USER MOD reduce.3.24.130724 H: found=0, std=0, add=1532, rem=0, adj=45 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= -2.81 F(o=-9.2!,f=-3.1) USER MOD Set 1.2: A 157 ASN : amide:sc= -0.337 K(o=-3.1,f=-10!) USER MOD Set 2.1: A 5 ASN : amide:sc= -3.44! C(o=-3.5!,f=-8.9!) USER MOD Set 2.2: A 135 ASN : amide:sc= -0.0781 X(o=-3.5,f=-4) USER MOD Set 3.1: A 133 TYR OH : rot -142:sc= 0.103 USER MOD Set 3.2: A 137 HIS : no HE2:sc= 1.15 K(o=1.3,f=-5.7!) USER MOD Set 4.1: A 61 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 105 SER OG : rot 135:sc= 0.313 USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.0715 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -130:sc= 0.921! (180deg=-1.87!) USER MOD Set 6.2: A 19 GLN : amide:sc= 0.951 K(o=1.9,f=-5.7) USER MOD Set 7.1: A 1 MET N :NH3+ 151:sc= 1.31 (180deg=1) USER MOD Set 7.2: A 4 SER OG : rot -50:sc= 0.161 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.123 USER MOD Single : A 3 GLN : amide:sc= -0.0695 K(o=-0.07,f=-2.3) USER MOD Single : A 14 SER OG : rot 71:sc= 1.21 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 28 SER OG : rot -3:sc= -1.17! USER MOD Single : A 33 ASN : amide:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 35 THR OG1 : rot 46:sc= 0.0622 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -20:sc= -1.78 USER MOD Single : A 47 LYS NZ :NH3+ -153:sc= 0.736 (180deg=-1.06!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.045 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00034 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -2.47! C(o=-8.8!,f=-2.5!) USER MOD Single : A 73 HIS : no HD1:sc= -0.0997 X(o=-0.1,f=-0.035) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.46! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 51:sc= 0.139 USER MOD Single : A 81 GLN : amide:sc= -0.0883 X(o=-0.088,f=0) USER MOD Single : A 82 SER OG : rot -111:sc= 0.863 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 88 ASN : amide:sc= -0.454 X(o=-0.45,f=-0.15) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.511 F(o=-3.1!,f=-0.51) USER MOD Single : A 111 CYS SG : rot 164:sc= -12.4! USER MOD Single : A 114 SER OG : rot 72:sc= 0.383 USER MOD Single : A 117 LYS NZ :NH3+ 160:sc= 0.495 (180deg=-0.143) USER MOD Single : A 119 MET CE :methyl -156:sc= -3.59 (180deg=-7.4!) USER MOD Single : A 120 GLN : amide:sc= -4.51! C(o=-4.5!,f=-4.2!) USER MOD Single : A 124 SER OG : rot -80:sc= -0.714 USER MOD Single : A 130 MET CE :methyl 170:sc= -6.41! (180deg=-6.78!) USER MOD Single : A 132 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 143 GLN : amide:sc= -0.0221 K(o=-0.022,f=-0.62) USER MOD Single : A 145 ASN : amide:sc= 0.945 K(o=0.94,f=-0.34) USER MOD Single : A 150 THR OG1 : rot -130:sc= 0 USER MOD Single : A 155 TYR OH : rot 180:sc= -0.0562 USER MOD Single : A 158 ASN :FLIP amide:sc= -0.126 F(o=-0.63,f=-0.13) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 GLN : amide:sc= -0.11 K(o=-0.11,f=-5.2!) USER MOD Single : A 172 HIS : no HE2:sc= 1.04 K(o=1,f=-4.8!) USER MOD Single : A 173 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-6.9!) USER MOD Single : A 174 HIS : no HE2:sc= 1.05 K(o=1.1,f=-3.1!) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 176 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 177 HIS : no HD1:sc=-0.00234 X(o=-0.0023,f=-0.0023) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 183 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 184 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 185 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-0.92) USER MOD Single : B1016 ASN : amide:sc= -0.0278 K(o=-0.028,f=-1.1!) USER MOD Single : B1100 33B O62 : rot 180:sc= -5.66! USER MOD Single : B1100 33B O72 : rot 29:sc= 0.928 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.260 10.495 11.127 1.00 4.13 N ATOM 2 CA MET A 1 5.403 9.985 12.510 1.00 3.61 C ATOM 3 C MET A 1 4.377 8.894 12.795 1.00 2.48 C ATOM 4 O MET A 1 4.736 7.744 13.049 1.00 2.89 O ATOM 5 CB MET A 1 5.256 11.126 13.523 1.00 4.18 C ATOM 6 CG MET A 1 5.177 10.646 14.965 1.00 4.89 C ATOM 7 SD MET A 1 6.592 9.636 15.443 1.00 5.86 S ATOM 8 CE MET A 1 6.041 9.029 17.035 1.00 6.21 C ATOM 0 H1 MET A 1 5.568 11.488 11.089 1.00 4.13 H new ATOM 0 H2 MET A 1 5.847 9.925 10.485 1.00 4.13 H new ATOM 0 H3 MET A 1 4.264 10.431 10.835 1.00 4.13 H new ATOM 0 HA MET A 1 6.400 9.555 12.609 1.00 3.61 H new ATOM 0 HB2 MET A 1 6.102 11.805 13.420 1.00 4.18 H new ATOM 0 HB3 MET A 1 4.358 11.697 13.288 1.00 4.18 H new ATOM 0 HG2 MET A 1 5.112 11.509 15.627 1.00 4.89 H new ATOM 0 HG3 MET A 1 4.262 10.070 15.102 1.00 4.89 H new ATOM 0 HE1 MET A 1 6.809 8.385 17.465 1.00 6.21 H new ATOM 0 HE2 MET A 1 5.859 9.871 17.702 1.00 6.21 H new ATOM 0 HE3 MET A 1 5.120 8.460 16.909 1.00 6.21 H new ATOM 20 N SER A 2 3.102 9.255 12.753 1.00 1.64 N ATOM 21 CA SER A 2 2.037 8.309 13.036 1.00 0.95 C ATOM 22 C SER A 2 0.943 8.391 11.974 1.00 0.84 C ATOM 23 O SER A 2 0.687 7.422 11.269 1.00 1.03 O ATOM 24 CB SER A 2 1.461 8.565 14.431 1.00 1.55 C ATOM 25 OG SER A 2 2.464 8.429 15.430 1.00 1.87 O ATOM 0 H SER A 2 2.782 10.196 12.526 1.00 1.64 H new ATOM 0 HA SER A 2 2.452 7.301 13.012 1.00 0.95 H new ATOM 0 HB2 SER A 2 1.034 9.567 14.474 1.00 1.55 H new ATOM 0 HB3 SER A 2 0.650 7.864 14.627 1.00 1.55 H new ATOM 0 HG SER A 2 2.072 8.599 16.312 1.00 1.87 H new ATOM 31 N GLN A 3 0.332 9.567 11.830 1.00 0.73 N ATOM 32 CA GLN A 3 -0.769 9.751 10.877 1.00 0.73 C ATOM 33 C GLN A 3 -0.290 9.702 9.428 1.00 0.61 C ATOM 34 O GLN A 3 -1.087 9.850 8.502 1.00 0.64 O ATOM 35 CB GLN A 3 -1.509 11.070 11.124 1.00 0.83 C ATOM 36 CG GLN A 3 -2.468 11.031 12.303 1.00 1.13 C ATOM 37 CD GLN A 3 -1.762 10.953 13.639 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.658 11.469 13.801 1.00 2.42 O ATOM 39 NE2 GLN A 3 -2.391 10.302 14.601 1.00 2.22 N ATOM 0 H GLN A 3 0.577 10.405 12.357 1.00 0.73 H new ATOM 0 HA GLN A 3 -1.455 8.920 11.041 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.776 11.860 11.291 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.065 11.336 10.225 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.097 11.921 12.282 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.130 10.171 12.197 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -3.306 9.889 14.423 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -1.961 10.212 15.522 1.00 2.22 H new ATOM 48 N SER A 4 1.002 9.485 9.232 1.00 0.55 N ATOM 49 CA SER A 4 1.569 9.382 7.895 1.00 0.52 C ATOM 50 C SER A 4 1.022 8.151 7.165 1.00 0.45 C ATOM 51 O SER A 4 1.085 8.065 5.939 1.00 0.46 O ATOM 52 CB SER A 4 3.091 9.329 7.990 1.00 0.61 C ATOM 53 OG SER A 4 3.574 10.402 8.784 1.00 1.25 O ATOM 0 H SER A 4 1.681 9.376 9.986 1.00 0.55 H new ATOM 0 HA SER A 4 1.282 10.261 7.318 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.402 8.379 8.424 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.526 9.382 6.992 1.00 0.61 H new ATOM 0 HG SER A 4 3.180 11.243 8.472 1.00 1.25 H new ATOM 59 N ASN A 5 0.464 7.216 7.932 1.00 0.43 N ATOM 60 CA ASN A 5 -0.220 6.051 7.368 1.00 0.39 C ATOM 61 C ASN A 5 -1.380 6.478 6.472 1.00 0.35 C ATOM 62 O ASN A 5 -1.760 5.761 5.545 1.00 0.35 O ATOM 63 CB ASN A 5 -0.746 5.129 8.476 1.00 0.40 C ATOM 64 CG ASN A 5 -1.335 5.884 9.648 1.00 0.80 C ATOM 65 OD1 ASN A 5 -1.898 6.969 9.493 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.200 5.322 10.840 1.00 0.53 N ATOM 0 H ASN A 5 0.472 7.242 8.952 1.00 0.43 H new ATOM 0 HA ASN A 5 0.510 5.506 6.770 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.505 4.467 8.059 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.068 4.497 8.831 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.568 5.789 11.669 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.728 4.422 10.929 1.00 0.53 H new ATOM 73 N ARG A 6 -1.935 7.650 6.763 1.00 0.35 N ATOM 74 CA ARG A 6 -3.018 8.210 5.971 1.00 0.34 C ATOM 75 C ARG A 6 -2.577 8.388 4.526 1.00 0.31 C ATOM 76 O ARG A 6 -3.273 7.977 3.599 1.00 0.30 O ATOM 77 CB ARG A 6 -3.458 9.554 6.560 1.00 0.41 C ATOM 78 CG ARG A 6 -4.531 10.256 5.748 1.00 0.59 C ATOM 79 CD ARG A 6 -5.744 9.365 5.552 1.00 0.41 C ATOM 80 NE ARG A 6 -6.406 9.051 6.822 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.669 9.370 7.112 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.406 10.046 6.241 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.185 9.012 8.279 1.00 0.93 N ATOM 0 H ARG A 6 -1.648 8.233 7.549 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.863 7.522 5.994 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.829 9.393 7.572 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.589 10.208 6.639 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.830 11.175 6.253 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.127 10.543 4.777 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.452 9.858 4.886 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.439 8.439 5.064 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.865 8.556 7.531 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -8.008 10.325 5.344 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -9.371 10.287 6.468 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.617 8.495 8.951 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -9.150 9.253 8.506 1.00 0.93 H new ATOM 97 N GLU A 7 -1.403 8.976 4.361 1.00 0.30 N ATOM 98 CA GLU A 7 -0.834 9.239 3.045 1.00 0.29 C ATOM 99 C GLU A 7 -0.767 7.974 2.226 1.00 0.25 C ATOM 100 O GLU A 7 -1.147 7.948 1.060 1.00 0.26 O ATOM 101 CB GLU A 7 0.594 9.746 3.173 1.00 0.31 C ATOM 102 CG GLU A 7 0.755 11.023 3.952 1.00 0.40 C ATOM 103 CD GLU A 7 2.215 11.349 4.162 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.906 11.600 3.156 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.689 11.315 5.315 1.00 0.53 O ATOM 0 H GLU A 7 -0.816 9.285 5.135 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.474 9.979 2.566 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.196 8.971 3.648 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.000 9.896 2.173 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.269 11.841 3.420 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.257 10.930 4.917 1.00 0.40 H new ATOM 112 N LEU A 8 -0.253 6.936 2.862 1.00 0.26 N ATOM 113 CA LEU A 8 0.019 5.676 2.205 1.00 0.27 C ATOM 114 C LEU A 8 -1.259 5.130 1.588 1.00 0.28 C ATOM 115 O LEU A 8 -1.257 4.628 0.469 1.00 0.40 O ATOM 116 CB LEU A 8 0.612 4.693 3.218 1.00 0.34 C ATOM 117 CG LEU A 8 1.585 5.321 4.230 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.265 4.250 5.064 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.621 6.199 3.536 1.00 1.16 C ATOM 0 H LEU A 8 -0.013 6.947 3.853 1.00 0.26 H new ATOM 0 HA LEU A 8 0.743 5.823 1.403 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.204 4.220 3.765 1.00 0.34 H new ATOM 0 HB3 LEU A 8 1.133 3.904 2.676 1.00 0.34 H new ATOM 0 HG LEU A 8 1.001 5.956 4.896 1.00 0.41 H new ATOM 0 HD11 LEU A 8 2.948 4.719 5.772 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.512 3.681 5.609 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.824 3.580 4.410 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.292 6.627 4.280 1.00 1.16 H new ATOM 0 HD22 LEU A 8 3.196 5.597 2.832 1.00 1.16 H new ATOM 0 HD23 LEU A 8 2.116 7.002 2.999 1.00 1.16 H new ATOM 131 N VAL A 9 -2.355 5.277 2.319 1.00 0.23 N ATOM 132 CA VAL A 9 -3.666 4.916 1.814 1.00 0.23 C ATOM 133 C VAL A 9 -4.070 5.853 0.681 1.00 0.23 C ATOM 134 O VAL A 9 -4.295 5.427 -0.451 1.00 0.24 O ATOM 135 CB VAL A 9 -4.715 4.992 2.940 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.119 4.802 2.395 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.415 3.963 4.015 1.00 0.27 C ATOM 0 H VAL A 9 -2.358 5.647 3.270 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.619 3.894 1.438 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.661 5.986 3.385 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.838 4.861 3.212 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.335 5.583 1.665 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.194 3.826 1.915 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.165 4.030 4.803 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.436 2.964 3.579 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.428 4.154 4.437 1.00 0.27 H new ATOM 147 N VAL A 10 -4.135 7.136 1.008 1.00 0.23 N ATOM 148 CA VAL A 10 -4.618 8.163 0.091 1.00 0.25 C ATOM 149 C VAL A 10 -3.888 8.145 -1.247 1.00 0.25 C ATOM 150 O VAL A 10 -4.528 8.125 -2.301 1.00 0.27 O ATOM 151 CB VAL A 10 -4.472 9.552 0.730 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.963 10.642 -0.197 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.228 9.588 2.035 1.00 0.32 C ATOM 0 H VAL A 10 -3.854 7.497 1.920 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.668 7.944 -0.102 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.414 9.736 0.918 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.845 11.612 0.287 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.383 10.624 -1.119 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.016 10.477 -0.427 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.124 10.574 2.488 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.282 9.383 1.850 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.824 8.834 2.710 1.00 0.32 H new ATOM 163 N ASP A 11 -2.560 8.153 -1.203 1.00 0.26 N ATOM 164 CA ASP A 11 -1.754 8.203 -2.419 1.00 0.28 C ATOM 165 C ASP A 11 -2.099 7.045 -3.347 1.00 0.31 C ATOM 166 O ASP A 11 -2.151 7.207 -4.570 1.00 0.35 O ATOM 167 CB ASP A 11 -0.261 8.169 -2.085 1.00 0.32 C ATOM 168 CG ASP A 11 0.609 8.348 -3.315 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.704 9.490 -3.816 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.199 7.355 -3.787 1.00 0.49 O ATOM 0 H ASP A 11 -2.018 8.126 -0.339 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.980 9.141 -2.927 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.034 8.955 -1.365 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.020 7.220 -1.607 1.00 0.32 H new ATOM 175 N PHE A 12 -2.370 5.886 -2.764 1.00 0.32 N ATOM 176 CA PHE A 12 -2.689 4.713 -3.549 1.00 0.38 C ATOM 177 C PHE A 12 -4.086 4.820 -4.135 1.00 0.34 C ATOM 178 O PHE A 12 -4.272 4.570 -5.325 1.00 0.39 O ATOM 179 CB PHE A 12 -2.572 3.443 -2.721 1.00 0.46 C ATOM 180 CG PHE A 12 -2.533 2.194 -3.556 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.382 1.845 -4.245 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.641 1.371 -3.652 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.337 0.699 -5.012 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.602 0.223 -4.420 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.449 -0.113 -5.100 1.00 1.61 C ATOM 0 H PHE A 12 -2.374 5.738 -1.755 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.966 4.660 -4.363 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.668 3.495 -2.114 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.416 3.386 -2.033 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.509 2.478 -4.181 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.546 1.628 -3.121 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.433 0.438 -5.542 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.474 -0.411 -4.488 1.00 1.38 H new ATOM 0 HZ PHE A 12 -2.417 -1.010 -5.700 1.00 1.61 H new ATOM 195 N LEU A 13 -5.071 5.199 -3.314 1.00 0.28 N ATOM 196 CA LEU A 13 -6.430 5.352 -3.819 1.00 0.28 C ATOM 197 C LEU A 13 -6.452 6.389 -4.936 1.00 0.30 C ATOM 198 O LEU A 13 -7.137 6.211 -5.939 1.00 0.34 O ATOM 199 CB LEU A 13 -7.428 5.720 -2.707 1.00 0.25 C ATOM 200 CG LEU A 13 -7.969 4.532 -1.895 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.026 4.137 -0.787 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.346 4.830 -1.329 1.00 0.27 C ATOM 0 H LEU A 13 -4.954 5.400 -2.321 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.748 4.388 -4.217 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.944 6.417 -2.023 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.270 6.246 -3.156 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.053 3.691 -2.584 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.444 3.294 -0.237 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.064 3.851 -1.213 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.887 4.980 -0.110 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.700 3.970 -0.760 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.290 5.700 -0.674 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.038 5.035 -2.145 1.00 0.27 H new ATOM 214 N SER A 14 -5.659 7.442 -4.773 1.00 0.29 N ATOM 215 CA SER A 14 -5.510 8.465 -5.805 1.00 0.33 C ATOM 216 C SER A 14 -5.082 7.841 -7.131 1.00 0.37 C ATOM 217 O SER A 14 -5.697 8.079 -8.172 1.00 0.42 O ATOM 218 CB SER A 14 -4.478 9.508 -5.373 1.00 0.33 C ATOM 219 OG SER A 14 -4.813 10.078 -4.119 1.00 1.05 O ATOM 0 H SER A 14 -5.106 7.611 -3.932 1.00 0.29 H new ATOM 0 HA SER A 14 -6.477 8.949 -5.941 1.00 0.33 H new ATOM 0 HB2 SER A 14 -3.493 9.044 -5.312 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.415 10.293 -6.126 1.00 0.33 H new ATOM 0 HG SER A 14 -4.679 9.413 -3.411 1.00 1.05 H new ATOM 225 N TYR A 15 -4.037 7.022 -7.079 1.00 0.37 N ATOM 226 CA TYR A 15 -3.523 6.361 -8.272 1.00 0.45 C ATOM 227 C TYR A 15 -4.561 5.393 -8.835 1.00 0.43 C ATOM 228 O TYR A 15 -4.649 5.190 -10.046 1.00 0.55 O ATOM 229 CB TYR A 15 -2.226 5.612 -7.947 1.00 0.52 C ATOM 230 CG TYR A 15 -1.492 5.113 -9.172 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.578 5.925 -9.828 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.713 3.837 -9.675 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.094 5.483 -10.948 1.00 0.89 C ATOM 234 CE2 TYR A 15 -1.046 3.386 -10.798 1.00 1.06 C ATOM 235 CZ TYR A 15 -0.143 4.215 -11.430 1.00 1.03 C ATOM 236 OH TYR A 15 0.527 3.775 -12.550 1.00 1.22 O ATOM 0 H TYR A 15 -3.529 6.800 -6.223 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.311 7.121 -9.024 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.567 6.272 -7.382 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.458 4.764 -7.302 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.390 6.921 -9.455 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -2.418 3.186 -9.180 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.803 6.128 -11.445 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -1.230 2.392 -11.178 1.00 1.06 H new ATOM 0 HH TYR A 15 0.248 2.859 -12.759 1.00 1.22 H new ATOM 246 N LYS A 16 -5.355 4.811 -7.946 1.00 0.33 N ATOM 247 CA LYS A 16 -6.372 3.844 -8.338 1.00 0.33 C ATOM 248 C LYS A 16 -7.423 4.477 -9.210 1.00 0.33 C ATOM 249 O LYS A 16 -7.816 3.909 -10.215 1.00 0.42 O ATOM 250 CB LYS A 16 -7.023 3.210 -7.112 1.00 0.34 C ATOM 251 CG LYS A 16 -6.095 2.307 -6.313 1.00 0.61 C ATOM 252 CD LYS A 16 -5.313 1.344 -7.198 1.00 0.57 C ATOM 253 CE LYS A 16 -4.018 1.973 -7.696 1.00 1.18 C ATOM 254 NZ LYS A 16 -3.162 1.000 -8.418 1.00 1.41 N ATOM 0 H LYS A 16 -5.314 4.993 -6.943 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.874 3.064 -8.913 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.392 4.001 -6.460 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.889 2.631 -7.432 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.397 2.921 -5.744 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.680 1.738 -5.591 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.087 0.436 -6.639 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.927 1.050 -8.049 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.252 2.808 -8.357 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.466 2.382 -6.850 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.195 1.040 -8.038 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.544 0.041 -8.292 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.146 1.236 -9.431 1.00 1.41 H new ATOM 268 N LEU A 17 -7.869 5.655 -8.838 1.00 0.33 N ATOM 269 CA LEU A 17 -8.867 6.350 -9.645 1.00 0.32 C ATOM 270 C LEU A 17 -8.237 6.853 -10.936 1.00 0.35 C ATOM 271 O LEU A 17 -8.894 6.922 -11.977 1.00 0.36 O ATOM 272 CB LEU A 17 -9.516 7.511 -8.883 1.00 0.35 C ATOM 273 CG LEU A 17 -10.492 7.116 -7.772 1.00 0.53 C ATOM 274 CD1 LEU A 17 -11.011 5.700 -7.964 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.832 7.277 -6.424 1.00 1.15 C ATOM 0 H LEU A 17 -7.569 6.151 -7.999 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.655 5.635 -9.881 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.725 8.121 -8.446 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -10.045 8.140 -9.599 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.354 7.782 -7.820 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.701 5.453 -7.157 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.530 5.629 -8.920 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.175 5.001 -7.953 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.534 6.994 -5.639 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.951 6.637 -6.371 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.534 8.316 -6.287 1.00 1.15 H new ATOM 287 N SER A 18 -6.951 7.161 -10.864 1.00 0.41 N ATOM 288 CA SER A 18 -6.213 7.690 -12.001 1.00 0.48 C ATOM 289 C SER A 18 -6.211 6.699 -13.172 1.00 0.51 C ATOM 290 O SER A 18 -6.379 7.094 -14.327 1.00 0.58 O ATOM 291 CB SER A 18 -4.780 8.018 -11.573 1.00 0.57 C ATOM 292 OG SER A 18 -4.108 8.793 -12.550 1.00 0.94 O ATOM 0 H SER A 18 -6.391 7.052 -10.019 1.00 0.41 H new ATOM 0 HA SER A 18 -6.705 8.601 -12.342 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.797 8.559 -10.627 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.230 7.093 -11.401 1.00 0.57 H new ATOM 0 HG SER A 18 -3.197 8.986 -12.245 1.00 0.94 H new ATOM 298 N GLN A 19 -6.059 5.411 -12.867 1.00 0.52 N ATOM 299 CA GLN A 19 -6.007 4.372 -13.900 1.00 0.57 C ATOM 300 C GLN A 19 -7.395 4.012 -14.419 1.00 0.51 C ATOM 301 O GLN A 19 -7.543 3.152 -15.286 1.00 0.59 O ATOM 302 CB GLN A 19 -5.308 3.123 -13.367 1.00 0.68 C ATOM 303 CG GLN A 19 -5.813 2.700 -12.007 1.00 0.84 C ATOM 304 CD GLN A 19 -5.214 1.398 -11.526 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.158 1.378 -10.898 1.00 1.37 O ATOM 306 NE2 GLN A 19 -5.902 0.302 -11.795 1.00 1.19 N ATOM 0 H GLN A 19 -5.970 5.060 -11.914 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.435 4.776 -14.735 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.451 2.304 -14.072 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.236 3.310 -13.308 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -5.589 3.484 -11.284 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -6.898 2.601 -12.044 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -6.775 0.363 -12.320 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -5.560 -0.605 -11.478 1.00 1.19 H new ATOM 315 N LYS A 20 -8.408 4.669 -13.887 1.00 0.45 N ATOM 316 CA LYS A 20 -9.783 4.433 -14.310 1.00 0.49 C ATOM 317 C LYS A 20 -10.293 5.653 -15.036 1.00 0.48 C ATOM 318 O LYS A 20 -11.182 5.581 -15.883 1.00 0.53 O ATOM 319 CB LYS A 20 -10.672 4.168 -13.102 1.00 0.57 C ATOM 320 CG LYS A 20 -9.981 3.399 -12.001 1.00 0.49 C ATOM 321 CD LYS A 20 -9.536 2.021 -12.454 1.00 1.20 C ATOM 322 CE LYS A 20 -10.700 1.218 -13.005 1.00 1.75 C ATOM 323 NZ LYS A 20 -10.277 -0.123 -13.485 1.00 2.20 N ATOM 0 H LYS A 20 -8.308 5.375 -13.157 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.806 3.564 -14.967 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.023 5.120 -12.704 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.553 3.613 -13.424 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.115 3.963 -11.655 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.656 3.299 -11.151 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.765 2.119 -13.218 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.088 1.487 -11.616 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.459 1.103 -12.231 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.162 1.767 -13.825 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.103 -0.637 -13.853 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -9.572 -0.014 -14.242 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -9.859 -0.658 -12.697 1.00 2.20 H new ATOM 337 N GLY A 21 -9.714 6.775 -14.672 1.00 0.45 N ATOM 338 CA GLY A 21 -10.068 8.040 -15.271 1.00 0.49 C ATOM 339 C GLY A 21 -10.956 8.856 -14.365 1.00 0.47 C ATOM 340 O GLY A 21 -11.662 9.760 -14.811 1.00 0.53 O ATOM 0 H GLY A 21 -8.989 6.836 -13.957 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -9.162 8.603 -15.496 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.578 7.864 -16.218 1.00 0.49 H new ATOM 344 N TYR A 22 -10.922 8.522 -13.086 1.00 0.40 N ATOM 345 CA TYR A 22 -11.629 9.278 -12.070 1.00 0.37 C ATOM 346 C TYR A 22 -10.630 10.046 -11.229 1.00 0.36 C ATOM 347 O TYR A 22 -9.426 9.800 -11.309 1.00 0.38 O ATOM 348 CB TYR A 22 -12.451 8.360 -11.164 1.00 0.34 C ATOM 349 CG TYR A 22 -13.649 7.727 -11.844 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.487 6.717 -12.784 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.940 8.140 -11.542 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.577 6.136 -13.403 1.00 0.60 C ATOM 353 CE2 TYR A 22 -16.037 7.561 -12.155 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.850 6.560 -13.085 1.00 0.62 C ATOM 355 OH TYR A 22 -16.941 5.978 -13.696 1.00 0.76 O ATOM 0 H TYR A 22 -10.404 7.721 -12.725 1.00 0.40 H new ATOM 0 HA TYR A 22 -12.311 9.966 -12.570 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.804 7.570 -10.783 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.796 8.932 -10.303 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.492 6.380 -13.035 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -15.090 8.926 -10.817 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.433 5.353 -14.133 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -17.035 7.891 -11.906 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.763 6.391 -13.359 1.00 0.76 H new ATOM 365 N SER A 23 -11.116 10.974 -10.434 1.00 0.37 N ATOM 366 CA SER A 23 -10.254 11.709 -9.549 1.00 0.39 C ATOM 367 C SER A 23 -10.522 11.321 -8.110 1.00 0.35 C ATOM 368 O SER A 23 -11.660 11.056 -7.725 1.00 0.34 O ATOM 369 CB SER A 23 -10.473 13.200 -9.721 1.00 0.45 C ATOM 370 OG SER A 23 -9.353 13.939 -9.264 1.00 0.52 O ATOM 0 H SER A 23 -12.101 11.233 -10.386 1.00 0.37 H new ATOM 0 HA SER A 23 -9.221 11.467 -9.797 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.656 13.424 -10.772 1.00 0.45 H new ATOM 0 HB3 SER A 23 -11.363 13.505 -9.170 1.00 0.45 H new ATOM 0 HG SER A 23 -9.520 14.897 -9.388 1.00 0.52 H new ATOM 376 N TRP A 24 -9.467 11.294 -7.324 1.00 0.37 N ATOM 377 CA TRP A 24 -9.590 11.044 -5.907 1.00 0.36 C ATOM 378 C TRP A 24 -10.150 12.279 -5.212 1.00 0.35 C ATOM 379 O TRP A 24 -11.109 12.188 -4.453 1.00 0.34 O ATOM 380 CB TRP A 24 -8.230 10.652 -5.315 1.00 0.45 C ATOM 381 CG TRP A 24 -8.022 11.138 -3.913 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.533 10.601 -2.769 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.246 12.274 -3.515 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.136 11.346 -1.685 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.341 12.374 -2.118 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.483 13.218 -4.209 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.703 13.381 -1.400 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.849 14.216 -3.495 1.00 3.36 C ATOM 389 CH2 TRP A 24 -5.962 14.290 -2.103 1.00 3.13 C ATOM 0 H TRP A 24 -8.511 11.443 -7.646 1.00 0.37 H new ATOM 0 HA TRP A 24 -10.279 10.214 -5.748 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -8.136 9.566 -5.332 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.439 11.051 -5.950 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.157 9.721 -2.722 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.392 11.163 -0.715 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.391 13.168 -5.284 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -6.790 13.442 -0.325 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.257 14.951 -4.020 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.454 15.081 -1.572 1.00 3.13 H new ATOM 400 N SER A 25 -9.569 13.433 -5.517 1.00 0.39 N ATOM 401 CA SER A 25 -9.902 14.669 -4.826 1.00 0.44 C ATOM 402 C SER A 25 -11.339 15.108 -5.103 1.00 0.43 C ATOM 403 O SER A 25 -11.990 15.700 -4.243 1.00 0.49 O ATOM 404 CB SER A 25 -8.912 15.762 -5.222 1.00 0.53 C ATOM 405 OG SER A 25 -8.564 15.658 -6.595 1.00 1.37 O ATOM 0 H SER A 25 -8.861 13.537 -6.243 1.00 0.39 H new ATOM 0 HA SER A 25 -9.828 14.489 -3.753 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.348 16.742 -5.027 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.014 15.685 -4.608 1.00 0.53 H new ATOM 0 HG SER A 25 -7.930 16.369 -6.827 1.00 1.37 H new ATOM 411 N GLN A 26 -11.846 14.797 -6.295 1.00 0.40 N ATOM 412 CA GLN A 26 -13.226 15.131 -6.638 1.00 0.42 C ATOM 413 C GLN A 26 -14.208 14.429 -5.710 1.00 0.38 C ATOM 414 O GLN A 26 -15.333 14.884 -5.509 1.00 0.41 O ATOM 415 CB GLN A 26 -13.533 14.750 -8.077 1.00 0.47 C ATOM 416 CG GLN A 26 -12.786 15.589 -9.087 1.00 0.59 C ATOM 417 CD GLN A 26 -13.240 15.333 -10.508 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.699 14.241 -10.837 1.00 1.11 O ATOM 419 NE2 GLN A 26 -13.115 16.335 -11.359 1.00 1.10 N ATOM 0 H GLN A 26 -11.328 14.319 -7.032 1.00 0.40 H new ATOM 0 HA GLN A 26 -13.338 16.209 -6.521 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -13.282 13.700 -8.230 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.604 14.850 -8.252 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.924 16.644 -8.850 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.719 15.381 -9.008 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.729 17.225 -11.045 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -13.404 16.218 -12.330 1.00 1.10 H new ATOM 428 N PHE A 27 -13.770 13.312 -5.156 1.00 0.35 N ATOM 429 CA PHE A 27 -14.607 12.483 -4.311 1.00 0.38 C ATOM 430 C PHE A 27 -13.997 12.324 -2.923 1.00 0.43 C ATOM 431 O PHE A 27 -14.387 11.438 -2.159 1.00 0.67 O ATOM 432 CB PHE A 27 -14.776 11.125 -4.984 1.00 0.43 C ATOM 433 CG PHE A 27 -15.473 11.231 -6.310 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.809 11.593 -6.379 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.784 10.997 -7.490 1.00 0.94 C ATOM 436 CE1 PHE A 27 -17.445 11.714 -7.599 1.00 1.16 C ATOM 437 CE2 PHE A 27 -15.414 11.120 -8.713 1.00 1.20 C ATOM 438 CZ PHE A 27 -16.746 11.478 -8.767 1.00 1.28 C ATOM 0 H PHE A 27 -12.823 12.955 -5.280 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.580 12.958 -4.183 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.797 10.668 -5.126 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.344 10.465 -4.329 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -17.359 11.783 -5.469 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.742 10.715 -7.453 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -18.488 11.993 -7.640 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -14.866 10.936 -9.625 1.00 1.20 H new ATOM 0 HZ PHE A 27 -17.241 11.574 -9.722 1.00 1.28 H new ATOM 448 N SER A 28 -13.065 13.204 -2.588 1.00 0.39 N ATOM 449 CA SER A 28 -12.289 13.053 -1.372 1.00 0.42 C ATOM 450 C SER A 28 -12.798 13.938 -0.246 1.00 0.58 C ATOM 451 O SER A 28 -13.801 14.638 -0.382 1.00 1.01 O ATOM 452 CB SER A 28 -10.812 13.338 -1.635 1.00 0.62 C ATOM 453 OG SER A 28 -10.561 14.725 -1.805 1.00 1.81 O ATOM 0 H SER A 28 -12.830 14.028 -3.142 1.00 0.39 H new ATOM 0 HA SER A 28 -12.404 12.017 -1.052 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.216 12.961 -0.804 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.492 12.799 -2.527 1.00 0.62 H new ATOM 0 HG SER A 28 -11.408 15.217 -1.772 1.00 1.81 H new ATOM 459 N ASP A 29 -12.094 13.860 0.870 1.00 0.63 N ATOM 460 CA ASP A 29 -12.427 14.589 2.084 1.00 0.84 C ATOM 461 C ASP A 29 -11.299 14.417 3.093 1.00 0.88 C ATOM 462 O ASP A 29 -11.075 15.272 3.951 1.00 1.03 O ATOM 463 CB ASP A 29 -13.744 14.070 2.663 1.00 1.04 C ATOM 464 CG ASP A 29 -14.009 14.563 4.072 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.556 15.670 4.222 1.00 1.85 O ATOM 466 OD2 ASP A 29 -13.675 13.842 5.035 1.00 2.31 O ATOM 0 H ASP A 29 -11.261 13.279 0.961 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.547 15.648 1.855 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.565 14.379 2.016 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.730 12.980 2.662 1.00 1.04 H new ATOM 471 N VAL A 30 -10.560 13.322 2.908 1.00 0.80 N ATOM 472 CA VAL A 30 -9.497 12.884 3.811 1.00 0.82 C ATOM 473 C VAL A 30 -8.547 14.023 4.201 1.00 0.82 C ATOM 474 O VAL A 30 -8.554 14.472 5.341 1.00 0.92 O ATOM 475 CB VAL A 30 -8.711 11.713 3.164 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.540 10.438 3.193 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.323 12.037 1.724 1.00 0.76 C ATOM 0 H VAL A 30 -10.687 12.702 2.108 1.00 0.80 H new ATOM 0 HA VAL A 30 -9.968 12.544 4.733 1.00 0.82 H new ATOM 0 HB VAL A 30 -7.800 11.566 3.744 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -8.975 9.626 2.736 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -9.775 10.180 4.226 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.466 10.593 2.639 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -7.774 11.198 1.298 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.223 12.218 1.136 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.695 12.928 1.708 1.00 0.76 H new ATOM 487 N GLU A 31 -7.732 14.479 3.261 1.00 0.78 N ATOM 488 CA GLU A 31 -6.853 15.614 3.500 1.00 0.83 C ATOM 489 C GLU A 31 -7.467 16.861 2.886 1.00 0.88 C ATOM 490 O GLU A 31 -6.899 17.954 2.942 1.00 0.98 O ATOM 491 CB GLU A 31 -5.452 15.367 2.928 1.00 0.93 C ATOM 492 CG GLU A 31 -5.433 15.064 1.439 1.00 1.05 C ATOM 493 CD GLU A 31 -4.029 15.053 0.869 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.370 13.993 0.913 1.00 2.74 O ATOM 495 OE2 GLU A 31 -3.572 16.112 0.380 1.00 2.46 O ATOM 0 H GLU A 31 -7.661 14.080 2.325 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.745 15.752 4.576 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.834 16.245 3.117 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.995 14.535 3.463 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -5.901 14.096 1.262 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -6.030 15.808 0.912 1.00 1.05 H new ATOM 502 N GLU A 32 -8.643 16.673 2.303 1.00 0.87 N ATOM 503 CA GLU A 32 -9.343 17.733 1.604 1.00 0.98 C ATOM 504 C GLU A 32 -9.821 18.803 2.578 1.00 1.09 C ATOM 505 O GLU A 32 -9.522 19.988 2.421 1.00 1.24 O ATOM 506 CB GLU A 32 -10.529 17.146 0.840 1.00 0.98 C ATOM 507 CG GLU A 32 -11.447 18.195 0.236 1.00 1.12 C ATOM 508 CD GLU A 32 -12.593 17.592 -0.544 1.00 1.20 C ATOM 509 OE1 GLU A 32 -12.331 16.828 -1.500 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.759 17.869 -0.201 1.00 1.17 O ATOM 0 H GLU A 32 -9.136 15.780 2.303 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.655 18.201 0.900 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.154 16.502 0.044 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.108 16.515 1.514 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.846 18.823 1.032 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.867 18.843 -0.421 1.00 1.12 H new ATOM 517 N ASN A 33 -10.553 18.376 3.594 1.00 1.09 N ATOM 518 CA ASN A 33 -11.156 19.304 4.533 1.00 1.27 C ATOM 519 C ASN A 33 -10.355 19.383 5.822 1.00 1.32 C ATOM 520 O ASN A 33 -10.339 20.414 6.491 1.00 1.68 O ATOM 521 CB ASN A 33 -12.597 18.890 4.818 1.00 1.36 C ATOM 522 CG ASN A 33 -13.478 19.011 3.590 1.00 1.48 C ATOM 523 OD1 ASN A 33 -14.042 20.070 3.316 1.00 1.87 O ATOM 524 ND2 ASN A 33 -13.609 17.922 2.845 1.00 1.35 N ATOM 0 H ASN A 33 -10.743 17.393 3.788 1.00 1.09 H new ATOM 0 HA ASN A 33 -11.154 20.297 4.084 1.00 1.27 H new ATOM 0 HB2 ASN A 33 -12.614 17.861 5.176 1.00 1.36 H new ATOM 0 HB3 ASN A 33 -13.001 19.512 5.617 1.00 1.36 H new ATOM 0 HD21 ASN A 33 -14.194 17.943 2.010 1.00 1.35 H new ATOM 0 HD22 ASN A 33 -13.124 17.064 3.107 1.00 1.35 H new ATOM 531 N ARG A 34 -9.683 18.297 6.164 1.00 1.22 N ATOM 532 CA ARG A 34 -8.832 18.273 7.342 1.00 1.29 C ATOM 533 C ARG A 34 -7.433 17.832 6.953 1.00 1.17 C ATOM 534 O ARG A 34 -7.258 17.068 6.008 1.00 1.24 O ATOM 535 CB ARG A 34 -9.405 17.334 8.406 1.00 1.50 C ATOM 536 CG ARG A 34 -9.425 15.870 7.993 1.00 1.52 C ATOM 537 CD ARG A 34 -10.063 14.997 9.059 1.00 1.91 C ATOM 538 NE ARG A 34 -11.504 15.220 9.160 1.00 2.18 N ATOM 539 CZ ARG A 34 -12.177 15.257 10.308 1.00 2.65 C ATOM 540 NH1 ARG A 34 -11.532 15.165 11.469 1.00 2.89 N ATOM 541 NH2 ARG A 34 -13.498 15.403 10.296 1.00 3.39 N ATOM 0 H ARG A 34 -9.710 17.420 5.643 1.00 1.22 H new ATOM 0 HA ARG A 34 -8.789 19.278 7.763 1.00 1.29 H new ATOM 0 HB2 ARG A 34 -8.819 17.435 9.319 1.00 1.50 H new ATOM 0 HB3 ARG A 34 -10.421 17.648 8.644 1.00 1.50 H new ATOM 0 HG2 ARG A 34 -9.974 15.763 7.058 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -8.406 15.530 7.805 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -9.874 13.948 8.830 1.00 1.91 H new ATOM 0 HD3 ARG A 34 -9.596 15.202 10.022 1.00 1.91 H new ATOM 0 HE ARG A 34 -12.028 15.356 8.295 1.00 2.18 H new ATOM 0 HH11 ARG A 34 -10.517 15.066 11.482 1.00 2.89 H new ATOM 0 HH12 ARG A 34 -12.053 15.194 12.345 1.00 2.89 H new ATOM 0 HH21 ARG A 34 -13.994 15.486 9.409 1.00 3.39 H new ATOM 0 HH22 ARG A 34 -14.016 15.432 11.174 1.00 3.39 H new ATOM 555 N THR A 35 -6.438 18.321 7.660 1.00 1.31 N ATOM 556 CA THR A 35 -5.069 17.949 7.365 1.00 1.39 C ATOM 557 C THR A 35 -4.532 16.966 8.390 1.00 1.34 C ATOM 558 O THR A 35 -4.284 17.312 9.549 1.00 1.55 O ATOM 559 CB THR A 35 -4.143 19.170 7.286 1.00 1.82 C ATOM 560 OG1 THR A 35 -4.387 20.062 8.383 1.00 2.05 O ATOM 561 CG2 THR A 35 -4.322 19.905 5.970 1.00 2.25 C ATOM 0 H THR A 35 -6.548 18.972 8.437 1.00 1.31 H new ATOM 0 HA THR A 35 -5.084 17.470 6.386 1.00 1.39 H new ATOM 0 HB THR A 35 -3.115 18.812 7.345 1.00 1.82 H new ATOM 0 HG1 THR A 35 -4.441 19.549 9.216 1.00 2.05 H new ATOM 0 HG21 THR A 35 -3.654 20.766 5.940 1.00 2.25 H new ATOM 0 HG22 THR A 35 -4.086 19.234 5.144 1.00 2.25 H new ATOM 0 HG23 THR A 35 -5.354 20.243 5.880 1.00 2.25 H new ATOM 569 N GLU A 36 -4.384 15.731 7.955 1.00 1.44 N ATOM 570 CA GLU A 36 -3.883 14.669 8.807 1.00 1.68 C ATOM 571 C GLU A 36 -2.365 14.600 8.708 1.00 1.43 C ATOM 572 O GLU A 36 -1.650 15.113 9.568 1.00 1.46 O ATOM 573 CB GLU A 36 -4.497 13.326 8.399 1.00 2.17 C ATOM 574 CG GLU A 36 -6.018 13.317 8.411 1.00 2.49 C ATOM 575 CD GLU A 36 -6.591 13.511 9.798 1.00 2.96 C ATOM 576 OE1 GLU A 36 -6.777 12.505 10.513 1.00 3.30 O ATOM 577 OE2 GLU A 36 -6.854 14.667 10.186 1.00 3.34 O ATOM 0 H GLU A 36 -4.606 15.435 7.005 1.00 1.44 H new ATOM 0 HA GLU A 36 -4.164 14.882 9.838 1.00 1.68 H new ATOM 0 HB2 GLU A 36 -4.149 13.067 7.399 1.00 2.17 H new ATOM 0 HB3 GLU A 36 -4.133 12.551 9.073 1.00 2.17 H new ATOM 0 HG2 GLU A 36 -6.387 14.106 7.756 1.00 2.49 H new ATOM 0 HG3 GLU A 36 -6.375 12.371 8.004 1.00 2.49 H new ATOM 584 N ALA A 37 -1.887 13.964 7.651 1.00 1.50 N ATOM 585 CA ALA A 37 -0.463 13.865 7.390 1.00 1.39 C ATOM 586 C ALA A 37 -0.040 14.844 6.299 1.00 1.27 C ATOM 587 O ALA A 37 -0.874 15.291 5.505 1.00 1.58 O ATOM 588 CB ALA A 37 -0.108 12.442 6.993 1.00 1.92 C ATOM 0 H ALA A 37 -2.473 13.504 6.954 1.00 1.50 H new ATOM 0 HA ALA A 37 0.075 14.124 8.302 1.00 1.39 H new ATOM 0 HB1 ALA A 37 0.962 12.375 6.798 1.00 1.92 H new ATOM 0 HB2 ALA A 37 -0.373 11.762 7.802 1.00 1.92 H new ATOM 0 HB3 ALA A 37 -0.658 12.167 6.093 1.00 1.92 H new ATOM 594 N PRO A 38 1.255 15.210 6.268 1.00 1.10 N ATOM 595 CA PRO A 38 1.846 16.011 5.181 1.00 1.43 C ATOM 596 C PRO A 38 1.692 15.357 3.803 1.00 1.79 C ATOM 597 O PRO A 38 1.058 14.311 3.660 1.00 1.87 O ATOM 598 CB PRO A 38 3.330 16.096 5.576 1.00 1.34 C ATOM 599 CG PRO A 38 3.333 15.900 7.046 1.00 1.26 C ATOM 600 CD PRO A 38 2.240 14.913 7.320 1.00 1.01 C ATOM 0 HA PRO A 38 1.356 16.979 5.080 1.00 1.43 H new ATOM 0 HB2 PRO A 38 3.920 15.330 5.072 1.00 1.34 H new ATOM 0 HB3 PRO A 38 3.759 17.060 5.303 1.00 1.34 H new ATOM 0 HG2 PRO A 38 4.297 15.524 7.390 1.00 1.26 H new ATOM 0 HG3 PRO A 38 3.153 16.840 7.568 1.00 1.26 H new ATOM 0 HD2 PRO A 38 2.599 13.886 7.258 1.00 1.01 H new ATOM 0 HD3 PRO A 38 1.818 15.044 8.317 1.00 1.01 H new ATOM 608 N GLU A 39 2.275 15.979 2.788 1.00 2.28 N ATOM 609 CA GLU A 39 2.214 15.455 1.434 1.00 2.76 C ATOM 610 C GLU A 39 3.239 14.341 1.246 1.00 2.66 C ATOM 611 O GLU A 39 3.236 13.628 0.240 1.00 3.08 O ATOM 612 CB GLU A 39 2.439 16.572 0.406 1.00 3.38 C ATOM 613 CG GLU A 39 3.697 17.398 0.644 1.00 3.52 C ATOM 614 CD GLU A 39 3.513 18.484 1.684 1.00 4.22 C ATOM 615 OE1 GLU A 39 3.729 18.204 2.882 1.00 4.64 O ATOM 616 OE2 GLU A 39 3.158 19.619 1.310 1.00 4.44 O ATOM 0 H GLU A 39 2.797 16.850 2.879 1.00 2.28 H new ATOM 0 HA GLU A 39 1.219 15.041 1.274 1.00 2.76 H new ATOM 0 HB2 GLU A 39 2.492 16.129 -0.589 1.00 3.38 H new ATOM 0 HB3 GLU A 39 1.575 17.237 0.414 1.00 3.38 H new ATOM 0 HG2 GLU A 39 4.504 16.736 0.959 1.00 3.52 H new ATOM 0 HG3 GLU A 39 4.007 17.854 -0.296 1.00 3.52 H new ATOM 623 N GLY A 40 4.118 14.201 2.224 1.00 2.15 N ATOM 624 CA GLY A 40 5.117 13.156 2.187 1.00 2.04 C ATOM 625 C GLY A 40 6.197 13.379 3.215 1.00 1.57 C ATOM 626 O GLY A 40 7.362 13.560 2.864 1.00 1.75 O ATOM 0 H GLY A 40 4.157 14.798 3.050 1.00 2.15 H new ATOM 0 HA2 GLY A 40 4.641 12.191 2.363 1.00 2.04 H new ATOM 0 HA3 GLY A 40 5.563 13.115 1.193 1.00 2.04 H new ATOM 630 N THR A 41 5.820 13.356 4.492 1.00 1.12 N ATOM 631 CA THR A 41 6.767 13.664 5.552 1.00 0.86 C ATOM 632 C THR A 41 7.840 12.571 5.648 1.00 0.75 C ATOM 633 O THR A 41 8.973 12.763 5.202 1.00 0.85 O ATOM 634 CB THR A 41 6.041 13.843 6.911 1.00 0.80 C ATOM 635 OG1 THR A 41 6.972 13.792 8.001 1.00 0.95 O ATOM 636 CG2 THR A 41 4.957 12.791 7.108 1.00 0.91 C ATOM 0 H THR A 41 4.878 13.130 4.811 1.00 1.12 H new ATOM 0 HA THR A 41 7.257 14.607 5.307 1.00 0.86 H new ATOM 0 HB THR A 41 5.568 14.825 6.896 1.00 0.80 H new ATOM 0 HG1 THR A 41 6.492 13.909 8.847 1.00 0.95 H new ATOM 0 HG21 THR A 41 4.469 12.947 8.070 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.220 12.875 6.310 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.405 11.798 7.085 1.00 0.91 H new ATOM 644 N GLU A 42 7.477 11.427 6.210 1.00 0.69 N ATOM 645 CA GLU A 42 8.325 10.247 6.171 1.00 0.66 C ATOM 646 C GLU A 42 7.930 9.398 4.984 1.00 0.54 C ATOM 647 O GLU A 42 8.746 8.720 4.358 1.00 0.56 O ATOM 648 CB GLU A 42 8.163 9.429 7.450 1.00 0.74 C ATOM 649 CG GLU A 42 6.786 8.794 7.621 1.00 0.65 C ATOM 650 CD GLU A 42 6.707 7.951 8.874 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.378 6.898 8.931 1.00 2.02 O ATOM 652 OE2 GLU A 42 6.010 8.358 9.826 1.00 1.17 O ATOM 0 H GLU A 42 6.594 11.292 6.702 1.00 0.69 H new ATOM 0 HA GLU A 42 9.366 10.560 6.084 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.917 8.642 7.461 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.362 10.073 8.307 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.028 9.576 7.661 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.561 8.176 6.752 1.00 0.65 H new ATOM 659 N SER A 43 6.646 9.474 4.692 1.00 0.48 N ATOM 660 CA SER A 43 5.999 8.607 3.739 1.00 0.43 C ATOM 661 C SER A 43 6.590 8.690 2.351 1.00 0.43 C ATOM 662 O SER A 43 6.479 7.739 1.612 1.00 0.49 O ATOM 663 CB SER A 43 4.532 8.942 3.663 1.00 0.50 C ATOM 664 OG SER A 43 3.890 8.743 4.907 1.00 1.25 O ATOM 0 H SER A 43 6.017 10.153 5.120 1.00 0.48 H new ATOM 0 HA SER A 43 6.154 7.589 4.096 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.410 9.979 3.351 1.00 0.50 H new ATOM 0 HB3 SER A 43 4.055 8.323 2.903 1.00 0.50 H new ATOM 0 HG SER A 43 4.430 8.141 5.461 1.00 1.25 H new ATOM 670 N GLU A 44 7.199 9.811 1.998 1.00 0.46 N ATOM 671 CA GLU A 44 7.744 9.993 0.647 1.00 0.52 C ATOM 672 C GLU A 44 8.498 8.746 0.171 1.00 0.51 C ATOM 673 O GLU A 44 8.386 8.356 -0.985 1.00 0.58 O ATOM 674 CB GLU A 44 8.652 11.220 0.588 1.00 0.61 C ATOM 675 CG GLU A 44 9.303 11.422 -0.771 1.00 0.72 C ATOM 676 CD GLU A 44 10.217 12.627 -0.815 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.726 13.744 -1.083 1.00 1.29 O ATOM 678 OE2 GLU A 44 11.433 12.465 -0.588 1.00 1.91 O ATOM 0 H GLU A 44 7.332 10.609 2.619 1.00 0.46 H new ATOM 0 HA GLU A 44 6.901 10.151 -0.026 1.00 0.52 H new ATOM 0 HB2 GLU A 44 8.070 12.107 0.840 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.430 11.124 1.345 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.874 10.530 -1.031 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.526 11.534 -1.527 1.00 0.72 H new ATOM 685 N ALA A 45 9.232 8.110 1.072 1.00 0.48 N ATOM 686 CA ALA A 45 9.893 6.850 0.758 1.00 0.48 C ATOM 687 C ALA A 45 8.964 5.658 0.980 1.00 0.41 C ATOM 688 O ALA A 45 8.923 4.740 0.162 1.00 0.41 O ATOM 689 CB ALA A 45 11.154 6.694 1.587 1.00 0.52 C ATOM 0 H ALA A 45 9.385 8.444 2.024 1.00 0.48 H new ATOM 0 HA ALA A 45 10.162 6.871 -0.298 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.636 5.748 1.341 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.836 7.516 1.370 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.897 6.706 2.646 1.00 0.52 H new ATOM 695 N VAL A 46 8.207 5.668 2.076 1.00 0.37 N ATOM 696 CA VAL A 46 7.365 4.522 2.418 1.00 0.34 C ATOM 697 C VAL A 46 6.206 4.350 1.426 1.00 0.34 C ATOM 698 O VAL A 46 5.914 3.235 1.020 1.00 0.39 O ATOM 699 CB VAL A 46 6.835 4.564 3.883 1.00 0.49 C ATOM 700 CG1 VAL A 46 7.407 5.722 4.667 1.00 1.41 C ATOM 701 CG2 VAL A 46 5.330 4.628 3.939 1.00 1.13 C ATOM 0 H VAL A 46 8.159 6.445 2.735 1.00 0.37 H new ATOM 0 HA VAL A 46 8.014 3.649 2.343 1.00 0.34 H new ATOM 0 HB VAL A 46 7.168 3.632 4.340 1.00 0.49 H new ATOM 0 HG11 VAL A 46 7.007 5.708 5.681 1.00 1.41 H new ATOM 0 HG12 VAL A 46 8.493 5.635 4.704 1.00 1.41 H new ATOM 0 HG13 VAL A 46 7.134 6.660 4.183 1.00 1.41 H new ATOM 0 HG21 VAL A 46 5.005 4.656 4.979 1.00 1.13 H new ATOM 0 HG22 VAL A 46 4.985 5.526 3.427 1.00 1.13 H new ATOM 0 HG23 VAL A 46 4.910 3.748 3.451 1.00 1.13 H new ATOM 711 N LYS A 47 5.563 5.448 1.023 1.00 0.34 N ATOM 712 CA LYS A 47 4.476 5.381 0.050 1.00 0.36 C ATOM 713 C LYS A 47 5.041 4.985 -1.301 1.00 0.39 C ATOM 714 O LYS A 47 4.416 4.248 -2.058 1.00 0.43 O ATOM 715 CB LYS A 47 3.726 6.720 -0.057 1.00 0.38 C ATOM 716 CG LYS A 47 4.608 7.881 -0.486 1.00 0.49 C ATOM 717 CD LYS A 47 3.841 9.179 -0.655 1.00 0.47 C ATOM 718 CE LYS A 47 3.048 9.524 0.588 1.00 0.47 C ATOM 719 NZ LYS A 47 2.513 10.913 0.549 1.00 0.67 N ATOM 0 H LYS A 47 5.776 6.389 1.355 1.00 0.34 H new ATOM 0 HA LYS A 47 3.758 4.633 0.386 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.909 6.613 -0.771 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.277 6.953 0.909 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.395 8.025 0.254 1.00 0.49 H new ATOM 0 HG3 LYS A 47 5.097 7.630 -1.427 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.537 9.987 -0.879 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.166 9.095 -1.506 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.222 8.822 0.696 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.683 9.406 1.466 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.394 11.266 1.520 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.178 11.527 0.036 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.593 10.917 0.064 1.00 0.67 H new ATOM 733 N GLN A 48 6.241 5.478 -1.588 1.00 0.40 N ATOM 734 CA GLN A 48 6.961 5.082 -2.790 1.00 0.46 C ATOM 735 C GLN A 48 7.251 3.587 -2.797 1.00 0.45 C ATOM 736 O GLN A 48 7.227 2.959 -3.847 1.00 0.50 O ATOM 737 CB GLN A 48 8.269 5.855 -2.940 1.00 0.52 C ATOM 738 CG GLN A 48 8.132 7.143 -3.728 1.00 0.58 C ATOM 739 CD GLN A 48 7.447 6.971 -5.075 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.584 5.802 -5.686 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.790 7.886 -5.563 1.00 0.63 N flip ATOM 0 H GLN A 48 6.735 6.153 -1.004 1.00 0.40 H new ATOM 0 HA GLN A 48 6.315 5.320 -3.635 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.659 6.086 -1.949 1.00 0.52 H new ATOM 0 HB3 GLN A 48 9.003 5.216 -3.431 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.569 7.863 -3.134 1.00 0.58 H new ATOM 0 HG3 GLN A 48 9.123 7.567 -3.887 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.704 8.773 -5.067 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.330 7.759 -6.464 1.00 0.63 H new ATOM 750 N ALA A 49 7.543 3.026 -1.632 1.00 0.42 N ATOM 751 CA ALA A 49 7.738 1.587 -1.509 1.00 0.41 C ATOM 752 C ALA A 49 6.394 0.869 -1.549 1.00 0.39 C ATOM 753 O ALA A 49 6.237 -0.176 -2.184 1.00 0.42 O ATOM 754 CB ALA A 49 8.481 1.261 -0.224 1.00 0.42 C ATOM 0 H ALA A 49 7.650 3.544 -0.760 1.00 0.42 H new ATOM 0 HA ALA A 49 8.340 1.242 -2.349 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.619 0.182 -0.147 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.454 1.751 -0.232 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.904 1.615 0.630 1.00 0.42 H new ATOM 760 N LEU A 50 5.424 1.470 -0.874 1.00 0.38 N ATOM 761 CA LEU A 50 4.069 0.944 -0.762 1.00 0.40 C ATOM 762 C LEU A 50 3.426 0.718 -2.127 1.00 0.41 C ATOM 763 O LEU A 50 2.784 -0.303 -2.343 1.00 0.43 O ATOM 764 CB LEU A 50 3.212 1.917 0.065 1.00 0.45 C ATOM 765 CG LEU A 50 3.025 1.588 1.549 1.00 0.69 C ATOM 766 CD1 LEU A 50 1.637 1.045 1.827 1.00 1.33 C ATOM 767 CD2 LEU A 50 4.066 0.598 1.999 1.00 1.20 C ATOM 0 H LEU A 50 5.558 2.352 -0.380 1.00 0.38 H new ATOM 0 HA LEU A 50 4.125 -0.024 -0.265 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.658 2.909 -0.009 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.226 1.976 -0.396 1.00 0.45 H new ATOM 0 HG LEU A 50 3.143 2.514 2.112 1.00 0.69 H new ATOM 0 HD11 LEU A 50 1.539 0.822 2.890 1.00 1.33 H new ATOM 0 HD12 LEU A 50 0.892 1.788 1.542 1.00 1.33 H new ATOM 0 HD13 LEU A 50 1.480 0.134 1.250 1.00 1.33 H new ATOM 0 HD21 LEU A 50 3.921 0.373 3.056 1.00 1.20 H new ATOM 0 HD22 LEU A 50 3.972 -0.319 1.417 1.00 1.20 H new ATOM 0 HD23 LEU A 50 5.059 1.022 1.851 1.00 1.20 H new ATOM 779 N ARG A 51 3.633 1.638 -3.064 1.00 0.44 N ATOM 780 CA ARG A 51 2.878 1.612 -4.313 1.00 0.50 C ATOM 781 C ARG A 51 3.410 0.513 -5.205 1.00 0.52 C ATOM 782 O ARG A 51 2.683 -0.093 -5.989 1.00 0.59 O ATOM 783 CB ARG A 51 2.971 2.962 -5.022 1.00 0.53 C ATOM 784 CG ARG A 51 4.376 3.529 -5.032 1.00 0.52 C ATOM 785 CD ARG A 51 4.508 4.714 -5.961 1.00 0.73 C ATOM 786 NE ARG A 51 3.566 5.791 -5.655 1.00 1.21 N ATOM 787 CZ ARG A 51 3.508 6.939 -6.333 1.00 1.63 C ATOM 788 NH1 ARG A 51 4.308 7.139 -7.378 1.00 1.96 N ATOM 789 NH2 ARG A 51 2.651 7.883 -5.964 1.00 2.17 N ATOM 0 H ARG A 51 4.306 2.400 -2.986 1.00 0.44 H new ATOM 0 HA ARG A 51 1.830 1.415 -4.089 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.622 2.852 -6.049 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.303 3.670 -4.532 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.652 3.830 -4.021 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.077 2.752 -5.336 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.525 5.102 -5.903 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.351 4.383 -6.987 1.00 0.73 H new ATOM 0 HE ARG A 51 2.917 5.657 -4.880 1.00 1.21 H new ATOM 0 HH11 ARG A 51 4.967 6.414 -7.662 1.00 1.96 H new ATOM 0 HH12 ARG A 51 4.262 8.017 -7.895 1.00 1.96 H new ATOM 0 HH21 ARG A 51 2.038 7.730 -5.163 1.00 2.17 H new ATOM 0 HH22 ARG A 51 2.606 8.761 -6.481 1.00 2.17 H new ATOM 803 N GLU A 52 4.688 0.255 -5.041 1.00 0.49 N ATOM 804 CA GLU A 52 5.381 -0.768 -5.786 1.00 0.54 C ATOM 805 C GLU A 52 4.957 -2.141 -5.294 1.00 0.53 C ATOM 806 O GLU A 52 4.609 -3.021 -6.080 1.00 0.58 O ATOM 807 CB GLU A 52 6.871 -0.559 -5.588 1.00 0.59 C ATOM 808 CG GLU A 52 7.277 0.885 -5.820 1.00 0.63 C ATOM 809 CD GLU A 52 7.207 1.275 -7.281 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.814 0.576 -8.117 1.00 1.10 O ATOM 811 OE2 GLU A 52 6.541 2.282 -7.599 1.00 1.07 O ATOM 0 H GLU A 52 5.281 0.756 -4.379 1.00 0.49 H new ATOM 0 HA GLU A 52 5.138 -0.705 -6.847 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.148 -0.856 -4.576 1.00 0.59 H new ATOM 0 HB3 GLU A 52 7.422 -1.205 -6.271 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.627 1.540 -5.240 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.292 1.038 -5.454 1.00 0.63 H new ATOM 818 N ALA A 53 4.972 -2.307 -3.979 1.00 0.49 N ATOM 819 CA ALA A 53 4.518 -3.539 -3.362 1.00 0.48 C ATOM 820 C ALA A 53 3.023 -3.730 -3.596 1.00 0.49 C ATOM 821 O ALA A 53 2.553 -4.849 -3.807 1.00 0.53 O ATOM 822 CB ALA A 53 4.837 -3.525 -1.878 1.00 0.45 C ATOM 0 H ALA A 53 5.295 -1.599 -3.319 1.00 0.49 H new ATOM 0 HA ALA A 53 5.042 -4.379 -3.819 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.493 -4.454 -1.423 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.914 -3.430 -1.738 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.334 -2.681 -1.406 1.00 0.45 H new ATOM 828 N GLY A 54 2.284 -2.625 -3.564 1.00 0.49 N ATOM 829 CA GLY A 54 0.861 -2.664 -3.837 1.00 0.53 C ATOM 830 C GLY A 54 0.572 -3.147 -5.240 1.00 0.60 C ATOM 831 O GLY A 54 -0.335 -3.951 -5.447 1.00 0.70 O ATOM 0 H GLY A 54 2.650 -1.697 -3.352 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.371 -3.321 -3.118 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.437 -1.669 -3.700 1.00 0.53 H new ATOM 835 N ASP A 55 1.357 -2.662 -6.198 1.00 0.61 N ATOM 836 CA ASP A 55 1.256 -3.105 -7.588 1.00 0.69 C ATOM 837 C ASP A 55 1.482 -4.607 -7.687 1.00 0.70 C ATOM 838 O ASP A 55 0.760 -5.312 -8.393 1.00 0.79 O ATOM 839 CB ASP A 55 2.283 -2.375 -8.452 1.00 0.73 C ATOM 840 CG ASP A 55 2.298 -2.871 -9.884 1.00 0.85 C ATOM 841 OD1 ASP A 55 1.383 -2.512 -10.653 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.233 -3.620 -10.250 1.00 0.82 O ATOM 0 H ASP A 55 2.076 -1.957 -6.036 1.00 0.61 H new ATOM 0 HA ASP A 55 0.254 -2.873 -7.948 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.066 -1.307 -8.444 1.00 0.73 H new ATOM 0 HB3 ASP A 55 3.274 -2.502 -8.017 1.00 0.73 H new ATOM 847 N GLU A 56 2.484 -5.083 -6.952 1.00 0.66 N ATOM 848 CA GLU A 56 2.800 -6.507 -6.880 1.00 0.74 C ATOM 849 C GLU A 56 1.601 -7.315 -6.397 1.00 0.77 C ATOM 850 O GLU A 56 1.467 -8.497 -6.698 1.00 0.88 O ATOM 851 CB GLU A 56 3.985 -6.743 -5.944 1.00 0.79 C ATOM 852 CG GLU A 56 5.294 -6.160 -6.444 1.00 1.24 C ATOM 853 CD GLU A 56 5.853 -6.906 -7.636 1.00 1.52 C ATOM 854 OE1 GLU A 56 6.062 -8.135 -7.531 1.00 1.43 O ATOM 855 OE2 GLU A 56 6.078 -6.267 -8.683 1.00 2.29 O ATOM 0 H GLU A 56 3.099 -4.494 -6.391 1.00 0.66 H new ATOM 0 HA GLU A 56 3.060 -6.839 -7.885 1.00 0.74 H new ATOM 0 HB2 GLU A 56 3.756 -6.312 -4.969 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.110 -7.816 -5.797 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.141 -5.115 -6.715 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.025 -6.176 -5.636 1.00 1.24 H new ATOM 862 N PHE A 57 0.755 -6.686 -5.612 1.00 0.71 N ATOM 863 CA PHE A 57 -0.440 -7.344 -5.118 1.00 0.75 C ATOM 864 C PHE A 57 -1.558 -7.303 -6.160 1.00 0.78 C ATOM 865 O PHE A 57 -2.263 -8.294 -6.360 1.00 0.91 O ATOM 866 CB PHE A 57 -0.906 -6.706 -3.809 1.00 0.76 C ATOM 867 CG PHE A 57 -1.994 -7.486 -3.123 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.860 -8.846 -2.905 1.00 1.37 C ATOM 869 CD2 PHE A 57 -3.154 -6.856 -2.698 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.859 -9.565 -2.275 1.00 1.79 C ATOM 871 CE2 PHE A 57 -4.157 -7.569 -2.068 1.00 2.29 C ATOM 872 CZ PHE A 57 -4.000 -8.934 -1.853 1.00 2.20 C ATOM 0 H PHE A 57 0.869 -5.721 -5.301 1.00 0.71 H new ATOM 0 HA PHE A 57 -0.193 -8.388 -4.925 1.00 0.75 H new ATOM 0 HB2 PHE A 57 -0.055 -6.613 -3.135 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -1.264 -5.697 -4.012 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.964 -9.352 -3.231 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -3.275 -5.795 -2.861 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.740 -10.626 -2.115 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -5.058 -7.069 -1.745 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.776 -9.496 -1.354 1.00 2.20 H new ATOM 882 N GLU A 58 -1.675 -6.170 -6.851 1.00 0.73 N ATOM 883 CA GLU A 58 -2.833 -5.893 -7.703 1.00 0.82 C ATOM 884 C GLU A 58 -2.985 -6.912 -8.810 1.00 0.82 C ATOM 885 O GLU A 58 -3.976 -7.638 -8.857 1.00 0.89 O ATOM 886 CB GLU A 58 -2.737 -4.506 -8.320 1.00 0.86 C ATOM 887 CG GLU A 58 -2.684 -3.396 -7.301 1.00 0.91 C ATOM 888 CD GLU A 58 -2.790 -2.034 -7.940 1.00 0.93 C ATOM 889 OE1 GLU A 58 -3.918 -1.544 -8.141 1.00 1.30 O ATOM 890 OE2 GLU A 58 -1.738 -1.430 -8.237 1.00 1.24 O ATOM 0 H GLU A 58 -0.979 -5.425 -6.838 1.00 0.73 H new ATOM 0 HA GLU A 58 -3.709 -5.950 -7.057 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.846 -4.456 -8.946 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.595 -4.348 -8.974 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -3.495 -3.524 -6.584 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -1.751 -3.462 -6.742 1.00 0.91 H new ATOM 897 N LEU A 59 -2.001 -6.954 -9.696 1.00 0.81 N ATOM 898 CA LEU A 59 -2.024 -7.860 -10.837 1.00 0.87 C ATOM 899 C LEU A 59 -2.347 -9.294 -10.432 1.00 0.85 C ATOM 900 O LEU A 59 -3.055 -10.005 -11.142 1.00 0.96 O ATOM 901 CB LEU A 59 -0.693 -7.824 -11.596 1.00 0.96 C ATOM 902 CG LEU A 59 0.582 -7.508 -10.796 1.00 1.06 C ATOM 903 CD1 LEU A 59 0.676 -8.309 -9.524 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.784 -7.835 -11.629 1.00 1.46 C ATOM 0 H LEU A 59 -1.169 -6.366 -9.646 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.821 -7.510 -11.493 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.555 -8.793 -12.076 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.781 -7.084 -12.391 1.00 0.96 H new ATOM 0 HG LEU A 59 0.543 -6.449 -10.540 1.00 1.06 H new ATOM 0 HD11 LEU A 59 1.594 -8.048 -8.997 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -0.182 -8.087 -8.890 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.685 -9.372 -9.763 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.689 -7.612 -11.065 1.00 1.46 H new ATOM 0 HD22 LEU A 59 1.770 -8.894 -11.889 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.768 -7.238 -12.541 1.00 1.46 H new ATOM 916 N ARG A 60 -1.833 -9.706 -9.286 1.00 0.83 N ATOM 917 CA ARG A 60 -2.017 -11.062 -8.812 1.00 0.90 C ATOM 918 C ARG A 60 -3.493 -11.372 -8.538 1.00 0.98 C ATOM 919 O ARG A 60 -3.986 -12.431 -8.923 1.00 1.15 O ATOM 920 CB ARG A 60 -1.173 -11.316 -7.559 1.00 1.03 C ATOM 921 CG ARG A 60 0.316 -11.440 -7.851 1.00 1.00 C ATOM 922 CD ARG A 60 1.135 -11.590 -6.579 1.00 1.07 C ATOM 923 NE ARG A 60 2.549 -11.834 -6.868 1.00 1.41 N ATOM 924 CZ ARG A 60 3.557 -11.152 -6.323 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.321 -10.156 -5.482 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.810 -11.456 -6.635 1.00 2.58 N ATOM 0 H ARG A 60 -1.282 -9.114 -8.665 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.681 -11.733 -9.602 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.331 -10.502 -6.852 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.519 -12.230 -7.076 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.488 -12.301 -8.497 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.653 -10.559 -8.397 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.038 -10.687 -5.976 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.738 -12.414 -5.986 1.00 1.07 H new ATOM 0 HE ARG A 60 2.779 -12.575 -7.530 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.361 -9.905 -5.246 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.099 -9.641 -5.071 1.00 2.43 H new ATOM 0 HH21 ARG A 60 5.003 -12.212 -7.292 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.581 -10.934 -6.218 1.00 2.58 H new ATOM 940 N TYR A 61 -4.205 -10.453 -7.882 1.00 1.04 N ATOM 941 CA TYR A 61 -5.616 -10.685 -7.570 1.00 1.26 C ATOM 942 C TYR A 61 -6.528 -10.158 -8.676 1.00 1.32 C ATOM 943 O TYR A 61 -7.734 -10.398 -8.656 1.00 1.59 O ATOM 944 CB TYR A 61 -6.017 -10.066 -6.215 1.00 1.52 C ATOM 945 CG TYR A 61 -5.988 -8.545 -6.146 1.00 2.19 C ATOM 946 CD1 TYR A 61 -6.904 -7.789 -6.859 1.00 2.84 C ATOM 947 CD2 TYR A 61 -5.035 -7.867 -5.391 1.00 2.70 C ATOM 948 CE1 TYR A 61 -6.877 -6.408 -6.820 1.00 3.86 C ATOM 949 CE2 TYR A 61 -5.007 -6.485 -5.344 1.00 3.67 C ATOM 950 CZ TYR A 61 -5.936 -5.765 -5.977 1.00 4.23 C ATOM 951 OH TYR A 61 -5.909 -4.386 -6.024 1.00 5.32 O ATOM 0 H TYR A 61 -3.836 -9.558 -7.562 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.744 -11.765 -7.500 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -7.024 -10.403 -5.967 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -5.351 -10.458 -5.447 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -7.653 -8.288 -7.456 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -4.304 -8.431 -4.831 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -7.561 -5.828 -7.422 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -4.227 -5.984 -4.790 1.00 3.67 H new ATOM 0 HH TYR A 61 -5.413 -4.042 -5.252 1.00 5.32 H new ATOM 961 N ARG A 62 -5.944 -9.449 -9.637 1.00 1.28 N ATOM 962 CA ARG A 62 -6.708 -8.789 -10.698 1.00 1.39 C ATOM 963 C ARG A 62 -7.548 -9.793 -11.487 1.00 1.07 C ATOM 964 O ARG A 62 -8.582 -9.440 -12.055 1.00 1.30 O ATOM 965 CB ARG A 62 -5.758 -8.029 -11.627 1.00 1.72 C ATOM 966 CG ARG A 62 -6.459 -7.162 -12.659 1.00 2.15 C ATOM 967 CD ARG A 62 -5.463 -6.320 -13.437 1.00 2.51 C ATOM 968 NE ARG A 62 -6.105 -5.516 -14.476 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.541 -4.452 -15.047 1.00 3.59 C ATOM 970 NH1 ARG A 62 -4.371 -4.004 -14.610 1.00 3.59 N ATOM 971 NH2 ARG A 62 -6.162 -3.814 -16.033 1.00 4.48 N ATOM 0 H ARG A 62 -4.935 -9.314 -9.705 1.00 1.28 H new ATOM 0 HA ARG A 62 -7.395 -8.080 -10.236 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -5.104 -7.399 -11.024 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -5.121 -8.747 -12.144 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -7.021 -7.794 -13.347 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -7.179 -6.512 -12.163 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.931 -5.663 -12.749 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.719 -6.972 -13.894 1.00 2.51 H new ATOM 0 HE ARG A 62 -7.040 -5.785 -14.782 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.902 -4.474 -13.836 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.941 -3.190 -15.048 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -7.074 -4.138 -16.356 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -5.727 -3.000 -16.467 1.00 4.48 H new ATOM 985 N ARG A 63 -7.101 -11.042 -11.502 1.00 0.98 N ATOM 986 CA ARG A 63 -7.852 -12.130 -12.116 1.00 1.19 C ATOM 987 C ARG A 63 -9.258 -12.230 -11.518 1.00 1.20 C ATOM 988 O ARG A 63 -10.244 -12.341 -12.243 1.00 1.45 O ATOM 989 CB ARG A 63 -7.095 -13.450 -11.925 1.00 1.61 C ATOM 990 CG ARG A 63 -7.876 -14.686 -12.346 1.00 2.18 C ATOM 991 CD ARG A 63 -7.026 -15.943 -12.241 1.00 2.52 C ATOM 992 NE ARG A 63 -5.973 -15.977 -13.255 1.00 3.12 N ATOM 993 CZ ARG A 63 -4.899 -16.767 -13.197 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.701 -17.557 -12.150 1.00 4.07 N ATOM 995 NH2 ARG A 63 -4.017 -16.758 -14.186 1.00 4.72 N ATOM 0 H ARG A 63 -6.212 -11.329 -11.091 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.955 -11.926 -13.182 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.167 -13.409 -12.495 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.820 -13.549 -10.875 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -8.761 -14.790 -11.718 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.225 -14.566 -13.372 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -6.577 -15.995 -11.249 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -7.662 -16.821 -12.349 1.00 2.52 H new ATOM 0 HE ARG A 63 -6.065 -15.356 -14.059 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.372 -17.564 -11.382 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -3.878 -18.158 -12.113 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -4.159 -16.148 -14.991 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -3.196 -17.361 -14.143 1.00 4.72 H new ATOM 1009 N ALA A 64 -9.342 -12.173 -10.196 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.619 -12.291 -9.502 1.00 1.09 C ATOM 1011 C ALA A 64 -11.267 -10.928 -9.289 1.00 1.08 C ATOM 1012 O ALA A 64 -12.488 -10.811 -9.313 1.00 1.05 O ATOM 1013 CB ALA A 64 -10.427 -12.989 -8.163 1.00 1.17 C ATOM 0 H ALA A 64 -8.539 -12.045 -9.580 1.00 1.07 H new ATOM 0 HA ALA A 64 -11.284 -12.886 -10.128 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -11.388 -13.071 -7.654 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -10.017 -13.986 -8.328 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.738 -12.411 -7.547 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.431 -9.908 -9.099 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.867 -8.562 -8.701 1.00 1.22 C ATOM 1021 C PHE A 65 -12.114 -8.073 -9.444 1.00 1.19 C ATOM 1022 O PHE A 65 -13.051 -7.569 -8.826 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.719 -7.570 -8.908 1.00 1.47 C ATOM 1024 CG PHE A 65 -10.120 -6.135 -8.736 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.540 -5.666 -7.503 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -10.075 -5.257 -9.804 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.908 -4.347 -7.340 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -10.441 -3.938 -9.645 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.863 -3.482 -8.421 1.00 2.81 C ATOM 0 H PHE A 65 -9.421 -9.989 -9.217 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.141 -8.623 -7.648 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.920 -7.801 -8.203 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -9.310 -7.706 -9.909 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.580 -6.340 -6.660 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -9.750 -5.609 -10.772 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.230 -3.990 -6.373 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -10.396 -3.261 -10.486 1.00 2.59 H new ATOM 0 HZ PHE A 65 -11.159 -2.450 -8.301 1.00 2.81 H new ATOM 1039 N SER A 66 -12.133 -8.230 -10.756 1.00 1.20 N ATOM 1040 CA SER A 66 -13.224 -7.704 -11.568 1.00 1.24 C ATOM 1041 C SER A 66 -14.535 -8.447 -11.300 1.00 1.13 C ATOM 1042 O SER A 66 -15.624 -7.884 -11.444 1.00 1.16 O ATOM 1043 CB SER A 66 -12.840 -7.789 -13.044 1.00 1.45 C ATOM 1044 OG SER A 66 -12.198 -9.022 -13.325 1.00 2.19 O ATOM 0 H SER A 66 -11.408 -8.716 -11.284 1.00 1.20 H new ATOM 0 HA SER A 66 -13.389 -6.661 -11.297 1.00 1.24 H new ATOM 0 HB2 SER A 66 -13.731 -7.688 -13.663 1.00 1.45 H new ATOM 0 HB3 SER A 66 -12.178 -6.962 -13.301 1.00 1.45 H new ATOM 0 HG SER A 66 -11.961 -9.058 -14.275 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.419 -9.700 -10.891 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.577 -10.537 -10.609 1.00 1.08 C ATOM 1052 C ASP A 67 -16.006 -10.426 -9.152 1.00 0.97 C ATOM 1053 O ASP A 67 -17.187 -10.570 -8.828 1.00 1.01 O ATOM 1054 CB ASP A 67 -15.265 -12.001 -10.928 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.434 -12.336 -12.392 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -14.542 -11.981 -13.191 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -16.463 -12.941 -12.760 1.00 2.06 O ATOM 0 H ASP A 67 -13.523 -10.166 -10.745 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.393 -10.185 -11.240 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.241 -12.223 -10.626 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.918 -12.643 -10.336 1.00 1.18 H new ATOM 1062 N LEU A 68 -15.046 -10.152 -8.274 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.282 -10.205 -6.835 1.00 0.85 C ATOM 1064 C LEU A 68 -16.254 -9.135 -6.354 1.00 0.76 C ATOM 1065 O LEU A 68 -16.810 -9.265 -5.269 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.975 -10.081 -6.061 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.901 -11.101 -6.422 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.692 -10.909 -5.540 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -13.427 -12.517 -6.297 1.00 1.56 C ATOM 0 H LEU A 68 -14.095 -9.890 -8.535 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.734 -11.178 -6.642 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -13.571 -9.081 -6.221 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -14.193 -10.170 -4.997 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.613 -10.942 -7.461 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -10.929 -11.641 -5.804 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -11.294 -9.904 -5.681 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.978 -11.043 -4.497 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -12.639 -13.222 -6.561 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.747 -12.697 -5.271 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -14.274 -12.651 -6.970 1.00 1.56 H new ATOM 1081 N THR A 69 -16.481 -8.099 -7.152 1.00 0.70 N ATOM 1082 CA THR A 69 -17.348 -6.999 -6.734 1.00 0.62 C ATOM 1083 C THR A 69 -18.761 -7.499 -6.468 1.00 0.63 C ATOM 1084 O THR A 69 -19.517 -6.908 -5.694 1.00 0.60 O ATOM 1085 CB THR A 69 -17.395 -5.882 -7.788 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.526 -6.453 -9.096 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.151 -5.024 -7.723 1.00 0.63 C ATOM 0 H THR A 69 -16.082 -7.995 -8.085 1.00 0.70 H new ATOM 0 HA THR A 69 -16.927 -6.591 -5.815 1.00 0.62 H new ATOM 0 HB THR A 69 -18.258 -5.250 -7.580 1.00 0.62 H new ATOM 0 HG1 THR A 69 -17.557 -5.737 -9.764 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.209 -4.241 -8.479 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.074 -4.570 -6.735 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.273 -5.642 -7.908 1.00 0.63 H new ATOM 1095 N SER A 70 -19.089 -8.606 -7.112 1.00 0.72 N ATOM 1096 CA SER A 70 -20.356 -9.276 -6.922 1.00 0.80 C ATOM 1097 C SER A 70 -20.373 -10.020 -5.588 1.00 0.76 C ATOM 1098 O SER A 70 -21.416 -10.171 -4.956 1.00 0.76 O ATOM 1099 CB SER A 70 -20.555 -10.257 -8.070 1.00 0.96 C ATOM 1100 OG SER A 70 -20.539 -9.585 -9.320 1.00 1.34 O ATOM 0 H SER A 70 -18.476 -9.065 -7.786 1.00 0.72 H new ATOM 0 HA SER A 70 -21.163 -8.543 -6.909 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.769 -11.012 -8.049 1.00 0.96 H new ATOM 0 HB3 SER A 70 -21.503 -10.780 -7.946 1.00 0.96 H new ATOM 0 HG SER A 70 -20.667 -10.235 -10.042 1.00 1.34 H new ATOM 1106 N GLN A 71 -19.194 -10.457 -5.163 1.00 0.77 N ATOM 1107 CA GLN A 71 -19.041 -11.233 -3.941 1.00 0.77 C ATOM 1108 C GLN A 71 -19.004 -10.319 -2.733 1.00 0.67 C ATOM 1109 O GLN A 71 -19.710 -10.540 -1.750 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.754 -12.046 -3.990 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.585 -12.833 -5.267 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.461 -13.833 -5.163 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.484 -13.521 -4.331 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.473 -14.878 -5.810 1.00 1.42 N flip ATOM 0 H GLN A 71 -18.318 -10.283 -5.656 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.895 -11.906 -3.858 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.904 -11.373 -3.872 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.736 -12.733 -3.144 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.514 -13.353 -5.499 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.388 -12.149 -6.092 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -17.249 -15.078 -6.441 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.707 -15.545 -5.715 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.165 -9.291 -2.813 1.00 0.59 N ATOM 1124 CA LEU A 72 -18.093 -8.294 -1.761 1.00 0.55 C ATOM 1125 C LEU A 72 -19.404 -7.528 -1.712 1.00 0.47 C ATOM 1126 O LEU A 72 -19.817 -7.051 -0.660 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.933 -7.314 -1.993 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.527 -7.925 -2.045 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.962 -7.843 -3.453 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.597 -7.224 -1.065 1.00 1.35 C ATOM 0 H LEU A 72 -17.529 -9.130 -3.594 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.916 -8.805 -0.814 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.112 -6.788 -2.931 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.952 -6.567 -1.199 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.603 -8.974 -1.759 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.964 -8.281 -3.471 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.611 -8.390 -4.138 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.905 -6.799 -3.762 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.606 -7.674 -1.119 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.530 -6.166 -1.320 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.988 -7.329 -0.053 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.058 -7.437 -2.867 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.292 -6.678 -3.006 1.00 0.48 C ATOM 1144 C HIS A 73 -20.981 -5.217 -2.756 1.00 0.43 C ATOM 1145 O HIS A 73 -21.547 -4.566 -1.878 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.382 -7.194 -2.053 1.00 0.55 C ATOM 1147 CG HIS A 73 -23.733 -6.582 -2.280 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -24.581 -6.988 -3.287 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -24.381 -5.587 -1.626 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -25.687 -6.271 -3.245 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -25.592 -5.416 -2.248 1.00 2.62 N ATOM 0 H HIS A 73 -19.747 -7.886 -3.728 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.686 -6.801 -4.015 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -22.462 -8.276 -2.161 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.074 -6.998 -1.026 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.013 -5.033 -0.775 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -26.528 -6.369 -3.915 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -26.304 -4.736 -1.981 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.026 -4.741 -3.528 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.547 -3.379 -3.441 1.00 0.41 C ATOM 1162 C ILE A 74 -20.686 -2.396 -3.648 1.00 0.49 C ATOM 1163 O ILE A 74 -21.244 -2.286 -4.744 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.456 -3.149 -4.484 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.365 -4.209 -4.328 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.875 -1.760 -4.330 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.487 -4.013 -3.112 1.00 0.39 C ATOM 0 H ILE A 74 -19.555 -5.297 -4.242 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.132 -3.216 -2.446 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.887 -3.232 -5.482 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.833 -5.192 -4.271 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.739 -4.205 -5.220 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.098 -1.606 -5.078 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.663 -1.019 -4.467 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.446 -1.654 -3.334 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.739 -4.805 -3.072 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.989 -3.046 -3.175 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.100 -4.047 -2.211 1.00 0.39 H new ATOM 1179 N THR A 75 -21.013 -1.696 -2.581 1.00 0.38 N ATOM 1180 CA THR A 75 -22.205 -0.883 -2.507 1.00 0.40 C ATOM 1181 C THR A 75 -21.915 0.276 -1.524 1.00 0.37 C ATOM 1182 O THR A 75 -20.740 0.521 -1.241 1.00 0.34 O ATOM 1183 CB THR A 75 -23.372 -1.811 -2.046 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.632 -1.385 -2.583 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.457 -1.906 -0.526 1.00 0.46 C ATOM 0 H THR A 75 -20.450 -1.677 -1.731 1.00 0.38 H new ATOM 0 HA THR A 75 -22.492 -0.440 -3.461 1.00 0.40 H new ATOM 0 HB THR A 75 -23.149 -2.804 -2.437 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.340 -1.989 -2.276 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.282 -2.561 -0.248 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.524 -2.311 -0.134 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.625 -0.913 -0.108 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.934 1.054 -1.062 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.850 1.926 0.116 1.00 0.37 C ATOM 1195 C PRO A 76 -21.866 1.457 1.206 1.00 0.35 C ATOM 1196 O PRO A 76 -21.418 0.314 1.205 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.285 1.887 0.645 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.151 1.544 -0.533 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.238 1.246 -1.696 1.00 0.44 C ATOM 0 HA PRO A 76 -22.469 2.912 -0.151 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.389 1.144 1.436 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.570 2.849 1.072 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.780 0.682 -0.309 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.819 2.372 -0.772 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.556 0.356 -2.239 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.219 2.067 -2.413 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.565 2.380 2.132 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.524 2.224 3.164 1.00 0.37 C ATOM 1209 C GLY A 77 -20.310 0.824 3.734 1.00 0.38 C ATOM 1210 O GLY A 77 -19.216 0.519 4.218 1.00 0.40 O ATOM 0 H GLY A 77 -22.048 3.276 2.187 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.578 2.566 2.744 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -20.765 2.892 3.991 1.00 0.37 H new ATOM 1214 N THR A 78 -21.318 -0.027 3.680 1.00 0.40 N ATOM 1215 CA THR A 78 -21.211 -1.380 4.198 1.00 0.42 C ATOM 1216 C THR A 78 -20.271 -2.247 3.355 1.00 0.38 C ATOM 1217 O THR A 78 -20.084 -3.433 3.635 1.00 0.40 O ATOM 1218 CB THR A 78 -22.594 -2.034 4.293 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.266 -1.957 3.027 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.416 -1.332 5.355 1.00 0.56 C ATOM 0 H THR A 78 -22.229 0.197 3.279 1.00 0.40 H new ATOM 0 HA THR A 78 -20.783 -1.307 5.198 1.00 0.42 H new ATOM 0 HB THR A 78 -22.474 -3.083 4.563 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.148 -2.379 3.098 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.399 -1.798 5.421 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.911 -1.412 6.318 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.530 -0.281 5.091 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.651 -1.639 2.344 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.627 -2.309 1.557 1.00 0.31 C ATOM 1230 C ALA A 79 -17.361 -2.480 2.388 1.00 0.30 C ATOM 1231 O ALA A 79 -16.467 -3.250 2.039 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.333 -1.527 0.286 1.00 0.32 C ATOM 0 H ALA A 79 -19.844 -0.680 2.053 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.993 -3.295 1.271 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.565 -2.043 -0.289 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.242 -1.448 -0.311 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.982 -0.529 0.546 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.299 -1.766 3.507 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.182 -1.890 4.432 1.00 0.36 C ATOM 1240 C TYR A 80 -16.349 -3.151 5.265 1.00 0.36 C ATOM 1241 O TYR A 80 -15.406 -3.628 5.886 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.080 -0.650 5.326 1.00 0.44 C ATOM 1243 CG TYR A 80 -14.868 -0.653 6.234 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -13.583 -0.594 5.710 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -15.012 -0.700 7.616 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -12.476 -0.583 6.537 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -13.909 -0.690 8.449 1.00 2.52 C ATOM 1248 CZ TYR A 80 -12.641 -0.685 7.899 1.00 3.12 C ATOM 1249 OH TYR A 80 -11.543 -0.618 8.732 1.00 4.13 O ATOM 0 H TYR A 80 -18.011 -1.095 3.794 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.254 -1.965 3.865 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.049 0.239 4.697 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.980 -0.578 5.936 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.447 -0.556 4.639 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.002 -0.745 8.046 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -11.485 -0.495 6.116 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -14.037 -0.686 9.521 1.00 2.52 H new ATOM 0 HH TYR A 80 -11.015 0.178 8.514 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.555 -3.696 5.255 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.817 -4.973 5.894 1.00 0.41 C ATOM 1261 C GLN A 81 -17.543 -6.101 4.914 1.00 0.41 C ATOM 1262 O GLN A 81 -17.284 -7.240 5.294 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.246 -5.025 6.411 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.418 -4.320 7.746 1.00 0.58 C ATOM 1265 CD GLN A 81 -20.868 -4.155 8.133 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.460 -5.028 8.765 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.444 -3.023 7.773 1.00 0.79 N ATOM 0 H GLN A 81 -18.369 -3.272 4.810 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.152 -5.091 6.750 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.910 -4.568 5.677 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.552 -6.066 6.514 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -18.901 -4.886 8.521 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -18.945 -3.339 7.698 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -20.915 -2.326 7.249 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.418 -2.846 8.019 1.00 0.79 H new ATOM 1276 N SER A 82 -17.598 -5.753 3.652 1.00 0.39 N ATOM 1277 CA SER A 82 -17.177 -6.635 2.576 1.00 0.41 C ATOM 1278 C SER A 82 -15.655 -6.743 2.579 1.00 0.41 C ATOM 1279 O SER A 82 -15.083 -7.830 2.539 1.00 0.48 O ATOM 1280 CB SER A 82 -17.660 -6.056 1.253 1.00 0.41 C ATOM 1281 OG SER A 82 -19.016 -5.651 1.357 1.00 0.43 O ATOM 0 H SER A 82 -17.937 -4.845 3.334 1.00 0.39 H new ATOM 0 HA SER A 82 -17.601 -7.630 2.713 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.040 -5.204 0.973 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.555 -6.800 0.463 1.00 0.41 H new ATOM 0 HG SER A 82 -19.576 -6.239 0.808 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.012 -5.588 2.643 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.567 -5.500 2.786 1.00 0.37 C ATOM 1289 C PHE A 83 -13.151 -5.943 4.190 1.00 0.38 C ATOM 1290 O PHE A 83 -11.981 -6.209 4.457 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.106 -4.068 2.475 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.625 -3.847 2.610 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.745 -4.376 1.682 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.116 -3.110 3.667 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.385 -4.174 1.804 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.758 -2.904 3.796 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.890 -3.443 2.858 1.00 1.18 C ATOM 0 H PHE A 83 -15.479 -4.682 2.597 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.082 -6.170 2.076 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.407 -3.816 1.458 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.626 -3.380 3.142 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.127 -4.953 0.853 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.791 -2.692 4.399 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.710 -4.590 1.071 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.373 -2.326 4.623 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.826 -3.289 2.956 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.114 -6.006 5.091 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.865 -6.508 6.431 1.00 0.48 C ATOM 1309 C GLU A 84 -13.481 -7.974 6.380 1.00 0.52 C ATOM 1310 O GLU A 84 -12.506 -8.397 6.994 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.100 -6.367 7.299 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.904 -6.916 8.692 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.077 -6.645 9.605 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.083 -7.377 9.521 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.004 -5.682 10.402 1.00 0.80 O ATOM 0 H GLU A 84 -15.077 -5.716 4.920 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.051 -5.921 6.857 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.374 -5.314 7.364 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.933 -6.885 6.824 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.738 -7.992 8.632 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.005 -6.478 9.126 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.287 -8.727 5.653 1.00 0.57 N ATOM 1323 CA GLN A 85 -14.086 -10.164 5.441 1.00 0.65 C ATOM 1324 C GLN A 85 -12.637 -10.480 5.162 1.00 0.64 C ATOM 1325 O GLN A 85 -12.054 -11.417 5.710 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.904 -10.612 4.237 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.333 -10.137 4.279 1.00 0.79 C ATOM 1328 CD GLN A 85 -17.128 -10.541 3.055 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.579 -10.703 1.964 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.429 -10.705 3.226 1.00 1.62 N ATOM 0 H GLN A 85 -15.114 -8.359 5.183 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.398 -10.684 6.347 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.432 -10.242 3.327 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.891 -11.701 4.182 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.817 -10.539 5.169 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.346 -9.051 4.372 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.845 -10.561 4.146 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -19.017 -10.976 2.438 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.074 -9.666 4.311 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.755 -9.882 3.795 1.00 0.62 C ATOM 1341 C VAL A 86 -9.691 -9.305 4.708 1.00 0.55 C ATOM 1342 O VAL A 86 -8.692 -9.961 4.992 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.657 -9.303 2.393 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -11.401 -8.013 2.314 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -9.218 -9.157 1.953 1.00 1.30 C ATOM 0 H VAL A 86 -12.526 -8.824 3.954 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.573 -10.956 3.748 1.00 0.62 H new ATOM 0 HB VAL A 86 -11.124 -10.001 1.698 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -11.323 -7.609 1.305 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -12.450 -8.183 2.557 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -10.975 -7.303 3.023 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -9.186 -8.740 0.946 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -8.694 -8.491 2.638 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -8.735 -10.134 1.957 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.922 -8.091 5.185 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.984 -7.448 6.107 1.00 0.51 C ATOM 1357 C VAL A 87 -8.878 -8.264 7.392 1.00 0.56 C ATOM 1358 O VAL A 87 -7.885 -8.213 8.116 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.399 -5.997 6.446 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.614 -5.950 7.360 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.239 -5.251 7.071 1.00 0.85 C ATOM 0 H VAL A 87 -10.743 -7.531 4.954 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.015 -7.407 5.609 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.676 -5.509 5.511 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.870 -4.912 7.572 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.456 -6.439 6.871 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.387 -6.465 8.293 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.546 -4.231 7.304 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.933 -5.756 7.987 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.403 -5.228 6.372 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.923 -9.029 7.638 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.992 -9.934 8.772 1.00 0.71 C ATOM 1373 C ASN A 88 -8.946 -11.034 8.654 1.00 0.78 C ATOM 1374 O ASN A 88 -8.189 -11.292 9.591 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.391 -10.529 8.839 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.176 -10.023 10.024 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.187 -10.643 11.086 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.830 -8.888 9.857 1.00 0.73 N ATOM 0 H ASN A 88 -10.757 -9.041 7.051 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.784 -9.382 9.689 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.929 -10.290 7.922 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.319 -11.615 8.892 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.371 -8.493 10.626 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.794 -8.406 8.959 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.886 -11.653 7.484 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.923 -12.704 7.215 1.00 0.84 C ATOM 1387 C GLU A 89 -6.555 -12.102 7.159 1.00 0.82 C ATOM 1388 O GLU A 89 -5.581 -12.623 7.704 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.187 -13.306 5.856 1.00 0.87 C ATOM 1390 CG GLU A 89 -9.580 -13.813 5.651 1.00 1.25 C ATOM 1391 CD GLU A 89 -9.958 -14.921 6.599 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -10.240 -14.621 7.774 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -9.960 -16.094 6.177 1.00 2.87 O ATOM 0 H GLU A 89 -9.502 -11.440 6.699 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.002 -13.460 7.996 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.973 -12.556 5.095 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -7.490 -14.129 5.697 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -10.281 -12.987 5.771 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.682 -14.171 4.626 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.532 -10.977 6.478 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.341 -10.269 6.153 1.00 0.64 C ATOM 1402 C LEU A 90 -4.512 -9.957 7.406 1.00 0.70 C ATOM 1403 O LEU A 90 -3.298 -9.823 7.339 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.798 -9.001 5.466 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.815 -8.293 4.556 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.079 -9.243 3.631 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.599 -7.293 3.752 1.00 1.28 C ATOM 0 H LEU A 90 -7.378 -10.526 6.129 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.690 -10.861 5.510 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.685 -9.240 4.879 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -6.107 -8.296 6.237 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.049 -7.813 5.165 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.389 -8.679 3.004 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.520 -9.968 4.223 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -4.798 -9.766 3.000 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.927 -6.759 3.081 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.359 -7.812 3.167 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.080 -6.583 4.424 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.174 -9.890 8.559 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.519 -9.455 9.786 1.00 0.82 C ATOM 1421 C PHE A 91 -4.133 -10.646 10.647 1.00 0.91 C ATOM 1422 O PHE A 91 -3.095 -10.656 11.306 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.448 -8.525 10.570 1.00 0.88 C ATOM 1424 CG PHE A 91 -4.861 -7.992 11.848 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -4.073 -6.854 11.843 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.101 -8.628 13.058 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -3.534 -6.360 13.015 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -4.566 -8.140 14.233 1.00 1.75 C ATOM 1429 CZ PHE A 91 -3.780 -7.004 14.211 1.00 2.23 C ATOM 0 H PHE A 91 -6.159 -10.131 8.667 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.610 -8.917 9.518 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -5.723 -7.685 9.933 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -6.367 -9.062 10.803 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -3.877 -6.346 10.911 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.715 -9.517 13.080 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -2.921 -5.471 12.996 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -4.761 -8.645 15.167 1.00 1.75 H new ATOM 0 HZ PHE A 91 -3.359 -6.620 15.128 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.969 -11.651 10.625 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.808 -12.787 11.510 1.00 1.11 C ATOM 1441 C ARG A 92 -3.719 -13.727 11.015 1.00 0.83 C ATOM 1442 O ARG A 92 -2.982 -14.320 11.800 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.129 -13.530 11.584 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.484 -14.212 10.283 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.958 -14.482 10.172 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.406 -15.504 11.121 1.00 3.27 N ATOM 1447 CZ ARG A 92 -9.499 -16.253 10.963 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.233 -16.155 9.863 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -9.853 -17.112 11.909 1.00 5.06 N ATOM 0 H ARG A 92 -5.774 -11.711 10.002 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.513 -12.428 12.496 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.079 -14.274 12.379 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.921 -12.830 11.852 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.166 -13.588 9.448 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -5.937 -15.151 10.205 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.509 -13.558 10.348 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.191 -14.804 9.157 1.00 2.21 H new ATOM 0 HE ARG A 92 -7.844 -15.653 11.959 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -9.964 -15.502 9.127 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.067 -16.733 9.753 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -9.290 -17.199 12.755 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -10.688 -17.686 11.790 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.624 -13.843 9.704 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.793 -14.862 9.087 1.00 1.10 C ATOM 1465 C ASP A 93 -1.387 -14.362 8.765 1.00 1.31 C ATOM 1466 O ASP A 93 -0.698 -14.954 7.934 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.473 -15.380 7.813 1.00 1.65 C ATOM 1468 CG ASP A 93 -2.885 -16.692 7.325 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -2.952 -17.690 8.077 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -2.368 -16.738 6.189 1.00 3.12 O ATOM 0 H ASP A 93 -4.114 -13.241 9.042 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.683 -15.671 9.809 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -4.538 -15.513 8.003 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -3.381 -14.631 7.027 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.926 -13.293 9.408 1.00 1.11 N ATOM 1476 CA GLY A 94 0.451 -12.920 9.167 1.00 1.69 C ATOM 1477 C GLY A 94 0.687 -11.476 8.769 1.00 1.62 C ATOM 1478 O GLY A 94 1.041 -11.213 7.625 1.00 2.31 O ATOM 0 H GLY A 94 -1.450 -12.707 10.058 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.026 -13.126 10.070 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.849 -13.563 8.382 1.00 1.69 H new ATOM 1482 N VAL A 95 0.478 -10.525 9.671 1.00 0.85 N ATOM 1483 CA VAL A 95 0.747 -9.131 9.338 1.00 0.67 C ATOM 1484 C VAL A 95 2.240 -8.847 9.280 1.00 0.62 C ATOM 1485 O VAL A 95 2.913 -8.681 10.296 1.00 0.61 O ATOM 1486 CB VAL A 95 0.090 -8.136 10.317 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.420 -6.700 9.919 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.409 -8.347 10.368 1.00 1.06 C ATOM 0 H VAL A 95 0.132 -10.686 10.617 1.00 0.85 H new ATOM 0 HA VAL A 95 0.304 -8.983 8.353 1.00 0.67 H new ATOM 0 HB VAL A 95 0.492 -8.317 11.314 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -0.051 -6.011 10.620 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.500 -6.556 9.939 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.047 -6.506 8.913 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.853 -7.635 11.064 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.832 -8.195 9.375 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.622 -9.362 10.702 1.00 1.06 H new ATOM 1498 N ASN A 96 2.748 -8.855 8.062 1.00 0.76 N ATOM 1499 CA ASN A 96 4.153 -8.597 7.797 1.00 0.86 C ATOM 1500 C ASN A 96 4.282 -7.278 7.052 1.00 0.72 C ATOM 1501 O ASN A 96 3.296 -6.554 6.903 1.00 0.62 O ATOM 1502 CB ASN A 96 4.773 -9.739 6.971 1.00 1.17 C ATOM 1503 CG ASN A 96 4.257 -11.113 7.374 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.825 -11.247 8.618 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.242 -12.044 6.570 1.00 1.67 N flip ATOM 0 H ASN A 96 2.196 -9.041 7.224 1.00 0.76 H new ATOM 0 HA ASN A 96 4.691 -8.539 8.743 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.561 -9.573 5.915 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.857 -9.716 7.086 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.583 -11.902 5.619 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.888 -12.957 6.854 1.00 1.67 H new ATOM 1512 N TRP A 97 5.478 -6.981 6.566 1.00 0.77 N ATOM 1513 CA TRP A 97 5.722 -5.744 5.833 1.00 0.72 C ATOM 1514 C TRP A 97 4.905 -5.712 4.542 1.00 0.63 C ATOM 1515 O TRP A 97 4.012 -4.877 4.378 1.00 0.59 O ATOM 1516 CB TRP A 97 7.212 -5.602 5.505 1.00 0.86 C ATOM 1517 CG TRP A 97 8.100 -5.598 6.713 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.514 -4.507 7.422 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.692 -6.738 7.348 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.328 -4.901 8.457 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.452 -6.264 8.433 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.653 -8.114 7.102 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.165 -7.117 9.270 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.361 -8.958 7.935 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.108 -8.456 9.007 1.00 3.34 C ATOM 0 H TRP A 97 6.298 -7.580 6.665 1.00 0.77 H new ATOM 0 HA TRP A 97 5.415 -4.910 6.464 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.510 -6.420 4.850 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.366 -4.677 4.950 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.242 -3.485 7.202 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.769 -4.278 9.134 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.080 -8.509 6.276 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.743 -6.734 10.098 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.338 -10.023 7.756 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.651 -9.142 9.640 1.00 3.34 H new ATOM 1536 N GLY A 98 5.199 -6.647 3.645 1.00 0.69 N ATOM 1537 CA GLY A 98 4.534 -6.687 2.353 1.00 0.69 C ATOM 1538 C GLY A 98 3.061 -7.026 2.463 1.00 0.62 C ATOM 1539 O GLY A 98 2.263 -6.642 1.616 1.00 0.61 O ATOM 0 H GLY A 98 5.890 -7.383 3.790 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.644 -5.720 1.862 1.00 0.69 H new ATOM 0 HA3 GLY A 98 5.026 -7.424 1.719 1.00 0.69 H new ATOM 1543 N ARG A 99 2.701 -7.741 3.513 1.00 0.65 N ATOM 1544 CA ARG A 99 1.317 -8.110 3.761 1.00 0.67 C ATOM 1545 C ARG A 99 0.445 -6.857 3.866 1.00 0.53 C ATOM 1546 O ARG A 99 -0.674 -6.821 3.357 1.00 0.55 O ATOM 1547 CB ARG A 99 1.246 -8.928 5.053 1.00 0.82 C ATOM 1548 CG ARG A 99 0.019 -9.816 5.170 1.00 1.04 C ATOM 1549 CD ARG A 99 -1.251 -9.001 5.273 1.00 1.50 C ATOM 1550 NE ARG A 99 -1.306 -8.191 6.493 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.941 -7.021 6.580 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.460 -6.464 5.496 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.037 -6.398 7.747 1.00 4.24 N ATOM 0 H ARG A 99 3.356 -8.082 4.216 1.00 0.65 H new ATOM 0 HA ARG A 99 0.942 -8.711 2.933 1.00 0.67 H new ATOM 0 HB2 ARG A 99 2.138 -9.551 5.123 1.00 0.82 H new ATOM 0 HB3 ARG A 99 1.267 -8.245 5.902 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -0.039 -10.473 4.302 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.114 -10.455 6.048 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.330 -8.348 4.404 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -2.111 -9.671 5.247 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.831 -8.542 7.324 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.375 -6.930 4.593 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -2.945 -5.569 5.565 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -1.624 -6.813 8.582 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.523 -5.504 7.809 1.00 4.24 H new ATOM 1567 N ILE A 100 0.964 -5.829 4.517 1.00 0.44 N ATOM 1568 CA ILE A 100 0.193 -4.617 4.755 1.00 0.36 C ATOM 1569 C ILE A 100 -0.090 -3.864 3.455 1.00 0.33 C ATOM 1570 O ILE A 100 -1.123 -3.200 3.324 1.00 0.34 O ATOM 1571 CB ILE A 100 0.897 -3.713 5.789 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.769 -4.354 7.172 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.317 -2.305 5.786 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.458 -3.590 8.273 1.00 0.34 C ATOM 0 H ILE A 100 1.913 -5.808 4.890 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.771 -4.913 5.169 1.00 0.36 H new ATOM 0 HB ILE A 100 1.950 -3.621 5.523 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.288 -4.451 7.419 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.181 -5.362 7.132 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.836 -1.696 6.526 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.443 -1.862 4.798 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.744 -2.348 6.032 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.319 -4.112 9.220 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.523 -3.515 8.053 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.031 -2.590 8.344 1.00 0.34 H new ATOM 1586 N VAL A 101 0.794 -4.014 2.478 1.00 0.33 N ATOM 1587 CA VAL A 101 0.590 -3.406 1.169 1.00 0.35 C ATOM 1588 C VAL A 101 -0.647 -4.005 0.499 1.00 0.37 C ATOM 1589 O VAL A 101 -1.286 -3.377 -0.331 1.00 0.45 O ATOM 1590 CB VAL A 101 1.815 -3.589 0.247 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.086 -3.722 1.062 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.624 -4.762 -0.690 1.00 1.32 C ATOM 0 H VAL A 101 1.657 -4.550 2.566 1.00 0.33 H new ATOM 0 HA VAL A 101 0.447 -2.337 1.327 1.00 0.35 H new ATOM 0 HB VAL A 101 1.912 -2.697 -0.371 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.936 -3.850 0.392 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.229 -2.823 1.662 1.00 1.35 H new ATOM 0 HG13 VAL A 101 3.008 -4.588 1.719 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.503 -4.866 -1.327 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.487 -5.674 -0.108 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.744 -4.592 -1.311 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.983 -5.229 0.876 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.167 -5.884 0.349 1.00 0.39 C ATOM 1604 C ALA A 102 -3.415 -5.177 0.827 1.00 0.35 C ATOM 1605 O ALA A 102 -4.376 -4.985 0.082 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.204 -7.327 0.792 1.00 0.44 C ATOM 0 H ALA A 102 -0.452 -5.787 1.544 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.128 -5.843 -0.740 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.096 -7.808 0.391 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.317 -7.843 0.425 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.226 -7.373 1.881 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.366 -4.776 2.081 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.475 -4.118 2.731 1.00 0.34 C ATOM 1614 C PHE A 103 -4.776 -2.779 2.070 1.00 0.31 C ATOM 1615 O PHE A 103 -5.928 -2.468 1.774 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.147 -3.948 4.215 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.991 -2.924 4.919 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.304 -3.194 5.257 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.463 -1.682 5.240 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.076 -2.247 5.901 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.230 -0.734 5.884 1.00 1.48 C ATOM 1622 CZ PHE A 103 -6.539 -1.017 6.215 1.00 1.49 C ATOM 0 H PHE A 103 -2.549 -4.899 2.679 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.372 -4.729 2.632 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.269 -4.909 4.715 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.098 -3.668 4.314 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.731 -4.156 5.015 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.439 -1.455 4.982 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.101 -2.470 6.159 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.806 0.229 6.129 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.142 -0.276 6.719 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.737 -1.999 1.818 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.926 -0.688 1.224 1.00 0.40 C ATOM 1634 C PHE A 104 -4.120 -0.807 -0.293 1.00 0.39 C ATOM 1635 O PHE A 104 -4.654 0.098 -0.931 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.758 0.246 1.603 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.710 0.438 0.543 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.970 -0.627 0.070 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.458 1.695 0.035 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -0.005 -0.445 -0.897 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.493 1.886 -0.931 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.233 0.815 -1.397 1.00 3.29 C ATOM 0 H PHE A 104 -2.767 -2.247 2.013 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.836 -0.239 1.623 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -3.167 1.222 1.865 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.276 -0.149 2.498 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.150 -1.617 0.463 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.024 2.540 0.398 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.563 -1.288 -1.261 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.307 2.876 -1.321 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.989 0.962 -2.154 1.00 3.29 H new ATOM 1652 N SER A 105 -3.713 -1.946 -0.855 1.00 0.37 N ATOM 1653 CA SER A 105 -3.872 -2.201 -2.283 1.00 0.44 C ATOM 1654 C SER A 105 -5.325 -2.527 -2.611 1.00 0.40 C ATOM 1655 O SER A 105 -5.952 -1.840 -3.419 1.00 0.45 O ATOM 1656 CB SER A 105 -2.955 -3.342 -2.739 1.00 0.50 C ATOM 1657 OG SER A 105 -3.051 -3.561 -4.137 1.00 1.19 O ATOM 0 H SER A 105 -3.270 -2.707 -0.340 1.00 0.37 H new ATOM 0 HA SER A 105 -3.588 -1.297 -2.821 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.923 -3.108 -2.477 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.219 -4.256 -2.208 1.00 0.50 H new ATOM 0 HG SER A 105 -2.152 -3.663 -4.515 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.868 -3.561 -1.971 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.254 -3.946 -2.206 1.00 0.37 C ATOM 1665 C PHE A 106 -8.180 -2.871 -1.656 1.00 0.31 C ATOM 1666 O PHE A 106 -9.312 -2.733 -2.094 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.574 -5.301 -1.566 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.747 -6.000 -2.196 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.616 -6.644 -3.415 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.982 -6.010 -1.567 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.694 -7.286 -3.996 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.063 -6.651 -2.143 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.914 -7.295 -3.363 1.00 2.89 C ATOM 0 H PHE A 106 -5.374 -4.141 -1.293 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.407 -4.045 -3.281 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.697 -5.944 -1.638 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.776 -5.154 -0.505 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.660 -6.645 -3.918 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -10.101 -5.512 -0.616 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.577 -7.781 -4.949 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -12.021 -6.651 -1.645 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.754 -7.802 -3.814 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.683 -2.110 -0.688 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.418 -0.963 -0.199 1.00 0.28 C ATOM 1685 C GLY A 107 -8.523 0.118 -1.253 1.00 0.24 C ATOM 1686 O GLY A 107 -9.579 0.723 -1.439 1.00 0.27 O ATOM 0 H GLY A 107 -6.783 -2.268 -0.234 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.417 -1.273 0.107 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.924 -0.563 0.686 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.420 0.355 -1.955 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.433 1.294 -3.053 1.00 0.22 C ATOM 1692 C GLY A 108 -8.308 0.806 -4.186 1.00 0.22 C ATOM 1693 O GLY A 108 -8.909 1.597 -4.911 1.00 0.23 O ATOM 0 H GLY A 108 -6.518 -0.089 -1.780 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.794 2.261 -2.703 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.416 1.446 -3.416 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.374 -0.506 -4.335 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.236 -1.121 -5.328 1.00 0.26 C ATOM 1699 C ALA A 109 -10.691 -1.071 -4.878 1.00 0.27 C ATOM 1700 O ALA A 109 -11.594 -0.913 -5.697 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.805 -2.552 -5.579 1.00 0.29 C ATOM 0 H ALA A 109 -7.837 -1.169 -3.776 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.148 -0.562 -6.260 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.459 -3.003 -6.325 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.777 -2.564 -5.942 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.869 -3.119 -4.650 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.890 -1.164 -3.564 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.221 -1.116 -2.957 1.00 0.28 C ATOM 1709 C LEU A 110 -12.854 0.208 -3.325 1.00 0.24 C ATOM 1710 O LEU A 110 -14.051 0.310 -3.613 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.093 -1.223 -1.434 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.171 -2.044 -0.711 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.555 -1.448 -0.892 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.147 -3.489 -1.182 1.00 1.12 C ATOM 0 H LEU A 110 -10.133 -1.275 -2.889 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.835 -1.942 -3.316 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.121 -1.658 -1.203 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.097 -0.215 -1.020 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.941 -2.016 0.354 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.287 -2.060 -0.364 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.571 -0.435 -0.489 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.803 -1.420 -1.953 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.918 -4.055 -0.659 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.336 -3.525 -2.255 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.170 -3.924 -0.971 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.003 1.221 -3.302 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.334 2.542 -3.774 1.00 0.19 C ATOM 1728 C CYS A 111 -12.958 2.464 -5.155 1.00 0.20 C ATOM 1729 O CYS A 111 -14.132 2.784 -5.324 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.057 3.372 -3.803 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.224 4.992 -4.557 1.00 0.22 S ATOM 0 H CYS A 111 -11.050 1.140 -2.948 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.060 3.010 -3.109 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.700 3.498 -2.781 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.291 2.814 -4.341 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.204 5.730 -4.231 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.189 1.978 -6.124 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.642 1.924 -7.507 1.00 0.22 C ATOM 1739 C VAL A 112 -13.850 1.009 -7.663 1.00 0.22 C ATOM 1740 O VAL A 112 -14.728 1.289 -8.471 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.542 1.451 -8.468 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -12.067 1.500 -9.892 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.293 2.301 -8.327 1.00 0.27 C ATOM 0 H VAL A 112 -11.247 1.615 -5.975 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.917 2.946 -7.767 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.270 0.425 -8.219 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -11.289 1.165 -10.578 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.936 0.848 -9.982 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.353 2.522 -10.139 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.530 1.944 -9.019 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.532 3.340 -8.555 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.918 2.230 -7.306 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.910 -0.069 -6.888 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.065 -0.962 -6.928 1.00 0.28 C ATOM 1755 C GLU A 113 -16.348 -0.185 -6.653 1.00 0.23 C ATOM 1756 O GLU A 113 -17.432 -0.564 -7.105 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.924 -2.106 -5.914 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.893 -3.154 -6.294 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.604 -4.142 -5.183 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -12.727 -3.858 -4.348 1.00 2.51 O ATOM 1761 OE2 GLU A 113 -14.253 -5.210 -5.159 1.00 2.34 O ATOM 0 H GLU A 113 -13.181 -0.345 -6.230 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.113 -1.395 -7.927 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.657 -1.686 -4.944 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.892 -2.592 -5.795 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.244 -3.697 -7.171 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.966 -2.655 -6.577 1.00 0.53 H new ATOM 1768 N SER A 114 -16.211 0.927 -5.946 1.00 0.18 N ATOM 1769 CA SER A 114 -17.342 1.744 -5.581 1.00 0.19 C ATOM 1770 C SER A 114 -17.642 2.682 -6.722 1.00 0.22 C ATOM 1771 O SER A 114 -18.786 2.865 -7.120 1.00 0.28 O ATOM 1772 CB SER A 114 -17.018 2.530 -4.313 1.00 0.18 C ATOM 1773 OG SER A 114 -16.755 1.653 -3.230 1.00 0.20 O ATOM 0 H SER A 114 -15.314 1.281 -5.614 1.00 0.18 H new ATOM 0 HA SER A 114 -18.214 1.120 -5.385 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.153 3.169 -4.487 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.853 3.185 -4.062 1.00 0.18 H new ATOM 0 HG SER A 114 -15.884 1.223 -3.361 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.582 3.213 -7.291 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.685 4.167 -8.354 1.00 0.27 C ATOM 1781 C VAL A 115 -17.213 3.477 -9.604 1.00 0.28 C ATOM 1782 O VAL A 115 -17.888 4.073 -10.440 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.327 4.824 -8.617 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.359 4.581 -7.507 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.765 4.453 -9.953 1.00 1.10 C ATOM 0 H VAL A 115 -15.624 2.989 -7.022 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.383 4.954 -8.068 1.00 0.27 H new ATOM 0 HB VAL A 115 -15.503 5.899 -8.646 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.411 5.066 -7.739 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -14.759 4.990 -6.579 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -14.200 3.509 -7.391 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.802 4.944 -10.092 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.632 3.372 -10.004 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -15.451 4.772 -10.738 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.879 2.206 -9.675 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.326 1.288 -10.713 1.00 0.34 C ATOM 1797 C ASP A 116 -18.837 1.323 -10.877 1.00 0.35 C ATOM 1798 O ASP A 116 -19.358 1.489 -11.981 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.899 -0.120 -10.317 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.138 -1.138 -11.412 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.566 -0.981 -12.509 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -17.880 -2.114 -11.175 1.00 0.60 O ATOM 0 H ASP A 116 -16.267 1.763 -8.989 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.880 1.585 -11.662 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.840 -0.114 -10.058 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.444 -0.421 -9.422 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.540 1.178 -9.763 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.995 1.206 -9.764 1.00 0.35 C ATOM 1809 C LYS A 117 -21.482 2.649 -9.724 1.00 0.34 C ATOM 1810 O LYS A 117 -22.665 2.913 -9.516 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.540 0.458 -8.548 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.624 -0.634 -8.016 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.405 -1.739 -9.024 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.852 -2.985 -8.357 1.00 0.61 C ATOM 1815 NZ LYS A 117 -20.827 -3.570 -7.394 1.00 1.62 N ATOM 0 H LYS A 117 -19.123 1.039 -8.842 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.352 0.722 -10.673 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.729 1.176 -7.750 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.500 0.013 -8.811 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.663 -0.198 -7.743 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -21.053 -1.054 -7.107 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.347 -1.975 -9.519 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.715 -1.399 -9.796 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.602 -3.725 -9.117 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.927 -2.739 -7.835 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.584 -4.565 -7.215 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.793 -3.039 -6.500 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -21.786 -3.514 -7.794 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.543 3.570 -9.918 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.801 4.998 -9.832 1.00 0.33 C ATOM 1831 C GLU A 118 -21.226 5.359 -8.423 1.00 0.31 C ATOM 1832 O GLU A 118 -22.289 5.929 -8.186 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.824 5.444 -10.876 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.339 5.212 -12.297 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.197 5.902 -13.330 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -21.933 7.082 -13.638 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -23.150 5.270 -13.832 1.00 1.88 O ATOM 0 H GLU A 118 -19.574 3.341 -10.141 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.880 5.537 -10.055 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.757 4.903 -10.721 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.042 6.503 -10.738 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.313 5.568 -12.388 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.324 4.141 -12.500 1.00 0.49 H new ATOM 1844 N MET A 119 -20.360 4.993 -7.493 1.00 0.26 N ATOM 1845 CA MET A 119 -20.549 5.253 -6.077 1.00 0.26 C ATOM 1846 C MET A 119 -19.235 5.770 -5.528 1.00 0.25 C ATOM 1847 O MET A 119 -18.830 5.436 -4.418 1.00 0.23 O ATOM 1848 CB MET A 119 -20.937 3.975 -5.326 1.00 0.25 C ATOM 1849 CG MET A 119 -22.107 3.220 -5.926 1.00 0.28 C ATOM 1850 SD MET A 119 -22.378 1.634 -5.112 1.00 0.31 S ATOM 1851 CE MET A 119 -20.709 0.972 -5.131 1.00 0.29 C ATOM 0 H MET A 119 -19.493 4.499 -7.705 1.00 0.26 H new ATOM 0 HA MET A 119 -21.352 5.978 -5.945 1.00 0.26 H new ATOM 0 HB2 MET A 119 -20.072 3.312 -5.293 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.179 4.234 -4.295 1.00 0.25 H new ATOM 0 HG2 MET A 119 -23.009 3.827 -5.846 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.926 3.056 -6.988 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.748 -0.116 -5.073 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.210 1.269 -6.054 1.00 0.29 H new ATOM 0 HE3 MET A 119 -20.154 1.361 -4.277 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.562 6.569 -6.348 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.265 7.145 -6.027 1.00 0.31 C ATOM 1863 C GLN A 120 -17.241 7.881 -4.669 1.00 0.32 C ATOM 1864 O GLN A 120 -16.195 8.321 -4.221 1.00 0.33 O ATOM 1865 CB GLN A 120 -16.853 8.099 -7.136 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.149 7.575 -8.527 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.432 8.130 -9.118 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.906 9.192 -8.724 1.00 1.15 O ATOM 1869 NE2 GLN A 120 -18.974 7.436 -10.100 1.00 0.55 N ATOM 0 H GLN A 120 -18.909 6.838 -7.269 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.559 6.318 -5.944 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.369 9.049 -6.997 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -15.785 8.301 -7.052 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.317 7.823 -9.186 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.214 6.488 -8.492 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.550 6.558 -10.398 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.817 7.778 -10.561 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.390 8.043 -4.029 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.446 8.669 -2.709 1.00 0.35 C ATOM 1880 C VAL A 121 -17.776 7.801 -1.634 1.00 0.31 C ATOM 1881 O VAL A 121 -17.351 8.304 -0.595 1.00 0.36 O ATOM 1882 CB VAL A 121 -19.896 8.967 -2.286 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.529 9.980 -3.224 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.710 7.686 -2.248 1.00 0.38 C ATOM 0 H VAL A 121 -19.295 7.752 -4.398 1.00 0.32 H new ATOM 0 HA VAL A 121 -17.898 9.607 -2.793 1.00 0.35 H new ATOM 0 HB VAL A 121 -19.883 9.395 -1.284 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.553 10.177 -2.909 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -19.956 10.907 -3.198 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.532 9.583 -4.239 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.733 7.914 -1.947 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.716 7.229 -3.238 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.267 6.994 -1.532 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.670 6.499 -1.890 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.012 5.583 -0.956 1.00 0.21 C ATOM 1896 C LEU A 122 -15.522 5.820 -0.967 1.00 0.19 C ATOM 1897 O LEU A 122 -14.829 5.527 0.000 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.278 4.116 -1.309 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.652 3.565 -0.936 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.960 3.867 0.520 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.725 4.117 -1.860 1.00 0.22 C ATOM 0 H LEU A 122 -18.030 6.053 -2.734 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.424 5.781 0.034 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.141 3.993 -2.383 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.520 3.504 -0.819 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.642 2.482 -1.061 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.942 3.469 0.774 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.205 3.403 1.155 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.954 4.946 0.677 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.695 3.710 -1.575 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.750 5.204 -1.781 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.501 3.833 -2.888 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.057 6.354 -2.079 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.647 6.620 -2.313 1.00 0.20 C ATOM 1915 C VAL A 123 -12.963 7.275 -1.107 1.00 0.22 C ATOM 1916 O VAL A 123 -11.912 6.813 -0.660 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.511 7.492 -3.573 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.115 8.076 -3.720 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -13.896 6.661 -4.795 1.00 0.23 C ATOM 0 H VAL A 123 -15.657 6.621 -2.860 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.136 5.669 -2.464 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.187 8.342 -3.482 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.068 8.684 -4.624 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.887 8.696 -2.853 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.388 7.267 -3.789 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.803 7.271 -5.694 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.234 5.798 -4.872 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -14.926 6.320 -4.693 1.00 0.23 H new ATOM 1929 N SER A 124 -13.558 8.327 -0.564 1.00 0.24 N ATOM 1930 CA SER A 124 -12.966 8.998 0.590 1.00 0.28 C ATOM 1931 C SER A 124 -13.240 8.208 1.870 1.00 0.27 C ATOM 1932 O SER A 124 -12.400 8.152 2.770 1.00 0.33 O ATOM 1933 CB SER A 124 -13.508 10.419 0.738 1.00 0.36 C ATOM 1934 OG SER A 124 -12.725 11.168 1.656 1.00 1.35 O ATOM 0 H SER A 124 -14.434 8.731 -0.894 1.00 0.24 H new ATOM 0 HA SER A 124 -11.890 9.051 0.425 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.510 10.914 -0.233 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.542 10.384 1.080 1.00 0.36 H new ATOM 0 HG SER A 124 -12.987 10.939 2.572 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.413 7.586 1.931 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.842 6.858 3.119 1.00 0.23 C ATOM 1942 C ARG A 125 -13.903 5.691 3.395 1.00 0.21 C ATOM 1943 O ARG A 125 -13.425 5.509 4.514 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.271 6.336 2.940 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.260 7.395 2.482 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.684 6.883 2.520 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.651 7.912 2.144 1.00 1.44 N ATOM 1948 CZ ARG A 125 -20.919 7.929 2.558 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.359 7.002 3.401 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -21.738 8.886 2.141 1.00 2.67 N ATOM 0 H ARG A 125 -15.087 7.572 1.166 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.817 7.544 3.966 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.262 5.523 2.214 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.615 5.916 3.885 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.172 8.275 3.119 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.013 7.710 1.468 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.781 6.032 1.845 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.912 6.522 3.523 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.338 8.662 1.528 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.727 6.274 3.734 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.329 7.018 3.716 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.398 9.607 1.505 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.708 8.901 2.457 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.644 4.911 2.358 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.747 3.769 2.450 1.00 0.19 C ATOM 1966 C ILE A 126 -11.366 4.204 2.918 1.00 0.20 C ATOM 1967 O ILE A 126 -10.844 3.663 3.890 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.640 3.054 1.089 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.043 2.640 0.634 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.722 1.845 1.183 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.103 2.097 -0.771 1.00 0.18 C ATOM 0 H ILE A 126 -14.048 5.050 1.432 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.160 3.074 3.181 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.208 3.735 0.355 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.427 1.885 1.320 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.705 3.503 0.707 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.662 1.357 0.210 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.727 2.167 1.489 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.118 1.144 1.917 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.131 1.828 -1.014 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.752 2.856 -1.470 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.469 1.213 -0.847 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.796 5.199 2.242 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.462 5.697 2.576 1.00 0.24 C ATOM 1985 C ALA A 127 -9.368 6.090 4.050 1.00 0.24 C ATOM 1986 O ALA A 127 -8.336 5.886 4.694 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.104 6.879 1.690 1.00 0.27 C ATOM 0 H ALA A 127 -11.238 5.678 1.457 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.749 4.892 2.398 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.109 7.240 1.949 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.116 6.568 0.645 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.830 7.678 1.839 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.453 6.648 4.572 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.533 7.019 5.978 1.00 0.22 C ATOM 1995 C ALA A 128 -10.382 5.800 6.874 1.00 0.23 C ATOM 1996 O ALA A 128 -9.497 5.739 7.731 1.00 0.28 O ATOM 1997 CB ALA A 128 -11.867 7.689 6.267 1.00 0.23 C ATOM 0 H ALA A 128 -11.296 6.855 4.037 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.719 7.713 6.188 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -11.916 7.962 7.321 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -11.964 8.586 5.655 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.679 7.000 6.033 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.244 4.825 6.648 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.306 3.643 7.487 1.00 0.35 C ATOM 2005 C TRP A 129 -10.109 2.723 7.253 1.00 0.25 C ATOM 2006 O TRP A 129 -9.746 1.932 8.125 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.619 2.904 7.236 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.827 3.701 7.626 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.806 4.165 6.796 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.175 4.139 8.943 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -15.741 4.866 7.516 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.378 4.862 8.837 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -13.589 3.988 10.203 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.002 5.434 9.941 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -14.211 4.556 11.298 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -15.406 5.271 11.159 1.00 3.91 C ATOM 0 H TRP A 129 -11.917 4.830 5.882 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.267 3.959 8.530 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.687 2.646 6.179 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.614 1.967 7.793 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.840 4.004 5.729 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.571 5.317 7.130 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -12.667 3.437 10.318 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -16.924 5.987 9.839 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -13.768 4.447 12.277 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -15.867 5.704 12.035 1.00 3.91 H new ATOM 2027 N MET A 130 -9.499 2.830 6.078 1.00 0.24 N ATOM 2028 CA MET A 130 -8.275 2.093 5.782 1.00 0.26 C ATOM 2029 C MET A 130 -7.140 2.582 6.660 1.00 0.25 C ATOM 2030 O MET A 130 -6.554 1.817 7.427 1.00 0.29 O ATOM 2031 CB MET A 130 -7.878 2.263 4.320 1.00 0.31 C ATOM 2032 CG MET A 130 -8.780 1.538 3.349 1.00 0.29 C ATOM 2033 SD MET A 130 -8.340 1.879 1.639 1.00 1.08 S ATOM 2034 CE MET A 130 -6.668 1.251 1.610 1.00 0.31 C ATOM 0 H MET A 130 -9.831 3.420 5.315 1.00 0.24 H new ATOM 0 HA MET A 130 -8.466 1.038 5.981 1.00 0.26 H new ATOM 0 HB2 MET A 130 -7.878 3.325 4.076 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.857 1.905 4.188 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.721 0.465 3.532 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.814 1.835 3.524 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.308 1.222 0.582 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.024 1.902 2.201 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.650 0.245 2.030 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.845 3.870 6.554 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.761 4.463 7.312 1.00 0.24 C ATOM 2046 C ALA A 131 -6.023 4.348 8.803 1.00 0.24 C ATOM 2047 O ALA A 131 -5.098 4.156 9.588 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.566 5.911 6.915 1.00 0.25 C ATOM 0 H ALA A 131 -7.344 4.522 5.949 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.845 3.917 7.084 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.748 6.340 7.494 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.328 5.968 5.853 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.482 6.469 7.112 1.00 0.25 H new ATOM 2054 N THR A 132 -7.287 4.464 9.191 1.00 0.26 N ATOM 2055 CA THR A 132 -7.659 4.294 10.585 1.00 0.29 C ATOM 2056 C THR A 132 -7.365 2.873 11.059 1.00 0.30 C ATOM 2057 O THR A 132 -6.798 2.678 12.134 1.00 0.32 O ATOM 2058 CB THR A 132 -9.144 4.599 10.831 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.438 5.949 10.447 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.478 4.388 12.300 1.00 0.40 C ATOM 0 H THR A 132 -8.064 4.673 8.564 1.00 0.26 H new ATOM 0 HA THR A 132 -7.059 5.006 11.151 1.00 0.29 H new ATOM 0 HB THR A 132 -9.751 3.923 10.229 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.407 6.026 9.470 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.533 4.606 12.468 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.273 3.353 12.575 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.868 5.053 12.911 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.759 1.881 10.264 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.475 0.493 10.601 1.00 0.32 C ATOM 2070 C TYR A 133 -5.976 0.301 10.781 1.00 0.32 C ATOM 2071 O TYR A 133 -5.535 -0.419 11.675 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.001 -0.464 9.529 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.858 -1.919 9.921 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.830 -2.556 10.683 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.758 -2.659 9.508 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.707 -3.888 11.024 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.632 -3.993 9.841 1.00 2.40 C ATOM 2078 CZ TYR A 133 -7.585 -4.577 10.682 1.00 2.40 C ATOM 2079 OH TYR A 133 -7.492 -5.931 10.924 1.00 3.13 O ATOM 0 H TYR A 133 -8.270 2.012 9.391 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.987 0.262 11.535 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -9.052 -0.246 9.337 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.464 -0.289 8.597 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.695 -2.000 11.014 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.989 -2.184 8.917 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -9.502 -4.383 11.562 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.809 -4.578 9.457 1.00 2.40 H new ATOM 0 HH TYR A 133 -6.578 -6.152 11.198 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.196 0.957 9.933 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.755 0.951 10.084 1.00 0.30 C ATOM 2091 C LEU A 134 -3.392 1.611 11.412 1.00 0.32 C ATOM 2092 O LEU A 134 -2.674 1.036 12.216 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.082 1.676 8.905 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.583 1.394 8.717 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.123 1.864 7.347 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.753 2.065 9.801 1.00 0.88 C ATOM 0 H LEU A 134 -5.539 1.497 9.138 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.393 -0.077 10.085 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.603 1.400 7.988 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.217 2.749 9.038 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.436 0.317 8.794 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.059 1.657 7.230 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.683 1.337 6.575 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.297 2.936 7.253 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.302 1.846 9.639 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.910 3.143 9.764 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.056 1.687 10.778 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.932 2.798 11.639 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.671 3.568 12.856 1.00 0.35 C ATOM 2110 C ASN A 135 -3.898 2.755 14.126 1.00 0.38 C ATOM 2111 O ASN A 135 -3.050 2.740 15.020 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.563 4.813 12.891 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.895 6.040 12.316 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.281 6.826 13.038 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -3.990 6.206 11.012 1.00 0.34 N ATOM 0 H ASN A 135 -4.565 3.260 10.986 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.619 3.853 12.828 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.479 4.612 12.335 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.854 5.015 13.922 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.545 7.009 10.566 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.508 5.532 10.448 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.042 2.094 14.215 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.391 1.351 15.419 1.00 0.42 C ATOM 2124 C ASP A 136 -4.762 -0.041 15.438 1.00 0.40 C ATOM 2125 O ASP A 136 -4.114 -0.431 16.408 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.913 1.240 15.535 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.349 0.217 16.564 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.278 0.509 17.776 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.777 -0.882 16.159 1.00 0.58 O ATOM 0 H ASP A 136 -5.742 2.056 13.474 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.994 1.899 16.273 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.325 2.214 15.800 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.329 0.972 14.564 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.952 -0.780 14.361 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.591 -2.193 14.323 1.00 0.38 C ATOM 2136 C HIS A 137 -3.170 -2.436 13.815 1.00 0.35 C ATOM 2137 O HIS A 137 -2.391 -3.149 14.446 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.587 -2.937 13.435 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.597 -3.751 14.189 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.505 -3.209 15.073 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.850 -5.082 14.171 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.270 -4.165 15.560 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -7.895 -5.310 15.029 1.00 1.34 N ATOM 0 H HIS A 137 -5.356 -0.427 13.494 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.626 -2.565 15.347 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -6.113 -2.213 12.813 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -5.036 -3.595 12.763 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.574 -2.220 15.313 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -6.326 -5.825 13.589 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.069 -4.032 16.274 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.841 -1.845 12.679 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.631 -2.177 11.956 1.00 0.29 C ATOM 2154 C LEU A 138 -0.387 -1.504 12.512 1.00 0.27 C ATOM 2155 O LEU A 138 0.656 -2.138 12.643 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.837 -1.767 10.516 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.962 -2.913 9.537 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.586 -4.137 10.186 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.776 -2.481 8.334 1.00 1.20 C ATOM 0 H LEU A 138 -3.407 -1.122 12.234 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.457 -3.248 12.056 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.737 -1.155 10.453 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -1.002 -1.137 10.210 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.959 -3.188 9.212 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.660 -4.940 9.453 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.965 -4.463 11.020 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.582 -3.887 10.552 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.861 -3.313 7.634 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.771 -2.177 8.658 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.282 -1.642 7.843 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.506 -0.220 12.803 1.00 0.30 N ATOM 2172 CA GLU A 139 0.617 0.601 13.246 1.00 0.31 C ATOM 2173 C GLU A 139 1.438 -0.074 14.356 1.00 0.30 C ATOM 2174 O GLU A 139 2.660 -0.156 14.232 1.00 0.30 O ATOM 2175 CB GLU A 139 0.135 1.980 13.703 1.00 0.38 C ATOM 2176 CG GLU A 139 1.261 2.975 13.904 1.00 0.40 C ATOM 2177 CD GLU A 139 0.786 4.264 14.534 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.158 5.080 13.835 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.038 4.461 15.743 1.00 0.61 O ATOM 0 H GLU A 139 -1.388 0.289 12.739 1.00 0.30 H new ATOM 0 HA GLU A 139 1.276 0.722 12.386 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.562 2.376 12.965 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.416 1.873 14.637 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.029 2.527 14.534 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.725 3.193 12.942 1.00 0.40 H new ATOM 2186 N PRO A 140 0.803 -0.576 15.447 1.00 0.32 N ATOM 2187 CA PRO A 140 1.529 -1.295 16.500 1.00 0.34 C ATOM 2188 C PRO A 140 2.367 -2.434 15.931 1.00 0.32 C ATOM 2189 O PRO A 140 3.558 -2.545 16.216 1.00 0.34 O ATOM 2190 CB PRO A 140 0.420 -1.852 17.392 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.738 -0.949 17.175 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.642 -0.483 15.752 1.00 0.36 C ATOM 0 HA PRO A 140 2.228 -0.647 17.029 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.175 -2.879 17.122 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.723 -1.861 18.439 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.678 -1.472 17.351 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.709 -0.105 17.864 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.233 -1.111 15.085 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -1.010 0.537 15.639 1.00 0.36 H new ATOM 2200 N TRP A 141 1.730 -3.260 15.112 1.00 0.31 N ATOM 2201 CA TRP A 141 2.390 -4.387 14.459 1.00 0.32 C ATOM 2202 C TRP A 141 3.556 -3.901 13.603 1.00 0.31 C ATOM 2203 O TRP A 141 4.658 -4.429 13.684 1.00 0.36 O ATOM 2204 CB TRP A 141 1.378 -5.128 13.587 1.00 0.35 C ATOM 2205 CG TRP A 141 1.442 -6.617 13.715 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.224 -7.468 12.994 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.686 -7.430 14.619 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.992 -8.764 13.384 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.057 -8.767 14.385 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.268 -7.159 15.604 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.506 -9.827 15.097 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.812 -8.213 16.312 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.424 -9.533 16.055 1.00 1.20 C ATOM 0 H TRP A 141 0.741 -3.169 14.880 1.00 0.31 H new ATOM 0 HA TRP A 141 2.780 -5.061 15.221 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.374 -4.794 13.849 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.543 -4.855 12.545 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.924 -7.168 12.228 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.443 -9.591 12.992 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.574 -6.144 15.808 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 0.802 -10.847 14.900 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.549 -8.015 17.076 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -0.868 -10.336 16.625 1.00 1.20 H new ATOM 2224 N ILE A 142 3.300 -2.884 12.795 1.00 0.26 N ATOM 2225 CA ILE A 142 4.325 -2.255 11.967 1.00 0.26 C ATOM 2226 C ILE A 142 5.559 -1.903 12.785 1.00 0.29 C ATOM 2227 O ILE A 142 6.683 -2.242 12.416 1.00 0.32 O ATOM 2228 CB ILE A 142 3.752 -0.979 11.326 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.749 -1.362 10.250 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.853 -0.096 10.760 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.764 -0.273 9.932 1.00 0.26 C ATOM 0 H ILE A 142 2.374 -2.468 12.693 1.00 0.26 H new ATOM 0 HA ILE A 142 4.621 -2.963 11.193 1.00 0.26 H new ATOM 0 HB ILE A 142 3.245 -0.398 12.096 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.288 -1.630 9.341 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.205 -2.250 10.571 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.412 0.796 10.315 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.533 0.196 11.560 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.405 -0.646 9.998 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.080 -0.617 9.156 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.199 -0.021 10.829 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.298 0.609 9.580 1.00 0.26 H new ATOM 2243 N GLN A 143 5.333 -1.219 13.891 1.00 0.30 N ATOM 2244 CA GLN A 143 6.411 -0.795 14.773 1.00 0.35 C ATOM 2245 C GLN A 143 7.198 -1.991 15.316 1.00 0.39 C ATOM 2246 O GLN A 143 8.403 -1.892 15.542 1.00 0.43 O ATOM 2247 CB GLN A 143 5.843 0.032 15.919 1.00 0.41 C ATOM 2248 CG GLN A 143 5.051 1.245 15.452 1.00 0.43 C ATOM 2249 CD GLN A 143 5.898 2.242 14.685 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.102 2.360 14.912 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.272 2.969 13.775 1.00 0.52 N ATOM 0 H GLN A 143 4.403 -0.941 14.205 1.00 0.30 H new ATOM 0 HA GLN A 143 7.103 -0.184 14.194 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.199 -0.601 16.530 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.661 0.365 16.558 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.227 0.914 14.820 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.610 1.740 16.317 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.272 2.840 13.618 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.789 3.659 13.230 1.00 0.52 H new ATOM 2260 N GLU A 144 6.523 -3.128 15.498 1.00 0.40 N ATOM 2261 CA GLU A 144 7.175 -4.355 15.953 1.00 0.47 C ATOM 2262 C GLU A 144 8.165 -4.856 14.911 1.00 0.48 C ATOM 2263 O GLU A 144 9.079 -5.625 15.209 1.00 0.55 O ATOM 2264 CB GLU A 144 6.118 -5.427 16.195 1.00 0.51 C ATOM 2265 CG GLU A 144 5.033 -4.994 17.151 1.00 0.52 C ATOM 2266 CD GLU A 144 5.458 -5.068 18.600 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.239 -4.199 19.045 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.005 -5.991 19.308 1.00 0.78 O ATOM 0 H GLU A 144 5.520 -3.223 15.336 1.00 0.40 H new ATOM 0 HA GLU A 144 7.714 -4.142 16.876 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.665 -5.701 15.242 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.602 -6.322 16.587 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.737 -3.971 16.917 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.154 -5.622 17.003 1.00 0.52 H new ATOM 2275 N ASN A 145 7.965 -4.406 13.688 1.00 0.44 N ATOM 2276 CA ASN A 145 8.741 -4.862 12.552 1.00 0.48 C ATOM 2277 C ASN A 145 9.632 -3.744 12.037 1.00 0.47 C ATOM 2278 O ASN A 145 10.296 -3.873 11.007 1.00 0.57 O ATOM 2279 CB ASN A 145 7.786 -5.356 11.468 1.00 0.49 C ATOM 2280 CG ASN A 145 7.057 -6.607 11.910 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.444 -7.726 11.568 1.00 0.93 O ATOM 2282 ND2 ASN A 145 6.014 -6.428 12.703 1.00 0.54 N ATOM 0 H ASN A 145 7.257 -3.711 13.453 1.00 0.44 H new ATOM 0 HA ASN A 145 9.391 -5.684 12.852 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.063 -4.575 11.233 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.344 -5.560 10.554 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.497 -7.234 13.055 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.726 -5.484 12.962 1.00 0.54 H new ATOM 2289 N GLY A 146 9.632 -2.640 12.765 1.00 0.42 N ATOM 2290 CA GLY A 146 10.538 -1.558 12.474 1.00 0.45 C ATOM 2291 C GLY A 146 9.834 -0.260 12.147 1.00 0.44 C ATOM 2292 O GLY A 146 10.190 0.795 12.672 1.00 0.56 O ATOM 0 H GLY A 146 9.013 -2.476 13.559 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.194 -1.402 13.331 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.173 -1.841 11.634 1.00 0.45 H new ATOM 2296 N GLY A 147 8.838 -0.329 11.285 1.00 0.36 N ATOM 2297 CA GLY A 147 8.140 0.870 10.872 1.00 0.36 C ATOM 2298 C GLY A 147 8.022 0.969 9.367 1.00 0.38 C ATOM 2299 O GLY A 147 8.380 0.033 8.649 1.00 0.49 O ATOM 0 H GLY A 147 8.498 -1.193 10.862 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.144 0.880 11.315 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.667 1.745 11.252 1.00 0.36 H new ATOM 2303 N TRP A 148 7.538 2.105 8.889 1.00 0.35 N ATOM 2304 CA TRP A 148 7.317 2.310 7.469 1.00 0.37 C ATOM 2305 C TRP A 148 8.635 2.563 6.749 1.00 0.38 C ATOM 2306 O TRP A 148 8.818 2.133 5.612 1.00 0.40 O ATOM 2307 CB TRP A 148 6.357 3.475 7.252 1.00 0.39 C ATOM 2308 CG TRP A 148 5.009 3.263 7.875 1.00 0.46 C ATOM 2309 CD1 TRP A 148 4.030 2.418 7.438 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.487 3.913 9.040 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.932 2.503 8.260 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.188 3.414 9.251 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.993 4.870 9.926 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.391 3.839 10.310 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.200 5.290 10.976 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.912 4.774 11.161 1.00 3.32 C ATOM 0 H TRP A 148 7.289 2.905 9.471 1.00 0.35 H new ATOM 0 HA TRP A 148 6.872 1.406 7.053 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.800 4.382 7.663 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.232 3.638 6.182 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.107 1.776 6.573 1.00 0.79 H new ATOM 0 HE1 TRP A 148 2.067 1.974 8.150 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.986 5.273 9.791 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.396 3.444 10.454 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.580 6.029 11.666 1.00 3.57 H new ATOM 0 HH2 TRP A 148 2.317 5.122 11.993 1.00 3.32 H new ATOM 2327 N ASP A 149 9.556 3.256 7.417 1.00 0.42 N ATOM 2328 CA ASP A 149 10.896 3.474 6.869 1.00 0.47 C ATOM 2329 C ASP A 149 11.569 2.136 6.614 1.00 0.47 C ATOM 2330 O ASP A 149 12.176 1.917 5.564 1.00 0.52 O ATOM 2331 CB ASP A 149 11.751 4.300 7.830 1.00 0.56 C ATOM 2332 CG ASP A 149 13.144 4.581 7.289 1.00 1.23 C ATOM 2333 OD1 ASP A 149 14.060 3.756 7.507 1.00 1.96 O ATOM 2334 OD2 ASP A 149 13.334 5.643 6.653 1.00 1.72 O ATOM 0 H ASP A 149 9.401 3.675 8.334 1.00 0.42 H new ATOM 0 HA ASP A 149 10.798 4.023 5.932 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.249 5.245 8.035 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.835 3.772 8.780 1.00 0.56 H new ATOM 2339 N THR A 150 11.431 1.239 7.581 1.00 0.47 N ATOM 2340 CA THR A 150 11.987 -0.096 7.484 1.00 0.51 C ATOM 2341 C THR A 150 11.410 -0.843 6.287 1.00 0.50 C ATOM 2342 O THR A 150 12.108 -1.617 5.636 1.00 0.56 O ATOM 2343 CB THR A 150 11.719 -0.898 8.768 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.325 -0.238 9.889 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.259 -2.314 8.645 1.00 0.67 C ATOM 0 H THR A 150 10.931 1.420 8.451 1.00 0.47 H new ATOM 0 HA THR A 150 13.064 0.008 7.350 1.00 0.51 H new ATOM 0 HB THR A 150 10.641 -0.955 8.921 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.857 -0.883 10.400 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.057 -2.862 9.566 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.773 -2.818 7.809 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.335 -2.279 8.472 1.00 0.67 H new ATOM 2353 N PHE A 151 10.147 -0.594 5.976 1.00 0.45 N ATOM 2354 CA PHE A 151 9.522 -1.258 4.846 1.00 0.47 C ATOM 2355 C PHE A 151 10.259 -0.913 3.560 1.00 0.48 C ATOM 2356 O PHE A 151 10.490 -1.780 2.726 1.00 0.55 O ATOM 2357 CB PHE A 151 8.043 -0.889 4.710 1.00 0.47 C ATOM 2358 CG PHE A 151 7.412 -1.519 3.503 1.00 1.18 C ATOM 2359 CD1 PHE A 151 6.970 -2.831 3.538 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.233 -0.790 2.341 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.366 -3.403 2.435 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.626 -1.355 1.238 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.297 -2.704 1.253 1.00 3.00 C ATOM 0 H PHE A 151 9.543 0.054 6.483 1.00 0.45 H new ATOM 0 HA PHE A 151 9.582 -2.331 5.027 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.507 -1.205 5.605 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.945 0.195 4.646 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.099 -3.414 4.438 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.573 0.234 2.297 1.00 1.75 H new ATOM 0 HE1 PHE A 151 5.949 -4.397 2.501 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.408 -0.752 0.369 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.990 -3.200 0.344 1.00 3.00 H new ATOM 2373 N VAL A 152 10.644 0.347 3.411 1.00 0.45 N ATOM 2374 CA VAL A 152 11.361 0.774 2.219 1.00 0.49 C ATOM 2375 C VAL A 152 12.821 0.312 2.277 1.00 0.57 C ATOM 2376 O VAL A 152 13.462 0.109 1.245 1.00 0.64 O ATOM 2377 CB VAL A 152 11.247 2.305 1.961 1.00 0.60 C ATOM 2378 CG1 VAL A 152 10.315 2.963 2.962 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.603 2.993 1.945 1.00 0.91 C ATOM 0 H VAL A 152 10.474 1.085 4.094 1.00 0.45 H new ATOM 0 HA VAL A 152 10.883 0.294 1.365 1.00 0.49 H new ATOM 0 HB VAL A 152 10.818 2.424 0.966 1.00 0.60 H new ATOM 0 HG11 VAL A 152 10.256 4.032 2.756 1.00 1.15 H new ATOM 0 HG12 VAL A 152 9.322 2.522 2.879 1.00 1.15 H new ATOM 0 HG13 VAL A 152 10.697 2.808 3.971 1.00 1.15 H new ATOM 0 HG21 VAL A 152 12.468 4.059 1.761 1.00 0.91 H new ATOM 0 HG22 VAL A 152 13.095 2.850 2.907 1.00 0.91 H new ATOM 0 HG23 VAL A 152 13.219 2.564 1.155 1.00 0.91 H new ATOM 2389 N GLU A 153 13.342 0.141 3.487 1.00 0.59 N ATOM 2390 CA GLU A 153 14.648 -0.485 3.664 1.00 0.69 C ATOM 2391 C GLU A 153 14.649 -1.863 3.002 1.00 0.70 C ATOM 2392 O GLU A 153 15.560 -2.212 2.251 1.00 0.80 O ATOM 2393 CB GLU A 153 14.980 -0.623 5.154 1.00 0.76 C ATOM 2394 CG GLU A 153 15.143 0.707 5.866 1.00 0.80 C ATOM 2395 CD GLU A 153 16.473 1.365 5.579 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.608 2.008 4.516 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.398 1.235 6.401 1.00 1.58 O ATOM 0 H GLU A 153 12.885 0.424 4.354 1.00 0.59 H new ATOM 0 HA GLU A 153 15.406 0.144 3.197 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.189 -1.193 5.643 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.900 -1.198 5.261 1.00 0.76 H new ATOM 0 HG2 GLU A 153 14.338 1.377 5.563 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.043 0.554 6.940 1.00 0.80 H new ATOM 2404 N LEU A 154 13.607 -2.630 3.293 1.00 0.67 N ATOM 2405 CA LEU A 154 13.426 -3.963 2.752 1.00 0.72 C ATOM 2406 C LEU A 154 12.908 -3.956 1.309 1.00 0.74 C ATOM 2407 O LEU A 154 13.578 -4.435 0.397 1.00 0.83 O ATOM 2408 CB LEU A 154 12.432 -4.708 3.641 1.00 0.72 C ATOM 2409 CG LEU A 154 12.987 -5.233 4.966 1.00 0.83 C ATOM 2410 CD1 LEU A 154 13.678 -4.153 5.779 1.00 1.30 C ATOM 2411 CD2 LEU A 154 11.876 -5.862 5.782 1.00 1.14 C ATOM 0 H LEU A 154 12.857 -2.337 3.919 1.00 0.67 H new ATOM 0 HA LEU A 154 14.399 -4.454 2.736 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.597 -4.042 3.857 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.030 -5.550 3.078 1.00 0.72 H new ATOM 0 HG LEU A 154 13.739 -5.983 4.722 1.00 0.83 H new ATOM 0 HD11 LEU A 154 14.053 -4.581 6.709 1.00 1.30 H new ATOM 0 HD12 LEU A 154 14.510 -3.743 5.207 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.968 -3.358 6.006 1.00 1.30 H new ATOM 0 HD21 LEU A 154 12.281 -6.233 6.723 1.00 1.14 H new ATOM 0 HD22 LEU A 154 11.108 -5.116 5.986 1.00 1.14 H new ATOM 0 HD23 LEU A 154 11.439 -6.690 5.224 1.00 1.14 H new ATOM 2423 N TYR A 155 11.723 -3.391 1.110 1.00 0.69 N ATOM 2424 CA TYR A 155 10.995 -3.522 -0.150 1.00 0.78 C ATOM 2425 C TYR A 155 10.740 -2.148 -0.763 1.00 0.77 C ATOM 2426 O TYR A 155 9.752 -1.934 -1.462 1.00 1.15 O ATOM 2427 CB TYR A 155 9.669 -4.239 0.114 1.00 0.86 C ATOM 2428 CG TYR A 155 9.154 -5.066 -1.048 1.00 1.40 C ATOM 2429 CD1 TYR A 155 8.337 -4.498 -2.019 1.00 2.24 C ATOM 2430 CD2 TYR A 155 9.492 -6.408 -1.183 1.00 1.83 C ATOM 2431 CE1 TYR A 155 7.873 -5.243 -3.087 1.00 3.16 C ATOM 2432 CE2 TYR A 155 9.030 -7.159 -2.247 1.00 2.65 C ATOM 2433 CZ TYR A 155 8.197 -6.598 -3.168 1.00 3.24 C ATOM 2434 OH TYR A 155 7.761 -7.319 -4.262 1.00 4.24 O ATOM 0 H TYR A 155 11.240 -2.831 1.813 1.00 0.69 H new ATOM 0 HA TYR A 155 11.591 -4.102 -0.855 1.00 0.78 H new ATOM 0 HB2 TYR A 155 9.789 -4.890 0.980 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.916 -3.496 0.376 1.00 0.86 H new ATOM 0 HD1 TYR A 155 8.060 -3.457 -1.938 1.00 2.24 H new ATOM 0 HD2 TYR A 155 10.127 -6.872 -0.443 1.00 1.83 H new ATOM 0 HE1 TYR A 155 7.266 -4.781 -3.851 1.00 3.16 H new ATOM 0 HE2 TYR A 155 9.329 -8.192 -2.349 1.00 2.65 H new ATOM 0 HH TYR A 155 8.063 -8.248 -4.183 1.00 4.24 H new ATOM 2444 N GLY A 156 11.644 -1.224 -0.484 1.00 0.66 N ATOM 2445 CA GLY A 156 11.532 0.130 -0.991 1.00 0.64 C ATOM 2446 C GLY A 156 11.491 0.223 -2.494 1.00 0.78 C ATOM 2447 O GLY A 156 11.808 -0.730 -3.213 1.00 1.10 O ATOM 0 H GLY A 156 12.468 -1.390 0.094 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.629 0.585 -0.585 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.376 0.715 -0.624 1.00 0.64 H new ATOM 2451 N ASN A 157 11.106 1.396 -2.943 1.00 0.70 N ATOM 2452 CA ASN A 157 10.971 1.716 -4.345 1.00 0.80 C ATOM 2453 C ASN A 157 12.278 1.467 -5.092 1.00 1.14 C ATOM 2454 O ASN A 157 13.261 2.187 -4.906 1.00 1.29 O ATOM 2455 CB ASN A 157 10.564 3.178 -4.433 1.00 0.70 C ATOM 2456 CG ASN A 157 10.310 3.662 -5.843 1.00 0.77 C ATOM 2457 OD1 ASN A 157 11.220 4.125 -6.529 1.00 0.88 O ATOM 2458 ND2 ASN A 157 9.067 3.575 -6.284 1.00 0.76 N ATOM 0 H ASN A 157 10.872 2.174 -2.326 1.00 0.70 H new ATOM 0 HA ASN A 157 10.219 1.080 -4.812 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.662 3.330 -3.840 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.347 3.790 -3.985 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.835 3.898 -7.223 1.00 0.76 H new ATOM 0 HD22 ASN A 157 8.339 3.185 -5.685 1.00 0.76 H new ATOM 2465 N ASN A 158 12.287 0.444 -5.936 1.00 1.40 N ATOM 2466 CA ASN A 158 13.494 0.029 -6.608 1.00 1.79 C ATOM 2467 C ASN A 158 13.748 0.903 -7.831 1.00 1.93 C ATOM 2468 O ASN A 158 14.853 0.929 -8.364 1.00 2.18 O ATOM 2469 CB ASN A 158 13.375 -1.434 -7.004 1.00 2.11 C ATOM 2470 CG ASN A 158 14.696 -2.049 -7.382 1.00 2.55 C ATOM 2471 OD1 ASN A 158 14.979 -2.063 -8.664 1.00 2.99 O flip ATOM 2472 ND2 ASN A 158 15.447 -2.525 -6.530 1.00 2.94 N flip ATOM 0 H ASN A 158 11.463 -0.111 -6.167 1.00 1.40 H new ATOM 0 HA ASN A 158 14.341 0.144 -5.932 1.00 1.79 H new ATOM 0 HB2 ASN A 158 12.943 -1.995 -6.176 1.00 2.11 H new ATOM 0 HB3 ASN A 158 12.685 -1.523 -7.843 1.00 2.11 H new ATOM 0 HD21 ASN A 158 15.186 -2.492 -5.544 1.00 2.94 H new ATOM 0 HD22 ASN A 158 16.330 -2.952 -6.810 1.00 2.94 H new ATOM 2479 N ALA A 159 12.723 1.620 -8.271 1.00 1.86 N ATOM 2480 CA ALA A 159 12.889 2.605 -9.333 1.00 2.10 C ATOM 2481 C ALA A 159 13.911 3.652 -8.906 1.00 2.25 C ATOM 2482 O ALA A 159 14.885 3.916 -9.613 1.00 2.52 O ATOM 2483 CB ALA A 159 11.556 3.256 -9.672 1.00 2.14 C ATOM 0 H ALA A 159 11.772 1.539 -7.912 1.00 1.86 H new ATOM 0 HA ALA A 159 13.253 2.104 -10.230 1.00 2.10 H new ATOM 0 HB1 ALA A 159 11.700 3.988 -10.467 1.00 2.14 H new ATOM 0 HB2 ALA A 159 10.853 2.493 -10.005 1.00 2.14 H new ATOM 0 HB3 ALA A 159 11.159 3.754 -8.787 1.00 2.14 H new ATOM 2489 N ALA A 160 13.696 4.216 -7.721 1.00 2.17 N ATOM 2490 CA ALA A 160 14.639 5.156 -7.133 1.00 2.44 C ATOM 2491 C ALA A 160 15.936 4.446 -6.775 1.00 2.55 C ATOM 2492 O ALA A 160 17.017 5.036 -6.838 1.00 2.87 O ATOM 2493 CB ALA A 160 14.040 5.809 -5.901 1.00 2.45 C ATOM 0 H ALA A 160 12.872 4.036 -7.148 1.00 2.17 H new ATOM 0 HA ALA A 160 14.856 5.933 -7.866 1.00 2.44 H new ATOM 0 HB1 ALA A 160 14.759 6.509 -5.474 1.00 2.45 H new ATOM 0 HB2 ALA A 160 13.132 6.345 -6.178 1.00 2.45 H new ATOM 0 HB3 ALA A 160 13.798 5.043 -5.164 1.00 2.45 H new ATOM 2499 N ALA A 161 15.814 3.175 -6.401 1.00 2.37 N ATOM 2500 CA ALA A 161 16.971 2.341 -6.108 1.00 2.60 C ATOM 2501 C ALA A 161 17.906 2.282 -7.313 1.00 2.85 C ATOM 2502 O ALA A 161 19.095 2.562 -7.200 1.00 3.20 O ATOM 2503 CB ALA A 161 16.528 0.939 -5.704 1.00 2.50 C ATOM 0 H ALA A 161 14.918 2.700 -6.294 1.00 2.37 H new ATOM 0 HA ALA A 161 17.514 2.784 -5.273 1.00 2.60 H new ATOM 0 HB1 ALA A 161 17.405 0.328 -5.488 1.00 2.50 H new ATOM 0 HB2 ALA A 161 15.899 0.998 -4.815 1.00 2.50 H new ATOM 0 HB3 ALA A 161 15.963 0.487 -6.519 1.00 2.50 H new ATOM 2509 N GLU A 162 17.351 1.944 -8.471 1.00 2.76 N ATOM 2510 CA GLU A 162 18.125 1.873 -9.705 1.00 3.08 C ATOM 2511 C GLU A 162 18.583 3.261 -10.135 1.00 3.31 C ATOM 2512 O GLU A 162 19.648 3.415 -10.735 1.00 3.67 O ATOM 2513 CB GLU A 162 17.299 1.233 -10.818 1.00 3.06 C ATOM 2514 CG GLU A 162 16.825 -0.172 -10.497 1.00 3.25 C ATOM 2515 CD GLU A 162 16.094 -0.810 -11.655 1.00 3.48 C ATOM 2516 OE1 GLU A 162 14.863 -0.627 -11.757 1.00 3.72 O ATOM 2517 OE2 GLU A 162 16.740 -1.502 -12.466 1.00 3.71 O ATOM 0 H GLU A 162 16.363 1.714 -8.581 1.00 2.76 H new ATOM 0 HA GLU A 162 19.004 1.257 -9.517 1.00 3.08 H new ATOM 0 HB2 GLU A 162 16.432 1.861 -11.022 1.00 3.06 H new ATOM 0 HB3 GLU A 162 17.895 1.206 -11.730 1.00 3.06 H new ATOM 0 HG2 GLU A 162 17.682 -0.789 -10.227 1.00 3.25 H new ATOM 0 HG3 GLU A 162 16.168 -0.141 -9.628 1.00 3.25 H new ATOM 2524 N SER A 163 17.774 4.266 -9.820 1.00 3.19 N ATOM 2525 CA SER A 163 18.099 5.647 -10.142 1.00 3.52 C ATOM 2526 C SER A 163 19.430 6.049 -9.507 1.00 3.81 C ATOM 2527 O SER A 163 20.293 6.620 -10.172 1.00 4.18 O ATOM 2528 CB SER A 163 16.975 6.582 -9.675 1.00 3.44 C ATOM 2529 OG SER A 163 17.240 7.929 -10.026 1.00 3.87 O ATOM 0 H SER A 163 16.883 4.147 -9.339 1.00 3.19 H new ATOM 0 HA SER A 163 18.197 5.736 -11.224 1.00 3.52 H new ATOM 0 HB2 SER A 163 16.031 6.268 -10.120 1.00 3.44 H new ATOM 0 HB3 SER A 163 16.860 6.503 -8.594 1.00 3.44 H new ATOM 0 HG SER A 163 16.505 8.498 -9.716 1.00 3.87 H new ATOM 2535 N ARG A 164 19.610 5.719 -8.232 1.00 3.70 N ATOM 2536 CA ARG A 164 20.843 6.062 -7.529 1.00 4.07 C ATOM 2537 C ARG A 164 21.905 4.992 -7.718 1.00 4.24 C ATOM 2538 O ARG A 164 23.087 5.223 -7.466 1.00 4.61 O ATOM 2539 CB ARG A 164 20.574 6.280 -6.043 1.00 4.05 C ATOM 2540 CG ARG A 164 19.817 7.561 -5.765 1.00 4.12 C ATOM 2541 CD ARG A 164 20.659 8.790 -6.074 1.00 4.41 C ATOM 2542 NE ARG A 164 19.915 10.029 -5.844 1.00 4.73 N ATOM 2543 CZ ARG A 164 20.331 11.235 -6.230 1.00 5.32 C ATOM 2544 NH1 ARG A 164 21.510 11.380 -6.824 1.00 5.65 N ATOM 2545 NH2 ARG A 164 19.565 12.295 -6.011 1.00 5.82 N ATOM 0 H ARG A 164 18.924 5.218 -7.667 1.00 3.70 H new ATOM 0 HA ARG A 164 21.218 6.991 -7.958 1.00 4.07 H new ATOM 0 HB2 ARG A 164 20.005 5.436 -5.654 1.00 4.05 H new ATOM 0 HB3 ARG A 164 21.522 6.300 -5.506 1.00 4.05 H new ATOM 0 HG2 ARG A 164 18.907 7.583 -6.364 1.00 4.12 H new ATOM 0 HG3 ARG A 164 19.511 7.583 -4.719 1.00 4.12 H new ATOM 0 HD2 ARG A 164 21.555 8.783 -5.453 1.00 4.41 H new ATOM 0 HD3 ARG A 164 20.991 8.752 -7.112 1.00 4.41 H new ATOM 0 HE ARG A 164 19.021 9.966 -5.357 1.00 4.73 H new ATOM 0 HH11 ARG A 164 22.102 10.566 -6.987 1.00 5.65 H new ATOM 0 HH12 ARG A 164 21.823 12.305 -7.117 1.00 5.65 H new ATOM 0 HH21 ARG A 164 18.662 12.185 -5.549 1.00 5.82 H new ATOM 0 HH22 ARG A 164 19.879 13.220 -6.304 1.00 5.82 H new ATOM 2559 N LYS A 165 21.474 3.825 -8.170 1.00 4.03 N ATOM 2560 CA LYS A 165 22.376 2.702 -8.399 1.00 4.26 C ATOM 2561 C LYS A 165 23.325 3.003 -9.551 1.00 4.49 C ATOM 2562 O LYS A 165 24.453 2.515 -9.579 1.00 4.77 O ATOM 2563 CB LYS A 165 21.578 1.434 -8.709 1.00 4.10 C ATOM 2564 CG LYS A 165 22.436 0.185 -8.845 1.00 4.47 C ATOM 2565 CD LYS A 165 21.635 -0.990 -9.376 1.00 4.47 C ATOM 2566 CE LYS A 165 20.457 -1.324 -8.476 1.00 4.43 C ATOM 2567 NZ LYS A 165 19.718 -2.522 -8.952 1.00 4.72 N ATOM 0 H LYS A 165 20.497 3.628 -8.388 1.00 4.03 H new ATOM 0 HA LYS A 165 22.960 2.545 -7.492 1.00 4.26 H new ATOM 0 HB2 LYS A 165 20.845 1.275 -7.918 1.00 4.10 H new ATOM 0 HB3 LYS A 165 21.022 1.583 -9.634 1.00 4.10 H new ATOM 0 HG2 LYS A 165 23.272 0.388 -9.515 1.00 4.47 H new ATOM 0 HG3 LYS A 165 22.861 -0.073 -7.875 1.00 4.47 H new ATOM 0 HD2 LYS A 165 21.273 -0.760 -10.378 1.00 4.47 H new ATOM 0 HD3 LYS A 165 22.284 -1.862 -9.464 1.00 4.47 H new ATOM 0 HE2 LYS A 165 20.814 -1.497 -7.461 1.00 4.43 H new ATOM 0 HE3 LYS A 165 19.779 -0.472 -8.435 1.00 4.43 H new ATOM 0 HZ1 LYS A 165 18.922 -2.716 -8.311 1.00 4.72 H new ATOM 0 HZ2 LYS A 165 19.356 -2.348 -9.911 1.00 4.72 H new ATOM 0 HZ3 LYS A 165 20.358 -3.341 -8.967 1.00 4.72 H new ATOM 2581 N GLY A 166 22.856 3.816 -10.493 1.00 4.45 N ATOM 2582 CA GLY A 166 23.656 4.160 -11.652 1.00 4.72 C ATOM 2583 C GLY A 166 24.998 4.756 -11.275 1.00 4.91 C ATOM 2584 O GLY A 166 26.046 4.240 -11.662 1.00 5.10 O ATOM 0 H GLY A 166 21.930 4.244 -10.472 1.00 4.45 H new ATOM 0 HA2 GLY A 166 23.816 3.268 -12.257 1.00 4.72 H new ATOM 0 HA3 GLY A 166 23.107 4.870 -12.270 1.00 4.72 H new ATOM 2588 N GLN A 167 24.972 5.834 -10.505 1.00 4.92 N ATOM 2589 CA GLN A 167 26.203 6.472 -10.059 1.00 5.16 C ATOM 2590 C GLN A 167 26.861 5.670 -8.948 1.00 5.19 C ATOM 2591 O GLN A 167 28.072 5.751 -8.741 1.00 5.45 O ATOM 2592 CB GLN A 167 25.931 7.900 -9.588 1.00 5.30 C ATOM 2593 CG GLN A 167 24.934 7.983 -8.443 1.00 5.16 C ATOM 2594 CD GLN A 167 24.686 9.400 -7.969 1.00 5.42 C ATOM 2595 OE1 GLN A 167 23.596 9.728 -7.500 1.00 5.60 O ATOM 2596 NE2 GLN A 167 25.693 10.253 -8.086 1.00 5.72 N ATOM 0 H GLN A 167 24.117 6.284 -10.177 1.00 4.92 H new ATOM 0 HA GLN A 167 26.886 6.508 -10.907 1.00 5.16 H new ATOM 0 HB2 GLN A 167 26.870 8.356 -9.275 1.00 5.30 H new ATOM 0 HB3 GLN A 167 25.557 8.486 -10.428 1.00 5.30 H new ATOM 0 HG2 GLN A 167 23.989 7.542 -8.760 1.00 5.16 H new ATOM 0 HG3 GLN A 167 25.300 7.386 -7.607 1.00 5.16 H new ATOM 0 HE21 GLN A 167 26.581 9.943 -8.480 1.00 5.72 H new ATOM 0 HE22 GLN A 167 25.580 11.220 -7.782 1.00 5.72 H new ATOM 2605 N GLU A 168 26.065 4.878 -8.244 1.00 5.02 N ATOM 2606 CA GLU A 168 26.586 4.053 -7.170 1.00 5.17 C ATOM 2607 C GLU A 168 27.382 2.891 -7.748 1.00 5.30 C ATOM 2608 O GLU A 168 28.121 2.211 -7.035 1.00 5.55 O ATOM 2609 CB GLU A 168 25.454 3.531 -6.289 1.00 5.10 C ATOM 2610 CG GLU A 168 25.902 3.194 -4.879 1.00 5.39 C ATOM 2611 CD GLU A 168 26.385 4.420 -4.133 1.00 5.63 C ATOM 2612 OE1 GLU A 168 27.540 4.851 -4.359 1.00 5.88 O ATOM 2613 OE2 GLU A 168 25.608 4.977 -3.332 1.00 5.81 O ATOM 0 H GLU A 168 25.060 4.791 -8.398 1.00 5.02 H new ATOM 0 HA GLU A 168 27.244 4.664 -6.552 1.00 5.17 H new ATOM 0 HB2 GLU A 168 24.663 4.280 -6.243 1.00 5.10 H new ATOM 0 HB3 GLU A 168 25.024 2.641 -6.749 1.00 5.10 H new ATOM 0 HG2 GLU A 168 25.075 2.740 -4.334 1.00 5.39 H new ATOM 0 HG3 GLU A 168 26.702 2.455 -4.919 1.00 5.39 H new ATOM 2620 N ARG A 169 27.251 2.689 -9.054 1.00 5.23 N ATOM 2621 CA ARG A 169 27.971 1.624 -9.735 1.00 5.45 C ATOM 2622 C ARG A 169 29.440 2.010 -9.830 1.00 5.78 C ATOM 2623 O ARG A 169 30.334 1.162 -9.795 1.00 6.09 O ATOM 2624 CB ARG A 169 27.365 1.380 -11.127 1.00 5.37 C ATOM 2625 CG ARG A 169 27.816 0.087 -11.797 1.00 5.66 C ATOM 2626 CD ARG A 169 29.218 0.198 -12.370 1.00 6.08 C ATOM 2627 NE ARG A 169 29.705 -1.070 -12.900 1.00 6.39 N ATOM 2628 CZ ARG A 169 30.898 -1.582 -12.608 1.00 6.90 C ATOM 2629 NH1 ARG A 169 31.682 -0.979 -11.721 1.00 7.13 N ATOM 2630 NH2 ARG A 169 31.295 -2.708 -13.183 1.00 7.34 N ATOM 0 H ARG A 169 26.653 3.250 -9.661 1.00 5.23 H new ATOM 0 HA ARG A 169 27.885 0.694 -9.173 1.00 5.45 H new ATOM 0 HB2 ARG A 169 26.279 1.369 -11.039 1.00 5.37 H new ATOM 0 HB3 ARG A 169 27.624 2.218 -11.774 1.00 5.37 H new ATOM 0 HG2 ARG A 169 27.785 -0.726 -11.072 1.00 5.66 H new ATOM 0 HG3 ARG A 169 27.119 -0.170 -12.594 1.00 5.66 H new ATOM 0 HD2 ARG A 169 29.225 0.946 -13.162 1.00 6.08 H new ATOM 0 HD3 ARG A 169 29.898 0.549 -11.594 1.00 6.08 H new ATOM 0 HE ARG A 169 29.097 -1.594 -13.530 1.00 6.39 H new ATOM 0 HH11 ARG A 169 31.370 -0.123 -11.263 1.00 7.13 H new ATOM 0 HH12 ARG A 169 32.596 -1.372 -11.498 1.00 7.13 H new ATOM 0 HH21 ARG A 169 30.686 -3.182 -13.850 1.00 7.34 H new ATOM 0 HH22 ARG A 169 32.210 -3.100 -12.959 1.00 7.34 H new ATOM 2644 N LEU A 170 29.677 3.307 -9.931 1.00 5.79 N ATOM 2645 CA LEU A 170 31.027 3.838 -9.960 1.00 6.19 C ATOM 2646 C LEU A 170 31.540 4.018 -8.541 1.00 6.32 C ATOM 2647 O LEU A 170 32.737 4.218 -8.326 1.00 6.79 O ATOM 2648 CB LEU A 170 31.076 5.168 -10.707 1.00 6.33 C ATOM 2649 CG LEU A 170 30.879 5.096 -12.228 1.00 6.61 C ATOM 2650 CD1 LEU A 170 31.831 4.081 -12.841 1.00 6.97 C ATOM 2651 CD2 LEU A 170 29.436 4.770 -12.587 1.00 6.43 C ATOM 0 H LEU A 170 28.946 4.015 -9.995 1.00 5.79 H new ATOM 0 HA LEU A 170 31.664 3.129 -10.488 1.00 6.19 H new ATOM 0 HB2 LEU A 170 30.310 5.823 -10.292 1.00 6.33 H new ATOM 0 HB3 LEU A 170 32.039 5.638 -10.508 1.00 6.33 H new ATOM 0 HG LEU A 170 31.107 6.078 -12.642 1.00 6.61 H new ATOM 0 HD11 LEU A 170 31.677 4.043 -13.919 1.00 6.97 H new ATOM 0 HD12 LEU A 170 32.860 4.374 -12.631 1.00 6.97 H new ATOM 0 HD13 LEU A 170 31.639 3.097 -12.413 1.00 6.97 H new ATOM 0 HD21 LEU A 170 29.332 4.727 -13.671 1.00 6.43 H new ATOM 0 HD22 LEU A 170 29.163 3.806 -12.157 1.00 6.43 H new ATOM 0 HD23 LEU A 170 28.779 5.543 -12.190 1.00 6.43 H new ATOM 2663 N GLU A 171 30.611 3.919 -7.585 1.00 6.03 N ATOM 2664 CA GLU A 171 30.895 4.120 -6.167 1.00 6.27 C ATOM 2665 C GLU A 171 31.294 5.566 -5.895 1.00 6.70 C ATOM 2666 O GLU A 171 32.407 5.984 -6.212 1.00 6.90 O ATOM 2667 CB GLU A 171 31.991 3.171 -5.680 1.00 6.34 C ATOM 2668 CG GLU A 171 31.590 1.708 -5.696 1.00 6.31 C ATOM 2669 CD GLU A 171 32.691 0.810 -5.180 1.00 6.67 C ATOM 2670 OE1 GLU A 171 32.930 0.794 -3.957 1.00 6.97 O ATOM 2671 OE2 GLU A 171 33.316 0.099 -5.998 1.00 6.91 O ATOM 0 H GLU A 171 29.635 3.695 -7.778 1.00 6.03 H new ATOM 0 HA GLU A 171 29.982 3.898 -5.614 1.00 6.27 H new ATOM 0 HB2 GLU A 171 32.875 3.302 -6.304 1.00 6.34 H new ATOM 0 HB3 GLU A 171 32.274 3.449 -4.665 1.00 6.34 H new ATOM 0 HG2 GLU A 171 30.696 1.571 -5.087 1.00 6.31 H new ATOM 0 HG3 GLU A 171 31.331 1.415 -6.713 1.00 6.31 H new ATOM 2678 N HIS A 172 30.383 6.333 -5.313 1.00 7.18 N ATOM 2679 CA HIS A 172 30.657 7.738 -5.056 1.00 7.91 C ATOM 2680 C HIS A 172 31.467 7.904 -3.770 1.00 8.34 C ATOM 2681 O HIS A 172 32.376 8.733 -3.711 1.00 8.55 O ATOM 2682 CB HIS A 172 29.357 8.570 -5.025 1.00 8.43 C ATOM 2683 CG HIS A 172 28.511 8.435 -3.785 1.00 8.65 C ATOM 2684 ND1 HIS A 172 27.682 7.362 -3.538 1.00 8.91 N ATOM 2685 CD2 HIS A 172 28.340 9.280 -2.740 1.00 8.94 C ATOM 2686 CE1 HIS A 172 27.041 7.557 -2.401 1.00 9.32 C ATOM 2687 NE2 HIS A 172 27.421 8.712 -1.895 1.00 9.35 N ATOM 0 H HIS A 172 29.462 6.012 -5.014 1.00 7.18 H new ATOM 0 HA HIS A 172 31.259 8.121 -5.880 1.00 7.91 H new ATOM 0 HB2 HIS A 172 29.619 9.621 -5.148 1.00 8.43 H new ATOM 0 HB3 HIS A 172 28.750 8.290 -5.886 1.00 8.43 H new ATOM 0 HD1 HIS A 172 27.580 6.545 -4.140 1.00 8.91 H new ATOM 0 HD2 HIS A 172 28.837 10.228 -2.598 1.00 8.94 H new ATOM 0 HE1 HIS A 172 26.324 6.881 -1.959 1.00 9.32 H new ATOM 2696 N HIS A 173 31.153 7.086 -2.758 1.00 8.71 N ATOM 2697 CA HIS A 173 31.834 7.144 -1.459 1.00 9.35 C ATOM 2698 C HIS A 173 31.920 8.578 -0.935 1.00 9.73 C ATOM 2699 O HIS A 173 31.121 9.439 -1.317 1.00 10.12 O ATOM 2700 CB HIS A 173 33.243 6.539 -1.559 1.00 9.85 C ATOM 2701 CG HIS A 173 33.258 5.050 -1.731 1.00 10.34 C ATOM 2702 ND1 HIS A 173 33.161 4.172 -0.677 1.00 10.84 N ATOM 2703 CD2 HIS A 173 33.357 4.287 -2.842 1.00 10.66 C ATOM 2704 CE1 HIS A 173 33.201 2.935 -1.130 1.00 11.40 C ATOM 2705 NE2 HIS A 173 33.318 2.975 -2.441 1.00 11.31 N ATOM 0 H HIS A 173 30.427 6.372 -2.815 1.00 8.71 H new ATOM 0 HA HIS A 173 31.243 6.559 -0.754 1.00 9.35 H new ATOM 0 HB2 HIS A 173 33.765 6.997 -2.400 1.00 9.85 H new ATOM 0 HB3 HIS A 173 33.802 6.796 -0.659 1.00 9.85 H new ATOM 0 HD2 HIS A 173 33.450 4.644 -3.857 1.00 10.66 H new ATOM 0 HE1 HIS A 173 33.147 2.040 -0.528 1.00 11.40 H new ATOM 0 HE2 HIS A 173 33.371 2.164 -3.057 1.00 11.31 H new ATOM 2714 N HIS A 174 32.879 8.818 -0.038 1.00 9.86 N ATOM 2715 CA HIS A 174 33.172 10.162 0.466 1.00 10.40 C ATOM 2716 C HIS A 174 31.993 10.725 1.251 1.00 11.06 C ATOM 2717 O HIS A 174 31.881 11.938 1.437 1.00 11.27 O ATOM 2718 CB HIS A 174 33.528 11.110 -0.688 1.00 10.58 C ATOM 2719 CG HIS A 174 34.722 10.676 -1.480 1.00 10.83 C ATOM 2720 ND1 HIS A 174 34.628 10.043 -2.699 1.00 11.12 N ATOM 2721 CD2 HIS A 174 36.046 10.790 -1.220 1.00 11.10 C ATOM 2722 CE1 HIS A 174 35.839 9.783 -3.152 1.00 11.52 C ATOM 2723 NE2 HIS A 174 36.718 10.226 -2.275 1.00 11.52 N ATOM 0 H HIS A 174 33.472 8.089 0.358 1.00 9.86 H new ATOM 0 HA HIS A 174 34.028 10.082 1.136 1.00 10.40 H new ATOM 0 HB2 HIS A 174 32.671 11.192 -1.356 1.00 10.58 H new ATOM 0 HB3 HIS A 174 33.714 12.105 -0.284 1.00 10.58 H new ATOM 0 HD1 HIS A 174 33.757 9.811 -3.177 1.00 11.12 H new ATOM 0 HD2 HIS A 174 36.490 11.241 -0.345 1.00 11.10 H new ATOM 0 HE1 HIS A 174 36.071 9.290 -4.084 1.00 11.52 H new ATOM 2732 N HIS A 175 31.133 9.840 1.729 1.00 11.59 N ATOM 2733 CA HIS A 175 29.937 10.248 2.442 1.00 12.41 C ATOM 2734 C HIS A 175 29.990 9.784 3.893 1.00 12.84 C ATOM 2735 O HIS A 175 29.813 8.599 4.186 1.00 13.21 O ATOM 2736 CB HIS A 175 28.695 9.684 1.745 1.00 12.99 C ATOM 2737 CG HIS A 175 27.399 10.160 2.326 1.00 13.51 C ATOM 2738 ND1 HIS A 175 26.426 9.304 2.795 1.00 13.89 N ATOM 2739 CD2 HIS A 175 26.907 11.411 2.488 1.00 13.89 C ATOM 2740 CE1 HIS A 175 25.392 10.008 3.217 1.00 14.46 C ATOM 2741 NE2 HIS A 175 25.660 11.286 3.043 1.00 14.48 N ATOM 0 H HIS A 175 31.243 8.830 1.635 1.00 11.59 H new ATOM 0 HA HIS A 175 29.882 11.337 2.436 1.00 12.41 H new ATOM 0 HB2 HIS A 175 28.729 9.955 0.690 1.00 12.99 H new ATOM 0 HB3 HIS A 175 28.726 8.596 1.796 1.00 12.99 H new ATOM 0 HD2 HIS A 175 27.404 12.334 2.229 1.00 13.89 H new ATOM 0 HE1 HIS A 175 24.481 9.605 3.634 1.00 14.46 H new ATOM 0 HE2 HIS A 175 25.039 12.059 3.283 1.00 14.48 H new ATOM 2750 N HIS A 176 30.246 10.720 4.793 1.00 12.98 N ATOM 2751 CA HIS A 176 30.279 10.424 6.219 1.00 13.55 C ATOM 2752 C HIS A 176 29.033 10.994 6.885 1.00 13.90 C ATOM 2753 O HIS A 176 28.422 11.927 6.364 1.00 14.09 O ATOM 2754 CB HIS A 176 31.552 10.992 6.874 1.00 13.99 C ATOM 2755 CG HIS A 176 31.619 12.496 6.930 1.00 14.45 C ATOM 2756 ND1 HIS A 176 32.201 13.267 5.944 1.00 14.88 N ATOM 2757 CD2 HIS A 176 31.186 13.367 7.873 1.00 14.71 C ATOM 2758 CE1 HIS A 176 32.123 14.540 6.280 1.00 15.37 C ATOM 2759 NE2 HIS A 176 31.512 14.626 7.443 1.00 15.28 N ATOM 0 H HIS A 176 30.435 11.695 4.561 1.00 12.98 H new ATOM 0 HA HIS A 176 30.295 9.342 6.352 1.00 13.55 H new ATOM 0 HB2 HIS A 176 31.626 10.601 7.889 1.00 13.99 H new ATOM 0 HB3 HIS A 176 32.420 10.624 6.327 1.00 13.99 H new ATOM 0 HD2 HIS A 176 30.678 13.116 8.792 1.00 14.71 H new ATOM 0 HE1 HIS A 176 32.497 15.371 5.700 1.00 15.37 H new ATOM 0 HE2 HIS A 176 31.313 15.492 7.944 1.00 15.28 H new ATOM 2768 N HIS A 177 28.660 10.447 8.030 1.00 14.14 N ATOM 2769 CA HIS A 177 27.458 10.890 8.716 1.00 14.65 C ATOM 2770 C HIS A 177 27.735 11.187 10.181 1.00 15.60 C ATOM 2771 O HIS A 177 28.324 10.377 10.897 1.00 16.02 O ATOM 2772 CB HIS A 177 26.327 9.855 8.579 1.00 14.60 C ATOM 2773 CG HIS A 177 26.621 8.502 9.169 1.00 14.47 C ATOM 2774 ND1 HIS A 177 27.263 7.502 8.475 1.00 14.51 N ATOM 2775 CD2 HIS A 177 26.339 7.986 10.389 1.00 14.51 C ATOM 2776 CE1 HIS A 177 27.363 6.432 9.239 1.00 14.56 C ATOM 2777 NE2 HIS A 177 26.809 6.697 10.407 1.00 14.56 N ATOM 0 H HIS A 177 29.169 9.700 8.502 1.00 14.14 H new ATOM 0 HA HIS A 177 27.133 11.815 8.240 1.00 14.65 H new ATOM 0 HB2 HIS A 177 25.431 10.254 9.055 1.00 14.60 H new ATOM 0 HB3 HIS A 177 26.097 9.730 7.521 1.00 14.60 H new ATOM 0 HD2 HIS A 177 25.837 8.495 11.198 1.00 14.51 H new ATOM 0 HE1 HIS A 177 27.821 5.496 8.956 1.00 14.56 H new ATOM 0 HE2 HIS A 177 26.741 6.051 11.193 1.00 14.56 H new ATOM 2786 N LEU A 178 27.336 12.368 10.612 1.00 16.06 N ATOM 2787 CA LEU A 178 27.419 12.736 12.015 1.00 17.08 C ATOM 2788 C LEU A 178 26.023 12.720 12.615 1.00 17.58 C ATOM 2789 O LEU A 178 25.833 12.970 13.806 1.00 17.74 O ATOM 2790 CB LEU A 178 28.049 14.122 12.177 1.00 17.47 C ATOM 2791 CG LEU A 178 29.451 14.278 11.578 1.00 17.56 C ATOM 2792 CD1 LEU A 178 29.989 15.675 11.838 1.00 17.99 C ATOM 2793 CD2 LEU A 178 30.397 13.228 12.142 1.00 17.68 C ATOM 0 H LEU A 178 26.949 13.093 10.008 1.00 16.06 H new ATOM 0 HA LEU A 178 28.051 12.017 12.536 1.00 17.08 H new ATOM 0 HB2 LEU A 178 27.391 14.858 11.716 1.00 17.47 H new ATOM 0 HB3 LEU A 178 28.097 14.359 13.240 1.00 17.47 H new ATOM 0 HG LEU A 178 29.381 14.131 10.500 1.00 17.56 H new ATOM 0 HD11 LEU A 178 30.985 15.768 11.406 1.00 17.99 H new ATOM 0 HD12 LEU A 178 29.326 16.411 11.383 1.00 17.99 H new ATOM 0 HD13 LEU A 178 30.042 15.850 12.912 1.00 17.99 H new ATOM 0 HD21 LEU A 178 31.387 13.357 11.704 1.00 17.68 H new ATOM 0 HD22 LEU A 178 30.462 13.341 13.224 1.00 17.68 H new ATOM 0 HD23 LEU A 178 30.021 12.233 11.903 1.00 17.68 H new ATOM 2805 N GLU A 179 25.049 12.415 11.767 1.00 17.95 N ATOM 2806 CA GLU A 179 23.656 12.359 12.172 1.00 18.57 C ATOM 2807 C GLU A 179 23.340 11.008 12.796 1.00 19.13 C ATOM 2808 O GLU A 179 23.944 9.996 12.439 1.00 19.11 O ATOM 2809 CB GLU A 179 22.747 12.595 10.967 1.00 18.91 C ATOM 2810 CG GLU A 179 23.058 13.876 10.212 1.00 18.77 C ATOM 2811 CD GLU A 179 22.160 14.074 9.012 1.00 18.94 C ATOM 2812 OE1 GLU A 179 22.360 13.379 7.995 1.00 18.93 O ATOM 2813 OE2 GLU A 179 21.247 14.923 9.079 1.00 19.19 O ATOM 0 H GLU A 179 25.205 12.200 10.782 1.00 17.95 H new ATOM 0 HA GLU A 179 23.480 13.140 12.911 1.00 18.57 H new ATOM 0 HB2 GLU A 179 22.836 11.750 10.284 1.00 18.91 H new ATOM 0 HB3 GLU A 179 21.711 12.624 11.304 1.00 18.91 H new ATOM 0 HG2 GLU A 179 22.951 14.726 10.886 1.00 18.77 H new ATOM 0 HG3 GLU A 179 24.098 13.858 9.885 1.00 18.77 H new ATOM 2820 N HIS A 180 22.408 10.999 13.734 1.00 19.74 N ATOM 2821 CA HIS A 180 21.992 9.766 14.383 1.00 20.41 C ATOM 2822 C HIS A 180 20.480 9.603 14.324 1.00 20.84 C ATOM 2823 O HIS A 180 19.757 10.180 15.138 1.00 21.13 O ATOM 2824 CB HIS A 180 22.469 9.728 15.838 1.00 21.03 C ATOM 2825 CG HIS A 180 23.945 9.532 15.985 1.00 21.37 C ATOM 2826 ND1 HIS A 180 24.765 10.418 16.648 1.00 21.96 N ATOM 2827 CD2 HIS A 180 24.747 8.530 15.560 1.00 21.34 C ATOM 2828 CE1 HIS A 180 26.004 9.972 16.620 1.00 22.26 C ATOM 2829 NE2 HIS A 180 26.022 8.828 15.967 1.00 21.90 N ATOM 0 H HIS A 180 21.924 11.834 14.064 1.00 19.74 H new ATOM 0 HA HIS A 180 22.451 8.937 13.845 1.00 20.41 H new ATOM 0 HB2 HIS A 180 22.185 10.659 16.328 1.00 21.03 H new ATOM 0 HB3 HIS A 180 21.951 8.923 16.359 1.00 21.03 H new ATOM 0 HD2 HIS A 180 24.440 7.657 15.003 1.00 21.34 H new ATOM 0 HE1 HIS A 180 26.861 10.462 17.059 1.00 22.26 H new ATOM 0 HE2 HIS A 180 26.849 8.257 15.793 1.00 21.90 H new ATOM 2838 N HIS A 181 20.018 8.836 13.337 1.00 20.99 N ATOM 2839 CA HIS A 181 18.594 8.525 13.173 1.00 21.54 C ATOM 2840 C HIS A 181 17.774 9.769 12.834 1.00 22.31 C ATOM 2841 O HIS A 181 18.315 10.856 12.621 1.00 22.51 O ATOM 2842 CB HIS A 181 18.023 7.868 14.437 1.00 21.37 C ATOM 2843 CG HIS A 181 18.492 6.466 14.669 1.00 21.01 C ATOM 2844 ND1 HIS A 181 19.489 6.142 15.559 1.00 20.83 N ATOM 2845 CD2 HIS A 181 18.073 5.296 14.136 1.00 20.92 C ATOM 2846 CE1 HIS A 181 19.665 4.837 15.561 1.00 20.64 C ATOM 2847 NE2 HIS A 181 18.817 4.294 14.707 1.00 20.70 N ATOM 0 H HIS A 181 20.617 8.412 12.629 1.00 20.99 H new ATOM 0 HA HIS A 181 18.521 7.826 12.339 1.00 21.54 H new ATOM 0 HB2 HIS A 181 18.291 8.476 15.301 1.00 21.37 H new ATOM 0 HB3 HIS A 181 16.935 7.869 14.373 1.00 21.37 H new ATOM 0 HD2 HIS A 181 17.296 5.173 13.397 1.00 20.92 H new ATOM 0 HE1 HIS A 181 20.384 4.300 16.162 1.00 20.64 H new ATOM 0 HE2 HIS A 181 18.730 3.298 14.506 1.00 20.70 H new ATOM 2856 N HIS A 182 16.461 9.590 12.773 1.00 22.83 N ATOM 2857 CA HIS A 182 15.544 10.694 12.550 1.00 23.69 C ATOM 2858 C HIS A 182 15.148 11.298 13.890 1.00 24.16 C ATOM 2859 O HIS A 182 14.636 10.602 14.764 1.00 24.40 O ATOM 2860 CB HIS A 182 14.298 10.207 11.795 1.00 24.01 C ATOM 2861 CG HIS A 182 13.298 11.287 11.502 1.00 24.24 C ATOM 2862 ND1 HIS A 182 12.173 11.505 12.270 1.00 24.67 N ATOM 2863 CD2 HIS A 182 13.257 12.208 10.511 1.00 24.22 C ATOM 2864 CE1 HIS A 182 11.485 12.511 11.763 1.00 24.89 C ATOM 2865 NE2 HIS A 182 12.121 12.957 10.696 1.00 24.63 N ATOM 0 H HIS A 182 16.007 8.682 12.876 1.00 22.83 H new ATOM 0 HA HIS A 182 16.036 11.455 11.944 1.00 23.69 H new ATOM 0 HB2 HIS A 182 14.611 9.752 10.855 1.00 24.01 H new ATOM 0 HB3 HIS A 182 13.813 9.427 12.381 1.00 24.01 H new ATOM 0 HD2 HIS A 182 13.983 12.331 9.721 1.00 24.22 H new ATOM 0 HE1 HIS A 182 10.558 12.903 12.155 1.00 24.89 H new ATOM 0 HE2 HIS A 182 11.818 13.731 10.105 1.00 24.63 H new ATOM 2874 N HIS A 183 15.403 12.582 14.057 1.00 24.38 N ATOM 2875 CA HIS A 183 15.070 13.265 15.297 1.00 24.93 C ATOM 2876 C HIS A 183 13.694 13.908 15.203 1.00 25.44 C ATOM 2877 O HIS A 183 13.209 14.202 14.109 1.00 25.58 O ATOM 2878 CB HIS A 183 16.128 14.315 15.635 1.00 25.08 C ATOM 2879 CG HIS A 183 17.450 13.721 16.010 1.00 25.22 C ATOM 2880 ND1 HIS A 183 18.575 13.816 15.223 1.00 25.36 N ATOM 2881 CD2 HIS A 183 17.820 13.018 17.106 1.00 25.35 C ATOM 2882 CE1 HIS A 183 19.576 13.198 15.817 1.00 25.56 C ATOM 2883 NE2 HIS A 183 19.147 12.705 16.960 1.00 25.56 N ATOM 0 H HIS A 183 15.840 13.175 13.351 1.00 24.38 H new ATOM 0 HA HIS A 183 15.050 12.526 16.098 1.00 24.93 H new ATOM 0 HB2 HIS A 183 16.263 14.974 14.777 1.00 25.08 H new ATOM 0 HB3 HIS A 183 15.768 14.932 16.458 1.00 25.08 H new ATOM 0 HD2 HIS A 183 17.188 12.753 17.940 1.00 25.35 H new ATOM 0 HE1 HIS A 183 20.581 13.111 15.431 1.00 25.56 H new ATOM 0 HE2 HIS A 183 19.709 12.177 17.627 1.00 25.56 H new ATOM 2892 N HIS A 184 13.067 14.114 16.351 1.00 25.80 N ATOM 2893 CA HIS A 184 11.728 14.683 16.399 1.00 26.40 C ATOM 2894 C HIS A 184 11.712 15.922 17.285 1.00 26.96 C ATOM 2895 O HIS A 184 12.703 16.232 17.945 1.00 27.37 O ATOM 2896 CB HIS A 184 10.716 13.647 16.918 1.00 26.76 C ATOM 2897 CG HIS A 184 10.901 13.266 18.360 1.00 26.84 C ATOM 2898 ND1 HIS A 184 11.724 12.242 18.771 1.00 26.92 N ATOM 2899 CD2 HIS A 184 10.359 13.781 19.491 1.00 26.96 C ATOM 2900 CE1 HIS A 184 11.681 12.144 20.087 1.00 27.09 C ATOM 2901 NE2 HIS A 184 10.863 13.066 20.546 1.00 27.11 N ATOM 0 H HIS A 184 13.465 13.895 17.264 1.00 25.80 H new ATOM 0 HA HIS A 184 11.441 14.970 15.387 1.00 26.40 H new ATOM 0 HB2 HIS A 184 9.709 14.043 16.786 1.00 26.76 H new ATOM 0 HB3 HIS A 184 10.788 12.748 16.305 1.00 26.76 H new ATOM 0 HD2 HIS A 184 9.660 14.602 19.550 1.00 26.96 H new ATOM 0 HE1 HIS A 184 12.225 11.428 20.685 1.00 27.09 H new ATOM 0 HE2 HIS A 184 10.640 13.223 21.529 1.00 27.11 H new ATOM 2910 N HIS A 185 10.582 16.610 17.311 1.00 27.04 N ATOM 2911 CA HIS A 185 10.432 17.797 18.139 1.00 27.63 C ATOM 2912 C HIS A 185 9.121 17.740 18.915 1.00 27.78 C ATOM 2913 O HIS A 185 8.218 18.558 18.648 1.00 27.59 O ATOM 2914 CB HIS A 185 10.516 19.076 17.288 1.00 28.05 C ATOM 2915 CG HIS A 185 9.666 19.061 16.048 1.00 28.32 C ATOM 2916 ND1 HIS A 185 8.377 19.540 16.010 1.00 28.85 N ATOM 2917 CD2 HIS A 185 9.941 18.631 14.794 1.00 28.21 C ATOM 2918 CE1 HIS A 185 7.896 19.404 14.791 1.00 29.06 C ATOM 2919 NE2 HIS A 185 8.825 18.858 14.030 1.00 28.68 N ATOM 2920 OXT HIS A 185 8.990 16.858 19.783 1.00 28.16 O ATOM 0 H HIS A 185 9.754 16.367 16.768 1.00 27.04 H new ATOM 0 HA HIS A 185 11.253 17.823 18.856 1.00 27.63 H new ATOM 0 HB2 HIS A 185 10.222 19.926 17.904 1.00 28.05 H new ATOM 0 HB3 HIS A 185 11.555 19.236 16.999 1.00 28.05 H new ATOM 0 HD1 HIS A 185 7.872 19.938 16.802 1.00 28.85 H new ATOM 0 HD2 HIS A 185 10.868 18.191 14.458 1.00 28.21 H new ATOM 0 HE1 HIS A 185 6.906 19.692 14.469 1.00 29.06 H new TER 2929 HIS A 185 HETATM 2930 C ACE B1001 -19.323 -15.319 -1.152 1.00 3.23 C HETATM 2931 O ACE B1001 -19.522 -16.164 -2.029 1.00 3.56 O HETATM 2932 CH3 ACE B1001 -20.384 -14.272 -0.872 1.00 4.05 C HETATM 0 H1 ACE B1001 -20.713 -14.355 0.164 1.00 4.05 H new HETATM 0 H2 ACE B1001 -19.969 -13.279 -1.042 1.00 4.05 H new HETATM 0 H3 ACE B1001 -21.234 -14.429 -1.536 1.00 4.05 H new ATOM 2936 N GLY B1002 -18.202 -15.294 -0.446 1.00 2.68 N ATOM 2937 CA GLY B1002 -17.164 -16.278 -0.661 1.00 2.37 C ATOM 2938 C GLY B1002 -15.881 -15.649 -1.162 1.00 2.24 C ATOM 2939 O GLY B1002 -15.890 -14.504 -1.616 1.00 2.97 O ATOM 0 H GLY B1002 -17.993 -14.605 0.276 1.00 2.68 H new ATOM 0 HA2 GLY B1002 -16.968 -16.808 0.271 1.00 2.37 H new ATOM 0 HA3 GLY B1002 -17.510 -17.019 -1.382 1.00 2.37 H new ATOM 2943 N CYS B1003 -14.781 -16.395 -1.070 1.00 1.72 N ATOM 2944 CA CYS B1003 -13.477 -15.930 -1.544 1.00 1.60 C ATOM 2945 C CYS B1003 -13.000 -14.743 -0.732 1.00 1.42 C ATOM 2946 O CYS B1003 -13.165 -14.725 0.484 1.00 1.55 O ATOM 2947 CB CYS B1003 -13.546 -15.530 -3.011 1.00 1.63 C ATOM 2948 SG CYS B1003 -14.389 -16.734 -4.076 1.00 1.94 S ATOM 0 H CYS B1003 -14.767 -17.332 -0.668 1.00 1.72 H new ATOM 0 HA CYS B1003 -12.774 -16.754 -1.426 1.00 1.60 H new ATOM 0 HB2 CYS B1003 -14.059 -14.571 -3.090 1.00 1.63 H new ATOM 0 HB3 CYS B1003 -12.532 -15.381 -3.383 1.00 1.63 H new ATOM 2953 N VAL B1004 -12.392 -13.775 -1.440 1.00 1.37 N ATOM 2954 CA VAL B1004 -11.935 -12.493 -0.904 1.00 1.19 C ATOM 2955 C VAL B1004 -11.281 -12.581 0.466 1.00 1.19 C ATOM 2956 O VAL B1004 -10.060 -12.527 0.529 1.00 1.63 O ATOM 2957 CB VAL B1004 -13.013 -11.416 -0.973 1.00 1.15 C ATOM 2958 CG1 VAL B1004 -13.095 -10.877 -2.383 1.00 1.41 C ATOM 2959 CG2 VAL B1004 -14.329 -11.982 -0.587 1.00 1.42 C ATOM 0 H VAL B1004 -12.201 -13.873 -2.437 1.00 1.37 H new ATOM 0 HA VAL B1004 -11.131 -12.182 -1.571 1.00 1.19 H new ATOM 0 HB VAL B1004 -12.755 -10.612 -0.283 1.00 1.15 H new ATOM 0 HG11 VAL B1004 -13.865 -10.107 -2.434 1.00 1.41 H new ATOM 0 HG12 VAL B1004 -12.134 -10.448 -2.665 1.00 1.41 H new ATOM 0 HG13 VAL B1004 -13.346 -11.687 -3.068 1.00 1.41 H new ATOM 0 HG21 VAL B1004 -15.090 -11.203 -0.640 1.00 1.42 H new ATOM 0 HG22 VAL B1004 -14.591 -12.792 -1.268 1.00 1.42 H new ATOM 0 HG23 VAL B1004 -14.275 -12.367 0.431 1.00 1.42 H new ATOM 2969 N GLY B1005 -12.045 -12.677 1.554 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.434 -13.002 2.811 1.00 1.07 C ATOM 2971 C GLY B1005 -10.421 -14.123 2.631 1.00 1.05 C ATOM 2972 O GLY B1005 -9.226 -13.911 2.795 1.00 1.20 O ATOM 0 H GLY B1005 -13.055 -12.537 1.578 1.00 1.02 H new ATOM 0 HA2 GLY B1005 -10.942 -12.121 3.223 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.198 -13.304 3.527 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.897 -15.287 2.201 1.00 1.08 N ATOM 2977 CA ARG B1006 -10.030 -16.437 1.936 1.00 1.08 C ATOM 2978 C ARG B1006 -9.005 -16.139 0.843 1.00 1.04 C ATOM 2979 O ARG B1006 -7.838 -16.504 0.960 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.869 -17.641 1.506 1.00 1.14 C ATOM 2981 CG ARG B1006 -11.003 -18.718 2.565 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.526 -18.159 3.873 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.969 -19.220 4.777 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.072 -19.099 6.103 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -11.665 -17.999 6.723 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.558 -20.104 6.818 1.00 2.87 N ATOM 0 H ARG B1006 -11.887 -15.463 2.026 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.497 -16.656 2.861 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.865 -17.295 1.228 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -10.423 -18.079 0.613 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.676 -19.497 2.208 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.033 -19.186 2.732 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -10.745 -17.572 4.356 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.356 -17.481 3.673 1.00 1.55 H new ATOM 0 HE ARG B1006 -12.218 -20.119 4.364 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.266 -17.229 6.186 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -11.751 -17.923 7.737 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.851 -20.964 6.355 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -12.639 -20.017 7.831 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.447 -15.469 -0.213 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.619 -15.280 -1.398 1.00 1.05 C ATOM 3002 C ALA B1007 -7.467 -14.310 -1.152 1.00 1.02 C ATOM 3003 O ALA B1007 -6.324 -14.621 -1.467 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.467 -14.818 -2.569 1.00 1.10 C ATOM 0 H ALA B1007 -10.374 -15.047 -0.274 1.00 1.02 H new ATOM 0 HA ALA B1007 -8.176 -16.246 -1.639 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.834 -14.682 -3.446 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -10.229 -15.567 -2.785 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.949 -13.873 -2.319 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.760 -13.148 -0.586 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.727 -12.146 -0.346 1.00 0.83 C ATOM 3012 C LEU B1008 -5.839 -12.566 0.820 1.00 0.78 C ATOM 3013 O LEU B1008 -4.642 -12.288 0.825 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.331 -10.759 -0.087 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.975 -10.064 -1.300 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.151 -10.313 -2.543 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.412 -10.516 -1.521 1.00 1.33 C ATOM 0 H LEU B1008 -8.696 -12.875 -0.286 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.118 -12.077 -1.248 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.085 -10.854 0.695 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.547 -10.111 0.304 1.00 0.90 H new ATOM 0 HG LEU B1008 -7.998 -8.995 -1.090 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.617 -9.816 -3.394 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.146 -9.918 -2.398 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.096 -11.385 -2.734 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.827 -10.000 -2.387 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.432 -11.592 -1.696 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.007 -10.280 -0.639 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.441 -13.221 1.811 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.689 -13.893 2.868 1.00 0.78 C ATOM 3031 C ALA B1009 -4.565 -14.735 2.268 1.00 0.80 C ATOM 3032 O ALA B1009 -3.415 -14.702 2.713 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.587 -14.824 3.645 1.00 0.88 C ATOM 0 H ALA B1009 -7.454 -13.300 1.904 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.282 -13.122 3.523 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -6.010 -15.316 4.428 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.399 -14.254 4.096 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -7.001 -15.575 2.973 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.947 -15.502 1.249 1.00 0.89 N ATOM 3040 CA ALA B1010 -4.075 -16.471 0.604 1.00 0.94 C ATOM 3041 C ALA B1010 -3.125 -15.809 -0.387 1.00 0.92 C ATOM 3042 O ALA B1010 -1.905 -15.919 -0.260 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.928 -17.503 -0.110 1.00 1.03 C ATOM 0 H ALA B1010 -5.883 -15.465 0.846 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.465 -16.947 1.371 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.283 -18.234 -0.597 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.569 -18.008 0.613 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.546 -17.009 -0.859 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.693 -15.121 -1.373 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.907 -14.460 -2.412 1.00 0.93 C ATOM 3051 C PHE B1011 -1.995 -13.394 -1.817 1.00 0.85 C ATOM 3052 O PHE B1011 -1.014 -12.981 -2.439 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.825 -13.824 -3.462 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.353 -14.786 -4.491 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.559 -15.165 -5.560 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.642 -15.296 -4.409 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -4.034 -16.035 -6.520 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.122 -16.160 -5.366 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.318 -16.533 -6.424 1.00 1.46 C ATOM 0 H PHE B1011 -4.701 -15.006 -1.475 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.289 -15.220 -2.890 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.668 -13.356 -2.954 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.279 -13.030 -3.971 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.555 -14.775 -5.644 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.276 -15.011 -3.583 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.402 -16.326 -7.346 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.128 -16.546 -5.289 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.692 -17.213 -7.175 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.320 -12.963 -0.608 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.549 -11.937 0.047 1.00 0.72 C ATOM 3071 C GLY B1012 -0.216 -12.431 0.555 1.00 0.73 C ATOM 3072 O GLY B1012 0.728 -11.653 0.687 1.00 0.78 O ATOM 0 H GLY B1012 -3.112 -13.311 -0.068 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.384 -11.115 -0.649 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -2.124 -11.537 0.882 1.00 0.72 H new ATOM 3076 N ASP B1013 -0.121 -13.725 0.818 1.00 0.78 N ATOM 3077 CA ASP B1013 1.126 -14.308 1.299 1.00 0.86 C ATOM 3078 C ASP B1013 2.122 -14.472 0.146 1.00 0.93 C ATOM 3079 O ASP B1013 3.212 -15.024 0.312 1.00 1.06 O ATOM 3080 CB ASP B1013 0.858 -15.656 1.980 1.00 0.98 C ATOM 3081 CG ASP B1013 2.056 -16.161 2.762 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.495 -15.469 3.706 1.00 1.48 O ATOM 3083 OD2 ASP B1013 2.563 -17.259 2.442 1.00 1.90 O ATOM 0 H ASP B1013 -0.887 -14.390 0.708 1.00 0.78 H new ATOM 0 HA ASP B1013 1.564 -13.633 2.034 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.005 -15.557 2.652 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.585 -16.393 1.225 1.00 0.98 H new ATOM 3088 N CYS B1014 1.749 -13.964 -1.023 1.00 0.93 N ATOM 3089 CA CYS B1014 2.588 -14.075 -2.208 1.00 1.06 C ATOM 3090 C CYS B1014 3.331 -12.768 -2.480 1.00 1.08 C ATOM 3091 O CYS B1014 4.027 -12.643 -3.488 1.00 1.44 O ATOM 3092 CB CYS B1014 1.742 -14.448 -3.423 1.00 1.12 C ATOM 3093 SG CYS B1014 0.671 -15.899 -3.168 1.00 1.34 S ATOM 0 H CYS B1014 0.869 -13.471 -1.175 1.00 0.93 H new ATOM 0 HA CYS B1014 3.323 -14.859 -2.025 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.121 -13.595 -3.695 1.00 1.12 H new ATOM 0 HB3 CYS B1014 2.404 -14.642 -4.267 1.00 1.12 H new ATOM 3098 N ILE B1015 3.188 -11.795 -1.582 1.00 1.14 N ATOM 3099 CA ILE B1015 3.875 -10.517 -1.735 1.00 1.23 C ATOM 3100 C ILE B1015 5.327 -10.646 -1.282 1.00 1.67 C ATOM 3101 O ILE B1015 5.740 -10.103 -0.254 1.00 2.20 O ATOM 3102 CB ILE B1015 3.167 -9.385 -0.959 1.00 1.32 C ATOM 3103 CG1 ILE B1015 1.691 -9.336 -1.364 1.00 2.19 C ATOM 3104 CG2 ILE B1015 3.839 -8.040 -1.238 1.00 1.41 C ATOM 3105 CD1 ILE B1015 0.876 -8.328 -0.589 1.00 2.91 C ATOM 0 H ILE B1015 2.607 -11.867 -0.747 1.00 1.14 H new ATOM 0 HA ILE B1015 3.849 -10.251 -2.792 1.00 1.23 H new ATOM 0 HB ILE B1015 3.241 -9.586 0.110 1.00 1.32 H new ATOM 0 HG12 ILE B1015 1.624 -9.103 -2.427 1.00 2.19 H new ATOM 0 HG13 ILE B1015 1.254 -10.325 -1.226 1.00 2.19 H new ATOM 0 HG21 ILE B1015 3.326 -7.255 -0.682 1.00 1.41 H new ATOM 0 HG22 ILE B1015 4.882 -8.083 -0.926 1.00 1.41 H new ATOM 0 HG23 ILE B1015 3.788 -7.822 -2.305 1.00 1.41 H new ATOM 0 HD11 ILE B1015 -0.158 -8.354 -0.934 1.00 2.91 H new ATOM 0 HD12 ILE B1015 0.911 -8.571 0.473 1.00 2.91 H new ATOM 0 HD13 ILE B1015 1.286 -7.330 -0.746 1.00 2.91 H new ATOM 3117 N ASN B1016 6.074 -11.422 -2.052 1.00 2.03 N ATOM 3118 CA ASN B1016 7.487 -11.669 -1.811 1.00 2.59 C ATOM 3119 C ASN B1016 7.995 -12.567 -2.927 1.00 2.83 C ATOM 3120 O ASN B1016 8.980 -12.259 -3.601 1.00 3.29 O ATOM 3121 CB ASN B1016 7.706 -12.345 -0.448 1.00 3.32 C ATOM 3122 CG ASN B1016 9.144 -12.249 0.037 1.00 3.73 C ATOM 3123 OD1 ASN B1016 10.081 -12.146 -0.755 1.00 4.03 O ATOM 3124 ND2 ASN B1016 9.325 -12.293 1.348 1.00 4.29 N ATOM 0 H ASN B1016 5.710 -11.905 -2.874 1.00 2.03 H new ATOM 0 HA ASN B1016 8.030 -10.724 -1.796 1.00 2.59 H new ATOM 0 HB2 ASN B1016 7.048 -11.885 0.289 1.00 3.32 H new ATOM 0 HB3 ASN B1016 7.421 -13.395 -0.519 1.00 3.32 H new ATOM 0 HD21 ASN B1016 10.267 -12.241 1.735 1.00 4.29 H new ATOM 0 HD22 ASN B1016 8.522 -12.379 1.971 1.00 4.29 H new ATOM 3131 N ARG B1017 7.280 -13.666 -3.131 1.00 3.18 N ATOM 3132 CA ARG B1017 7.561 -14.588 -4.217 1.00 3.90 C ATOM 3133 C ARG B1017 6.264 -14.983 -4.917 1.00 4.54 C ATOM 3134 O ARG B1017 5.521 -15.839 -4.437 1.00 5.06 O ATOM 3135 CB ARG B1017 8.271 -15.834 -3.692 1.00 4.55 C ATOM 3136 CG ARG B1017 8.674 -16.810 -4.785 1.00 5.10 C ATOM 3137 CD ARG B1017 9.408 -18.010 -4.217 1.00 5.97 C ATOM 3138 NE ARG B1017 10.611 -17.619 -3.486 1.00 6.51 N ATOM 3139 CZ ARG B1017 11.629 -18.437 -3.236 1.00 7.49 C ATOM 3140 NH1 ARG B1017 11.604 -19.692 -3.671 1.00 8.03 N ATOM 3141 NH2 ARG B1017 12.675 -17.995 -2.553 1.00 8.17 N ATOM 0 H ARG B1017 6.490 -13.941 -2.547 1.00 3.18 H new ATOM 0 HA ARG B1017 8.215 -14.091 -4.933 1.00 3.90 H new ATOM 0 HB2 ARG B1017 9.161 -15.530 -3.142 1.00 4.55 H new ATOM 0 HB3 ARG B1017 7.617 -16.344 -2.984 1.00 4.55 H new ATOM 0 HG2 ARG B1017 7.786 -17.146 -5.320 1.00 5.10 H new ATOM 0 HG3 ARG B1017 9.310 -16.303 -5.510 1.00 5.10 H new ATOM 0 HD2 ARG B1017 8.743 -18.561 -3.552 1.00 5.97 H new ATOM 0 HD3 ARG B1017 9.680 -18.686 -5.028 1.00 5.97 H new ATOM 0 HE ARG B1017 10.674 -16.659 -3.146 1.00 6.51 H new ATOM 0 HH11 ARG B1017 10.801 -20.033 -4.200 1.00 8.03 H new ATOM 0 HH12 ARG B1017 12.388 -20.315 -3.476 1.00 8.03 H new ATOM 0 HH21 ARG B1017 12.697 -17.031 -2.221 1.00 8.17 H new ATOM 0 HH22 ARG B1017 13.458 -18.619 -2.359 1.00 8.17 H new HETATM 3155 N NH2 B1018 5.978 -14.337 -6.033 1.00 4.96 N TER 3158 NH2 B1018 HETATM 3159 C1 33B B1100 -13.370 -18.192 -3.754 1.00 1.93 C HETATM 3160 C2 33B B1100 -11.884 -17.830 -3.637 1.00 1.78 C HETATM 3161 O2 33B B1100 -11.433 -16.804 -4.144 1.00 2.16 O HETATM 3162 N3 33B B1100 -11.155 -18.689 -2.939 1.00 1.51 N HETATM 3163 C4 33B B1100 -9.823 -18.655 -3.030 1.00 1.44 C HETATM 3164 C5 33B B1100 -9.059 -18.859 -1.874 1.00 1.42 C HETATM 3165 C6 33B B1100 -9.174 -18.432 -4.260 1.00 1.47 C HETATM 3166 S6 33B B1100 -10.047 -18.240 -5.777 1.00 1.71 S HETATM 3167 C7 33B B1100 -7.665 -18.859 -1.948 1.00 1.43 C HETATM 3168 C8 33B B1100 -7.791 -18.423 -4.308 1.00 1.42 C HETATM 3169 C9 33B B1100 -7.039 -18.646 -3.171 1.00 1.39 C HETATM 3170 N10 33B B1100 -5.715 -18.692 -3.293 1.00 1.40 N HETATM 3171 N11 33B B1100 -4.963 -18.911 -2.348 1.00 1.51 N HETATM 3172 C12 33B B1100 -3.658 -18.919 -2.596 1.00 1.54 C HETATM 3173 C13 33B B1100 -2.724 -19.162 -1.591 1.00 1.75 C HETATM 3174 C14 33B B1100 -3.238 -18.675 -3.883 1.00 1.42 C HETATM 3175 C15 33B B1100 -1.364 -19.150 -1.895 1.00 1.78 C HETATM 3176 C16 33B B1100 -1.890 -18.665 -4.194 1.00 1.45 C HETATM 3177 C17 33B B1100 -0.950 -18.899 -3.204 1.00 1.60 C HETATM 3178 S17 33B B1100 -1.370 -18.346 -5.831 1.00 1.38 S HETATM 3179 N18 33B B1100 0.341 -18.834 -3.510 1.00 1.62 N HETATM 3180 C19 33B B1100 1.200 -18.516 -2.548 1.00 1.65 C HETATM 3181 O19 33B B1100 1.445 -19.228 -1.575 1.00 1.92 O HETATM 3182 C20 33B B1100 1.887 -17.165 -2.735 1.00 1.43 C HETATM 3183 O61 33B B1100 -9.315 -18.986 -6.860 1.00 2.30 O HETATM 3184 O62 33B B1100 -11.434 -18.806 -5.686 1.00 2.13 O HETATM 3185 O63 33B B1100 -10.120 -16.788 -6.146 1.00 2.30 O HETATM 3186 O71 33B B1100 -0.365 -19.378 -6.256 1.00 2.03 O HETATM 3187 O72 33B B1100 -0.753 -16.977 -5.909 1.00 1.73 O HETATM 3188 O73 33B B1100 -2.548 -18.410 -6.755 1.00 2.14 O HETATM 0 HO72 33B B1100 -0.356 -16.747 -5.043 1.00 1.73 H new HETATM 0 HO62 33B B1100 -11.894 -18.684 -6.543 1.00 2.13 H new HETATM 0 HN18 33B B1100 0.664 -19.023 -4.459 1.00 1.62 H new HETATM 0 HN3 33B B1100 -11.610 -19.373 -2.335 1.00 1.51 H new HETATM 0 H8 33B B1100 -7.288 -18.237 -5.257 1.00 1.42 H new HETATM 0 H7 33B B1100 -7.070 -19.025 -1.050 1.00 1.43 H new HETATM 0 H5 33B B1100 -9.553 -19.018 -0.916 1.00 1.42 H new HETATM 0 H15 33B B1100 -0.627 -19.336 -1.114 1.00 1.78 H new HETATM 0 H14 33B B1100 -3.974 -18.488 -4.665 1.00 1.42 H new HETATM 0 H13 33B B1100 -3.056 -19.361 -0.572 1.00 1.75 H new