 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.081 3.421 0.977 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.351 3.392 1.396 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.120 4.917 0.894 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.793 3.637 -1.362 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.876 5.149 -1.562 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.587 3.781 -2.663 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.211 6.473 -1.751 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.803 6.777 -1.983 1.00 0.20 C ATOM 1915 C VAL A 123 -13.125 7.361 -0.742 1.00 0.22 C ATOM 1916 O VAL A 123 -12.123 6.822 -0.267 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.663 7.743 -3.171 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.235 8.245 -3.315 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.124 7.042 -4.439 1.00 0.23 C ATOM 0 H VAL A 123 -15.835 6.805 -2.486 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.299 5.839 -2.214 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.290 8.616 -2.991 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.172 8.925 -4.164 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.941 8.771 -2.407 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.567 7.399 -3.478 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.028 7.721 -5.286 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.509 6.159 -4.611 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.167 6.743 -4.331 1.00 0.23 H new ATOM 1929 N SER A 124 -13.670 8.442 -0.204 1.00 0.24 N ATOM 1930 CA SER A 124 -13.082 9.064 0.973 1.00 0.28 C ATOM 1931 C SER A 124 -13.363 8.215 2.213 1.00 0.27 C ATOM 1932 O SER A 124 -12.549 8.167 3.136 1.00 0.33 O ATOM 1933 CB SER A 124 -13.615 10.487 1.166 1.00 0.36 C ATOM 1934 OG SER A 124 -12.870 11.182 2.155 1.00 1.35 O ATOM 0 H SER A 124 -14.508 8.902 -0.558 1.00 0.24 H new ATOM 0 HA SER A 124 -12.004 9.126 0.825 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.565 11.029 0.221 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.665 10.449 1.457 1.00 0.36 H new ATOM 0 HG SER A 124 -13.362 11.172 3.002 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.508 7.529 2.216 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.884 6.661 3.328 1.00 0.23 C ATOM 1942 C ARG A 125 -13.868 5.546 3.504 1.00 0.21 C ATOM 1943 O ARG A 125 -13.266 5.404 4.565 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.259 6.038 3.100 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.389 7.040 3.082 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.741 6.358 3.149 1.00 0.55 C ATOM 1947 NE ARG A 125 -18.814 5.346 4.197 1.00 1.44 N ATOM 1948 CZ ARG A 125 -19.917 5.085 4.897 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.046 5.735 4.639 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -19.888 4.158 5.844 1.00 2.67 N ATOM 0 H ARG A 125 -15.190 7.560 1.458 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.913 7.279 4.225 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.250 5.498 2.153 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.449 5.304 3.883 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.283 7.723 3.925 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.329 7.641 2.175 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -19.513 7.108 3.321 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.956 5.894 2.187 1.00 0.55 H new ATOM 0 HE ARG A 125 -17.973 4.808 4.406 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -21.072 6.439 3.901 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -21.887 5.530 5.179 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -19.024 3.649 6.033 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -20.729 3.954 6.383 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.693 4.761 2.451 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.747 3.661 2.454 1.00 0.19 C ATOM 1966 C ILE A 126 -11.378 4.151 2.908 1.00 0.20 C ATOM 1967 O ILE A 126 -10.811 3.615 3.854 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.644 3.017 1.052 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.033 2.555 0.592 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.674 1.846 1.081 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.109 2.112 -0.853 1.00 0.18 C ATOM 0 H ILE A 126 -14.202 4.870 1.574 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.105 2.904 3.151 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.267 3.756 0.345 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.355 1.730 1.228 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.740 3.370 0.745 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.611 1.401 0.088 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.688 2.198 1.385 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.027 1.098 1.791 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.128 1.804 -1.086 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.823 2.939 -1.503 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.431 1.274 -1.013 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.883 5.204 2.263 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.582 5.774 2.602 1.00 0.24 C ATOM 1985 C ALA A 127 -9.507 6.170 4.079 1.00 0.24 C ATOM 1986 O ALA A 127 -8.460 6.036 4.720 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.285 6.976 1.720 1.00 0.27 C ATOM 0 H ALA A 127 -11.365 5.681 1.501 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.829 5.006 2.424 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.312 7.390 1.985 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.276 6.667 0.675 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.054 7.734 1.867 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.617 6.660 4.613 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.700 7.009 6.022 1.00 0.22 C ATOM 1995 C ALA A 128 -10.522 5.777 6.885 1.00 0.23 C ATOM 1996 O ALA A 128 -9.584 5.683 7.678 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.040 7.655 6.332 1.00 0.23 C ATOM 0 H ALA A 128 -11.476 6.825 4.088 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.902 7.718 6.242 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.085 7.910 7.391 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.154 8.560 5.736 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.844 6.959 6.092 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.414 4.824 6.684 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.473 3.628 7.500 1.00 0.35 C ATOM 2005 C TRP A 129 -10.239 2.741 7.288 1.00 0.25 C ATOM 2006 O TRP A 129 -9.897 1.928 8.149 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.762 2.866 7.184 1.00 0.56 C ATOM 2008 CG TRP A 129 -14.008 3.673 7.426 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.943 4.040 6.497 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.453 4.220 8.674 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.935 4.788 7.086 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.658 4.907 8.425 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -13.949 4.196 9.978 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.362 5.561 9.430 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.651 4.846 10.974 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -15.846 5.520 10.697 1.00 3.91 C ATOM 0 H TRP A 129 -12.119 4.859 5.948 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.476 3.918 8.551 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.741 2.548 6.142 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.799 1.962 7.792 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.907 3.779 5.450 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.742 5.188 6.608 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.028 3.679 10.202 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.284 6.083 9.218 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.271 4.834 11.985 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.371 6.018 11.499 1.00 3.91 H new ATOM 2027 N MET A 130 -9.580 2.898 6.142 1.00 0.24 N ATOM 2028 CA MET A 130 -8.331 2.190 5.867 1.00 0.26 C ATOM 2029 C MET A 130 -7.200 2.705 6.746 1.00 0.25 C ATOM 2030 O MET A 130 -6.547 1.931 7.448 1.00 0.29 O ATOM 2031 CB MET A 130 -7.940 2.336 4.401 1.00 0.31 C ATOM 2032 CG MET A 130 -8.792 1.514 3.458 1.00 0.29 C ATOM 2033 SD MET A 130 -8.430 1.870 1.734 1.00 1.08 S ATOM 2034 CE MET A 130 -6.702 1.437 1.677 1.00 0.31 C ATOM 0 H MET A 130 -9.891 3.510 5.388 1.00 0.24 H new ATOM 0 HA MET A 130 -8.497 1.137 6.092 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.011 3.386 4.118 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.897 2.044 4.282 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.626 0.454 3.651 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.845 1.713 3.655 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.354 1.464 0.644 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.129 2.148 2.272 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.565 0.434 2.080 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.974 4.013 6.715 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.883 4.603 7.477 1.00 0.24 C ATOM 2046 C ALA A 131 -6.139 4.485 8.963 1.00 0.24 C ATOM 2047 O ALA A 131 -5.205 4.339 9.743 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.658 6.054 7.096 1.00 0.25 C ATOM 0 H ALA A 131 -7.527 4.679 6.175 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.978 4.047 7.233 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.836 6.462 7.685 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.412 6.118 6.036 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.564 6.627 7.293 1.00 0.25 H new ATOM 2054 N THR A 132 -7.402 4.551 9.357 1.00 0.26 N ATOM 2055 CA THR A 132 -7.753 4.360 10.751 1.00 0.29 C ATOM 2056 C THR A 132 -7.407 2.948 11.210 1.00 0.30 C ATOM 2057 O THR A 132 -6.843 2.758 12.285 1.00 0.32 O ATOM 2058 CB THR A 132 -9.243 4.624 11.007 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.557 5.979 10.664 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.576 4.361 12.469 1.00 0.40 C ATOM 0 H THR A 132 -8.191 4.733 8.737 1.00 0.26 H new ATOM 0 HA THR A 132 -7.171 5.082 11.323 1.00 0.29 H new ATOM 0 HB THR A 132 -9.838 3.953 10.388 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.605 6.067 9.689 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.635 4.551 12.641 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.349 3.323 12.713 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.982 5.020 13.102 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.748 1.956 10.396 0.30 0.30 N ATOM 2069 CA TYR A 133 -7.400 0.576 10.703 0.32 0.32 C ATOM 2070 C TYR A 133 -5.889 0.440 10.857 0.32 0.32 C ATOM 2071 O TYR A 133 -5.402 -0.249 11.753 0.37 0.37 O ATOM 2072 CB TYR A 133 -8.034 -0.319 9.604 0.33 0.33 C ATOM 2073 CG TYR A 133 -7.819 -1.766 9.897 0.93 0.93 C ATOM 2074 CD1 TYR A 133 -6.644 -2.363 9.436 1.29 1.29 C ATOM 2075 CD2 TYR A 133 -8.734 -2.526 10.651 1.72 1.72 C ATOM 2076 CE1 TYR A 133 -6.361 -3.685 9.749 1.93 1.93 C ATOM 2077 CE2 TYR A 133 -8.464 -3.871 10.938 2.40 2.40 C ATOM 2078 CZ TYR A 133 -7.276 -4.453 10.482 2.40 2.40 C ATOM 2079 OH TYR A 133 -7.054 -5.831 10.689 3.13 3.13 O ATOM 0 H TYR A 133 -8.262 2.081 9.524 0.30 0.30 H new ATOM 0 HA TYR A 133 -7.802 0.245 11.661 0.32 0.32 H new ATOM 0 HB2 TYR A 133 -9.102 -0.114 9.536 0.33 0.33 H new ATOM 0 HB3 TYR A 133 -7.599 -0.073 8.635 0.33 0.33 H new ATOM 0 HD1 TYR A 133 -5.952 -1.793 8.833 1.29 1.29 H new ATOM 0 HD2 TYR A 133 -9.646 -2.071 11.009 1.72 1.72 H new ATOM 0 HE1 TYR A 133 -5.429 -4.125 9.426 1.93 1.93 H new ATOM 0 HE2 TYR A 133 -9.170 -4.456 11.509 2.40 2.40 H new ATOM 0 HH TYR A 133 -7.789 -6.205 11.219 3.13 3.13 H new ATOM 2089 N LEU A 134 -5.159 1.098 9.969 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.714 1.201 10.083 1.00 0.30 C ATOM 2091 C LEU A 134 -3.348 1.832 11.425 1.00 0.32 C ATOM 2092 O LEU A 134 -2.638 1.238 12.232 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.173 2.017 8.890 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.737 2.550 8.976 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.838 1.621 9.732 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -1.157 2.794 7.591 1.00 0.88 C ATOM 0 H LEU A 134 -5.549 1.572 9.155 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.255 0.213 10.052 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.245 1.394 7.999 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.837 2.868 8.739 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.790 3.495 9.516 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.168 2.038 9.768 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.215 1.495 10.747 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -0.812 0.653 9.232 1.00 0.95 H new ATOM 0 HD21 LEU A 134 -0.139 3.171 7.684 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.148 1.859 7.031 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.769 3.527 7.064 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.855 3.020 11.635 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.668 3.762 12.887 1.00 0.35 C ATOM 2110 C ASN A 135 -3.880 2.890 14.125 1.00 0.38 C ATOM 2111 O ASN A 135 -2.998 2.788 14.978 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.634 4.951 12.941 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.034 6.234 12.406 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.480 7.036 13.156 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.126 6.434 11.104 1.00 0.34 N ATOM 0 H ASN A 135 -4.417 3.517 10.944 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.635 4.108 12.897 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.529 4.710 12.367 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.949 5.108 13.973 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.730 7.277 10.688 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.593 5.746 10.514 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.040 2.254 14.214 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.400 1.503 15.408 1.00 0.42 C ATOM 2124 C ASP A 136 -4.669 0.167 15.480 1.00 0.40 C ATOM 2125 O ASP A 136 -4.010 -0.141 16.470 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.915 1.270 15.437 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.354 0.379 16.582 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.478 0.879 17.718 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.598 -0.824 16.348 1.00 0.58 O ATOM 0 H ASP A 136 -5.745 2.243 13.477 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.100 2.092 16.275 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.424 2.231 15.516 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.226 0.821 14.494 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.779 -0.609 14.419 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.334 -1.999 14.428 1.00 0.38 C ATOM 2136 C HIS A 137 -2.891 -2.160 13.961 1.00 0.35 C ATOM 2137 O HIS A 137 -2.074 -2.805 14.615 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.249 -2.808 13.517 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.007 -3.891 14.224 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -5.440 -5.086 14.600 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.301 -3.953 14.616 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -6.349 -5.839 15.188 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.487 -5.176 15.212 1.00 1.34 N ATOM 0 H HIS A 137 -5.175 -0.302 13.531 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.380 -2.356 15.457 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.959 -2.133 13.040 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.651 -3.255 12.723 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -8.048 -3.184 14.485 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -6.188 -6.831 15.583 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -8.363 -5.516 15.609 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.598 -1.565 12.822 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.374 -1.817 12.089 1.00 0.29 C ATOM 2154 C LEU A 138 -0.157 -1.137 12.686 1.00 0.27 C ATOM 2155 O LEU A 138 0.896 -1.752 12.814 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.580 -1.279 10.699 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.725 -2.288 9.590 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.454 -3.542 10.055 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.455 -1.626 8.441 1.00 1.20 C ATOM 0 H LEU A 138 -3.211 -0.884 12.374 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.178 -2.889 12.115 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.473 -0.653 10.707 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.738 -0.630 10.459 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.736 -2.613 9.267 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.537 -4.243 9.225 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.896 -4.007 10.868 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.451 -3.275 10.405 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.572 -2.339 7.625 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.438 -1.295 8.777 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -1.882 -0.767 8.093 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.311 0.141 13.001 1.00 0.30 N ATOM 2172 CA GLU A 139 0.805 0.998 13.401 1.00 0.31 C ATOM 2173 C GLU A 139 1.739 0.323 14.420 1.00 0.30 C ATOM 2174 O GLU A 139 2.946 0.268 14.185 1.00 0.30 O ATOM 2175 CB GLU A 139 0.289 2.332 13.944 1.00 0.38 C ATOM 2176 CG GLU A 139 1.323 3.438 13.898 1.00 0.40 C ATOM 2177 CD GLU A 139 0.866 4.688 14.616 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.037 5.430 14.058 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.332 4.932 15.749 1.00 0.61 O ATOM 0 H GLU A 139 -1.213 0.617 12.988 1.00 0.30 H new ATOM 0 HA GLU A 139 1.399 1.182 12.505 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.585 2.637 13.368 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.040 2.194 14.974 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.250 3.083 14.348 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.545 3.680 12.859 1.00 0.40 H new ATOM 2186 N PRO A 140 1.217 -0.218 15.551 1.00 0.32 N ATOM 2187 CA PRO A 140 2.060 -0.903 16.539 1.00 0.34 C ATOM 2188 C PRO A 140 2.809 -2.079 15.922 1.00 0.32 C ATOM 2189 O PRO A 140 4.009 -2.253 16.137 1.00 0.34 O ATOM 2190 CB PRO A 140 1.065 -1.403 17.592 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.150 -0.565 17.414 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.204 -0.219 15.956 1.00 0.36 C ATOM 0 HA PRO A 140 2.826 -0.243 16.947 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.838 -2.459 17.448 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.471 -1.298 18.598 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.045 -1.106 17.720 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.096 0.335 18.027 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.782 -0.950 15.391 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.670 0.753 15.791 1.00 0.36 H new ATOM 2200 N TRP A 141 2.080 -2.865 15.141 1.00 0.31 N ATOM 2201 CA TRP A 141 2.629 -4.028 14.450 1.00 0.32 C ATOM 2202 C TRP A 141 3.770 -3.621 13.526 1.00 0.31 C ATOM 2203 O TRP A 141 4.856 -4.186 13.580 1.00 0.36 O ATOM 2204 CB TRP A 141 1.523 -4.687 13.637 1.00 0.35 C ATOM 2205 CG TRP A 141 1.444 -6.163 13.814 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.034 -7.111 13.036 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.727 -6.862 14.834 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.705 -8.360 13.494 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.914 -8.235 14.603 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.058 -6.460 15.917 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.344 -9.211 15.415 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.621 -7.428 16.724 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.418 -8.791 16.470 1.00 1.20 C ATOM 0 H TRP A 141 1.086 -2.715 14.967 1.00 0.31 H new ATOM 0 HA TRP A 141 3.021 -4.727 15.189 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.567 -4.245 13.917 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.680 -4.465 12.581 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.667 -6.909 12.185 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.002 -9.241 13.075 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.221 -5.412 16.119 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.498 -10.262 15.219 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.228 -7.130 17.566 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -0.872 -9.524 17.120 1.00 1.20 H new ATOM 2224 N ILE A 142 3.499 -2.639 12.677 1.00 0.26 N ATOM 2225 CA ILE A 142 4.498 -2.056 11.786 1.00 0.26 C ATOM 2226 C ILE A 142 5.805 -1.768 12.514 1.00 0.29 C ATOM 2227 O ILE A 142 6.879 -2.181 12.072 1.00 0.32 O ATOM 2228 CB ILE A 142 3.946 -0.747 11.204 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.813 -1.060 10.240 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.037 0.065 10.525 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.915 0.115 9.991 1.00 0.26 C ATOM 0 H ILE A 142 2.574 -2.220 12.585 1.00 0.26 H new ATOM 0 HA ILE A 142 4.706 -2.774 10.993 1.00 0.26 H new ATOM 0 HB ILE A 142 3.560 -0.137 12.020 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.232 -1.397 9.292 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.222 -1.884 10.638 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.610 0.985 10.125 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.813 0.311 11.250 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.471 -0.517 9.712 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.126 -0.171 9.295 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.469 0.438 10.932 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.496 0.933 9.565 1.00 0.26 H new ATOM 2243 N GLN A 143 5.702 -1.051 13.620 1.00 0.30 N ATOM 2244 CA GLN A 143 6.864 -0.685 14.416 1.00 0.35 C ATOM 2245 C GLN A 143 7.630 -1.925 14.887 1.00 0.39 C ATOM 2246 O GLN A 143 8.859 -1.908 14.969 1.00 0.43 O ATOM 2247 CB GLN A 143 6.431 0.159 15.609 1.00 0.41 C ATOM 2248 CG GLN A 143 5.603 1.373 15.219 1.00 0.43 C ATOM 2249 CD GLN A 143 6.367 2.370 14.368 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.587 2.500 14.475 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.650 3.091 13.521 1.00 0.52 N ATOM 0 H GLN A 143 4.816 -0.707 13.991 1.00 0.30 H new ATOM 0 HA GLN A 143 7.536 -0.099 13.789 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.853 -0.462 16.293 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.317 0.491 16.151 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.719 1.042 14.674 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.252 1.871 16.123 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.641 2.954 13.462 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.106 3.784 12.928 1.00 0.52 H new ATOM 2260 N GLU A 144 6.903 -3.007 15.171 1.00 0.40 N ATOM 2261 CA GLU A 144 7.513 -4.272 15.568 1.00 0.47 C ATOM 2262 C GLU A 144 8.360 -4.848 14.444 1.00 0.48 C ATOM 2263 O GLU A 144 9.266 -5.645 14.676 1.00 0.55 O ATOM 2264 CB GLU A 144 6.422 -5.274 15.919 1.00 0.51 C ATOM 2265 CG GLU A 144 5.505 -4.805 17.021 1.00 0.52 C ATOM 2266 CD GLU A 144 6.124 -4.952 18.395 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.058 -6.061 18.966 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.672 -3.956 18.913 1.00 0.67 O ATOM 0 H GLU A 144 5.884 -3.029 15.132 1.00 0.40 H new ATOM 0 HA GLU A 144 8.152 -4.084 16.431 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.830 -5.481 15.028 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.886 -6.214 16.219 1.00 0.51 H new ATOM 0 HG2 GLU A 144 5.246 -3.760 16.853 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.576 -5.374 16.982 1.00 0.52 H new ATOM 2275 N ASN A 145 8.054 -4.435 13.229 1.00 0.44 N ATOM 2276 CA ASN A 145 8.679 -4.997 12.041 1.00 0.48 C ATOM 2277 C ASN A 145 9.763 -4.059 11.545 1.00 0.47 C ATOM 2278 O ASN A 145 10.518 -4.384 10.628 1.00 0.57 O ATOM 2279 CB ASN A 145 7.639 -5.244 10.934 1.00 0.49 C ATOM 2280 CG ASN A 145 6.590 -6.288 11.306 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.220 -6.343 12.578 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.106 -7.025 10.450 1.00 0.54 N flip ATOM 0 H ASN A 145 7.369 -3.704 13.035 1.00 0.44 H new ATOM 0 HA ASN A 145 9.123 -5.957 12.303 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.138 -4.304 10.701 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.154 -5.564 10.028 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.416 -6.953 9.481 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.394 -7.708 10.709 1.00 0.54 H new ATOM 2289 N GLY A 146 9.825 -2.889 12.160 1.00 0.42 N ATOM 2290 CA GLY A 146 10.852 -1.934 11.831 1.00 0.45 C ATOM 2291 C GLY A 146 10.316 -0.527 11.677 1.00 0.44 C ATOM 2292 O GLY A 146 10.964 0.440 12.072 1.00 0.56 O ATOM 0 H GLY A 146 9.176 -2.585 12.886 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.615 -1.944 12.610 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.339 -2.236 10.904 1.00 0.45 H new ATOM 2296 N GLY A 147 9.124 -0.414 11.118 1.00 0.36 N ATOM 2297 CA GLY A 147 8.554 0.888 10.834 1.00 0.36 C ATOM 2298 C GLY A 147 8.278 1.052 9.357 1.00 0.38 C ATOM 2299 O GLY A 147 8.629 0.176 8.566 1.00 0.49 O ATOM 0 H GLY A 147 8.536 -1.204 10.854 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.628 1.013 11.396 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.238 1.668 11.168 1.00 0.36 H new ATOM 2303 N TRP A 148 7.665 2.162 8.972 1.00 0.35 N ATOM 2304 CA TRP A 148 7.290 2.379 7.580 1.00 0.37 C ATOM 2305 C TRP A 148 8.519 2.541 6.694 1.00 0.38 C ATOM 2306 O TRP A 148 8.518 2.118 5.536 1.00 0.40 O ATOM 2307 CB TRP A 148 6.381 3.597 7.446 1.00 0.39 C ATOM 2308 CG TRP A 148 5.008 3.387 8.000 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.099 2.456 7.591 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.379 4.132 9.046 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.943 2.577 8.320 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.091 3.595 9.223 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.778 5.198 9.855 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.201 4.088 10.170 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.894 5.686 10.795 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.618 5.131 10.948 1.00 3.32 C ATOM 0 H TRP A 148 7.417 2.925 9.601 1.00 0.35 H new ATOM 0 HA TRP A 148 6.744 1.497 7.247 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.843 4.442 7.956 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.301 3.865 6.393 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.265 1.730 6.808 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.108 2.002 8.207 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.761 5.633 9.747 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.215 3.662 10.287 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.192 6.511 11.424 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.951 5.535 11.695 1.00 3.32 H new ATOM 2327 N ASP A 149 9.570 3.139 7.245 1.00 0.42 N ATOM 2328 CA ASP A 149 10.827 3.313 6.518 1.00 0.47 C ATOM 2329 C ASP A 149 11.380 1.961 6.092 1.00 0.47 C ATOM 2330 O ASP A 149 11.882 1.801 4.980 1.00 0.52 O ATOM 2331 CB ASP A 149 11.856 4.045 7.384 1.00 0.56 C ATOM 2332 CG ASP A 149 11.455 5.475 7.678 1.00 1.23 C ATOM 2333 OD1 ASP A 149 10.773 5.706 8.699 1.00 1.96 O ATOM 2334 OD2 ASP A 149 11.829 6.374 6.894 1.00 1.72 O ATOM 0 H ASP A 149 9.578 3.513 8.194 1.00 0.42 H new ATOM 0 HA ASP A 149 10.627 3.913 5.630 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.984 3.507 8.323 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.822 4.039 6.879 1.00 0.56 H new ATOM 2339 N THR A 150 11.260 0.991 6.986 1.00 0.47 N ATOM 2340 CA THR A 150 11.684 -0.373 6.722 1.00 0.51 C ATOM 2341 C THR A 150 11.027 -0.950 5.470 1.00 0.50 C ATOM 2342 O THR A 150 11.658 -1.685 4.716 1.00 0.56 O ATOM 2343 CB THR A 150 11.364 -1.282 7.919 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.143 -0.888 9.055 1.00 0.62 O ATOM 2345 CG2 THR A 150 11.634 -2.735 7.573 1.00 0.67 C ATOM 0 H THR A 150 10.865 1.129 7.916 1.00 0.47 H new ATOM 0 HA THR A 150 12.761 -0.338 6.559 1.00 0.51 H new ATOM 0 HB THR A 150 10.307 -1.179 8.162 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.708 -1.637 9.340 1.00 0.62 H new ATOM 0 HG21 THR A 150 11.402 -3.363 8.433 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.010 -3.030 6.729 1.00 0.67 H new ATOM 0 HG23 THR A 150 12.684 -2.857 7.308 1.00 0.67 H new ATOM 2353 N PHE A 151 9.767 -0.620 5.239 1.00 0.45 N ATOM 2354 CA PHE A 151 9.065 -1.154 4.082 1.00 0.47 C ATOM 2355 C PHE A 151 9.752 -0.713 2.795 1.00 0.48 C ATOM 2356 O PHE A 151 9.893 -1.493 1.854 1.00 0.55 O ATOM 2357 CB PHE A 151 7.602 -0.707 4.060 1.00 0.47 C ATOM 2358 CG PHE A 151 6.718 -1.331 5.109 1.00 1.18 C ATOM 2359 CD1 PHE A 151 6.962 -1.102 6.454 1.00 1.80 C ATOM 2360 CD2 PHE A 151 5.666 -2.158 4.759 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.170 -1.678 7.428 1.00 2.65 C ATOM 2362 CE2 PHE A 151 4.870 -2.742 5.729 1.00 2.61 C ATOM 2363 CZ PHE A 151 5.054 -2.468 7.025 1.00 3.00 C ATOM 0 H PHE A 151 9.216 0.005 5.827 1.00 0.45 H new ATOM 0 HA PHE A 151 9.091 -2.241 4.155 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.569 0.376 4.179 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.186 -0.932 3.078 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.783 -0.464 6.745 1.00 1.80 H new ATOM 0 HD2 PHE A 151 5.463 -2.350 3.716 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.392 -1.533 8.475 1.00 2.65 H new ATOM 0 HE2 PHE A 151 4.090 -3.428 5.435 1.00 2.61 H new ATOM 0 HZ PHE A 151 4.360 -2.843 7.763 1.00 3.00 H new ATOM 2373 N VAL A 152 10.199 0.536 2.771 1.00 0.45 N ATOM 2374 CA VAL A 152 10.915 1.062 1.619 1.00 0.49 C ATOM 2375 C VAL A 152 12.339 0.513 1.594 1.00 0.57 C ATOM 2376 O VAL A 152 12.956 0.398 0.535 1.00 0.64 O ATOM 2377 CB VAL A 152 10.880 2.619 1.552 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.105 3.191 2.719 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.266 3.240 1.486 1.00 0.91 C ATOM 0 H VAL A 152 10.078 1.201 3.535 1.00 0.45 H new ATOM 0 HA VAL A 152 10.402 0.721 0.720 1.00 0.49 H new ATOM 0 HB VAL A 152 10.371 2.875 0.623 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.094 4.279 2.651 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.082 2.816 2.695 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.580 2.891 3.653 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.177 4.325 1.441 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.833 2.959 2.373 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.783 2.881 0.596 1.00 0.91 H new ATOM 2389 N GLU A 153 12.852 0.158 2.766 1.00 0.59 N ATOM 2390 CA GLU A 153 14.123 -0.544 2.855 1.00 0.69 C ATOM 2391 C GLU A 153 14.068 -1.852 2.066 1.00 0.70 C ATOM 2392 O GLU A 153 15.080 -2.315 1.541 1.00 0.80 O ATOM 2393 CB GLU A 153 14.486 -0.848 4.306 1.00 0.76 C ATOM 2394 CG GLU A 153 14.766 0.390 5.125 1.00 0.80 C ATOM 2395 CD GLU A 153 15.089 0.079 6.570 1.00 1.31 C ATOM 2396 OE1 GLU A 153 15.581 -1.034 6.849 1.00 1.58 O ATOM 2397 OE2 GLU A 153 14.832 0.941 7.442 1.00 1.67 O ATOM 0 H GLU A 153 12.407 0.345 3.665 1.00 0.59 H new ATOM 0 HA GLU A 153 14.887 0.107 2.430 1.00 0.69 H new ATOM 0 HB2 GLU A 153 13.670 -1.404 4.768 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.364 -1.494 4.326 1.00 0.76 H new ATOM 0 HG2 GLU A 153 15.600 0.933 4.680 1.00 0.80 H new ATOM 0 HG3 GLU A 153 13.899 1.049 5.085 1.00 0.80 H new ATOM 2404 N LEU A 154 12.876 -2.444 1.989 1.00 0.67 N ATOM 2405 CA LEU A 154 12.704 -3.729 1.323 1.00 0.72 C ATOM 2406 C LEU A 154 12.178 -3.543 -0.100 1.00 0.74 C ATOM 2407 O LEU A 154 12.795 -3.985 -1.065 1.00 0.83 O ATOM 2408 CB LEU A 154 11.727 -4.630 2.099 1.00 0.72 C ATOM 2409 CG LEU A 154 11.765 -4.532 3.630 1.00 0.83 C ATOM 2410 CD1 LEU A 154 10.940 -5.641 4.259 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.183 -4.580 4.161 1.00 1.14 C ATOM 0 H LEU A 154 12.019 -2.053 2.380 1.00 0.67 H new ATOM 0 HA LEU A 154 13.684 -4.205 1.289 1.00 0.72 H new ATOM 0 HB2 LEU A 154 10.715 -4.398 1.768 1.00 0.72 H new ATOM 0 HB3 LEU A 154 11.924 -5.665 1.820 1.00 0.72 H new ATOM 0 HG LEU A 154 11.335 -3.568 3.902 1.00 0.83 H new ATOM 0 HD11 LEU A 154 10.980 -5.553 5.345 1.00 1.30 H new ATOM 0 HD12 LEU A 154 9.905 -5.558 3.926 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.341 -6.609 3.958 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.167 -4.508 5.248 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.650 -5.520 3.867 1.00 1.14 H new ATOM 0 HD23 LEU A 154 13.754 -3.747 3.751 1.00 1.14 H new ATOM 2423 N TYR A 155 11.038 -2.874 -0.220 1.00 0.69 N ATOM 2424 CA TYR A 155 10.348 -2.740 -1.499 1.00 0.78 C ATOM 2425 C TYR A 155 10.197 -1.284 -1.887 1.00 0.77 C ATOM 2426 O TYR A 155 9.262 -0.911 -2.597 1.00 1.15 O ATOM 2427 CB TYR A 155 8.970 -3.396 -1.430 1.00 0.86 C ATOM 2428 CG TYR A 155 8.929 -4.781 -2.023 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.259 -5.895 -1.266 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.559 -4.971 -3.348 1.00 2.24 C ATOM 2431 CE1 TYR A 155 9.222 -7.162 -1.812 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.518 -6.234 -3.900 1.00 3.16 C ATOM 2433 CZ TYR A 155 8.851 -7.325 -3.129 1.00 3.24 C ATOM 2434 OH TYR A 155 8.804 -8.586 -3.673 1.00 4.24 O ATOM 0 H TYR A 155 10.568 -2.412 0.559 1.00 0.69 H new ATOM 0 HA TYR A 155 10.950 -3.241 -2.257 1.00 0.78 H new ATOM 0 HB2 TYR A 155 8.653 -3.447 -0.388 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.250 -2.765 -1.952 1.00 0.86 H new ATOM 0 HD1 TYR A 155 9.549 -5.769 -0.233 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.299 -4.117 -3.955 1.00 2.24 H new ATOM 0 HE1 TYR A 155 9.482 -8.021 -1.211 1.00 2.65 H new ATOM 0 HE2 TYR A 155 8.226 -6.367 -4.931 1.00 3.16 H new ATOM 0 HH TYR A 155 9.692 -8.997 -3.623 1.00 4.24 H new ATOM 2444 N GLY A 156 11.126 -0.466 -1.427 1.00 0.66 N ATOM 2445 CA GLY A 156 11.075 0.945 -1.722 1.00 0.64 C ATOM 2446 C GLY A 156 11.195 1.234 -3.187 1.00 0.78 C ATOM 2447 O GLY A 156 11.709 0.421 -3.962 1.00 1.10 O ATOM 0 H GLY A 156 11.917 -0.756 -0.852 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.136 1.356 -1.350 1.00 0.64 H new ATOM 0 HA3 GLY A 156 11.879 1.453 -1.189 1.00 0.64 H new ATOM 2451 N ASN A 157 10.705 2.392 -3.549 1.00 0.70 N ATOM 2452 CA ASN A 157 10.823 2.912 -4.887 1.00 0.80 C ATOM 2453 C ASN A 157 12.294 2.920 -5.302 1.00 1.14 C ATOM 2454 O ASN A 157 13.104 3.633 -4.716 1.00 1.29 O ATOM 2455 CB ASN A 157 10.261 4.319 -4.872 1.00 0.70 C ATOM 2456 CG ASN A 157 10.099 4.923 -6.250 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.028 5.516 -6.792 1.00 0.88 O ATOM 2458 ND2 ASN A 157 8.911 4.789 -6.819 1.00 0.76 N ATOM 0 H ASN A 157 10.204 3.011 -2.911 1.00 0.70 H new ATOM 0 HA ASN A 157 10.277 2.298 -5.603 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.292 4.309 -4.373 1.00 0.70 H new ATOM 0 HB3 ASN A 157 10.917 4.957 -4.280 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.740 5.186 -7.743 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.167 4.288 -6.334 1.00 0.76 H new ATOM 2465 N ASN A 158 12.647 2.110 -6.285 1.00 1.40 N ATOM 2466 CA ASN A 158 14.051 1.922 -6.627 1.00 1.79 C ATOM 2467 C ASN A 158 14.497 2.900 -7.707 1.00 1.93 C ATOM 2468 O ASN A 158 15.649 2.869 -8.131 1.00 2.18 O ATOM 2469 CB ASN A 158 14.318 0.472 -7.069 1.00 2.11 C ATOM 2470 CG ASN A 158 14.349 0.289 -8.573 1.00 2.55 C ATOM 2471 OD1 ASN A 158 13.312 0.182 -9.226 1.00 2.99 O ATOM 2472 ND2 ASN A 158 15.551 0.207 -9.124 1.00 2.94 N ATOM 0 H ASN A 158 11.992 1.576 -6.856 1.00 1.40 H new ATOM 0 HA ASN A 158 14.637 2.124 -5.730 1.00 1.79 H new ATOM 0 HB2 ASN A 158 15.270 0.144 -6.652 1.00 2.11 H new ATOM 0 HB3 ASN A 158 13.547 -0.174 -6.649 1.00 2.11 H new ATOM 0 HD21 ASN A 158 15.642 0.049 -10.128 1.00 2.94 H new ATOM 0 HD22 ASN A 158 16.385 0.302 -8.545 1.00 2.94 H new ATOM 2479 N ALA A 159 13.595 3.783 -8.124 1.00 1.86 N ATOM 2480 CA ALA A 159 13.900 4.750 -9.177 1.00 2.10 C ATOM 2481 C ALA A 159 15.164 5.537 -8.849 1.00 2.25 C ATOM 2482 O ALA A 159 16.012 5.753 -9.716 1.00 2.52 O ATOM 2483 CB ALA A 159 12.728 5.694 -9.394 1.00 2.14 C ATOM 0 H ALA A 159 12.648 3.850 -7.751 1.00 1.86 H new ATOM 0 HA ALA A 159 14.075 4.197 -10.100 1.00 2.10 H new ATOM 0 HB1 ALA A 159 12.975 6.406 -10.182 1.00 2.14 H new ATOM 0 HB2 ALA A 159 11.848 5.121 -9.686 1.00 2.14 H new ATOM 0 HB3 ALA A 159 12.519 6.233 -8.470 1.00 2.14 H new ATOM 2489 N ALA A 160 15.296 5.948 -7.593 1.00 2.17 N ATOM 2490 CA ALA A 160 16.491 6.647 -7.138 1.00 2.44 C ATOM 2491 C ALA A 160 17.691 5.703 -7.095 1.00 2.55 C ATOM 2492 O ALA A 160 18.803 6.085 -7.454 1.00 2.87 O ATOM 2493 CB ALA A 160 16.250 7.267 -5.773 1.00 2.45 C ATOM 0 H ALA A 160 14.589 5.809 -6.871 1.00 2.17 H new ATOM 0 HA ALA A 160 16.714 7.443 -7.848 1.00 2.44 H new ATOM 0 HB1 ALA A 160 17.151 7.786 -5.445 1.00 2.45 H new ATOM 0 HB2 ALA A 160 15.425 7.977 -5.836 1.00 2.45 H new ATOM 0 HB3 ALA A 160 16.001 6.484 -5.057 1.00 2.45 H new ATOM 2499 N ALA A 161 17.447 4.466 -6.668 1.00 2.37 N ATOM 2500 CA ALA A 161 18.490 3.443 -6.588 1.00 2.60 C ATOM 2501 C ALA A 161 19.202 3.279 -7.926 1.00 2.85 C ATOM 2502 O ALA A 161 20.406 3.506 -8.033 1.00 3.20 O ATOM 2503 CB ALA A 161 17.891 2.111 -6.156 1.00 2.50 C ATOM 0 H ALA A 161 16.526 4.145 -6.369 1.00 2.37 H new ATOM 0 HA ALA A 161 19.221 3.766 -5.847 1.00 2.60 H new ATOM 0 HB1 ALA A 161 18.678 1.359 -6.101 1.00 2.50 H new ATOM 0 HB2 ALA A 161 17.426 2.222 -5.177 1.00 2.50 H new ATOM 0 HB3 ALA A 161 17.140 1.797 -6.881 1.00 2.50 H new ATOM 2509 N GLU A 162 18.438 2.900 -8.942 1.00 2.76 N ATOM 2510 CA GLU A 162 18.968 2.704 -10.281 1.00 3.08 C ATOM 2511 C GLU A 162 19.506 4.004 -10.869 1.00 3.31 C ATOM 2512 O GLU A 162 20.487 3.996 -11.608 1.00 3.67 O ATOM 2513 CB GLU A 162 17.889 2.119 -11.185 1.00 3.06 C ATOM 2514 CG GLU A 162 16.517 2.725 -10.961 1.00 3.25 C ATOM 2515 CD GLU A 162 15.470 2.171 -11.897 1.00 3.48 C ATOM 2516 OE1 GLU A 162 15.194 0.955 -11.830 1.00 3.71 O ATOM 2517 OE2 GLU A 162 14.912 2.951 -12.697 1.00 3.72 O ATOM 0 H GLU A 162 17.437 2.721 -8.860 1.00 2.76 H new ATOM 0 HA GLU A 162 19.802 2.005 -10.215 1.00 3.08 H new ATOM 0 HB2 GLU A 162 18.178 2.268 -12.225 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.833 1.043 -11.021 1.00 3.06 H new ATOM 0 HG2 GLU A 162 16.209 2.544 -9.931 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.577 3.806 -11.090 1.00 3.25 H new ATOM 2524 N SER A 163 18.874 5.120 -10.526 1.00 3.19 N ATOM 2525 CA SER A 163 19.324 6.420 -10.998 1.00 3.52 C ATOM 2526 C SER A 163 20.740 6.701 -10.506 1.00 3.81 C ATOM 2527 O SER A 163 21.608 7.120 -11.272 1.00 4.18 O ATOM 2528 CB SER A 163 18.373 7.521 -10.523 1.00 3.44 C ATOM 2529 OG SER A 163 18.881 8.808 -10.829 1.00 3.87 O ATOM 0 H SER A 163 18.051 5.149 -9.924 1.00 3.19 H new ATOM 0 HA SER A 163 19.327 6.409 -12.088 1.00 3.52 H new ATOM 0 HB2 SER A 163 17.399 7.391 -10.994 1.00 3.44 H new ATOM 0 HB3 SER A 163 18.221 7.434 -9.447 1.00 3.44 H new ATOM 0 HG SER A 163 18.149 9.460 -10.818 1.00 3.87 H new ATOM 2535 N ARG A 164 20.974 6.448 -9.225 1.00 3.70 N ATOM 2536 CA ARG A 164 22.282 6.673 -8.629 1.00 4.07 C ATOM 2537 C ARG A 164 23.230 5.530 -8.972 1.00 4.24 C ATOM 2538 O ARG A 164 24.434 5.623 -8.763 1.00 4.61 O ATOM 2539 CB ARG A 164 22.171 6.837 -7.107 1.00 4.05 C ATOM 2540 CG ARG A 164 21.734 8.228 -6.644 1.00 4.12 C ATOM 2541 CD ARG A 164 20.384 8.633 -7.218 1.00 4.41 C ATOM 2542 NE ARG A 164 19.878 9.875 -6.635 1.00 4.73 N ATOM 2543 CZ ARG A 164 19.070 10.727 -7.269 1.00 5.32 C ATOM 2544 NH1 ARG A 164 18.736 10.516 -8.539 1.00 5.65 N ATOM 2545 NH2 ARG A 164 18.601 11.795 -6.635 1.00 5.82 N ATOM 0 H ARG A 164 20.273 6.086 -8.579 1.00 3.70 H new ATOM 0 HA ARG A 164 22.687 7.597 -9.042 1.00 4.07 H new ATOM 0 HB2 ARG A 164 21.461 6.103 -6.727 1.00 4.05 H new ATOM 0 HB3 ARG A 164 23.138 6.607 -6.659 1.00 4.05 H new ATOM 0 HG2 ARG A 164 21.683 8.246 -5.555 1.00 4.12 H new ATOM 0 HG3 ARG A 164 22.486 8.959 -6.940 1.00 4.12 H new ATOM 0 HD2 ARG A 164 20.473 8.752 -8.298 1.00 4.41 H new ATOM 0 HD3 ARG A 164 19.664 7.834 -7.043 1.00 4.41 H new ATOM 0 HE ARG A 164 20.161 10.105 -5.682 1.00 4.73 H new ATOM 0 HH11 ARG A 164 19.098 9.700 -9.033 1.00 5.65 H new ATOM 0 HH12 ARG A 164 18.118 11.170 -9.019 1.00 5.65 H new ATOM 0 HH21 ARG A 164 18.858 11.965 -5.663 1.00 5.82 H new ATOM 0 HH22 ARG A 164 17.983 12.446 -7.120 1.00 5.82 H new ATOM 2559 N LYS A 165 22.672 4.463 -9.518 1.00 4.03 N ATOM 2560 CA LYS A 165 23.445 3.290 -9.903 1.00 4.26 C ATOM 2561 C LYS A 165 24.042 3.482 -11.294 1.00 4.49 C ATOM 2562 O LYS A 165 25.221 3.206 -11.522 1.00 4.77 O ATOM 2563 CB LYS A 165 22.547 2.053 -9.888 1.00 4.10 C ATOM 2564 CG LYS A 165 23.285 0.743 -10.103 1.00 4.47 C ATOM 2565 CD LYS A 165 22.319 -0.427 -10.157 1.00 4.47 C ATOM 2566 CE LYS A 165 21.474 -0.513 -8.895 1.00 4.43 C ATOM 2567 NZ LYS A 165 20.472 -1.607 -8.966 1.00 4.72 N ATOM 0 H LYS A 165 21.673 4.383 -9.707 1.00 4.03 H new ATOM 0 HA LYS A 165 24.258 3.154 -9.190 1.00 4.26 H new ATOM 0 HB2 LYS A 165 22.024 2.009 -8.933 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.788 2.160 -10.662 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.855 0.791 -11.031 1.00 4.47 H new ATOM 0 HG3 LYS A 165 24.002 0.590 -9.296 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.668 -0.323 -11.025 1.00 4.47 H new ATOM 0 HD3 LYS A 165 22.877 -1.355 -10.286 1.00 4.47 H new ATOM 0 HE2 LYS A 165 22.124 -0.673 -8.035 1.00 4.43 H new ATOM 0 HE3 LYS A 165 20.963 0.436 -8.736 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 19.919 -1.629 -8.086 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 19.835 -1.442 -9.771 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 20.960 -2.517 -9.091 1.00 4.72 H new ATOM 2581 N GLY A 166 23.217 3.968 -12.216 1.00 4.45 N ATOM 2582 CA GLY A 166 23.659 4.187 -13.579 1.00 4.72 C ATOM 2583 C GLY A 166 24.739 5.245 -13.675 1.00 4.91 C ATOM 2584 O GLY A 166 25.736 5.062 -14.370 1.00 5.10 O ATOM 0 H GLY A 166 22.243 4.215 -12.040 1.00 4.45 H new ATOM 0 HA2 GLY A 166 24.035 3.250 -13.991 1.00 4.72 H new ATOM 0 HA3 GLY A 166 22.807 4.485 -14.190 1.00 4.72 H new ATOM 2588 N GLN A 167 24.553 6.350 -12.961 1.00 4.92 N ATOM 2589 CA GLN A 167 25.530 7.433 -12.979 1.00 5.16 C ATOM 2590 C GLN A 167 26.759 7.073 -12.156 1.00 5.19 C ATOM 2591 O GLN A 167 27.809 7.703 -12.278 1.00 5.45 O ATOM 2592 CB GLN A 167 24.914 8.732 -12.465 1.00 5.30 C ATOM 2593 CG GLN A 167 24.312 8.621 -11.077 1.00 5.16 C ATOM 2594 CD GLN A 167 23.761 9.938 -10.571 1.00 5.42 C ATOM 2595 OE1 GLN A 167 22.710 9.866 -9.771 1.00 5.60 O flip ATOM 2596 NE2 GLN A 167 24.266 11.010 -10.904 1.00 5.72 N flip ATOM 0 H GLN A 167 23.741 6.519 -12.367 1.00 4.92 H new ATOM 0 HA GLN A 167 25.839 7.582 -14.014 1.00 5.16 H new ATOM 0 HB2 GLN A 167 25.680 9.507 -12.457 1.00 5.30 H new ATOM 0 HB3 GLN A 167 24.140 9.056 -13.161 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.514 7.879 -11.090 1.00 5.16 H new ATOM 0 HG3 GLN A 167 25.072 8.260 -10.384 1.00 5.16 H new ATOM 0 HE21 GLN A 167 25.077 11.021 -11.523 1.00 5.72 H new ATOM 0 HE22 GLN A 167 23.874 11.887 -10.561 1.00 5.72 H new ATOM 2605 N GLU A 168 26.626 6.041 -11.335 1.00 5.02 N ATOM 2606 CA GLU A 168 27.734 5.558 -10.525 1.00 5.17 C ATOM 2607 C GLU A 168 28.729 4.811 -11.409 1.00 5.30 C ATOM 2608 O GLU A 168 29.834 4.473 -10.987 1.00 5.55 O ATOM 2609 CB GLU A 168 27.212 4.651 -9.410 1.00 5.10 C ATOM 2610 CG GLU A 168 28.218 4.375 -8.309 1.00 5.39 C ATOM 2611 CD GLU A 168 27.628 3.548 -7.187 1.00 5.63 C ATOM 2612 OE1 GLU A 168 26.917 4.115 -6.335 1.00 5.81 O ATOM 2613 OE2 GLU A 168 27.870 2.322 -7.154 1.00 5.88 O ATOM 0 H GLU A 168 25.757 5.520 -11.212 1.00 5.02 H new ATOM 0 HA GLU A 168 28.243 6.405 -10.066 1.00 5.17 H new ATOM 0 HB2 GLU A 168 26.326 5.108 -8.970 1.00 5.10 H new ATOM 0 HB3 GLU A 168 26.898 3.702 -9.846 1.00 5.10 H new ATOM 0 HG2 GLU A 168 29.078 3.853 -8.728 1.00 5.39 H new ATOM 0 HG3 GLU A 168 28.583 5.320 -7.908 1.00 5.39 H new ATOM 2620 N ARG A 169 28.322 4.561 -12.648 1.00 5.23 N ATOM 2621 CA ARG A 169 29.205 3.959 -13.633 1.00 5.45 C ATOM 2622 C ARG A 169 30.292 4.962 -13.997 1.00 5.78 C ATOM 2623 O ARG A 169 31.453 4.601 -14.196 1.00 6.09 O ATOM 2624 CB ARG A 169 28.394 3.529 -14.865 1.00 5.37 C ATOM 2625 CG ARG A 169 29.156 2.668 -15.864 1.00 5.66 C ATOM 2626 CD ARG A 169 30.064 3.501 -16.750 1.00 6.08 C ATOM 2627 NE ARG A 169 30.785 2.689 -17.724 1.00 6.39 N ATOM 2628 CZ ARG A 169 31.064 3.093 -18.963 1.00 6.90 C ATOM 2629 NH1 ARG A 169 30.644 4.280 -19.389 1.00 7.13 N ATOM 2630 NH2 ARG A 169 31.745 2.306 -19.782 1.00 7.34 N ATOM 0 H ARG A 169 27.384 4.767 -12.992 1.00 5.23 H new ATOM 0 HA ARG A 169 29.680 3.067 -13.224 1.00 5.45 H new ATOM 0 HB2 ARG A 169 27.515 2.979 -14.530 1.00 5.37 H new ATOM 0 HB3 ARG A 169 28.035 4.422 -15.376 1.00 5.37 H new ATOM 0 HG2 ARG A 169 29.751 1.929 -15.327 1.00 5.66 H new ATOM 0 HG3 ARG A 169 28.448 2.118 -16.484 1.00 5.66 H new ATOM 0 HD2 ARG A 169 29.470 4.250 -17.274 1.00 6.08 H new ATOM 0 HD3 ARG A 169 30.780 4.040 -16.129 1.00 6.08 H new ATOM 0 HE ARG A 169 31.093 1.759 -17.441 1.00 6.39 H new ATOM 0 HH11 ARG A 169 30.107 4.884 -18.767 1.00 7.13 H new ATOM 0 HH12 ARG A 169 30.859 4.587 -20.338 1.00 7.13 H new ATOM 0 HH21 ARG A 169 32.057 1.388 -19.465 1.00 7.34 H new ATOM 0 HH22 ARG A 169 31.957 2.618 -20.730 1.00 7.34 H new ATOM 2644 N LEU A 170 29.907 6.231 -14.059 1.00 5.79 N ATOM 2645 CA LEU A 170 30.848 7.300 -14.342 1.00 6.19 C ATOM 2646 C LEU A 170 31.443 7.804 -13.032 1.00 6.32 C ATOM 2647 O LEU A 170 32.657 7.976 -12.912 1.00 6.79 O ATOM 2648 CB LEU A 170 30.147 8.438 -15.087 1.00 6.33 C ATOM 2649 CG LEU A 170 31.007 9.220 -16.090 1.00 6.61 C ATOM 2650 CD1 LEU A 170 32.123 9.981 -15.390 1.00 6.97 C ATOM 2651 CD2 LEU A 170 31.579 8.277 -17.138 1.00 6.43 C ATOM 0 H LEU A 170 28.946 6.542 -13.916 1.00 5.79 H new ATOM 0 HA LEU A 170 31.649 6.922 -14.977 1.00 6.19 H new ATOM 0 HB2 LEU A 170 29.291 8.023 -15.619 1.00 6.33 H new ATOM 0 HB3 LEU A 170 29.755 9.140 -14.351 1.00 6.33 H new ATOM 0 HG LEU A 170 30.368 9.952 -16.584 1.00 6.61 H new ATOM 0 HD11 LEU A 170 32.713 10.524 -16.129 1.00 6.97 H new ATOM 0 HD12 LEU A 170 31.692 10.687 -14.680 1.00 6.97 H new ATOM 0 HD13 LEU A 170 32.765 9.278 -14.859 1.00 6.97 H new ATOM 0 HD21 LEU A 170 32.187 8.843 -17.844 1.00 6.43 H new ATOM 0 HD22 LEU A 170 32.197 7.523 -16.650 1.00 6.43 H new ATOM 0 HD23 LEU A 170 30.764 7.789 -17.672 1.00 6.43 H new ATOM 2663 N GLU A 171 30.577 8.024 -12.049 1.00 6.03 N ATOM 2664 CA GLU A 171 31.004 8.446 -10.724 1.00 6.27 C ATOM 2665 C GLU A 171 31.636 7.266 -9.992 1.00 6.70 C ATOM 2666 O GLU A 171 30.944 6.473 -9.351 1.00 6.90 O ATOM 2667 CB GLU A 171 29.809 8.989 -9.931 1.00 6.34 C ATOM 2668 CG GLU A 171 30.185 9.655 -8.617 1.00 6.31 C ATOM 2669 CD GLU A 171 30.956 10.942 -8.815 1.00 6.67 C ATOM 2670 OE1 GLU A 171 30.330 11.975 -9.132 1.00 6.91 O ATOM 2671 OE2 GLU A 171 32.198 10.924 -8.668 1.00 6.97 O ATOM 0 H GLU A 171 29.568 7.915 -12.148 1.00 6.03 H new ATOM 0 HA GLU A 171 31.743 9.242 -10.820 1.00 6.27 H new ATOM 0 HB2 GLU A 171 29.273 9.709 -10.550 1.00 6.34 H new ATOM 0 HB3 GLU A 171 29.120 8.169 -9.726 1.00 6.34 H new ATOM 0 HG2 GLU A 171 29.279 9.863 -8.047 1.00 6.31 H new ATOM 0 HG3 GLU A 171 30.784 8.965 -8.023 1.00 6.31 H new ATOM 2678 N HIS A 172 32.950 7.139 -10.116 1.00 7.18 N ATOM 2679 CA HIS A 172 33.666 6.003 -9.549 1.00 7.91 C ATOM 2680 C HIS A 172 33.661 6.058 -8.030 1.00 8.34 C ATOM 2681 O HIS A 172 33.515 7.129 -7.439 1.00 8.55 O ATOM 2682 CB HIS A 172 35.106 5.950 -10.063 1.00 8.43 C ATOM 2683 CG HIS A 172 35.215 5.690 -11.534 1.00 8.65 C ATOM 2684 ND1 HIS A 172 34.900 4.479 -12.112 1.00 8.91 N ATOM 2685 CD2 HIS A 172 35.612 6.494 -12.547 1.00 8.94 C ATOM 2686 CE1 HIS A 172 35.099 4.551 -13.414 1.00 9.32 C ATOM 2687 NE2 HIS A 172 35.531 5.762 -13.705 1.00 9.35 N ATOM 0 H HIS A 172 33.543 7.809 -10.605 1.00 7.18 H new ATOM 0 HA HIS A 172 33.148 5.098 -9.867 1.00 7.91 H new ATOM 0 HB2 HIS A 172 35.599 6.895 -9.833 1.00 8.43 H new ATOM 0 HB3 HIS A 172 35.645 5.170 -9.525 1.00 8.43 H new ATOM 0 HD2 HIS A 172 35.933 7.522 -12.460 1.00 8.94 H new ATOM 0 HE1 HIS A 172 34.936 3.752 -14.122 1.00 9.32 H new ATOM 0 HE2 HIS A 172 35.767 6.100 -14.638 1.00 9.35 H new ATOM 2696 N HIS A 173 33.824 4.899 -7.408 1.00 8.71 N ATOM 2697 CA HIS A 173 33.788 4.792 -5.957 1.00 9.35 C ATOM 2698 C HIS A 173 35.010 5.462 -5.344 1.00 9.73 C ATOM 2699 O HIS A 173 36.115 4.921 -5.379 1.00 10.12 O ATOM 2700 CB HIS A 173 33.711 3.324 -5.525 1.00 9.85 C ATOM 2701 CG HIS A 173 32.469 2.624 -5.993 1.00 10.34 C ATOM 2702 ND1 HIS A 173 32.487 1.438 -6.696 1.00 10.84 N ATOM 2703 CD2 HIS A 173 31.163 2.944 -5.844 1.00 10.66 C ATOM 2704 CE1 HIS A 173 31.251 1.064 -6.955 1.00 11.40 C ATOM 2705 NE2 HIS A 173 30.428 1.958 -6.451 1.00 11.31 N ATOM 0 H HIS A 173 33.983 4.014 -7.890 1.00 8.71 H new ATOM 0 HA HIS A 173 32.895 5.303 -5.598 1.00 9.35 H new ATOM 0 HB2 HIS A 173 34.583 2.795 -5.909 1.00 9.85 H new ATOM 0 HB3 HIS A 173 33.760 3.271 -4.437 1.00 9.85 H new ATOM 0 HD2 HIS A 173 30.771 3.815 -5.340 1.00 10.66 H new ATOM 0 HE1 HIS A 173 30.962 0.172 -7.491 1.00 11.40 H new ATOM 0 HE2 HIS A 173 29.410 1.923 -6.503 1.00 11.31 H new ATOM 2714 N HIS A 174 34.804 6.653 -4.807 1.00 9.86 N ATOM 2715 CA HIS A 174 35.888 7.430 -4.226 1.00 10.40 C ATOM 2716 C HIS A 174 36.120 7.033 -2.772 1.00 11.06 C ATOM 2717 O HIS A 174 37.198 7.256 -2.224 1.00 11.27 O ATOM 2718 CB HIS A 174 35.571 8.927 -4.326 1.00 10.58 C ATOM 2719 CG HIS A 174 36.662 9.821 -3.818 1.00 10.83 C ATOM 2720 ND1 HIS A 174 36.519 10.636 -2.718 1.00 11.12 N ATOM 2721 CD2 HIS A 174 37.918 10.033 -4.277 1.00 11.10 C ATOM 2722 CE1 HIS A 174 37.636 11.308 -2.522 1.00 11.52 C ATOM 2723 NE2 HIS A 174 38.504 10.962 -3.456 1.00 11.52 N ATOM 0 H HIS A 174 33.891 7.105 -4.761 1.00 9.86 H new ATOM 0 HA HIS A 174 36.801 7.222 -4.784 1.00 10.40 H new ATOM 0 HB2 HIS A 174 35.369 9.175 -5.368 1.00 10.58 H new ATOM 0 HB3 HIS A 174 34.658 9.132 -3.766 1.00 10.58 H new ATOM 0 HD2 HIS A 174 38.375 9.558 -5.133 1.00 11.10 H new ATOM 0 HE1 HIS A 174 37.812 12.022 -1.731 1.00 11.52 H new ATOM 0 HE2 HIS A 174 39.452 11.325 -3.551 1.00 11.52 H new ATOM 2732 N HIS A 175 35.111 6.429 -2.160 1.00 11.59 N ATOM 2733 CA HIS A 175 35.184 6.073 -0.747 1.00 12.41 C ATOM 2734 C HIS A 175 36.102 4.881 -0.527 1.00 12.84 C ATOM 2735 O HIS A 175 35.913 3.814 -1.113 1.00 13.21 O ATOM 2736 CB HIS A 175 33.794 5.773 -0.179 1.00 12.99 C ATOM 2737 CG HIS A 175 32.944 6.992 0.005 1.00 13.51 C ATOM 2738 ND1 HIS A 175 32.186 7.215 1.131 1.00 13.89 N ATOM 2739 CD2 HIS A 175 32.725 8.049 -0.808 1.00 13.89 C ATOM 2740 CE1 HIS A 175 31.537 8.358 1.000 1.00 14.46 C ATOM 2741 NE2 HIS A 175 31.848 8.882 -0.169 1.00 14.48 N ATOM 0 H HIS A 175 34.235 6.175 -2.616 1.00 11.59 H new ATOM 0 HA HIS A 175 35.597 6.932 -0.218 1.00 12.41 H new ATOM 0 HB2 HIS A 175 33.281 5.080 -0.845 1.00 12.99 H new ATOM 0 HB3 HIS A 175 33.904 5.269 0.781 1.00 12.99 H new ATOM 0 HD2 HIS A 175 33.162 8.207 -1.783 1.00 13.89 H new ATOM 0 HE1 HIS A 175 30.865 8.790 1.727 1.00 14.46 H new ATOM 0 HE2 HIS A 175 31.493 9.764 -0.537 1.00 14.48 H new ATOM 2750 N HIS A 176 37.098 5.079 0.321 1.00 12.98 N ATOM 2751 CA HIS A 176 38.044 4.031 0.658 1.00 13.55 C ATOM 2752 C HIS A 176 37.434 3.114 1.707 1.00 13.90 C ATOM 2753 O HIS A 176 37.192 3.528 2.842 1.00 14.09 O ATOM 2754 CB HIS A 176 39.350 4.650 1.177 1.00 13.99 C ATOM 2755 CG HIS A 176 40.430 3.654 1.489 1.00 14.45 C ATOM 2756 ND1 HIS A 176 41.466 3.376 0.627 1.00 14.88 N ATOM 2757 CD2 HIS A 176 40.639 2.882 2.583 1.00 14.71 C ATOM 2758 CE1 HIS A 176 42.263 2.480 1.174 1.00 15.37 C ATOM 2759 NE2 HIS A 176 41.787 2.163 2.362 1.00 15.28 N ATOM 0 H HIS A 176 37.272 5.967 0.792 1.00 12.98 H new ATOM 0 HA HIS A 176 38.271 3.446 -0.233 1.00 13.55 H new ATOM 0 HB2 HIS A 176 39.725 5.353 0.433 1.00 13.99 H new ATOM 0 HB3 HIS A 176 39.132 5.225 2.077 1.00 13.99 H new ATOM 0 HD2 HIS A 176 40.017 2.840 3.465 1.00 14.71 H new ATOM 0 HE1 HIS A 176 43.157 2.073 0.724 1.00 15.37 H new ATOM 0 HE2 HIS A 176 42.203 1.494 3.010 1.00 15.28 H new ATOM 2768 N HIS A 177 37.163 1.878 1.323 1.00 14.14 N ATOM 2769 CA HIS A 177 36.584 0.912 2.239 1.00 14.65 C ATOM 2770 C HIS A 177 37.684 0.206 3.012 1.00 15.60 C ATOM 2771 O HIS A 177 38.579 -0.395 2.420 1.00 16.02 O ATOM 2772 CB HIS A 177 35.724 -0.109 1.486 1.00 14.60 C ATOM 2773 CG HIS A 177 34.517 0.490 0.833 1.00 14.47 C ATOM 2774 ND1 HIS A 177 33.321 0.678 1.490 1.00 14.51 N ATOM 2775 CD2 HIS A 177 34.328 0.952 -0.425 1.00 14.51 C ATOM 2776 CE1 HIS A 177 32.451 1.229 0.666 1.00 14.56 C ATOM 2777 NE2 HIS A 177 33.037 1.406 -0.502 1.00 14.56 N ATOM 0 H HIS A 177 37.335 1.521 0.383 1.00 14.14 H new ATOM 0 HA HIS A 177 35.941 1.444 2.940 1.00 14.65 H new ATOM 0 HB2 HIS A 177 36.335 -0.595 0.725 1.00 14.60 H new ATOM 0 HB3 HIS A 177 35.403 -0.885 2.181 1.00 14.60 H new ATOM 0 HD2 HIS A 177 35.059 0.961 -1.220 1.00 14.51 H new ATOM 0 HE1 HIS A 177 31.431 1.491 0.907 1.00 14.56 H new ATOM 0 HE2 HIS A 177 32.600 1.814 -1.328 1.00 14.56 H new ATOM 2786 N LEU A 178 37.625 0.303 4.328 1.00 16.06 N ATOM 2787 CA LEU A 178 38.632 -0.307 5.181 1.00 17.08 C ATOM 2788 C LEU A 178 38.432 -1.814 5.243 1.00 17.58 C ATOM 2789 O LEU A 178 37.353 -2.292 5.595 1.00 17.74 O ATOM 2790 CB LEU A 178 38.568 0.290 6.589 1.00 17.47 C ATOM 2791 CG LEU A 178 39.608 -0.247 7.575 1.00 17.56 C ATOM 2792 CD1 LEU A 178 41.013 0.132 7.132 1.00 17.99 C ATOM 2793 CD2 LEU A 178 39.330 0.275 8.977 1.00 17.68 C ATOM 0 H LEU A 178 36.889 0.799 4.831 1.00 16.06 H new ATOM 0 HA LEU A 178 39.615 -0.102 4.757 1.00 17.08 H new ATOM 0 HB2 LEU A 178 38.687 1.371 6.513 1.00 17.47 H new ATOM 0 HB3 LEU A 178 37.575 0.107 6.999 1.00 17.47 H new ATOM 0 HG LEU A 178 39.537 -1.335 7.591 1.00 17.56 H new ATOM 0 HD11 LEU A 178 41.738 -0.259 7.846 1.00 17.99 H new ATOM 0 HD12 LEU A 178 41.210 -0.290 6.147 1.00 17.99 H new ATOM 0 HD13 LEU A 178 41.099 1.218 7.085 1.00 17.99 H new ATOM 0 HD21 LEU A 178 40.079 -0.116 9.666 1.00 17.68 H new ATOM 0 HD22 LEU A 178 39.373 1.364 8.975 1.00 17.68 H new ATOM 0 HD23 LEU A 178 38.339 -0.048 9.296 1.00 17.68 H new ATOM 2805 N GLU A 179 39.467 -2.560 4.890 1.00 17.95 N ATOM 2806 CA GLU A 179 39.416 -4.011 4.950 1.00 18.57 C ATOM 2807 C GLU A 179 40.378 -4.532 6.014 1.00 19.13 C ATOM 2808 O GLU A 179 41.303 -3.829 6.426 1.00 19.11 O ATOM 2809 CB GLU A 179 39.734 -4.622 3.583 1.00 18.91 C ATOM 2810 CG GLU A 179 41.067 -4.186 3.001 1.00 18.77 C ATOM 2811 CD GLU A 179 41.315 -4.775 1.630 1.00 18.94 C ATOM 2812 OE1 GLU A 179 41.758 -5.940 1.548 1.00 18.93 O ATOM 2813 OE2 GLU A 179 41.069 -4.074 0.623 1.00 19.19 O ATOM 0 H GLU A 179 40.355 -2.183 4.558 1.00 17.95 H new ATOM 0 HA GLU A 179 38.404 -4.310 5.225 1.00 18.57 H new ATOM 0 HB2 GLU A 179 39.727 -5.708 3.673 1.00 18.91 H new ATOM 0 HB3 GLU A 179 38.941 -4.355 2.885 1.00 18.91 H new ATOM 0 HG2 GLU A 179 41.095 -3.098 2.937 1.00 18.77 H new ATOM 0 HG3 GLU A 179 41.870 -4.486 3.674 1.00 18.77 H new ATOM 2820 N HIS A 180 40.142 -5.753 6.477 1.00 19.74 N ATOM 2821 CA HIS A 180 40.966 -6.339 7.527 1.00 20.41 C ATOM 2822 C HIS A 180 42.365 -6.651 7.012 1.00 20.84 C ATOM 2823 O HIS A 180 42.534 -7.214 5.931 1.00 21.13 O ATOM 2824 CB HIS A 180 40.318 -7.609 8.110 1.00 21.03 C ATOM 2825 CG HIS A 180 40.212 -8.763 7.149 1.00 21.37 C ATOM 2826 ND1 HIS A 180 41.097 -9.824 7.141 1.00 21.96 N ATOM 2827 CD2 HIS A 180 39.307 -9.028 6.179 1.00 21.34 C ATOM 2828 CE1 HIS A 180 40.737 -10.686 6.210 1.00 22.26 C ATOM 2829 NE2 HIS A 180 39.657 -10.227 5.614 1.00 21.90 N ATOM 0 H HIS A 180 39.389 -6.355 6.143 1.00 19.74 H new ATOM 0 HA HIS A 180 41.045 -5.602 8.326 1.00 20.41 H new ATOM 0 HB2 HIS A 180 40.895 -7.929 8.977 1.00 21.03 H new ATOM 0 HB3 HIS A 180 39.319 -7.359 8.467 1.00 21.03 H new ATOM 0 HD2 HIS A 180 38.466 -8.410 5.902 1.00 21.34 H new ATOM 0 HE1 HIS A 180 41.243 -11.611 5.976 1.00 22.26 H new ATOM 0 HE2 HIS A 180 39.160 -10.690 4.853 1.00 21.90 H new ATOM 2838 N HIS A 181 43.360 -6.262 7.790 1.00 20.99 N ATOM 2839 CA HIS A 181 44.746 -6.578 7.479 1.00 21.54 C ATOM 2840 C HIS A 181 45.162 -7.784 8.306 1.00 22.31 C ATOM 2841 O HIS A 181 45.902 -8.650 7.848 1.00 22.51 O ATOM 2842 CB HIS A 181 45.659 -5.384 7.779 1.00 21.37 C ATOM 2843 CG HIS A 181 45.227 -4.115 7.105 1.00 21.01 C ATOM 2844 ND1 HIS A 181 44.988 -2.944 7.791 1.00 20.83 N ATOM 2845 CD2 HIS A 181 44.984 -3.840 5.804 1.00 20.92 C ATOM 2846 CE1 HIS A 181 44.614 -2.006 6.941 1.00 20.64 C ATOM 2847 NE2 HIS A 181 44.604 -2.524 5.729 1.00 20.70 N ATOM 0 H HIS A 181 43.234 -5.724 8.647 1.00 20.99 H new ATOM 0 HA HIS A 181 44.839 -6.804 6.417 1.00 21.54 H new ATOM 0 HB2 HIS A 181 45.689 -5.222 8.856 1.00 21.37 H new ATOM 0 HB3 HIS A 181 46.674 -5.625 7.465 1.00 21.37 H new ATOM 0 HD2 HIS A 181 45.073 -4.529 4.977 1.00 20.92 H new ATOM 0 HE1 HIS A 181 44.360 -0.988 7.195 1.00 20.64 H new ATOM 0 HE2 HIS A 181 44.354 -2.027 4.874 1.00 20.70 H new ATOM 2856 N HIS A 182 44.668 -7.816 9.536 1.00 22.83 N ATOM 2857 CA HIS A 182 44.809 -8.973 10.407 1.00 23.69 C ATOM 2858 C HIS A 182 43.462 -9.282 11.044 1.00 24.16 C ATOM 2859 O HIS A 182 42.819 -10.278 10.718 1.00 24.40 O ATOM 2860 CB HIS A 182 45.857 -8.734 11.500 1.00 24.01 C ATOM 2861 CG HIS A 182 47.272 -8.838 11.026 1.00 24.24 C ATOM 2862 ND1 HIS A 182 48.023 -9.982 11.168 1.00 24.67 N ATOM 2863 CD2 HIS A 182 48.082 -7.932 10.433 1.00 24.22 C ATOM 2864 CE1 HIS A 182 49.229 -9.776 10.685 1.00 24.89 C ATOM 2865 NE2 HIS A 182 49.294 -8.540 10.231 1.00 24.63 N ATOM 0 H HIS A 182 44.158 -7.040 9.958 1.00 22.83 H new ATOM 0 HA HIS A 182 45.146 -9.817 9.805 1.00 23.69 H new ATOM 0 HB2 HIS A 182 45.701 -7.743 11.927 1.00 24.01 H new ATOM 0 HB3 HIS A 182 45.700 -9.455 12.302 1.00 24.01 H new ATOM 0 HD2 HIS A 182 47.822 -6.918 10.168 1.00 24.22 H new ATOM 0 HE1 HIS A 182 50.032 -10.498 10.664 1.00 24.89 H new ATOM 0 HE2 HIS A 182 50.111 -8.107 9.800 1.00 24.63 H new ATOM 2874 N HIS A 183 43.034 -8.400 11.937 1.00 24.38 N ATOM 2875 CA HIS A 183 41.732 -8.515 12.578 1.00 24.93 C ATOM 2876 C HIS A 183 41.398 -7.219 13.307 1.00 25.44 C ATOM 2877 O HIS A 183 42.195 -6.725 14.105 1.00 25.58 O ATOM 2878 CB HIS A 183 41.712 -9.693 13.559 1.00 25.08 C ATOM 2879 CG HIS A 183 40.367 -9.945 14.172 1.00 25.22 C ATOM 2880 ND1 HIS A 183 40.017 -9.499 15.425 1.00 25.36 N ATOM 2881 CD2 HIS A 183 39.284 -10.602 13.695 1.00 25.35 C ATOM 2882 CE1 HIS A 183 38.781 -9.869 15.694 1.00 25.56 C ATOM 2883 NE2 HIS A 183 38.312 -10.540 14.661 1.00 25.56 N ATOM 0 H HIS A 183 43.576 -7.589 12.236 1.00 24.38 H new ATOM 0 HA HIS A 183 40.981 -8.698 11.809 1.00 24.93 H new ATOM 0 HB2 HIS A 183 42.038 -10.593 13.038 1.00 25.08 H new ATOM 0 HB3 HIS A 183 42.434 -9.505 14.354 1.00 25.08 H new ATOM 0 HD2 HIS A 183 39.201 -11.085 12.733 1.00 25.35 H new ATOM 0 HE1 HIS A 183 38.243 -9.658 16.607 1.00 25.56 H new ATOM 0 HE2 HIS A 183 37.379 -10.947 14.591 1.00 25.56 H new ATOM 2892 N HIS A 184 40.231 -6.669 13.027 1.00 25.80 N ATOM 2893 CA HIS A 184 39.796 -5.439 13.676 1.00 26.40 C ATOM 2894 C HIS A 184 39.055 -5.760 14.964 1.00 26.96 C ATOM 2895 O HIS A 184 38.250 -6.691 15.001 1.00 27.37 O ATOM 2896 CB HIS A 184 38.903 -4.610 12.748 1.00 26.76 C ATOM 2897 CG HIS A 184 39.647 -3.953 11.630 1.00 26.84 C ATOM 2898 ND1 HIS A 184 40.630 -3.023 11.651 1.00 26.92 N flip ATOM 2899 CD2 HIS A 184 39.404 -4.217 10.299 1.00 26.96 C flip ATOM 2900 CE1 HIS A 184 40.958 -2.749 10.349 1.00 27.09 C flip ATOM 2901 NE2 HIS A 184 40.206 -3.482 9.553 1.00 27.11 N flip ATOM 0 H HIS A 184 39.565 -7.052 12.355 1.00 25.80 H new ATOM 0 HA HIS A 184 40.682 -4.849 13.910 1.00 26.40 H new ATOM 0 HB2 HIS A 184 38.131 -5.255 12.329 1.00 26.76 H new ATOM 0 HB3 HIS A 184 38.395 -3.844 13.335 1.00 26.76 H new ATOM 0 HD2 HIS A 184 38.671 -4.917 9.925 1.00 26.96 H new ATOM 0 HE1 HIS A 184 41.712 -2.046 10.027 1.00 27.09 H new ATOM 0 HE2 HIS A 184 40.239 -3.481 8.534 1.00 27.11 H new ATOM 2910 N HIS A 185 39.339 -4.984 16.008 1.00 27.04 N ATOM 2911 CA HIS A 185 38.761 -5.202 17.333 1.00 27.63 C ATOM 2912 C HIS A 185 39.230 -6.533 17.899 1.00 27.78 C ATOM 2913 O HIS A 185 38.480 -7.525 17.811 1.00 27.59 O ATOM 2914 CB HIS A 185 37.228 -5.140 17.298 1.00 28.05 C ATOM 2915 CG HIS A 185 36.692 -3.779 16.982 1.00 28.32 C ATOM 2916 ND1 HIS A 185 36.114 -3.455 15.772 1.00 28.85 N ATOM 2917 CD2 HIS A 185 36.645 -2.653 17.732 1.00 28.21 C ATOM 2918 CE1 HIS A 185 35.741 -2.190 15.793 1.00 29.06 C ATOM 2919 NE2 HIS A 185 36.051 -1.683 16.968 1.00 28.68 N ATOM 2920 OXT HIS A 185 40.374 -6.588 18.398 1.00 28.16 O ATOM 0 H HIS A 185 39.975 -4.188 15.960 1.00 27.04 H new ATOM 0 HA HIS A 185 39.106 -4.399 17.985 1.00 27.63 H new ATOM 0 HB2 HIS A 185 36.861 -5.848 16.555 1.00 28.05 H new ATOM 0 HB3 HIS A 185 36.837 -5.460 18.264 1.00 28.05 H new ATOM 0 HD2 HIS A 185 37.008 -2.540 18.743 1.00 28.21 H new ATOM 0 HE1 HIS A 185 35.262 -1.660 14.983 1.00 29.06 H new ATOM 0 HE2 HIS A 185 35.877 -0.722 17.262 1.00 28.68 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -17.708 -18.160 1.725 1.00 3.23 C HETATM 2931 O ACE B1001 -17.482 -19.352 1.944 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -18.645 -17.398 2.641 1.00 4.05 C HETATM 0 H1 ACE B1001 -18.110 -16.565 3.097 1.00 4.05 H new HETATM 0 H2 ACE B1001 -19.487 -17.016 2.064 1.00 4.05 H new HETATM 0 H3 ACE B1001 -19.012 -18.064 3.421 1.00 4.05 H new ATOM 2936 N GLY B1002 -17.144 -17.520 0.709 1.00 2.68 N ATOM 2937 CA GLY B1002 -16.266 -18.212 -0.209 1.00 2.37 C ATOM 2938 C GLY B1002 -15.177 -17.312 -0.748 1.00 2.24 C ATOM 2939 O GLY B1002 -15.370 -16.100 -0.864 1.00 2.97 O ATOM 0 H GLY B1002 -17.281 -16.530 0.505 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -15.813 -19.064 0.297 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -16.851 -18.609 -1.039 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.035 -17.911 -1.076 1.00 1.72 N ATOM 2944 CA CYS B1003 -12.877 -17.183 -1.590 1.00 1.60 C ATOM 2945 C CYS B1003 -12.454 -16.082 -0.623 1.00 1.42 C ATOM 2946 O CYS B1003 -12.503 -16.268 0.590 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.184 -16.559 -2.949 1.00 1.63 C ATOM 2948 SG CYS B1003 -13.979 -17.675 -4.146 1.00 1.94 S ATOM 0 H CYS B1003 -13.886 -18.917 -0.993 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.064 -17.901 -1.698 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -13.830 -15.694 -2.797 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.254 -16.190 -3.381 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.016 -14.952 -1.198 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.638 -13.741 -0.475 1.00 1.19 C ATOM 2955 C VAL B1004 -10.797 -14.014 0.780 1.00 1.19 C ATOM 2956 O VAL B1004 -9.577 -14.058 0.672 1.00 1.63 O ATOM 2957 CB VAL B1004 -12.853 -12.830 -0.206 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.463 -12.404 -1.527 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -13.914 -13.479 0.664 1.00 1.42 C ATOM 0 H VAL B1004 -11.914 -14.859 -2.209 1.00 1.37 H new ATOM 0 HA VAL B1004 -10.973 -13.186 -1.137 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.486 -11.966 0.348 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -14.322 -11.760 -1.340 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -12.721 -11.859 -2.111 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -13.785 -13.286 -2.081 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -14.739 -12.782 0.812 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.284 -14.380 0.175 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -13.482 -13.741 1.630 1.00 1.42 H new ATOM 2969 N GLY B1005 -11.415 -14.162 1.955 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.698 -14.672 3.119 1.00 1.07 C ATOM 2971 C GLY B1005 -9.752 -15.835 2.796 1.00 1.05 C ATOM 2972 O GLY B1005 -8.724 -16.007 3.452 1.00 1.20 O ATOM 0 H GLY B1005 -12.396 -13.939 2.121 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.123 -13.861 3.566 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.421 -14.999 3.866 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.109 -16.644 1.805 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.212 -17.671 1.293 1.00 1.08 C ATOM 2978 C ARG B1006 -8.282 -17.111 0.215 1.00 1.04 C ATOM 2979 O ARG B1006 -7.066 -17.246 0.306 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.012 -18.831 0.705 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.224 -19.994 1.657 1.00 1.24 C ATOM 2982 CD ARG B1006 -10.879 -19.566 2.955 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.102 -20.705 3.848 1.00 1.88 N ATOM 2984 CZ ARG B1006 -11.665 -20.626 5.054 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -12.046 -19.456 5.550 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -11.838 -21.730 5.766 1.00 2.87 N ATOM 0 H ARG B1006 -11.016 -16.608 1.340 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.609 -18.024 2.130 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -10.985 -18.459 0.383 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.499 -19.195 -0.185 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -10.843 -20.749 1.172 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.264 -20.462 1.875 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.250 -18.829 3.455 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -11.831 -19.080 2.740 1.00 1.55 H new ATOM 0 HE ARG B1006 -10.805 -21.625 3.524 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.909 -18.603 5.007 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -12.476 -19.409 6.474 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -11.541 -22.631 5.390 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -12.268 -21.679 6.690 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.867 -16.462 -0.789 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.134 -16.061 -1.992 1.00 1.05 C ATOM 3002 C ALA B1007 -7.156 -14.917 -1.741 1.00 1.02 C ATOM 3003 O ALA B1007 -5.971 -15.035 -2.044 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.111 -15.678 -3.089 1.00 1.10 C ATOM 0 H ALA B1007 -9.853 -16.200 -0.795 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.540 -16.921 -2.303 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.559 -15.381 -3.981 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.747 -16.531 -3.324 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.729 -14.846 -2.751 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.657 -13.817 -1.201 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.842 -12.631 -0.959 1.00 0.83 C ATOM 3012 C LEU B1008 -5.692 -12.953 -0.023 1.00 0.78 C ATOM 3013 O LEU B1008 -4.536 -12.730 -0.366 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.697 -11.503 -0.384 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.457 -10.661 -1.406 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.518 -10.189 -2.497 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.623 -11.421 -2.003 1.00 1.33 C ATOM 0 H LEU B1008 -8.632 -13.718 -0.919 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.427 -12.301 -1.911 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.417 -11.936 0.310 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.052 -10.843 0.196 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.864 -9.794 -0.886 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.072 -9.590 -3.220 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.724 -9.585 -2.058 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.082 -11.052 -3.000 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.138 -10.788 -2.725 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.255 -12.317 -2.503 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.316 -11.706 -1.211 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.029 -13.468 1.153 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.043 -13.957 2.108 1.00 0.78 C ATOM 3031 C ALA B1009 -3.924 -14.734 1.413 1.00 0.80 C ATOM 3032 O ALA B1009 -2.733 -14.508 1.653 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.707 -14.874 3.116 1.00 0.88 C ATOM 0 H ALA B1009 -6.994 -13.558 1.471 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.614 -13.087 2.606 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -4.962 -15.235 3.826 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.483 -14.326 3.651 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.154 -15.722 2.597 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.348 -15.660 0.552 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.452 -16.554 -0.169 1.00 0.94 C ATOM 3041 C ALA B1010 -2.557 -15.795 -1.140 1.00 0.92 C ATOM 3042 O ALA B1010 -1.332 -15.907 -1.088 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.277 -17.588 -0.919 1.00 1.03 C ATOM 0 H ALA B1010 -5.334 -15.809 0.336 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.803 -17.046 0.555 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.612 -18.260 -1.461 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.874 -18.161 -0.210 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.937 -17.084 -1.625 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.171 -15.025 -2.028 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.428 -14.265 -3.025 1.00 0.93 C ATOM 3051 C PHE B1011 -1.579 -13.181 -2.364 1.00 0.85 C ATOM 3052 O PHE B1011 -0.551 -12.766 -2.899 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.384 -13.642 -4.051 1.00 0.97 C ATOM 3054 CG PHE B1011 -3.903 -14.620 -5.072 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.098 -15.019 -6.124 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.192 -15.133 -4.992 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.563 -15.909 -7.072 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.660 -16.018 -5.935 1.00 1.32 C ATOM 3059 CZ PHE B1011 -4.846 -16.409 -6.978 1.00 1.46 C ATOM 0 H PHE B1011 -4.183 -14.910 -2.079 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.760 -14.953 -3.544 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.229 -13.199 -3.524 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.870 -12.831 -4.567 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.094 -14.630 -6.205 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -5.835 -14.833 -4.178 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -2.923 -16.214 -7.887 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.665 -16.407 -5.859 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.212 -17.104 -7.719 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.002 -12.758 -1.180 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.297 -11.726 -0.449 1.00 0.72 C ATOM 3071 C GLY B1012 -0.009 -12.217 0.177 1.00 0.73 C ATOM 3072 O GLY B1012 0.745 -11.437 0.761 1.00 0.78 O ATOM 0 H GLY B1012 -2.832 -13.118 -0.709 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.074 -10.899 -1.123 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -1.948 -11.334 0.333 1.00 0.72 H new ATOM 3076 N ASP B1013 0.242 -13.511 0.072 1.00 0.78 N ATOM 3077 CA ASP B1013 1.491 -14.087 0.549 1.00 0.86 C ATOM 3078 C ASP B1013 2.598 -13.860 -0.475 1.00 0.93 C ATOM 3079 O ASP B1013 3.783 -13.856 -0.144 1.00 1.06 O ATOM 3080 CB ASP B1013 1.313 -15.585 0.818 1.00 0.98 C ATOM 3081 CG ASP B1013 2.616 -16.282 1.165 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.084 -16.148 2.316 1.00 1.48 O ATOM 3083 OD2 ASP B1013 3.173 -16.976 0.290 1.00 1.90 O ATOM 0 H ASP B1013 -0.403 -14.185 -0.340 1.00 0.78 H new ATOM 0 HA ASP B1013 1.772 -13.597 1.481 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.605 -15.720 1.636 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.877 -16.058 -0.062 1.00 0.98 H new ATOM 3088 N CYS B1014 2.198 -13.609 -1.714 1.00 0.93 N ATOM 3089 CA CYS B1014 3.132 -13.533 -2.833 1.00 1.06 C ATOM 3090 C CYS B1014 3.754 -12.139 -2.972 1.00 1.08 C ATOM 3091 O CYS B1014 4.056 -11.696 -4.077 1.00 1.44 O ATOM 3092 CB CYS B1014 2.412 -13.909 -4.126 1.00 1.12 C ATOM 3093 SG CYS B1014 1.352 -15.385 -3.979 1.00 1.34 S ATOM 0 H CYS B1014 1.224 -13.453 -1.973 1.00 0.93 H new ATOM 0 HA CYS B1014 3.942 -14.235 -2.637 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.801 -13.066 -4.449 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.153 -14.082 -4.906 1.00 1.12 H new ATOM 3098 N ILE B1015 3.986 -11.465 -1.851 1.00 1.14 N ATOM 3099 CA ILE B1015 4.591 -10.131 -1.872 1.00 1.23 C ATOM 3100 C ILE B1015 6.119 -10.187 -1.933 1.00 1.67 C ATOM 3101 O ILE B1015 6.792 -9.226 -1.564 1.00 2.20 O ATOM 3102 CB ILE B1015 4.167 -9.266 -0.657 1.00 1.32 C ATOM 3103 CG1 ILE B1015 3.860 -10.139 0.569 1.00 2.19 C ATOM 3104 CG2 ILE B1015 2.981 -8.376 -1.005 1.00 1.41 C ATOM 3105 CD1 ILE B1015 5.086 -10.738 1.225 1.00 2.91 C ATOM 0 H ILE B1015 3.767 -11.815 -0.918 1.00 1.14 H new ATOM 0 HA ILE B1015 4.216 -9.663 -2.782 1.00 1.23 H new ATOM 0 HB ILE B1015 5.007 -8.620 -0.402 1.00 1.32 H new ATOM 0 HG12 ILE B1015 3.325 -9.538 1.304 1.00 2.19 H new ATOM 0 HG13 ILE B1015 3.191 -10.946 0.269 1.00 2.19 H new ATOM 0 HG21 ILE B1015 2.705 -7.781 -0.135 1.00 1.41 H new ATOM 0 HG22 ILE B1015 3.252 -7.713 -1.827 1.00 1.41 H new ATOM 0 HG23 ILE B1015 2.136 -8.996 -1.303 1.00 1.41 H new ATOM 0 HD11 ILE B1015 4.783 -11.340 2.082 1.00 2.91 H new ATOM 0 HD12 ILE B1015 5.612 -11.368 0.507 1.00 2.91 H new ATOM 0 HD13 ILE B1015 5.747 -9.938 1.559 1.00 2.91 H new ATOM 3117 N ASN B1016 6.670 -11.293 -2.422 1.00 2.03 N ATOM 3118 CA ASN B1016 8.118 -11.406 -2.595 1.00 2.59 C ATOM 3119 C ASN B1016 8.479 -12.527 -3.563 1.00 2.83 C ATOM 3120 O ASN B1016 9.358 -12.363 -4.406 1.00 3.29 O ATOM 3121 CB ASN B1016 8.842 -11.605 -1.250 1.00 3.32 C ATOM 3122 CG ASN B1016 8.450 -12.879 -0.525 1.00 3.73 C ATOM 3123 OD1 ASN B1016 7.489 -12.774 0.377 1.00 4.03 O flip ATOM 3124 ND2 ASN B1016 9.023 -13.943 -0.756 1.00 4.29 N flip ATOM 0 H ASN B1016 6.143 -12.119 -2.704 1.00 2.03 H new ATOM 0 HA ASN B1016 8.457 -10.462 -3.022 1.00 2.59 H new ATOM 0 HB2 ASN B1016 9.918 -11.614 -1.425 1.00 3.32 H new ATOM 0 HB3 ASN B1016 8.631 -10.752 -0.605 1.00 3.32 H new ATOM 0 HD21 ASN B1016 9.760 -13.983 -1.460 1.00 4.29 H new ATOM 0 HD22 ASN B1016 8.761 -14.785 -0.243 1.00 4.29 H new ATOM 3131 N ARG B1017 7.802 -13.659 -3.448 1.00 3.18 N ATOM 3132 CA ARG B1017 8.089 -14.802 -4.301 1.00 3.90 C ATOM 3133 C ARG B1017 6.822 -15.264 -5.019 1.00 4.54 C ATOM 3134 O ARG B1017 6.539 -14.833 -6.136 1.00 5.06 O ATOM 3135 CB ARG B1017 8.682 -15.943 -3.467 1.00 4.55 C ATOM 3136 CG ARG B1017 9.297 -17.057 -4.297 1.00 5.10 C ATOM 3137 CD ARG B1017 9.823 -18.183 -3.420 1.00 5.97 C ATOM 3138 NE ARG B1017 10.800 -17.715 -2.436 1.00 6.51 N ATOM 3139 CZ ARG B1017 11.913 -18.376 -2.122 1.00 7.49 C ATOM 3140 NH1 ARG B1017 12.215 -19.513 -2.739 1.00 8.03 N ATOM 3141 NH2 ARG B1017 12.732 -17.902 -1.191 1.00 8.17 N ATOM 0 H ARG B1017 7.052 -13.811 -2.774 1.00 3.18 H new ATOM 0 HA ARG B1017 8.818 -14.504 -5.054 1.00 3.90 H new ATOM 0 HB2 ARG B1017 9.444 -15.536 -2.802 1.00 4.55 H new ATOM 0 HB3 ARG B1017 7.899 -16.363 -2.836 1.00 4.55 H new ATOM 0 HG2 ARG B1017 8.552 -17.451 -4.988 1.00 5.10 H new ATOM 0 HG3 ARG B1017 10.110 -16.655 -4.901 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.989 -18.657 -2.902 1.00 5.97 H new ATOM 0 HD3 ARG B1017 10.282 -18.946 -4.049 1.00 5.97 H new ATOM 0 HE ARG B1017 10.618 -16.830 -1.963 1.00 6.51 H new ATOM 0 HH11 ARG B1017 11.593 -19.884 -3.457 1.00 8.03 H new ATOM 0 HH12 ARG B1017 13.069 -20.015 -2.494 1.00 8.03 H new ATOM 0 HH21 ARG B1017 12.510 -17.029 -0.713 1.00 8.17 H new ATOM 0 HH22 ARG B1017 13.583 -18.411 -0.953 1.00 8.17 H new HETATM 3155 N NH2 B1018 6.049 -16.127 -4.374 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -12.766 -19.023 -4.216 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.315 -18.512 -4.266 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.043 -17.389 -4.686 1.00 2.16 O HETATM 3162 N3 33B B1100 -10.414 -19.380 -3.801 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.098 -19.119 -3.868 1.00 1.44 C HETATM 3164 C5 33B B1100 -8.295 -19.422 -2.760 1.00 1.42 C HETATM 3165 C6 33B B1100 -8.491 -18.628 -5.040 1.00 1.47 C HETATM 3166 S6 33B B1100 -9.401 -18.249 -6.491 1.00 1.71 S HETATM 3167 C7 33B B1100 -6.914 -19.261 -2.827 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.113 -18.468 -5.082 1.00 1.42 C HETATM 3169 C9 33B B1100 -6.330 -18.795 -3.993 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.011 -18.739 -4.120 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.254 -19.027 -3.198 1.00 1.51 N HETATM 3172 C12 33B B1100 -2.950 -18.940 -3.420 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.027 -19.181 -2.408 1.00 1.75 C HETATM 3174 C14 33B B1100 -2.522 -18.546 -4.668 1.00 1.42 C HETATM 3175 C15 33B B1100 -0.669 -19.007 -2.658 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.173 -18.379 -4.924 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.243 -18.600 -3.920 1.00 1.60 C HETATM 3178 S17 33B B1100 -0.638 -17.900 -6.513 1.00 1.38 S HETATM 3179 N18 33B B1100 1.042 -18.348 -4.156 1.00 1.62 N HETATM 3180 C19 33B B1100 1.807 -17.956 -3.138 1.00 1.65 C HETATM 3181 O19 33B B1100 1.949 -18.590 -2.092 1.00 1.92 O HETATM 3182 C20 33B B1100 2.518 -16.620 -3.360 1.00 1.43 C HETATM 3183 O61 33B B1100 -9.660 -16.766 -6.555 1.00 2.30 O HETATM 3184 O62 33B B1100 -10.697 -19.009 -6.533 1.00 2.30 O HETATM 3185 O63 33B B1100 -8.584 -18.627 -7.692 1.00 2.13 O HETATM 3186 O71 33B B1100 -1.762 -18.040 -7.501 1.00 2.03 O HETATM 3187 O72 33B B1100 -0.196 -16.468 -6.473 1.00 2.14 O HETATM 3188 O73 33B B1100 0.520 -18.754 -6.941 1.00 1.73 O HETATM 0 HO72 33B B1100 0.404 -16.332 -5.710 1.00 2.14 H new HETATM 0 HO62 33B B1100 -11.185 -18.779 -7.351 1.00 2.30 H new HETATM 0 HN18 33B B1100 1.432 -18.452 -5.093 1.00 1.62 H new HETATM 0 HN3 33B B1100 -10.730 -20.257 -3.387 1.00 1.51 H new HETATM 0 H8 33B B1100 -6.643 -18.079 -5.986 1.00 1.42 H new HETATM 0 H7 33B B1100 -6.294 -19.501 -1.964 1.00 1.43 H new HETATM 0 H5 33B B1100 -8.754 -19.786 -1.841 1.00 1.42 H new HETATM 0 H15 33B B1100 0.060 -19.189 -1.868 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.250 -18.365 -5.459 1.00 1.42 H new HETATM 0 H13 33B B1100 -2.366 -19.505 -1.424 1.00 1.75 H new