USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 996 hydrogens (0 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 42 MET CE :methyl -139:sc= -0.756 (180deg=-1.29) USER MOD Set 1.2: A 48 SER OG : rot -170:sc= 0.954 USER MOD Set 1.3: A 66 HIS : no HE2:sc= -7.72! C(o=-7.5!,f=-16!) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 173:sc= 0.436 (180deg=-0.586) USER MOD Set 2.2: A 58 ASN : amide:sc= 0.215 K(o=0.65,f=-5) USER MOD Set 3.1: A 37 THR OG1 : rot -51:sc= 1.6 USER MOD Set 3.2: A 39 CYS SG : rot 42:sc= -7.41! USER MOD Set 4.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 72 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-9.2!) USER MOD Set 5.1: A 1 GLN : amide:sc= -4.21! K(o=-8.4!,f=-3.9) USER MOD Set 5.2: A 3 GLN : amide:sc= -4.23! C(o=-8.4!,f=-3.9!) USER MOD Single : A 1 GLN N :NH3+ -120:sc= 0.122 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -164:sc=-0.00815 (180deg=-0.137) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.717 K(o=0.72,f=-0.7) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1.22 (180deg=0.42) USER MOD Single : A 32 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.23) USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 1.14 (180deg=0.981) USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= -1.71! (180deg=-4.31!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.076) USER MOD Single : A 61 LYS NZ :NH3+ -115:sc= 0.163 (180deg=-0.0298) USER MOD Single : A 63 ASN : amide:sc= -1.18 K(o=-1.2,f=0.1) USER MOD Single : A 68 ASN : amide:sc= -2.2! K(o=-2.2!,f=-1) USER MOD Single : A 76 THR OG1 : rot 100:sc= 0.526 USER MOD Single : A 81 GLN : amide:sc= 0.874 K(o=0.87,f=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 2.01 (180deg=1.98) USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= 1.13 (180deg=-0.0444) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0166 (180deg=-0.18) USER MOD Single : A 108 SER OG : rot -77:sc= 0.985 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 138:sc= -0.185 (180deg=-0.85) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -160:sc= -0.611 (180deg=-1.4) USER MOD Single : A 121 ASN : amide:sc= 0.378 X(o=0.38,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.196 15.381 -11.269 1.00 0.76 N ATOM 2 CA GLN A 1 -10.265 14.883 -10.233 1.00 0.55 C ATOM 3 C GLN A 1 -9.124 14.126 -10.891 1.00 0.49 C ATOM 4 O GLN A 1 -9.120 13.933 -12.106 1.00 0.60 O ATOM 5 CB GLN A 1 -10.999 13.965 -9.243 1.00 0.52 C ATOM 6 CG GLN A 1 -11.093 12.515 -9.680 1.00 0.69 C ATOM 7 CD GLN A 1 -12.185 11.756 -8.958 1.00 0.71 C ATOM 8 OE1 GLN A 1 -13.331 11.716 -9.403 1.00 1.40 O ATOM 9 NE2 GLN A 1 -11.839 11.149 -7.841 1.00 0.88 N ATOM 0 H1 GLN A 1 -11.249 16.418 -11.219 1.00 0.76 H new ATOM 0 H2 GLN A 1 -10.853 15.097 -12.209 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.141 14.978 -11.109 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.865 15.735 -9.684 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.490 14.009 -8.280 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.007 14.351 -9.088 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.277 12.475 -10.754 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.136 12.024 -9.502 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -10.877 11.207 -7.506 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -12.533 10.621 -7.311 1.00 0.88 H new ATOM 20 N LEU A 2 -8.162 13.697 -10.093 1.00 0.39 N ATOM 21 CA LEU A 2 -7.103 12.849 -10.591 1.00 0.36 C ATOM 22 C LEU A 2 -6.886 11.705 -9.610 1.00 0.26 C ATOM 23 O LEU A 2 -7.047 11.878 -8.399 1.00 0.27 O ATOM 24 CB LEU A 2 -5.825 13.681 -10.846 1.00 0.48 C ATOM 25 CG LEU A 2 -4.669 13.551 -9.845 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.834 12.307 -10.114 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.789 14.792 -9.897 1.00 1.32 C ATOM 0 H LEU A 2 -8.096 13.923 -9.101 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.378 12.414 -11.552 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.444 13.415 -11.832 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.113 14.731 -10.889 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.100 13.455 -8.848 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.025 12.248 -9.386 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.463 11.421 -10.030 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.415 12.360 -11.119 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.972 14.689 -9.183 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.381 14.907 -10.901 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.383 15.670 -9.644 1.00 1.32 H new ATOM 39 N GLN A 3 -6.580 10.528 -10.134 1.00 0.24 N ATOM 40 CA GLN A 3 -6.367 9.364 -9.291 1.00 0.22 C ATOM 41 C GLN A 3 -5.053 8.696 -9.649 1.00 0.22 C ATOM 42 O GLN A 3 -4.748 8.498 -10.827 1.00 0.25 O ATOM 43 CB GLN A 3 -7.495 8.335 -9.450 1.00 0.24 C ATOM 44 CG GLN A 3 -8.898 8.917 -9.531 1.00 0.26 C ATOM 45 CD GLN A 3 -9.974 7.865 -9.320 1.00 0.26 C ATOM 46 OE1 GLN A 3 -11.074 8.169 -8.871 1.00 0.33 O ATOM 47 NE2 GLN A 3 -9.654 6.615 -9.620 1.00 0.25 N ATOM 0 H GLN A 3 -6.474 10.355 -11.134 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.350 9.712 -8.258 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.308 7.752 -10.352 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.454 7.643 -8.609 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.007 9.700 -8.781 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.038 9.386 -10.505 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -8.729 6.401 -9.992 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -10.333 5.867 -9.479 1.00 0.25 H new ATOM 56 N GLU A 4 -4.275 8.352 -8.642 1.00 0.22 N ATOM 57 CA GLU A 4 -3.078 7.564 -8.864 1.00 0.25 C ATOM 58 C GLU A 4 -3.207 6.258 -8.106 1.00 0.23 C ATOM 59 O GLU A 4 -3.489 6.250 -6.908 1.00 0.27 O ATOM 60 CB GLU A 4 -1.816 8.306 -8.426 1.00 0.30 C ATOM 61 CG GLU A 4 -1.939 9.816 -8.498 1.00 0.28 C ATOM 62 CD GLU A 4 -0.593 10.492 -8.665 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.178 10.548 -7.685 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.285 10.936 -9.791 1.00 0.88 O ATOM 0 H GLU A 4 -4.448 8.603 -7.669 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.982 7.374 -9.933 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.573 8.019 -7.403 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.983 7.988 -9.053 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.586 10.087 -9.332 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.418 10.184 -7.591 1.00 0.28 H new ATOM 71 N LYS A 5 -3.029 5.154 -8.802 1.00 0.24 N ATOM 72 CA LYS A 5 -3.241 3.857 -8.196 1.00 0.25 C ATOM 73 C LYS A 5 -1.932 3.114 -8.094 1.00 0.25 C ATOM 74 O LYS A 5 -1.298 2.796 -9.100 1.00 0.30 O ATOM 75 CB LYS A 5 -4.241 3.009 -8.985 1.00 0.30 C ATOM 76 CG LYS A 5 -5.367 3.792 -9.646 1.00 0.40 C ATOM 77 CD LYS A 5 -4.903 4.472 -10.928 1.00 0.66 C ATOM 78 CE LYS A 5 -6.052 4.715 -11.889 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.518 3.448 -12.514 1.00 1.43 N ATOM 0 H LYS A 5 -2.740 5.129 -9.780 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.654 4.029 -7.202 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.700 2.459 -9.755 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.678 2.270 -8.313 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.195 3.120 -9.870 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.745 4.543 -8.952 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.428 5.422 -10.683 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.148 3.854 -11.414 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -6.879 5.185 -11.357 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.736 5.411 -12.666 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.101 3.666 -13.347 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -5.696 2.882 -12.805 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -7.083 2.909 -11.827 1.00 1.43 H new ATOM 93 N LEU A 6 -1.541 2.837 -6.877 1.00 0.23 N ATOM 94 CA LEU A 6 -0.323 2.115 -6.618 1.00 0.25 C ATOM 95 C LEU A 6 -0.679 0.666 -6.316 1.00 0.24 C ATOM 96 O LEU A 6 -1.136 0.335 -5.219 1.00 0.24 O ATOM 97 CB LEU A 6 0.410 2.791 -5.461 1.00 0.26 C ATOM 98 CG LEU A 6 0.403 4.325 -5.546 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.893 4.947 -4.253 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.245 4.812 -6.721 1.00 0.30 C ATOM 0 H LEU A 6 -2.057 3.105 -6.039 1.00 0.23 H new ATOM 0 HA LEU A 6 0.344 2.123 -7.480 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.050 2.485 -4.521 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.442 2.441 -5.440 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.628 4.640 -5.707 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.877 6.033 -4.343 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.243 4.641 -3.433 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.911 4.614 -4.052 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.223 5.901 -6.758 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.274 4.474 -6.596 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.841 4.409 -7.650 1.00 0.30 H new ATOM 112 N TYR A 7 -0.532 -0.174 -7.327 1.00 0.27 N ATOM 113 CA TYR A 7 -1.011 -1.546 -7.266 1.00 0.27 C ATOM 114 C TYR A 7 -0.151 -2.434 -6.394 1.00 0.29 C ATOM 115 O TYR A 7 1.079 -2.361 -6.420 1.00 0.38 O ATOM 116 CB TYR A 7 -1.094 -2.144 -8.668 1.00 0.32 C ATOM 117 CG TYR A 7 -2.421 -1.919 -9.338 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.718 -0.690 -9.909 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.367 -2.929 -9.414 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.924 -0.470 -10.533 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.578 -2.719 -10.041 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.885 -1.516 -10.542 1.00 0.56 C ATOM 123 OH TYR A 7 -6.050 -1.279 -11.240 1.00 0.69 O ATOM 0 H TYR A 7 -0.081 0.073 -8.208 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.002 -1.504 -6.815 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.306 -1.713 -9.286 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.902 -3.215 -8.609 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -1.991 0.107 -9.863 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.153 -3.893 -8.977 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.136 0.478 -11.006 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.284 -3.532 -10.128 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.634 -2.064 -11.178 1.00 0.69 H new ATOM 133 N VAL A 8 -0.824 -3.273 -5.623 1.00 0.24 N ATOM 134 CA VAL A 8 -0.179 -4.351 -4.911 1.00 0.26 C ATOM 135 C VAL A 8 -0.957 -5.628 -5.159 1.00 0.26 C ATOM 136 O VAL A 8 -2.083 -5.779 -4.703 1.00 0.26 O ATOM 137 CB VAL A 8 -0.101 -4.082 -3.396 1.00 0.36 C ATOM 138 CG1 VAL A 8 1.044 -3.138 -3.081 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.425 -3.523 -2.880 1.00 1.27 C ATOM 0 H VAL A 8 -1.832 -3.221 -5.477 1.00 0.24 H new ATOM 0 HA VAL A 8 0.843 -4.439 -5.278 1.00 0.26 H new ATOM 0 HB VAL A 8 0.088 -5.027 -2.887 1.00 0.36 H new ATOM 0 HG11 VAL A 8 1.083 -2.960 -2.006 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.983 -3.583 -3.410 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.889 -2.192 -3.600 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.350 -3.340 -1.808 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.650 -2.588 -3.393 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.222 -4.242 -3.070 1.00 1.27 H new ATOM 149 N PRO A 9 -0.368 -6.573 -5.878 1.00 0.32 N ATOM 150 CA PRO A 9 -1.070 -7.787 -6.254 1.00 0.37 C ATOM 151 C PRO A 9 -1.346 -8.664 -5.043 1.00 0.34 C ATOM 152 O PRO A 9 -0.491 -9.431 -4.604 1.00 0.35 O ATOM 153 CB PRO A 9 -0.115 -8.464 -7.235 1.00 0.44 C ATOM 154 CG PRO A 9 1.233 -7.952 -6.858 1.00 0.43 C ATOM 155 CD PRO A 9 1.014 -6.543 -6.372 1.00 0.39 C ATOM 0 HA PRO A 9 -2.050 -7.593 -6.691 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.165 -9.550 -7.152 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.361 -8.212 -8.266 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.682 -8.569 -6.080 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.911 -7.971 -7.711 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.718 -6.274 -5.584 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.140 -5.816 -7.174 1.00 0.39 H new ATOM 163 N VAL A 10 -2.538 -8.519 -4.484 1.00 0.34 N ATOM 164 CA VAL A 10 -2.955 -9.319 -3.344 1.00 0.36 C ATOM 165 C VAL A 10 -3.022 -10.790 -3.750 1.00 0.43 C ATOM 166 O VAL A 10 -2.978 -11.696 -2.921 1.00 0.47 O ATOM 167 CB VAL A 10 -4.315 -8.846 -2.797 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.450 -9.190 -3.746 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.566 -9.411 -1.408 1.00 0.52 C ATOM 0 H VAL A 10 -3.237 -7.849 -4.805 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.221 -9.198 -2.547 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.280 -7.759 -2.717 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.394 -8.841 -3.326 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.279 -8.706 -4.708 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.493 -10.270 -3.886 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.532 -9.063 -1.043 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.566 -10.500 -1.453 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.780 -9.075 -0.731 1.00 0.52 H new ATOM 179 N LYS A 11 -3.122 -10.996 -5.056 1.00 0.49 N ATOM 180 CA LYS A 11 -3.069 -12.326 -5.652 1.00 0.58 C ATOM 181 C LYS A 11 -1.704 -12.948 -5.394 1.00 0.53 C ATOM 182 O LYS A 11 -1.571 -14.159 -5.214 1.00 0.60 O ATOM 183 CB LYS A 11 -3.291 -12.226 -7.162 1.00 0.72 C ATOM 184 CG LYS A 11 -4.500 -11.396 -7.550 1.00 1.27 C ATOM 185 CD LYS A 11 -4.579 -11.198 -9.053 1.00 1.76 C ATOM 186 CE LYS A 11 -5.732 -10.283 -9.428 1.00 2.24 C ATOM 187 NZ LYS A 11 -5.820 -10.051 -10.894 1.00 2.93 N ATOM 0 H LYS A 11 -3.243 -10.244 -5.735 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.848 -12.945 -5.207 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -2.403 -11.794 -7.622 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.405 -13.230 -7.570 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.408 -11.887 -7.198 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -4.450 -10.426 -7.056 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -3.643 -10.774 -9.416 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -4.703 -12.163 -9.543 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -6.667 -10.719 -9.075 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -5.614 -9.327 -8.918 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -6.622 -9.421 -11.098 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -4.940 -9.611 -11.229 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -5.960 -10.959 -11.381 1.00 2.93 H new ATOM 201 N GLU A 12 -0.695 -12.085 -5.384 1.00 0.45 N ATOM 202 CA GLU A 12 0.686 -12.486 -5.173 1.00 0.44 C ATOM 203 C GLU A 12 0.970 -12.703 -3.698 1.00 0.39 C ATOM 204 O GLU A 12 1.767 -13.566 -3.326 1.00 0.43 O ATOM 205 CB GLU A 12 1.617 -11.414 -5.722 1.00 0.46 C ATOM 206 CG GLU A 12 1.587 -11.315 -7.240 1.00 0.60 C ATOM 207 CD GLU A 12 2.071 -12.577 -7.927 1.00 0.77 C ATOM 208 OE1 GLU A 12 1.326 -13.581 -7.943 1.00 0.96 O ATOM 209 OE2 GLU A 12 3.198 -12.574 -8.457 1.00 0.97 O ATOM 0 H GLU A 12 -0.815 -11.082 -5.523 1.00 0.45 H new ATOM 0 HA GLU A 12 0.856 -13.427 -5.697 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.341 -10.449 -5.296 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.636 -11.626 -5.398 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.569 -11.099 -7.564 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.207 -10.476 -7.556 1.00 0.60 H new ATOM 216 N TYR A 13 0.314 -11.913 -2.864 1.00 0.34 N ATOM 217 CA TYR A 13 0.520 -11.975 -1.428 1.00 0.35 C ATOM 218 C TYR A 13 -0.793 -12.287 -0.724 1.00 0.39 C ATOM 219 O TYR A 13 -1.435 -11.394 -0.173 1.00 0.40 O ATOM 220 CB TYR A 13 1.085 -10.645 -0.914 1.00 0.34 C ATOM 221 CG TYR A 13 2.262 -10.140 -1.713 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.061 -9.326 -2.818 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.563 -10.482 -1.376 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.120 -8.866 -3.567 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.632 -10.027 -2.122 1.00 0.48 C ATOM 226 CZ TYR A 13 4.407 -9.219 -3.217 1.00 0.46 C ATOM 227 OH TYR A 13 5.471 -8.763 -3.961 1.00 0.53 O ATOM 0 H TYR A 13 -0.370 -11.217 -3.160 1.00 0.34 H new ATOM 0 HA TYR A 13 1.236 -12.768 -1.213 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.296 -9.894 -0.931 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.388 -10.766 0.126 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.055 -9.048 -3.096 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.743 -11.113 -0.518 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.945 -8.232 -4.424 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.640 -10.303 -1.849 1.00 0.48 H new ATOM 0 HH TYR A 13 6.307 -9.103 -3.579 1.00 0.53 H new ATOM 237 N PRO A 14 -1.228 -13.557 -0.750 1.00 0.47 N ATOM 238 CA PRO A 14 -2.489 -13.971 -0.137 1.00 0.55 C ATOM 239 C PRO A 14 -2.433 -13.878 1.381 1.00 0.59 C ATOM 240 O PRO A 14 -3.462 -13.741 2.048 1.00 0.68 O ATOM 241 CB PRO A 14 -2.658 -15.434 -0.577 1.00 0.64 C ATOM 242 CG PRO A 14 -1.660 -15.639 -1.667 1.00 0.75 C ATOM 243 CD PRO A 14 -0.537 -14.690 -1.377 1.00 0.52 C ATOM 0 HA PRO A 14 -3.318 -13.333 -0.444 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.478 -16.117 0.253 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.671 -15.623 -0.932 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -1.306 -16.670 -1.684 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -2.100 -15.437 -2.643 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.205 -15.131 -0.711 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.013 -14.393 -2.285 1.00 0.52 H new ATOM 251 N ASP A 15 -1.220 -13.930 1.923 1.00 0.57 N ATOM 252 CA ASP A 15 -1.035 -13.909 3.365 1.00 0.67 C ATOM 253 C ASP A 15 -0.776 -12.481 3.843 1.00 0.62 C ATOM 254 O ASP A 15 -0.864 -12.191 5.034 1.00 0.76 O ATOM 255 CB ASP A 15 0.132 -14.818 3.770 1.00 0.78 C ATOM 256 CG ASP A 15 -0.039 -15.422 5.154 1.00 1.64 C ATOM 257 OD1 ASP A 15 -0.078 -14.656 6.137 1.00 2.15 O ATOM 258 OD2 ASP A 15 -0.145 -16.662 5.268 1.00 2.43 O ATOM 0 H ASP A 15 -0.355 -13.987 1.385 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.946 -14.280 3.835 1.00 0.67 H new ATOM 0 HB2 ASP A 15 0.231 -15.620 3.039 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.059 -14.245 3.742 1.00 0.78 H new ATOM 263 N PHE A 16 -0.488 -11.571 2.916 1.00 0.48 N ATOM 264 CA PHE A 16 -0.324 -10.175 3.290 1.00 0.43 C ATOM 265 C PHE A 16 -1.555 -9.390 2.903 1.00 0.37 C ATOM 266 O PHE A 16 -1.808 -9.129 1.728 1.00 0.36 O ATOM 267 CB PHE A 16 0.911 -9.530 2.660 1.00 0.41 C ATOM 268 CG PHE A 16 1.326 -8.275 3.390 1.00 0.40 C ATOM 269 CD1 PHE A 16 1.825 -8.364 4.679 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.225 -7.014 2.806 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.218 -7.235 5.372 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.618 -5.879 3.498 1.00 0.36 C ATOM 273 CZ PHE A 16 2.117 -5.993 4.780 1.00 0.49 C ATOM 0 H PHE A 16 -0.366 -11.771 1.923 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.184 -10.154 4.371 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.736 -10.243 2.666 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.704 -9.291 1.617 1.00 0.41 H new ATOM 0 HD1 PHE A 16 1.908 -9.332 5.150 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.836 -6.920 1.803 1.00 0.34 H new ATOM 0 HE1 PHE A 16 2.604 -7.325 6.377 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.534 -4.907 3.035 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.428 -5.110 5.319 1.00 0.49 H new ATOM 283 N ASN A 17 -2.323 -9.017 3.896 1.00 0.37 N ATOM 284 CA ASN A 17 -3.477 -8.184 3.667 1.00 0.35 C ATOM 285 C ASN A 17 -3.062 -6.728 3.613 1.00 0.30 C ATOM 286 O ASN A 17 -2.876 -6.095 4.641 1.00 0.30 O ATOM 287 CB ASN A 17 -4.545 -8.408 4.743 1.00 0.45 C ATOM 288 CG ASN A 17 -3.984 -8.676 6.137 1.00 0.74 C ATOM 289 OD1 ASN A 17 -4.381 -9.641 6.788 1.00 1.29 O ATOM 290 ND2 ASN A 17 -3.099 -7.817 6.622 1.00 0.71 N ATOM 0 H ASN A 17 -2.170 -9.277 4.870 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.916 -8.459 2.708 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -5.190 -7.531 4.786 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -5.171 -9.250 4.448 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.726 -7.946 7.562 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.791 -7.027 6.055 1.00 0.71 H new ATOM 297 N PHE A 18 -2.871 -6.209 2.409 1.00 0.28 N ATOM 298 CA PHE A 18 -2.488 -4.817 2.248 1.00 0.26 C ATOM 299 C PHE A 18 -3.507 -3.887 2.893 1.00 0.27 C ATOM 300 O PHE A 18 -3.137 -2.917 3.528 1.00 0.27 O ATOM 301 CB PHE A 18 -2.286 -4.483 0.774 1.00 0.24 C ATOM 302 CG PHE A 18 -1.114 -5.211 0.191 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.200 -4.841 0.464 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.342 -6.259 -0.665 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.257 -5.523 -0.126 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.304 -6.937 -1.245 1.00 0.25 C ATOM 307 CZ PHE A 18 1.111 -6.537 -0.791 1.00 0.25 C ATOM 0 H PHE A 18 -2.974 -6.727 1.536 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.538 -4.665 2.761 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.187 -4.740 0.217 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.138 -3.409 0.662 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.399 -4.020 1.137 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.357 -6.554 -0.885 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.257 -5.138 0.010 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.469 -7.710 -1.981 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.963 -7.145 -1.057 1.00 0.25 H new ATOM 317 N VAL A 19 -4.785 -4.195 2.766 1.00 0.31 N ATOM 318 CA VAL A 19 -5.813 -3.448 3.476 1.00 0.32 C ATOM 319 C VAL A 19 -5.682 -3.634 4.983 1.00 0.29 C ATOM 320 O VAL A 19 -5.680 -2.660 5.734 1.00 0.27 O ATOM 321 CB VAL A 19 -7.225 -3.841 3.012 1.00 0.41 C ATOM 322 CG1 VAL A 19 -7.584 -3.099 1.739 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.332 -5.344 2.797 1.00 1.13 C ATOM 0 H VAL A 19 -5.137 -4.953 2.181 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.664 -2.394 3.240 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.930 -3.561 3.795 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -8.586 -3.386 1.421 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.556 -2.025 1.923 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -6.869 -3.352 0.956 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.341 -5.594 2.469 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -6.616 -5.655 2.036 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -7.116 -5.862 3.732 1.00 1.13 H new ATOM 333 N GLY A 20 -5.524 -4.877 5.417 1.00 0.33 N ATOM 334 CA GLY A 20 -5.305 -5.162 6.826 1.00 0.35 C ATOM 335 C GLY A 20 -4.013 -4.557 7.339 1.00 0.32 C ATOM 336 O GLY A 20 -3.766 -4.522 8.538 1.00 0.38 O ATOM 0 H GLY A 20 -5.543 -5.700 4.815 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -6.142 -4.775 7.408 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.284 -6.241 6.978 1.00 0.35 H new ATOM 340 N ARG A 21 -3.184 -4.104 6.418 1.00 0.29 N ATOM 341 CA ARG A 21 -1.924 -3.467 6.751 1.00 0.32 C ATOM 342 C ARG A 21 -2.047 -1.947 6.697 1.00 0.31 C ATOM 343 O ARG A 21 -1.611 -1.245 7.614 1.00 0.39 O ATOM 344 CB ARG A 21 -0.847 -3.935 5.763 1.00 0.33 C ATOM 345 CG ARG A 21 0.186 -2.872 5.418 1.00 0.56 C ATOM 346 CD ARG A 21 1.335 -2.796 6.412 1.00 0.52 C ATOM 347 NE ARG A 21 0.901 -2.851 7.810 1.00 1.51 N ATOM 348 CZ ARG A 21 1.518 -3.574 8.747 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.595 -4.288 8.435 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.061 -3.576 9.994 1.00 3.20 N ATOM 0 H ARG A 21 -3.365 -4.167 5.416 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.647 -3.749 7.767 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.335 -4.800 6.184 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.332 -4.267 4.845 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.588 -3.076 4.425 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.306 -1.901 5.369 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.025 -3.618 6.221 1.00 0.52 H new ATOM 0 HD3 ARG A 21 1.887 -1.871 6.247 1.00 0.52 H new ATOM 0 HE ARG A 21 0.082 -2.307 8.082 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.950 -4.284 7.479 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.066 -4.840 9.152 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.238 -3.025 10.236 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.533 -4.129 10.709 1.00 3.20 H new ATOM 364 N ILE A 22 -2.659 -1.455 5.629 1.00 0.27 N ATOM 365 CA ILE A 22 -2.685 -0.027 5.352 1.00 0.31 C ATOM 366 C ILE A 22 -3.706 0.678 6.228 1.00 0.28 C ATOM 367 O ILE A 22 -3.379 1.622 6.941 1.00 0.32 O ATOM 368 CB ILE A 22 -3.023 0.243 3.863 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.935 -0.318 2.940 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.226 1.727 3.600 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.536 0.143 3.282 1.00 0.99 C ATOM 0 H ILE A 22 -3.146 -2.027 4.938 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.692 0.364 5.572 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.959 -0.271 3.645 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.967 -1.407 2.979 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.160 -0.029 1.913 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.461 1.881 2.547 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.048 2.096 4.213 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.314 2.269 3.851 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.174 -0.298 2.582 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.484 1.230 3.214 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.288 -0.170 4.296 1.00 0.99 H new ATOM 383 N LEU A 23 -4.943 0.207 6.186 1.00 0.30 N ATOM 384 CA LEU A 23 -5.981 0.778 7.020 1.00 0.35 C ATOM 385 C LEU A 23 -6.290 -0.110 8.220 1.00 0.37 C ATOM 386 O LEU A 23 -6.952 0.333 9.157 1.00 0.47 O ATOM 387 CB LEU A 23 -7.260 1.170 6.230 1.00 0.59 C ATOM 388 CG LEU A 23 -7.915 0.143 5.276 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.979 -0.258 4.148 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.422 -1.082 6.019 1.00 1.15 C ATOM 0 H LEU A 23 -5.247 -0.562 5.589 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.580 1.716 7.405 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.015 1.466 6.958 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.021 2.055 5.641 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.778 0.640 4.832 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.477 -0.980 3.501 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.710 0.624 3.567 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.077 -0.706 4.565 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.874 -1.776 5.310 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.590 -1.571 6.525 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.167 -0.779 6.755 1.00 1.15 H new ATOM 402 N GLY A 24 -5.775 -1.346 8.193 1.00 0.35 N ATOM 403 CA GLY A 24 -6.055 -2.313 9.248 1.00 0.45 C ATOM 404 C GLY A 24 -5.838 -1.760 10.649 1.00 0.56 C ATOM 405 O GLY A 24 -6.786 -1.313 11.292 1.00 0.70 O ATOM 0 H GLY A 24 -5.165 -1.694 7.453 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.087 -2.652 9.155 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.419 -3.187 9.108 1.00 0.45 H new ATOM 409 N PRO A 25 -4.601 -1.797 11.165 1.00 0.59 N ATOM 410 CA PRO A 25 -4.271 -1.219 12.458 1.00 0.74 C ATOM 411 C PRO A 25 -3.782 0.220 12.331 1.00 0.75 C ATOM 412 O PRO A 25 -3.723 0.959 13.311 1.00 0.90 O ATOM 413 CB PRO A 25 -3.151 -2.134 12.946 1.00 0.85 C ATOM 414 CG PRO A 25 -2.448 -2.586 11.703 1.00 0.77 C ATOM 415 CD PRO A 25 -3.427 -2.446 10.556 1.00 0.57 C ATOM 0 HA PRO A 25 -5.126 -1.164 13.132 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.471 -1.604 13.613 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.549 -2.981 13.504 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.558 -1.983 11.524 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.118 -3.620 11.803 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.012 -1.843 9.749 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.684 -3.416 10.130 1.00 0.57 H new ATOM 423 N ARG A 26 -3.428 0.608 11.113 1.00 0.64 N ATOM 424 CA ARG A 26 -2.823 1.910 10.872 1.00 0.71 C ATOM 425 C ARG A 26 -3.685 2.768 9.950 1.00 0.59 C ATOM 426 O ARG A 26 -3.180 3.698 9.323 1.00 0.63 O ATOM 427 CB ARG A 26 -1.426 1.736 10.266 1.00 0.88 C ATOM 428 CG ARG A 26 -0.470 0.946 11.147 1.00 1.34 C ATOM 429 CD ARG A 26 -0.242 1.631 12.487 1.00 1.33 C ATOM 430 NE ARG A 26 0.512 2.877 12.352 1.00 1.92 N ATOM 431 CZ ARG A 26 1.005 3.558 13.384 1.00 2.49 C ATOM 432 NH1 ARG A 26 0.755 3.161 14.627 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.737 4.645 13.171 1.00 3.43 N ATOM 0 H ARG A 26 -3.550 0.038 10.276 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.744 2.422 11.831 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.518 1.233 9.303 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -0.999 2.720 10.073 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -0.871 -0.054 11.313 1.00 1.34 H new ATOM 0 HG3 ARG A 26 0.484 0.826 10.633 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -1.204 1.840 12.954 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.295 0.954 13.152 1.00 1.33 H new ATOM 0 HE ARG A 26 0.669 3.245 11.414 1.00 1.92 H new ATOM 0 HH11 ARG A 26 0.184 2.332 14.793 1.00 2.67 H new ATOM 0 HH12 ARG A 26 1.134 3.685 15.416 1.00 2.67 H new ATOM 0 HH21 ARG A 26 1.921 4.957 12.218 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.115 5.168 13.961 1.00 3.43 H new ATOM 447 N GLY A 27 -4.989 2.475 9.889 1.00 0.54 N ATOM 448 CA GLY A 27 -5.909 3.265 9.071 1.00 0.56 C ATOM 449 C GLY A 27 -5.852 4.753 9.368 1.00 0.58 C ATOM 450 O GLY A 27 -6.304 5.574 8.561 1.00 0.56 O ATOM 0 H GLY A 27 -5.426 1.703 10.393 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.678 3.103 8.018 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.926 2.908 9.233 1.00 0.56 H new ATOM 454 N LEU A 28 -5.289 5.093 10.525 1.00 0.64 N ATOM 455 CA LEU A 28 -5.088 6.478 10.926 1.00 0.68 C ATOM 456 C LEU A 28 -4.468 7.294 9.795 1.00 0.58 C ATOM 457 O LEU A 28 -4.910 8.410 9.524 1.00 0.55 O ATOM 458 CB LEU A 28 -4.184 6.535 12.162 1.00 0.82 C ATOM 459 CG LEU A 28 -3.861 7.940 12.677 1.00 1.46 C ATOM 460 CD1 LEU A 28 -5.118 8.620 13.200 1.00 1.96 C ATOM 461 CD2 LEU A 28 -2.790 7.876 13.758 1.00 2.25 C ATOM 0 H LEU A 28 -4.960 4.413 11.210 1.00 0.64 H new ATOM 0 HA LEU A 28 -6.061 6.908 11.164 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.660 5.973 12.965 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -3.248 6.028 11.930 1.00 0.82 H new ATOM 0 HG LEU A 28 -3.475 8.533 11.848 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -4.868 9.617 13.562 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -5.851 8.698 12.397 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -5.537 8.032 14.017 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -2.572 8.883 14.114 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -3.147 7.267 14.589 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -1.884 7.432 13.346 1.00 2.25 H new ATOM 473 N THR A 29 -3.470 6.722 9.117 1.00 0.56 N ATOM 474 CA THR A 29 -2.761 7.445 8.068 1.00 0.52 C ATOM 475 C THR A 29 -3.702 7.819 6.924 1.00 0.42 C ATOM 476 O THR A 29 -3.719 8.968 6.496 1.00 0.41 O ATOM 477 CB THR A 29 -1.537 6.657 7.524 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.864 7.421 6.519 1.00 0.92 O ATOM 479 CG2 THR A 29 -1.940 5.310 6.938 1.00 0.48 C ATOM 0 H THR A 29 -3.140 5.770 9.276 1.00 0.56 H new ATOM 0 HA THR A 29 -2.382 8.359 8.525 1.00 0.52 H new ATOM 0 HB THR A 29 -0.871 6.477 8.368 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.094 6.915 6.185 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.054 4.794 6.570 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.418 4.706 7.709 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.637 5.465 6.115 1.00 0.48 H new ATOM 487 N ALA A 30 -4.550 6.885 6.503 1.00 0.39 N ATOM 488 CA ALA A 30 -5.434 7.115 5.365 1.00 0.34 C ATOM 489 C ALA A 30 -6.357 8.290 5.646 1.00 0.32 C ATOM 490 O ALA A 30 -6.586 9.151 4.791 1.00 0.28 O ATOM 491 CB ALA A 30 -6.240 5.859 5.061 1.00 0.38 C ATOM 0 H ALA A 30 -4.644 5.964 6.932 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.828 7.354 4.491 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -6.895 6.044 4.210 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.561 5.039 4.825 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.841 5.593 5.931 1.00 0.38 H new ATOM 497 N LYS A 31 -6.847 8.337 6.871 1.00 0.38 N ATOM 498 CA LYS A 31 -7.740 9.394 7.299 1.00 0.41 C ATOM 499 C LYS A 31 -7.001 10.725 7.392 1.00 0.38 C ATOM 500 O LYS A 31 -7.555 11.779 7.080 1.00 0.39 O ATOM 501 CB LYS A 31 -8.338 9.034 8.656 1.00 0.49 C ATOM 502 CG LYS A 31 -9.379 10.024 9.165 1.00 1.16 C ATOM 503 CD LYS A 31 -10.489 10.249 8.146 1.00 1.63 C ATOM 504 CE LYS A 31 -11.258 8.971 7.842 1.00 2.36 C ATOM 505 NZ LYS A 31 -12.228 9.160 6.730 1.00 3.09 N ATOM 0 H LYS A 31 -6.638 7.647 7.593 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.537 9.499 6.563 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -8.795 8.047 8.588 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.533 8.963 9.387 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.809 9.653 10.096 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -8.896 10.974 9.393 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -11.178 11.005 8.523 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.060 10.641 7.224 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.557 8.178 7.582 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -11.789 8.645 8.736 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.988 8.455 6.809 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -12.635 10.116 6.783 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -11.740 9.042 5.819 1.00 3.09 H new ATOM 519 N GLN A 32 -5.749 10.677 7.823 1.00 0.38 N ATOM 520 CA GLN A 32 -4.957 11.887 7.956 1.00 0.40 C ATOM 521 C GLN A 32 -4.625 12.453 6.590 1.00 0.32 C ATOM 522 O GLN A 32 -4.538 13.664 6.422 1.00 0.33 O ATOM 523 CB GLN A 32 -3.670 11.634 8.745 1.00 0.47 C ATOM 524 CG GLN A 32 -3.914 11.186 10.178 1.00 0.55 C ATOM 525 CD GLN A 32 -4.890 12.081 10.913 1.00 0.63 C ATOM 526 OE1 GLN A 32 -4.500 13.057 11.556 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.170 11.762 10.813 1.00 0.64 N ATOM 0 H GLN A 32 -5.264 9.819 8.085 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.554 12.612 8.510 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.081 10.874 8.231 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.074 12.547 8.755 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.295 10.165 10.175 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -2.966 11.171 10.716 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.451 10.945 10.271 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -6.876 12.333 11.278 1.00 0.64 H new ATOM 536 N LEU A 33 -4.456 11.580 5.611 1.00 0.28 N ATOM 537 CA LEU A 33 -4.083 12.025 4.280 1.00 0.25 C ATOM 538 C LEU A 33 -5.227 12.783 3.639 1.00 0.21 C ATOM 539 O LEU A 33 -5.016 13.853 3.091 1.00 0.22 O ATOM 540 CB LEU A 33 -3.657 10.852 3.389 1.00 0.28 C ATOM 541 CG LEU A 33 -2.690 9.845 4.027 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.008 8.995 2.968 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.662 10.543 4.910 1.00 1.61 C ATOM 0 H LEU A 33 -4.570 10.571 5.711 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.226 12.691 4.382 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.552 10.317 3.073 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.191 11.254 2.489 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.278 9.184 4.663 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.329 8.291 3.449 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.760 8.445 2.403 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.445 9.638 2.292 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -0.993 9.801 5.346 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.083 11.245 4.310 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.174 11.083 5.707 1.00 1.61 H new ATOM 555 N GLU A 34 -6.447 12.278 3.754 1.00 0.21 N ATOM 556 CA GLU A 34 -7.581 12.977 3.159 1.00 0.25 C ATOM 557 C GLU A 34 -7.835 14.286 3.890 1.00 0.29 C ATOM 558 O GLU A 34 -8.126 15.309 3.271 1.00 0.33 O ATOM 559 CB GLU A 34 -8.850 12.120 3.151 1.00 0.31 C ATOM 560 CG GLU A 34 -9.187 11.496 4.496 1.00 0.38 C ATOM 561 CD GLU A 34 -10.644 11.090 4.618 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.507 11.975 4.794 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.937 9.882 4.507 1.00 0.63 O ATOM 0 H GLU A 34 -6.676 11.411 4.240 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.324 13.186 2.121 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.689 12.736 2.828 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.735 11.326 2.413 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.558 10.619 4.650 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -8.946 12.205 5.289 1.00 0.38 H new ATOM 570 N ALA A 35 -7.699 14.248 5.208 1.00 0.30 N ATOM 571 CA ALA A 35 -7.908 15.428 6.030 1.00 0.36 C ATOM 572 C ALA A 35 -6.847 16.493 5.760 1.00 0.35 C ATOM 573 O ALA A 35 -7.157 17.676 5.635 1.00 0.42 O ATOM 574 CB ALA A 35 -7.918 15.051 7.505 1.00 0.40 C ATOM 0 H ALA A 35 -7.444 13.410 5.731 1.00 0.30 H new ATOM 0 HA ALA A 35 -8.878 15.850 5.766 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.075 15.945 8.108 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.722 14.340 7.693 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -6.963 14.597 7.771 1.00 0.40 H new ATOM 580 N GLU A 36 -5.598 16.061 5.651 1.00 0.30 N ATOM 581 CA GLU A 36 -4.478 16.979 5.487 1.00 0.34 C ATOM 582 C GLU A 36 -4.254 17.369 4.034 1.00 0.31 C ATOM 583 O GLU A 36 -4.160 18.554 3.713 1.00 0.41 O ATOM 584 CB GLU A 36 -3.194 16.365 6.047 1.00 0.38 C ATOM 585 CG GLU A 36 -2.779 16.945 7.385 1.00 0.74 C ATOM 586 CD GLU A 36 -2.524 18.433 7.298 1.00 1.25 C ATOM 587 OE1 GLU A 36 -1.550 18.833 6.630 1.00 1.69 O ATOM 588 OE2 GLU A 36 -3.290 19.208 7.904 1.00 1.73 O ATOM 0 H GLU A 36 -5.334 15.076 5.673 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.732 17.882 6.042 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.332 15.289 6.154 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.387 16.514 5.330 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -3.559 16.752 8.122 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -1.878 16.442 7.735 1.00 0.74 H new ATOM 595 N THR A 37 -4.161 16.384 3.155 1.00 0.24 N ATOM 596 CA THR A 37 -3.775 16.650 1.777 1.00 0.26 C ATOM 597 C THR A 37 -4.965 17.117 0.946 1.00 0.28 C ATOM 598 O THR A 37 -4.796 17.691 -0.128 1.00 0.35 O ATOM 599 CB THR A 37 -3.142 15.413 1.099 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.142 14.434 0.805 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.078 14.792 1.992 1.00 0.29 C ATOM 0 H THR A 37 -4.345 15.403 3.367 1.00 0.24 H new ATOM 0 HA THR A 37 -3.029 17.443 1.820 1.00 0.26 H new ATOM 0 HB THR A 37 -2.678 15.745 0.170 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.677 14.262 1.608 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.647 13.923 1.494 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.295 15.524 2.188 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.529 14.483 2.935 1.00 0.29 H new ATOM 609 N GLY A 38 -6.169 16.862 1.453 1.00 0.28 N ATOM 610 CA GLY A 38 -7.374 17.140 0.693 1.00 0.35 C ATOM 611 C GLY A 38 -7.636 16.053 -0.325 1.00 0.35 C ATOM 612 O GLY A 38 -8.579 16.131 -1.117 1.00 0.44 O ATOM 0 H GLY A 38 -6.331 16.467 2.379 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.224 17.222 1.370 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.276 18.101 0.187 1.00 0.35 H new ATOM 616 N CYS A 39 -6.790 15.036 -0.296 1.00 0.29 N ATOM 617 CA CYS A 39 -6.910 13.909 -1.190 1.00 0.26 C ATOM 618 C CYS A 39 -7.316 12.686 -0.414 1.00 0.35 C ATOM 619 O CYS A 39 -6.585 12.212 0.455 1.00 0.73 O ATOM 620 CB CYS A 39 -5.576 13.694 -1.896 1.00 0.37 C ATOM 621 SG CYS A 39 -4.754 15.251 -2.320 1.00 1.29 S ATOM 0 H CYS A 39 -6.003 14.974 0.350 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.677 14.102 -1.939 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.921 13.104 -1.255 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -5.739 13.114 -2.805 1.00 0.37 H new ATOM 0 HG CYS A 39 -4.861 16.083 -1.327 1.00 1.29 H new ATOM 627 N LYS A 40 -8.482 12.164 -0.741 1.00 0.28 N ATOM 628 CA LYS A 40 -8.991 11.020 -0.044 1.00 0.27 C ATOM 629 C LYS A 40 -8.400 9.774 -0.666 1.00 0.24 C ATOM 630 O LYS A 40 -8.870 9.281 -1.687 1.00 0.26 O ATOM 631 CB LYS A 40 -10.530 10.989 -0.049 1.00 0.35 C ATOM 632 CG LYS A 40 -11.165 10.970 -1.434 1.00 1.07 C ATOM 633 CD LYS A 40 -12.499 10.243 -1.414 1.00 1.36 C ATOM 634 CE LYS A 40 -12.939 9.854 -2.814 1.00 1.62 C ATOM 635 NZ LYS A 40 -13.716 10.931 -3.490 1.00 2.51 N ATOM 0 H LYS A 40 -9.086 12.518 -1.483 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.696 11.073 1.004 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.863 10.108 0.500 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.899 11.860 0.492 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.309 11.992 -1.785 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.492 10.482 -2.139 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -12.419 9.350 -0.795 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.256 10.881 -0.957 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -12.061 9.614 -3.413 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.547 8.950 -2.762 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.788 10.722 -4.506 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -14.670 10.982 -3.078 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -13.233 11.843 -3.358 1.00 2.51 H new ATOM 649 N ILE A 41 -7.338 9.292 -0.073 1.00 0.22 N ATOM 650 CA ILE A 41 -6.687 8.109 -0.575 1.00 0.21 C ATOM 651 C ILE A 41 -7.466 6.880 -0.147 1.00 0.23 C ATOM 652 O ILE A 41 -7.494 6.492 1.023 1.00 0.29 O ATOM 653 CB ILE A 41 -5.215 8.031 -0.122 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.584 6.698 -0.523 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.085 8.244 1.383 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.179 6.523 0.007 1.00 0.25 C ATOM 0 H ILE A 41 -6.906 9.699 0.756 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.674 8.156 -1.664 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.678 8.833 -0.628 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.208 5.883 -0.157 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.568 6.623 -1.610 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.035 8.183 1.670 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.477 9.226 1.647 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -5.650 7.475 1.909 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.787 5.557 -0.312 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.542 7.319 -0.380 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.193 6.567 1.096 1.00 0.25 H new ATOM 668 N MET A 42 -8.128 6.298 -1.118 1.00 0.20 N ATOM 669 CA MET A 42 -9.022 5.204 -0.882 1.00 0.21 C ATOM 670 C MET A 42 -8.386 3.940 -1.406 1.00 0.20 C ATOM 671 O MET A 42 -7.853 3.910 -2.516 1.00 0.21 O ATOM 672 CB MET A 42 -10.365 5.451 -1.579 1.00 0.26 C ATOM 673 CG MET A 42 -10.269 5.541 -3.099 1.00 0.29 C ATOM 674 SD MET A 42 -11.850 5.910 -3.885 1.00 0.45 S ATOM 675 CE MET A 42 -12.898 4.632 -3.189 1.00 1.43 C ATOM 0 H MET A 42 -8.057 6.576 -2.097 1.00 0.20 H new ATOM 0 HA MET A 42 -9.210 5.108 0.187 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.052 4.647 -1.316 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.796 6.377 -1.197 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.548 6.313 -3.367 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.887 4.598 -3.490 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.554 4.237 -3.965 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.277 3.828 -2.794 1.00 1.43 H new ATOM 0 HE3 MET A 42 -13.501 5.054 -2.385 1.00 1.43 H new ATOM 685 N VAL A 43 -8.421 2.900 -0.619 1.00 0.22 N ATOM 686 CA VAL A 43 -7.872 1.655 -1.063 1.00 0.25 C ATOM 687 C VAL A 43 -8.899 0.961 -1.942 1.00 0.27 C ATOM 688 O VAL A 43 -10.059 0.821 -1.567 1.00 0.41 O ATOM 689 CB VAL A 43 -7.454 0.761 0.114 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.412 -0.232 -0.348 1.00 0.51 C ATOM 691 CG2 VAL A 43 -6.910 1.598 1.266 1.00 0.79 C ATOM 0 H VAL A 43 -8.819 2.891 0.320 1.00 0.22 H new ATOM 0 HA VAL A 43 -6.966 1.849 -1.636 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.332 0.223 0.473 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.117 -0.865 0.489 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.827 -0.851 -1.143 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.540 0.304 -0.723 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.621 0.942 2.087 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.040 2.161 0.928 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -7.680 2.290 1.608 1.00 0.79 H new ATOM 701 N ARG A 44 -8.476 0.576 -3.129 1.00 0.29 N ATOM 702 CA ARG A 44 -9.358 -0.051 -4.100 1.00 0.31 C ATOM 703 C ARG A 44 -8.961 -1.517 -4.200 1.00 0.38 C ATOM 704 O ARG A 44 -7.886 -1.890 -3.749 1.00 0.71 O ATOM 705 CB ARG A 44 -9.255 0.625 -5.488 1.00 0.33 C ATOM 706 CG ARG A 44 -9.220 2.157 -5.470 1.00 0.37 C ATOM 707 CD ARG A 44 -10.558 2.822 -5.772 1.00 0.50 C ATOM 708 NE ARG A 44 -10.975 2.707 -7.163 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.656 3.658 -7.812 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.991 4.785 -7.188 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.009 3.474 -9.079 1.00 1.10 N ATOM 0 H ARG A 44 -7.514 0.687 -3.450 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.393 0.054 -3.773 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.354 0.263 -5.984 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -10.103 0.305 -6.094 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -8.876 2.489 -4.490 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -8.485 2.500 -6.198 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -11.324 2.379 -5.136 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.495 3.878 -5.508 1.00 0.50 H new ATOM 0 HE ARG A 44 -10.735 1.855 -7.670 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.728 4.925 -6.212 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.510 5.508 -7.685 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -11.761 2.608 -9.557 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -12.528 4.199 -9.574 1.00 1.10 H new ATOM 725 N GLY A 45 -9.805 -2.341 -4.783 1.00 0.26 N ATOM 726 CA GLY A 45 -9.548 -3.755 -4.796 1.00 0.29 C ATOM 727 C GLY A 45 -10.448 -4.452 -3.815 1.00 0.29 C ATOM 728 O GLY A 45 -11.381 -3.844 -3.285 1.00 0.33 O ATOM 0 H GLY A 45 -10.666 -2.055 -5.249 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.711 -4.153 -5.798 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.505 -3.945 -4.543 1.00 0.29 H new ATOM 732 N LYS A 46 -10.191 -5.711 -3.561 1.00 0.39 N ATOM 733 CA LYS A 46 -11.024 -6.457 -2.649 1.00 0.50 C ATOM 734 C LYS A 46 -10.565 -6.262 -1.210 1.00 0.50 C ATOM 735 O LYS A 46 -9.424 -6.567 -0.861 1.00 0.62 O ATOM 736 CB LYS A 46 -11.052 -7.939 -3.027 1.00 0.74 C ATOM 737 CG LYS A 46 -9.698 -8.621 -3.012 1.00 0.90 C ATOM 738 CD LYS A 46 -9.636 -9.726 -4.047 1.00 0.94 C ATOM 739 CE LYS A 46 -9.877 -9.180 -5.448 1.00 0.72 C ATOM 740 NZ LYS A 46 -11.314 -9.192 -5.835 1.00 1.45 N ATOM 0 H LYS A 46 -9.419 -6.238 -3.969 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.042 -6.074 -2.727 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.716 -8.463 -2.339 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.483 -8.038 -4.023 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.915 -7.888 -3.209 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.506 -9.034 -2.022 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.662 -10.213 -4.006 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.382 -10.486 -3.817 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.499 -8.159 -5.505 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -9.308 -9.771 -6.166 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -11.415 -9.607 -6.783 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -11.853 -9.759 -5.150 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -11.680 -8.218 -5.843 1.00 1.45 H new ATOM 754 N GLY A 47 -11.445 -5.714 -0.381 1.00 0.57 N ATOM 755 CA GLY A 47 -11.143 -5.639 1.033 1.00 0.68 C ATOM 756 C GLY A 47 -11.093 -4.227 1.574 1.00 0.51 C ATOM 757 O GLY A 47 -10.617 -4.008 2.686 1.00 0.60 O ATOM 0 H GLY A 47 -12.347 -5.327 -0.657 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -11.894 -6.203 1.586 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.183 -6.122 1.216 1.00 0.68 H new ATOM 761 N SER A 48 -11.589 -3.268 0.808 1.00 0.54 N ATOM 762 CA SER A 48 -11.589 -1.881 1.247 1.00 0.72 C ATOM 763 C SER A 48 -12.607 -1.663 2.378 1.00 1.02 C ATOM 764 O SER A 48 -12.244 -1.330 3.505 1.00 1.43 O ATOM 765 CB SER A 48 -11.960 -1.005 0.066 1.00 0.82 C ATOM 766 OG SER A 48 -11.366 -1.499 -1.118 1.00 1.31 O ATOM 0 H SER A 48 -11.994 -3.423 -0.115 1.00 0.54 H new ATOM 0 HA SER A 48 -10.599 -1.626 1.624 1.00 0.72 H new ATOM 0 HB2 SER A 48 -13.044 -0.976 -0.048 1.00 0.82 H new ATOM 0 HB3 SER A 48 -11.631 0.018 0.246 1.00 0.82 H new ATOM 0 HG SER A 48 -11.480 -0.845 -1.839 1.00 1.31 H new ATOM 772 N MET A 49 -13.884 -1.880 2.059 1.00 1.18 N ATOM 773 CA MET A 49 -14.978 -1.734 3.009 1.00 1.58 C ATOM 774 C MET A 49 -15.793 -3.021 3.051 1.00 1.30 C ATOM 775 O MET A 49 -17.005 -2.984 3.252 1.00 1.70 O ATOM 776 CB MET A 49 -15.880 -0.550 2.640 1.00 2.49 C ATOM 777 CG MET A 49 -15.229 0.817 2.816 1.00 3.25 C ATOM 778 SD MET A 49 -14.042 1.220 1.517 1.00 4.35 S ATOM 779 CE MET A 49 -13.508 2.847 2.047 1.00 5.15 C ATOM 0 H MET A 49 -14.186 -2.164 1.127 1.00 1.18 H new ATOM 0 HA MET A 49 -14.555 -1.537 3.994 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.194 -0.658 1.602 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.781 -0.591 3.252 1.00 2.49 H new ATOM 0 HG2 MET A 49 -16.006 1.581 2.837 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.724 0.849 3.782 1.00 3.25 H new ATOM 0 HE1 MET A 49 -12.770 3.234 1.345 1.00 5.15 H new ATOM 0 HE2 MET A 49 -14.366 3.519 2.079 1.00 5.15 H new ATOM 0 HE3 MET A 49 -13.063 2.778 3.040 1.00 5.15 H new ATOM 789 N ARG A 50 -15.101 -4.145 2.853 1.00 0.89 N ATOM 790 CA ARG A 50 -15.705 -5.467 2.607 1.00 1.28 C ATOM 791 C ARG A 50 -16.542 -6.021 3.768 1.00 1.22 C ATOM 792 O ARG A 50 -16.691 -7.235 3.888 1.00 1.55 O ATOM 793 CB ARG A 50 -14.597 -6.469 2.275 1.00 1.65 C ATOM 794 CG ARG A 50 -14.561 -6.877 0.814 1.00 2.14 C ATOM 795 CD ARG A 50 -15.666 -7.869 0.479 1.00 2.26 C ATOM 796 NE ARG A 50 -15.406 -9.195 1.044 1.00 3.05 N ATOM 797 CZ ARG A 50 -16.129 -10.280 0.763 1.00 3.84 C ATOM 798 NH1 ARG A 50 -17.247 -10.174 0.051 1.00 4.04 N ATOM 799 NH2 ARG A 50 -15.761 -11.464 1.236 1.00 4.74 N ATOM 0 H ARG A 50 -14.081 -4.167 2.858 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.397 -5.327 1.776 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.634 -6.035 2.546 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -14.729 -7.360 2.889 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -14.664 -5.992 0.186 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -13.592 -7.320 0.584 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -16.617 -7.494 0.858 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -15.764 -7.950 -0.604 1.00 2.26 H new ATOM 0 HE ARG A 50 -14.624 -9.295 1.692 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -17.555 -9.260 -0.282 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -17.797 -11.006 -0.162 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -14.925 -11.545 1.815 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -16.314 -12.293 1.021 1.00 4.74 H new ATOM 813 N ASP A 51 -17.093 -5.162 4.601 1.00 0.99 N ATOM 814 CA ASP A 51 -17.899 -5.616 5.715 1.00 1.15 C ATOM 815 C ASP A 51 -19.297 -5.966 5.214 1.00 1.27 C ATOM 816 O ASP A 51 -19.882 -5.214 4.428 1.00 1.24 O ATOM 817 CB ASP A 51 -17.969 -4.539 6.791 1.00 1.25 C ATOM 818 CG ASP A 51 -18.544 -5.070 8.090 1.00 1.85 C ATOM 819 OD1 ASP A 51 -19.762 -5.333 8.141 1.00 2.67 O ATOM 820 OD2 ASP A 51 -17.777 -5.248 9.059 1.00 1.97 O ATOM 0 H ASP A 51 -16.998 -4.149 4.528 1.00 0.99 H new ATOM 0 HA ASP A 51 -17.444 -6.504 6.155 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.970 -4.142 6.972 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.581 -3.710 6.435 1.00 1.25 H new ATOM 825 N LYS A 52 -19.827 -7.095 5.675 1.00 1.46 N ATOM 826 CA LYS A 52 -21.084 -7.638 5.157 1.00 1.63 C ATOM 827 C LYS A 52 -22.226 -6.632 5.229 1.00 1.60 C ATOM 828 O LYS A 52 -23.055 -6.548 4.315 1.00 1.65 O ATOM 829 CB LYS A 52 -21.482 -8.903 5.911 1.00 1.89 C ATOM 830 CG LYS A 52 -20.558 -10.085 5.675 1.00 2.13 C ATOM 831 CD LYS A 52 -21.138 -11.359 6.265 1.00 2.73 C ATOM 832 CE LYS A 52 -22.495 -11.681 5.658 1.00 3.39 C ATOM 833 NZ LYS A 52 -23.105 -12.896 6.258 1.00 4.02 N ATOM 0 H LYS A 52 -19.403 -7.658 6.413 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.906 -7.875 4.108 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -21.507 -8.683 6.978 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -22.494 -9.183 5.619 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -20.397 -10.217 4.605 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.584 -9.884 6.122 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -20.453 -12.188 6.090 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -21.237 -11.250 7.345 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -23.165 -10.833 5.799 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -22.385 -11.825 4.583 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -24.028 -13.077 5.814 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -22.480 -13.712 6.101 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -23.235 -12.751 7.280 1.00 4.02 H new ATOM 847 N LYS A 53 -22.266 -5.862 6.306 1.00 1.58 N ATOM 848 CA LYS A 53 -23.331 -4.891 6.498 1.00 1.61 C ATOM 849 C LYS A 53 -23.301 -3.852 5.382 1.00 1.43 C ATOM 850 O LYS A 53 -24.336 -3.332 4.969 1.00 1.45 O ATOM 851 CB LYS A 53 -23.204 -4.200 7.862 1.00 1.70 C ATOM 852 CG LYS A 53 -21.953 -3.350 8.003 1.00 1.61 C ATOM 853 CD LYS A 53 -21.855 -2.700 9.373 1.00 1.81 C ATOM 854 CE LYS A 53 -21.719 -3.730 10.485 1.00 2.29 C ATOM 855 NZ LYS A 53 -21.558 -3.084 11.812 1.00 2.51 N ATOM 0 H LYS A 53 -21.576 -5.891 7.057 1.00 1.58 H new ATOM 0 HA LYS A 53 -24.284 -5.420 6.469 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -24.080 -3.571 8.024 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -23.207 -4.958 8.645 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -21.073 -3.970 7.833 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.952 -2.577 7.235 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -20.997 -2.028 9.395 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -22.742 -2.091 9.549 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -22.600 -4.372 10.497 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -20.860 -4.371 10.285 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -21.468 -3.816 12.546 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -20.704 -2.491 11.808 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -22.389 -2.492 12.013 1.00 2.51 H new ATOM 869 N LYS A 54 -22.108 -3.563 4.883 1.00 1.31 N ATOM 870 CA LYS A 54 -21.939 -2.535 3.872 1.00 1.17 C ATOM 871 C LYS A 54 -22.362 -3.070 2.517 1.00 1.19 C ATOM 872 O LYS A 54 -22.952 -2.357 1.699 1.00 1.21 O ATOM 873 CB LYS A 54 -20.493 -2.057 3.842 1.00 1.09 C ATOM 874 CG LYS A 54 -20.374 -0.574 3.547 1.00 1.22 C ATOM 875 CD LYS A 54 -19.024 -0.024 3.961 1.00 1.37 C ATOM 876 CE LYS A 54 -18.957 1.484 3.765 1.00 1.53 C ATOM 877 NZ LYS A 54 -20.047 2.185 4.496 1.00 2.16 N ATOM 0 H LYS A 54 -21.244 -4.027 5.163 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.571 -1.682 4.119 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -20.024 -2.271 4.802 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.944 -2.619 3.086 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.525 -0.402 2.481 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -21.163 -0.035 4.072 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -18.836 -0.266 5.007 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.239 -0.504 3.377 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -17.991 1.853 4.111 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -19.025 1.716 2.702 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -19.900 3.213 4.437 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -20.964 1.941 4.069 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -20.041 1.892 5.494 1.00 2.16 H new ATOM 891 N GLU A 55 -22.082 -4.340 2.299 1.00 1.26 N ATOM 892 CA GLU A 55 -22.516 -5.019 1.079 1.00 1.33 C ATOM 893 C GLU A 55 -24.033 -4.993 0.986 1.00 1.46 C ATOM 894 O GLU A 55 -24.601 -5.105 -0.095 1.00 1.53 O ATOM 895 CB GLU A 55 -22.057 -6.475 1.062 1.00 1.44 C ATOM 896 CG GLU A 55 -20.719 -6.713 1.715 1.00 1.58 C ATOM 897 CD GLU A 55 -20.302 -8.165 1.636 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.849 -8.987 2.404 1.00 1.96 O ATOM 899 OE2 GLU A 55 -19.402 -8.490 0.830 1.00 2.05 O ATOM 0 H GLU A 55 -21.557 -4.928 2.946 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.071 -4.495 0.233 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.807 -7.086 1.565 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -22.009 -6.816 0.028 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -19.964 -6.092 1.233 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -20.765 -6.405 2.760 1.00 1.58 H new ATOM 906 N GLU A 56 -24.678 -4.900 2.139 1.00 1.51 N ATOM 907 CA GLU A 56 -26.125 -4.821 2.198 1.00 1.64 C ATOM 908 C GLU A 56 -26.637 -3.378 2.098 1.00 1.57 C ATOM 909 O GLU A 56 -27.610 -3.111 1.400 1.00 1.62 O ATOM 910 CB GLU A 56 -26.621 -5.481 3.476 1.00 1.78 C ATOM 911 CG GLU A 56 -26.222 -6.945 3.576 1.00 1.87 C ATOM 912 CD GLU A 56 -26.903 -7.671 4.710 1.00 2.05 C ATOM 913 OE1 GLU A 56 -26.808 -7.217 5.868 1.00 2.40 O ATOM 914 OE2 GLU A 56 -27.540 -8.710 4.448 1.00 2.33 O ATOM 0 H GLU A 56 -24.217 -4.878 3.049 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.523 -5.353 1.334 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -26.224 -4.941 4.336 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.707 -5.401 3.523 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -26.461 -7.445 2.637 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -25.142 -7.012 3.707 1.00 1.87 H new ATOM 921 N GLN A 57 -25.992 -2.453 2.799 1.00 1.48 N ATOM 922 CA GLN A 57 -26.486 -1.074 2.861 1.00 1.47 C ATOM 923 C GLN A 57 -25.822 -0.167 1.810 1.00 1.36 C ATOM 924 O GLN A 57 -26.496 0.623 1.153 1.00 1.40 O ATOM 925 CB GLN A 57 -26.274 -0.502 4.268 1.00 1.55 C ATOM 926 CG GLN A 57 -24.872 0.026 4.514 1.00 1.59 C ATOM 927 CD GLN A 57 -24.474 0.020 5.967 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.747 0.958 6.714 1.00 2.37 O ATOM 929 NE2 GLN A 57 -23.781 -1.027 6.365 1.00 1.85 N ATOM 0 H GLN A 57 -25.137 -2.624 3.328 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.552 -1.100 2.635 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -26.989 0.304 4.433 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -26.493 -1.278 5.002 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -24.161 -0.576 3.948 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -24.803 1.044 4.131 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -23.578 -1.783 5.711 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.448 -1.082 7.327 1.00 1.85 H new ATOM 938 N ASN A 58 -24.504 -0.287 1.653 1.00 1.27 N ATOM 939 CA ASN A 58 -23.751 0.529 0.720 1.00 1.21 C ATOM 940 C ASN A 58 -23.431 -0.268 -0.533 1.00 1.16 C ATOM 941 O ASN A 58 -22.488 0.033 -1.256 1.00 1.13 O ATOM 942 CB ASN A 58 -22.453 1.007 1.357 1.00 1.21 C ATOM 943 CG ASN A 58 -22.637 2.193 2.285 1.00 1.55 C ATOM 944 OD1 ASN A 58 -22.748 2.036 3.502 1.00 2.20 O ATOM 945 ND2 ASN A 58 -22.668 3.387 1.721 1.00 1.95 N ATOM 0 H ASN A 58 -23.934 -0.955 2.172 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.359 1.394 0.455 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.007 0.184 1.916 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.749 1.277 0.570 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.787 4.220 2.297 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -22.573 3.476 0.709 1.00 1.95 H new ATOM 952 N ARG A 59 -24.199 -1.320 -0.731 1.00 1.20 N ATOM 953 CA ARG A 59 -24.132 -2.152 -1.929 1.00 1.22 C ATOM 954 C ARG A 59 -24.034 -1.326 -3.216 1.00 1.19 C ATOM 955 O ARG A 59 -24.669 -0.278 -3.357 1.00 1.24 O ATOM 956 CB ARG A 59 -25.376 -3.041 -1.990 1.00 1.36 C ATOM 957 CG ARG A 59 -26.679 -2.272 -2.186 1.00 1.47 C ATOM 958 CD ARG A 59 -27.888 -3.085 -1.746 1.00 1.69 C ATOM 959 NE ARG A 59 -27.836 -4.465 -2.220 1.00 2.08 N ATOM 960 CZ ARG A 59 -28.281 -5.505 -1.514 1.00 2.67 C ATOM 961 NH1 ARG A 59 -28.890 -5.300 -0.350 1.00 2.95 N ATOM 962 NH2 ARG A 59 -28.127 -6.739 -1.976 1.00 3.45 N ATOM 0 H ARG A 59 -24.900 -1.631 -0.058 1.00 1.20 H new ATOM 0 HA ARG A 59 -23.226 -2.754 -1.861 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -25.261 -3.754 -2.806 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -25.442 -3.619 -1.068 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.641 -1.342 -1.619 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.786 -2.001 -3.236 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.949 -3.080 -0.658 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -28.796 -2.610 -2.118 1.00 1.69 H new ATOM 0 HE ARG A 59 -27.437 -4.643 -3.142 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -29.015 -4.350 -0.000 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -29.232 -6.093 0.193 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -27.667 -6.894 -2.873 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -28.468 -7.533 -1.434 1.00 3.45 H new ATOM 976 N GLY A 60 -23.207 -1.809 -4.134 1.00 1.15 N ATOM 977 CA GLY A 60 -23.057 -1.178 -5.434 1.00 1.15 C ATOM 978 C GLY A 60 -22.172 0.059 -5.418 1.00 1.07 C ATOM 979 O GLY A 60 -21.858 0.610 -6.473 1.00 1.09 O ATOM 0 H GLY A 60 -22.629 -2.639 -3.999 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.640 -1.903 -6.133 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.043 -0.903 -5.810 1.00 1.15 H new ATOM 983 N LYS A 61 -21.762 0.495 -4.235 1.00 1.00 N ATOM 984 CA LYS A 61 -20.972 1.718 -4.105 1.00 0.95 C ATOM 985 C LYS A 61 -19.478 1.428 -4.271 1.00 0.80 C ATOM 986 O LYS A 61 -19.082 0.267 -4.258 1.00 0.77 O ATOM 987 CB LYS A 61 -21.264 2.401 -2.765 1.00 1.04 C ATOM 988 CG LYS A 61 -22.733 2.755 -2.587 1.00 1.55 C ATOM 989 CD LYS A 61 -23.238 3.632 -3.724 1.00 2.06 C ATOM 990 CE LYS A 61 -24.756 3.708 -3.741 1.00 2.55 C ATOM 991 NZ LYS A 61 -25.375 2.382 -4.014 1.00 3.16 N ATOM 0 H LYS A 61 -21.961 0.024 -3.352 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.261 2.402 -4.903 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -20.953 1.744 -1.953 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.665 3.308 -2.688 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -23.325 1.841 -2.540 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.871 3.273 -1.638 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -22.824 4.635 -3.622 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -22.882 3.236 -4.675 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.111 4.084 -2.782 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.075 4.421 -4.501 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -25.878 2.414 -4.924 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -24.633 1.654 -4.054 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -26.047 2.150 -3.255 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.651 2.488 -4.479 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.189 2.426 -4.677 1.00 0.66 C ATOM 1007 C PRO A 62 -16.450 1.247 -4.049 1.00 0.58 C ATOM 1008 O PRO A 62 -15.522 0.710 -4.642 1.00 0.51 O ATOM 1009 CB PRO A 62 -16.777 3.701 -3.971 1.00 0.70 C ATOM 1010 CG PRO A 62 -17.808 4.686 -4.404 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.089 3.896 -4.591 1.00 0.85 C ATOM 0 HA PRO A 62 -16.945 2.310 -5.733 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.771 3.576 -2.888 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -15.775 4.015 -4.262 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -17.938 5.469 -3.657 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.513 5.177 -5.332 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -19.829 4.147 -3.831 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.546 4.097 -5.560 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.885 0.814 -2.891 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.210 -0.263 -2.178 1.00 0.63 C ATOM 1021 C ASN A 63 -16.329 -1.546 -2.974 1.00 0.56 C ATOM 1022 O ASN A 63 -15.399 -2.350 -3.035 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.832 -0.454 -0.799 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.663 0.734 -0.358 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -17.172 1.644 0.302 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -18.929 0.735 -0.736 1.00 1.06 N ATOM 0 H ASN A 63 -17.706 1.187 -2.414 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.158 -0.005 -2.056 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.459 -1.346 -0.809 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.041 -0.628 -0.070 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -19.537 1.513 -0.479 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.298 -0.042 -1.284 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.484 -1.713 -3.587 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.772 -2.860 -4.415 1.00 0.62 C ATOM 1035 C TRP A 64 -17.410 -2.545 -5.842 1.00 0.60 C ATOM 1036 O TRP A 64 -17.159 -3.438 -6.628 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.240 -3.223 -4.293 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.707 -3.056 -2.888 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.731 -2.285 -2.457 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.109 -3.626 -1.721 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.827 -2.346 -1.094 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.840 -3.166 -0.616 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.033 -4.491 -1.506 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.526 -3.536 0.683 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.720 -4.853 -0.214 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.467 -4.377 0.867 1.00 1.18 C ATOM 0 H TRP A 64 -18.255 -1.048 -3.522 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.182 -3.715 -4.086 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.832 -2.592 -4.956 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.393 -4.254 -4.613 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.379 -1.705 -3.097 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.521 -1.860 -0.526 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.457 -4.869 -2.338 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -20.100 -3.171 1.521 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.885 -5.514 -0.034 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.201 -4.681 1.869 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.389 -1.251 -6.153 1.00 0.57 N ATOM 1058 CA GLU A 65 -16.942 -0.768 -7.450 1.00 0.55 C ATOM 1059 C GLU A 65 -15.591 -1.362 -7.786 1.00 0.48 C ATOM 1060 O GLU A 65 -15.391 -1.932 -8.854 1.00 0.51 O ATOM 1061 CB GLU A 65 -16.867 0.768 -7.433 1.00 0.59 C ATOM 1062 CG GLU A 65 -15.982 1.399 -8.511 1.00 0.69 C ATOM 1063 CD GLU A 65 -14.507 1.469 -8.129 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -14.193 1.965 -7.023 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -13.660 1.009 -8.931 1.00 1.59 O ATOM 0 H GLU A 65 -17.681 -0.513 -5.513 1.00 0.57 H new ATOM 0 HA GLU A 65 -17.655 -1.076 -8.215 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -17.877 1.164 -7.539 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -16.501 1.085 -6.456 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.083 0.826 -9.433 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -16.342 2.406 -8.721 1.00 0.69 H new ATOM 1072 N HIS A 66 -14.667 -1.205 -6.866 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.325 -1.696 -7.048 1.00 0.38 C ATOM 1074 C HIS A 66 -13.122 -3.047 -6.372 1.00 0.36 C ATOM 1075 O HIS A 66 -12.018 -3.578 -6.377 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.341 -0.663 -6.527 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.580 -0.266 -5.105 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -12.771 1.037 -4.721 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.614 -0.999 -3.974 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -12.895 1.093 -3.410 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.806 -0.132 -2.929 1.00 0.47 N ATOM 0 H HIS A 66 -14.826 -0.735 -5.975 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.149 -1.853 -8.112 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.330 -1.059 -6.619 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.394 0.225 -7.156 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -12.811 1.838 -5.352 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.509 -2.072 -3.904 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.044 1.990 -2.828 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.179 -3.574 -5.759 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.134 -4.900 -5.137 1.00 0.40 C ATOM 1092 C LEU A 67 -13.846 -5.943 -6.207 1.00 0.41 C ATOM 1093 O LEU A 67 -13.201 -6.964 -5.963 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.476 -5.189 -4.436 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.540 -6.418 -3.512 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -15.663 -7.714 -4.302 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -14.324 -6.462 -2.608 1.00 1.59 C ATOM 0 H LEU A 67 -15.081 -3.104 -5.678 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.342 -4.936 -4.389 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.746 -4.311 -3.849 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.240 -5.305 -5.205 1.00 0.48 H new ATOM 0 HG LEU A 67 -16.436 -6.322 -2.898 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -15.705 -8.558 -3.613 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -16.573 -7.690 -4.902 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -14.799 -7.824 -4.958 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -14.384 -7.337 -1.960 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -13.421 -6.521 -3.216 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.292 -5.560 -1.997 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.301 -5.631 -7.403 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.137 -6.507 -8.558 1.00 0.47 C ATOM 1111 C ASN A 68 -12.804 -6.234 -9.249 1.00 0.44 C ATOM 1112 O ASN A 68 -12.460 -6.866 -10.249 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.311 -6.338 -9.537 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.738 -4.892 -9.722 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -15.234 -4.185 -10.593 1.00 1.86 O ATOM 1116 ND2 ASN A 68 -16.686 -4.449 -8.905 1.00 0.58 N ATOM 0 H ASN A 68 -14.796 -4.763 -7.608 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.134 -7.541 -8.212 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.030 -6.753 -10.505 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -16.161 -6.917 -9.177 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -17.022 -3.490 -8.987 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -17.078 -5.068 -8.195 1.00 0.58 H new ATOM 1123 N GLU A 69 -12.053 -5.303 -8.679 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.713 -4.979 -9.144 1.00 0.37 C ATOM 1125 C GLU A 69 -9.675 -5.631 -8.230 1.00 0.32 C ATOM 1126 O GLU A 69 -10.031 -6.347 -7.289 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.510 -3.462 -9.156 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.353 -2.729 -10.188 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.967 -3.082 -11.610 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -9.776 -2.932 -11.962 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.855 -3.487 -12.389 1.00 1.85 O ATOM 0 H GLU A 69 -12.357 -4.749 -7.878 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.591 -5.360 -10.158 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.743 -3.068 -8.167 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.458 -3.249 -9.345 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -12.404 -2.969 -10.030 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -11.246 -1.654 -10.042 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.400 -5.374 -8.495 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.330 -5.934 -7.677 1.00 0.30 C ATOM 1140 C ASP A 70 -6.883 -4.924 -6.631 1.00 0.22 C ATOM 1141 O ASP A 70 -6.853 -3.717 -6.895 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.137 -6.372 -8.532 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.066 -7.072 -7.710 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.385 -8.089 -7.055 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -3.911 -6.607 -7.713 1.00 1.10 O ATOM 0 H ASP A 70 -8.082 -4.785 -9.265 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.724 -6.818 -7.176 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.483 -7.041 -9.320 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.704 -5.500 -9.022 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.570 -5.428 -5.444 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.208 -4.596 -4.297 1.00 0.17 C ATOM 1152 C LEU A 71 -5.071 -3.625 -4.628 1.00 0.17 C ATOM 1153 O LEU A 71 -3.952 -4.025 -4.929 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.806 -5.489 -3.125 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.399 -4.754 -1.846 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.447 -3.720 -1.470 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.204 -5.747 -0.710 1.00 0.79 C ATOM 0 H LEU A 71 -6.559 -6.429 -5.246 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.080 -3.999 -4.029 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.640 -6.151 -2.893 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.975 -6.121 -3.440 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.456 -4.238 -2.026 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.141 -3.207 -0.558 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.549 -2.995 -2.278 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.404 -4.215 -1.304 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -4.915 -5.213 0.195 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.136 -6.284 -0.532 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.422 -6.457 -0.978 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.379 -2.344 -4.606 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.372 -1.320 -4.807 1.00 0.17 C ATOM 1171 C HIS A 72 -4.714 -0.081 -3.993 1.00 0.17 C ATOM 1172 O HIS A 72 -5.879 0.157 -3.683 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.240 -0.965 -6.290 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.481 -0.383 -6.917 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.403 -1.147 -7.594 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.921 0.898 -7.011 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.348 -0.366 -8.082 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.080 0.882 -7.750 1.00 0.29 N ATOM 0 H HIS A 72 -6.321 -1.986 -4.451 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.413 -1.712 -4.467 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.423 -0.252 -6.407 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.960 -1.863 -6.840 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.362 -2.160 -7.702 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.447 1.769 -6.584 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.200 -0.695 -8.658 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.720 0.729 -3.684 1.00 0.19 N ATOM 1188 CA VAL A 73 -3.968 1.955 -2.943 1.00 0.19 C ATOM 1189 C VAL A 73 -4.085 3.107 -3.925 1.00 0.20 C ATOM 1190 O VAL A 73 -3.223 3.298 -4.782 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.876 2.248 -1.884 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -2.904 1.195 -0.786 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.495 2.317 -2.514 1.00 0.29 C ATOM 0 H VAL A 73 -2.744 0.565 -3.930 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.900 1.833 -2.391 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.092 3.222 -1.445 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.131 1.416 -0.050 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -3.880 1.202 -0.300 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.722 0.212 -1.220 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.753 2.524 -1.743 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.265 1.365 -2.992 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.475 3.112 -3.260 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.177 3.838 -3.843 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.451 4.872 -4.815 1.00 0.18 C ATOM 1205 C LEU A 74 -5.668 6.207 -4.134 1.00 0.18 C ATOM 1206 O LEU A 74 -6.589 6.384 -3.343 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.650 4.449 -5.693 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.131 5.445 -6.761 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.996 4.728 -7.781 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.931 6.585 -6.149 1.00 0.80 C ATOM 0 H LEU A 74 -5.885 3.735 -3.116 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.589 4.999 -5.470 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.388 3.518 -6.195 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.490 4.231 -5.034 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.246 5.864 -7.241 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -8.334 5.439 -8.535 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.416 3.939 -8.260 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.860 4.290 -7.282 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.253 7.267 -6.936 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.805 6.182 -5.638 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -7.309 7.123 -5.434 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.790 7.135 -4.446 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.919 8.494 -3.983 1.00 0.18 C ATOM 1224 C ILE A 75 -5.858 9.248 -4.905 1.00 0.18 C ATOM 1225 O ILE A 75 -5.541 9.505 -6.069 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.554 9.206 -3.937 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.550 8.451 -4.809 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.056 9.333 -2.505 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.308 9.237 -5.121 1.00 0.30 C ATOM 0 H ILE A 75 -3.969 6.966 -5.027 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.321 8.475 -2.970 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.667 10.216 -4.332 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.267 7.527 -4.305 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.035 8.168 -5.744 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.091 9.839 -2.499 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.772 9.911 -1.921 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.948 8.340 -2.068 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.644 8.637 -5.743 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.579 10.148 -5.654 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.799 9.497 -4.193 1.00 0.30 H new ATOM 1241 N THR A 76 -7.021 9.570 -4.385 1.00 0.17 N ATOM 1242 CA THR A 76 -8.038 10.264 -5.142 1.00 0.20 C ATOM 1243 C THR A 76 -8.061 11.718 -4.731 1.00 0.19 C ATOM 1244 O THR A 76 -8.400 12.052 -3.596 1.00 0.22 O ATOM 1245 CB THR A 76 -9.425 9.649 -4.883 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.301 8.481 -4.064 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.104 9.271 -6.177 1.00 0.31 C ATOM 0 H THR A 76 -7.289 9.358 -3.424 1.00 0.17 H new ATOM 0 HA THR A 76 -7.804 10.173 -6.203 1.00 0.20 H new ATOM 0 HB THR A 76 -10.030 10.399 -4.373 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.514 8.709 -3.135 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.082 8.839 -5.962 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.228 10.160 -6.796 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.494 8.541 -6.708 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.705 12.584 -5.650 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.632 13.991 -5.346 1.00 0.25 C ATOM 1257 C VAL A 77 -8.628 14.775 -6.178 1.00 0.33 C ATOM 1258 O VAL A 77 -8.573 14.793 -7.409 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.207 14.547 -5.555 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.685 14.222 -6.938 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.178 16.041 -5.323 1.00 0.86 C ATOM 0 H VAL A 77 -7.463 12.339 -6.610 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.886 14.108 -4.292 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.555 14.065 -4.826 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.680 14.628 -7.052 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.657 13.141 -7.072 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -6.342 14.663 -7.688 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.165 16.413 -5.475 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.854 16.531 -6.024 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.494 16.257 -4.303 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.569 15.388 -5.487 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.556 16.233 -6.117 1.00 0.50 C ATOM 1273 C GLU A 78 -10.151 17.681 -5.928 1.00 0.63 C ATOM 1274 O GLU A 78 -10.422 18.290 -4.892 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.935 15.954 -5.523 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.381 14.518 -5.738 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.555 14.129 -4.871 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.707 14.377 -5.286 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -13.338 13.593 -3.768 1.00 1.63 O ATOM 0 H GLU A 78 -9.668 15.313 -4.475 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.610 16.022 -7.185 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.917 16.169 -4.455 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.664 16.629 -5.972 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.648 14.379 -6.786 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.546 13.849 -5.531 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.455 18.193 -6.929 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.882 19.532 -6.900 1.00 0.84 C ATOM 1288 C ASP A 79 -8.285 19.797 -8.273 1.00 0.75 C ATOM 1289 O ASP A 79 -8.486 18.989 -9.184 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.798 19.617 -5.813 1.00 1.20 C ATOM 1291 CG ASP A 79 -7.328 21.034 -5.539 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -8.038 21.778 -4.837 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -6.245 21.413 -6.024 1.00 1.81 O ATOM 0 H ASP A 79 -9.269 17.687 -7.795 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.643 20.277 -6.667 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.185 19.186 -4.890 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.944 19.011 -6.114 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.579 20.907 -8.440 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.856 21.161 -9.674 1.00 1.17 C ATOM 1300 C ALA A 80 -5.851 20.039 -9.906 1.00 1.09 C ATOM 1301 O ALA A 80 -6.096 19.160 -10.737 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.176 22.518 -9.636 1.00 1.85 C ATOM 0 H ALA A 80 -7.493 21.642 -7.738 1.00 0.91 H new ATOM 0 HA ALA A 80 -7.559 21.181 -10.507 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.642 22.684 -10.572 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.926 23.297 -9.504 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -5.471 22.549 -8.805 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.736 20.065 -9.156 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.796 18.937 -9.106 1.00 1.65 C ATOM 1310 C GLN A 81 -2.503 19.283 -8.360 1.00 0.98 C ATOM 1311 O GLN A 81 -2.115 18.568 -7.446 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.438 18.409 -10.508 1.00 2.75 C ATOM 1313 CG GLN A 81 -2.683 19.396 -11.384 1.00 3.72 C ATOM 1314 CD GLN A 81 -2.263 18.791 -12.704 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -2.974 18.898 -13.704 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -1.125 18.118 -12.705 1.00 5.39 N ATOM 0 H GLN A 81 -4.465 20.858 -8.575 1.00 1.04 H new ATOM 0 HA GLN A 81 -4.320 18.155 -8.556 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -2.836 17.507 -10.399 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -4.357 18.120 -11.018 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -3.311 20.267 -11.570 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.800 19.748 -10.851 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -0.568 18.056 -11.853 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -0.804 17.661 -13.558 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.884 20.410 -8.711 1.00 0.84 N ATOM 1326 CA ASN A 82 -0.460 20.643 -8.428 1.00 0.71 C ATOM 1327 C ASN A 82 -0.079 20.485 -6.952 1.00 0.59 C ATOM 1328 O ASN A 82 0.715 19.605 -6.606 1.00 0.56 O ATOM 1329 CB ASN A 82 -0.054 22.032 -8.918 1.00 1.13 C ATOM 1330 CG ASN A 82 1.418 22.319 -8.696 1.00 1.74 C ATOM 1331 OD1 ASN A 82 1.808 22.864 -7.666 1.00 2.48 O ATOM 1332 ND2 ASN A 82 2.244 21.968 -9.667 1.00 2.28 N ATOM 0 H ASN A 82 -2.345 21.181 -9.194 1.00 0.84 H new ATOM 0 HA ASN A 82 0.084 19.867 -8.967 1.00 0.71 H new ATOM 0 HB2 ASN A 82 -0.282 22.120 -9.980 1.00 1.13 H new ATOM 0 HB3 ASN A 82 -0.650 22.784 -8.401 1.00 1.13 H new ATOM 0 HD21 ASN A 82 3.244 22.148 -9.576 1.00 2.28 H new ATOM 0 HD22 ASN A 82 1.881 21.517 -10.507 1.00 2.28 H new ATOM 1339 N ARG A 83 -0.637 21.316 -6.083 1.00 0.65 N ATOM 1340 CA ARG A 83 -0.246 21.298 -4.677 1.00 0.63 C ATOM 1341 C ARG A 83 -0.810 20.073 -3.978 1.00 0.46 C ATOM 1342 O ARG A 83 -0.159 19.475 -3.115 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.702 22.574 -3.960 1.00 0.81 C ATOM 1344 CG ARG A 83 -0.504 22.521 -2.451 1.00 1.66 C ATOM 1345 CD ARG A 83 -0.779 23.861 -1.797 1.00 2.10 C ATOM 1346 NE ARG A 83 0.274 24.834 -2.083 1.00 2.64 N ATOM 1347 CZ ARG A 83 0.068 26.143 -2.179 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -1.161 26.635 -2.091 1.00 3.68 N ATOM 1349 NH2 ARG A 83 1.094 26.963 -2.372 1.00 4.17 N ATOM 0 H ARG A 83 -1.353 22.003 -6.320 1.00 0.65 H new ATOM 0 HA ARG A 83 0.842 21.254 -4.636 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -0.152 23.425 -4.362 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -1.757 22.746 -4.175 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -1.165 21.766 -2.024 1.00 1.66 H new ATOM 0 HG3 ARG A 83 0.518 22.212 -2.230 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -1.735 24.247 -2.149 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -0.867 23.727 -0.719 1.00 2.10 H new ATOM 0 HE ARG A 83 1.224 24.487 -2.217 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -1.953 26.008 -1.949 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -1.314 27.641 -2.165 1.00 3.68 H new ATOM 0 HH21 ARG A 83 2.040 26.588 -2.446 1.00 4.17 H new ATOM 0 HH22 ARG A 83 0.937 27.968 -2.446 1.00 4.17 H new ATOM 1363 N ALA A 84 -2.012 19.693 -4.365 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.685 18.570 -3.747 1.00 0.38 C ATOM 1365 C ALA A 84 -1.969 17.258 -4.054 1.00 0.29 C ATOM 1366 O ALA A 84 -1.714 16.467 -3.149 1.00 0.35 O ATOM 1367 CB ALA A 84 -4.132 18.522 -4.196 1.00 0.49 C ATOM 0 H ALA A 84 -2.543 20.148 -5.107 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.661 18.705 -2.666 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.631 17.674 -3.726 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.634 19.445 -3.905 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -4.173 18.412 -5.280 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.616 17.042 -5.322 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.923 15.821 -5.720 1.00 0.26 C ATOM 1375 C GLU A 85 0.462 15.770 -5.079 1.00 0.28 C ATOM 1376 O GLU A 85 0.973 14.700 -4.765 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.827 15.694 -7.248 1.00 0.34 C ATOM 1378 CG GLU A 85 0.187 16.623 -7.905 1.00 0.49 C ATOM 1379 CD GLU A 85 0.238 16.475 -9.416 1.00 0.79 C ATOM 1380 OE1 GLU A 85 0.769 15.457 -9.904 1.00 1.31 O ATOM 1381 OE2 GLU A 85 -0.278 17.368 -10.124 1.00 1.24 O ATOM 0 H GLU A 85 -1.798 17.694 -6.085 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.506 14.972 -5.364 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.570 14.664 -7.497 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.810 15.890 -7.677 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.059 17.655 -7.655 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.176 16.422 -7.492 1.00 0.49 H new ATOM 1388 N LEU A 86 1.064 16.934 -4.879 1.00 0.30 N ATOM 1389 CA LEU A 86 2.337 17.019 -4.180 1.00 0.36 C ATOM 1390 C LEU A 86 2.188 16.505 -2.747 1.00 0.28 C ATOM 1391 O LEU A 86 3.002 15.711 -2.253 1.00 0.28 O ATOM 1392 CB LEU A 86 2.825 18.469 -4.167 1.00 0.47 C ATOM 1393 CG LEU A 86 4.232 18.676 -3.607 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.265 18.004 -4.499 1.00 1.45 C ATOM 1395 CD2 LEU A 86 4.533 20.158 -3.458 1.00 1.47 C ATOM 0 H LEU A 86 0.691 17.831 -5.191 1.00 0.30 H new ATOM 0 HA LEU A 86 3.068 16.400 -4.700 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.796 18.855 -5.186 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.126 19.066 -3.581 1.00 0.47 H new ATOM 0 HG LEU A 86 4.282 18.216 -2.620 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.261 18.162 -4.085 1.00 1.45 H new ATOM 0 HD12 LEU A 86 5.059 16.935 -4.552 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.216 18.433 -5.500 1.00 1.45 H new ATOM 0 HD21 LEU A 86 5.539 20.287 -3.058 1.00 1.47 H new ATOM 0 HD22 LEU A 86 4.465 20.643 -4.432 1.00 1.47 H new ATOM 0 HD23 LEU A 86 3.811 20.609 -2.777 1.00 1.47 H new ATOM 1407 N LYS A 87 1.138 16.957 -2.082 1.00 0.24 N ATOM 1408 CA LYS A 87 0.913 16.596 -0.699 1.00 0.22 C ATOM 1409 C LYS A 87 0.478 15.132 -0.580 1.00 0.18 C ATOM 1410 O LYS A 87 0.903 14.428 0.337 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.112 17.538 -0.065 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.027 17.595 1.452 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.898 18.704 2.022 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.791 18.760 3.537 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.637 19.835 4.124 1.00 1.74 N ATOM 0 H LYS A 87 0.430 17.574 -2.480 1.00 0.24 H new ATOM 0 HA LYS A 87 1.851 16.702 -0.154 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.031 18.541 -0.467 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.114 17.219 -0.353 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.337 16.637 1.870 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.008 17.754 1.753 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.597 19.662 1.597 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.936 18.540 1.734 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.087 17.798 3.956 1.00 1.40 H new ATOM 0 HE3 LYS A 87 0.249 18.924 3.820 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.584 19.791 5.162 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -1.295 20.762 3.799 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -2.624 19.704 3.822 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.358 14.665 -1.510 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.805 13.276 -1.472 1.00 0.21 C ATOM 1431 C LEU A 88 0.322 12.315 -1.812 1.00 0.21 C ATOM 1432 O LEU A 88 0.373 11.222 -1.264 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.028 13.016 -2.377 1.00 0.30 C ATOM 1434 CG LEU A 88 -1.912 13.428 -3.853 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -1.050 12.466 -4.643 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.279 13.503 -4.492 1.00 1.33 C ATOM 0 H LEU A 88 -0.731 15.217 -2.282 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.119 13.091 -0.445 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.254 11.950 -2.341 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.883 13.538 -1.947 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.439 14.410 -3.871 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -0.995 12.795 -5.681 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -0.047 12.442 -4.216 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -1.486 11.468 -4.601 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.177 13.796 -5.537 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -3.762 12.527 -4.434 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -3.886 14.240 -3.966 1.00 1.33 H new ATOM 1448 N LYS A 89 1.230 12.712 -2.703 1.00 0.26 N ATOM 1449 CA LYS A 89 2.288 11.805 -3.130 1.00 0.31 C ATOM 1450 C LYS A 89 3.233 11.515 -1.978 1.00 0.29 C ATOM 1451 O LYS A 89 3.624 10.376 -1.784 1.00 0.30 O ATOM 1452 CB LYS A 89 3.060 12.347 -4.340 1.00 0.41 C ATOM 1453 CG LYS A 89 3.820 13.620 -4.048 1.00 0.47 C ATOM 1454 CD LYS A 89 4.531 14.164 -5.268 1.00 0.90 C ATOM 1455 CE LYS A 89 5.727 13.308 -5.663 1.00 1.05 C ATOM 1456 NZ LYS A 89 6.707 13.158 -4.550 1.00 2.07 N ATOM 0 H LYS A 89 1.254 13.636 -3.134 1.00 0.26 H new ATOM 0 HA LYS A 89 1.814 10.875 -3.442 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.760 11.586 -4.685 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.360 12.530 -5.156 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.129 14.373 -3.669 1.00 0.47 H new ATOM 0 HG3 LYS A 89 4.550 13.431 -3.261 1.00 0.47 H new ATOM 0 HD2 LYS A 89 3.831 14.215 -6.102 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.865 15.182 -5.069 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.379 12.323 -5.973 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.224 13.756 -6.524 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.650 12.959 -4.942 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 6.741 14.038 -3.996 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 6.415 12.372 -3.934 1.00 2.07 H new ATOM 1470 N ARG A 90 3.574 12.529 -1.191 1.00 0.27 N ATOM 1471 CA ARG A 90 4.459 12.297 -0.052 1.00 0.30 C ATOM 1472 C ARG A 90 3.760 11.438 0.996 1.00 0.25 C ATOM 1473 O ARG A 90 4.365 10.535 1.581 1.00 0.28 O ATOM 1474 CB ARG A 90 4.962 13.605 0.569 1.00 0.36 C ATOM 1475 CG ARG A 90 3.872 14.550 1.036 1.00 0.35 C ATOM 1476 CD ARG A 90 4.455 15.676 1.869 1.00 0.75 C ATOM 1477 NE ARG A 90 5.101 15.165 3.078 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.834 15.901 3.910 1.00 1.98 C ATOM 1479 NH1 ARG A 90 6.041 17.191 3.665 1.00 2.10 N ATOM 1480 NH2 ARG A 90 6.364 15.340 4.989 1.00 2.93 N ATOM 0 H ARG A 90 3.263 13.493 -1.313 1.00 0.27 H new ATOM 0 HA ARG A 90 5.334 11.764 -0.424 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.603 13.365 1.418 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.583 14.123 -0.162 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.349 14.963 0.174 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.136 14.001 1.623 1.00 0.35 H new ATOM 0 HD2 ARG A 90 5.180 16.233 1.275 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.665 16.374 2.144 1.00 0.75 H new ATOM 0 HE ARG A 90 4.981 14.176 3.299 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.637 17.624 2.834 1.00 2.10 H new ATOM 0 HH12 ARG A 90 6.604 17.748 4.308 1.00 2.10 H new ATOM 0 HH21 ARG A 90 6.209 14.350 5.177 1.00 2.93 H new ATOM 0 HH22 ARG A 90 6.927 15.899 5.630 1.00 2.93 H new ATOM 1494 N ALA A 91 2.476 11.706 1.203 1.00 0.22 N ATOM 1495 CA ALA A 91 1.676 10.947 2.154 1.00 0.23 C ATOM 1496 C ALA A 91 1.499 9.506 1.681 1.00 0.21 C ATOM 1497 O ALA A 91 1.655 8.558 2.449 1.00 0.24 O ATOM 1498 CB ALA A 91 0.323 11.615 2.341 1.00 0.26 C ATOM 0 H ALA A 91 1.966 12.447 0.722 1.00 0.22 H new ATOM 0 HA ALA A 91 2.196 10.928 3.112 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.270 11.042 3.054 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.466 12.627 2.719 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.198 11.655 1.385 1.00 0.26 H new ATOM 1504 N VAL A 92 1.189 9.355 0.404 1.00 0.18 N ATOM 1505 CA VAL A 92 0.981 8.047 -0.189 1.00 0.19 C ATOM 1506 C VAL A 92 2.299 7.289 -0.287 1.00 0.22 C ATOM 1507 O VAL A 92 2.318 6.063 -0.275 1.00 0.24 O ATOM 1508 CB VAL A 92 0.310 8.152 -1.576 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.316 8.502 -2.663 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.421 6.865 -1.902 1.00 0.26 C ATOM 0 H VAL A 92 1.075 10.132 -0.247 1.00 0.18 H new ATOM 0 HA VAL A 92 0.306 7.492 0.462 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.415 8.965 -1.539 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.806 8.567 -3.624 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.781 9.461 -2.434 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.083 7.729 -2.711 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.890 6.951 -2.882 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.287 6.036 -1.910 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.187 6.681 -1.148 1.00 0.26 H new ATOM 1520 N GLU A 93 3.397 8.024 -0.400 1.00 0.25 N ATOM 1521 CA GLU A 93 4.722 7.429 -0.365 1.00 0.31 C ATOM 1522 C GLU A 93 4.968 6.757 0.983 1.00 0.31 C ATOM 1523 O GLU A 93 5.619 5.707 1.067 1.00 0.33 O ATOM 1524 CB GLU A 93 5.783 8.492 -0.646 1.00 0.39 C ATOM 1525 CG GLU A 93 6.053 8.711 -2.128 1.00 0.71 C ATOM 1526 CD GLU A 93 6.959 9.899 -2.389 1.00 1.14 C ATOM 1527 OE1 GLU A 93 8.138 9.872 -1.960 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.499 10.870 -3.021 1.00 1.61 O ATOM 0 H GLU A 93 3.394 9.037 -0.517 1.00 0.25 H new ATOM 0 HA GLU A 93 4.787 6.666 -1.140 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.467 9.435 -0.200 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.713 8.203 -0.155 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.508 7.813 -2.547 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.106 8.860 -2.647 1.00 0.71 H new ATOM 1535 N GLU A 94 4.429 7.353 2.038 1.00 0.31 N ATOM 1536 CA GLU A 94 4.484 6.736 3.353 1.00 0.34 C ATOM 1537 C GLU A 94 3.696 5.436 3.330 1.00 0.29 C ATOM 1538 O GLU A 94 4.121 4.427 3.894 1.00 0.29 O ATOM 1539 CB GLU A 94 3.934 7.682 4.420 1.00 0.42 C ATOM 1540 CG GLU A 94 4.771 8.937 4.607 1.00 0.90 C ATOM 1541 CD GLU A 94 4.206 9.859 5.665 1.00 1.40 C ATOM 1542 OE1 GLU A 94 4.059 9.421 6.828 1.00 1.62 O ATOM 1543 OE2 GLU A 94 3.895 11.024 5.339 1.00 2.09 O ATOM 0 H GLU A 94 3.953 8.255 2.009 1.00 0.31 H new ATOM 0 HA GLU A 94 5.523 6.522 3.604 1.00 0.34 H new ATOM 0 HB2 GLU A 94 2.918 7.969 4.150 1.00 0.42 H new ATOM 0 HB3 GLU A 94 3.874 7.150 5.370 1.00 0.42 H new ATOM 0 HG2 GLU A 94 5.787 8.654 4.881 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.834 9.472 3.660 1.00 0.90 H new ATOM 1550 N VAL A 95 2.562 5.461 2.636 1.00 0.28 N ATOM 1551 CA VAL A 95 1.760 4.263 2.433 1.00 0.26 C ATOM 1552 C VAL A 95 2.506 3.257 1.563 1.00 0.25 C ATOM 1553 O VAL A 95 2.377 2.059 1.763 1.00 0.26 O ATOM 1554 CB VAL A 95 0.397 4.580 1.778 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.426 3.308 1.608 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.369 5.606 2.602 1.00 0.62 C ATOM 0 H VAL A 95 2.178 6.302 2.204 1.00 0.28 H new ATOM 0 HA VAL A 95 1.578 3.838 3.420 1.00 0.26 H new ATOM 0 HB VAL A 95 0.583 5.003 0.791 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -1.382 3.552 1.145 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.115 2.606 0.973 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.601 2.855 2.584 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.326 5.816 2.124 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.542 5.212 3.604 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.212 6.526 2.669 1.00 0.62 H new ATOM 1566 N LYS A 96 3.289 3.749 0.603 1.00 0.26 N ATOM 1567 CA LYS A 96 4.089 2.874 -0.252 1.00 0.30 C ATOM 1568 C LYS A 96 4.983 1.975 0.589 1.00 0.33 C ATOM 1569 O LYS A 96 5.236 0.825 0.234 1.00 0.39 O ATOM 1570 CB LYS A 96 4.969 3.667 -1.225 1.00 0.36 C ATOM 1571 CG LYS A 96 4.208 4.450 -2.280 1.00 0.88 C ATOM 1572 CD LYS A 96 5.166 5.041 -3.302 1.00 1.20 C ATOM 1573 CE LYS A 96 4.456 5.972 -4.268 1.00 1.69 C ATOM 1574 NZ LYS A 96 5.374 6.489 -5.318 1.00 2.00 N ATOM 0 H LYS A 96 3.386 4.744 0.399 1.00 0.26 H new ATOM 0 HA LYS A 96 3.385 2.273 -0.828 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.585 4.360 -0.653 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.647 2.976 -1.725 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.492 3.797 -2.779 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.635 5.247 -1.806 1.00 0.88 H new ATOM 0 HD2 LYS A 96 5.956 5.586 -2.786 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.645 4.236 -3.859 1.00 1.20 H new ATOM 0 HE2 LYS A 96 3.627 5.443 -4.739 1.00 1.69 H new ATOM 0 HE3 LYS A 96 4.028 6.809 -3.717 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.850 7.121 -5.957 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 6.151 7.016 -4.871 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 5.763 5.692 -5.861 1.00 2.00 H new ATOM 1588 N LYS A 97 5.480 2.506 1.698 1.00 0.33 N ATOM 1589 CA LYS A 97 6.336 1.725 2.570 1.00 0.39 C ATOM 1590 C LYS A 97 5.517 0.795 3.454 1.00 0.35 C ATOM 1591 O LYS A 97 5.923 -0.339 3.713 1.00 0.45 O ATOM 1592 CB LYS A 97 7.243 2.635 3.399 1.00 0.49 C ATOM 1593 CG LYS A 97 8.319 1.882 4.172 1.00 1.09 C ATOM 1594 CD LYS A 97 9.638 2.648 4.198 1.00 1.89 C ATOM 1595 CE LYS A 97 9.543 3.943 4.992 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.226 3.699 6.424 1.00 3.43 N ATOM 0 H LYS A 97 5.306 3.462 2.009 1.00 0.33 H new ATOM 0 HA LYS A 97 6.976 1.100 1.947 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.721 3.358 2.738 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.632 3.201 4.102 1.00 0.49 H new ATOM 0 HG2 LYS A 97 7.979 1.709 5.193 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.476 0.904 3.718 1.00 1.09 H new ATOM 0 HD2 LYS A 97 10.413 2.016 4.631 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.944 2.873 3.176 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.486 4.484 4.917 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.775 4.580 4.555 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 9.386 4.571 6.968 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 8.231 3.411 6.515 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 9.840 2.944 6.792 1.00 3.43 H new ATOM 1610 N LEU A 98 4.364 1.275 3.910 1.00 0.30 N ATOM 1611 CA LEU A 98 3.413 0.420 4.617 1.00 0.33 C ATOM 1612 C LEU A 98 2.931 -0.681 3.695 1.00 0.27 C ATOM 1613 O LEU A 98 2.560 -1.755 4.131 1.00 0.35 O ATOM 1614 CB LEU A 98 2.214 1.230 5.129 1.00 0.45 C ATOM 1615 CG LEU A 98 2.346 1.804 6.541 1.00 0.83 C ATOM 1616 CD1 LEU A 98 2.596 0.687 7.540 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.451 2.843 6.607 1.00 1.29 C ATOM 0 H LEU A 98 4.066 2.245 3.804 1.00 0.30 H new ATOM 0 HA LEU A 98 3.921 -0.017 5.477 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.036 2.054 4.438 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.330 0.592 5.099 1.00 0.45 H new ATOM 0 HG LEU A 98 1.410 2.299 6.799 1.00 0.83 H new ATOM 0 HD11 LEU A 98 2.688 1.108 8.541 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.763 -0.015 7.517 1.00 1.70 H new ATOM 0 HD13 LEU A 98 3.517 0.165 7.280 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.523 3.234 7.622 1.00 1.29 H new ATOM 0 HD22 LEU A 98 4.399 2.384 6.327 1.00 1.29 H new ATOM 0 HD23 LEU A 98 3.226 3.658 5.919 1.00 1.29 H new ATOM 1629 N LEU A 99 2.992 -0.414 2.411 1.00 0.21 N ATOM 1630 CA LEU A 99 2.531 -1.344 1.409 1.00 0.22 C ATOM 1631 C LEU A 99 3.321 -2.621 1.425 1.00 0.25 C ATOM 1632 O LEU A 99 2.763 -3.699 1.511 1.00 0.43 O ATOM 1633 CB LEU A 99 2.669 -0.728 0.027 1.00 0.36 C ATOM 1634 CG LEU A 99 1.415 -0.059 -0.471 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.604 0.519 -1.865 1.00 1.29 C ATOM 1636 CD2 LEU A 99 0.342 -1.102 -0.447 1.00 1.30 C ATOM 0 H LEU A 99 3.364 0.457 2.032 1.00 0.21 H new ATOM 0 HA LEU A 99 1.488 -1.566 1.637 1.00 0.22 H new ATOM 0 HB2 LEU A 99 3.477 0.004 0.045 1.00 0.36 H new ATOM 0 HB3 LEU A 99 2.959 -1.506 -0.679 1.00 0.36 H new ATOM 0 HG LEU A 99 1.148 0.787 0.162 1.00 0.38 H new ATOM 0 HD11 LEU A 99 0.678 0.993 -2.191 1.00 1.29 H new ATOM 0 HD12 LEU A 99 2.404 1.259 -1.847 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.865 -0.281 -2.558 1.00 1.29 H new ATOM 0 HD21 LEU A 99 -0.594 -0.669 -0.800 1.00 1.30 H new ATOM 0 HD22 LEU A 99 0.626 -1.931 -1.095 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.212 -1.466 0.572 1.00 1.30 H new ATOM 1648 N VAL A 100 4.616 -2.484 1.380 1.00 0.32 N ATOM 1649 CA VAL A 100 5.488 -3.608 1.151 1.00 0.36 C ATOM 1650 C VAL A 100 5.255 -4.713 2.187 1.00 0.37 C ATOM 1651 O VAL A 100 5.208 -4.442 3.392 1.00 0.45 O ATOM 1652 CB VAL A 100 6.957 -3.143 1.175 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.924 -4.313 1.099 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.223 -2.161 0.043 1.00 1.29 C ATOM 0 H VAL A 100 5.099 -1.594 1.500 1.00 0.32 H new ATOM 0 HA VAL A 100 5.262 -4.024 0.169 1.00 0.36 H new ATOM 0 HB VAL A 100 7.124 -2.641 2.128 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.948 -3.940 1.119 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.762 -4.975 1.950 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.756 -4.864 0.174 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.265 -1.843 0.075 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.020 -2.644 -0.913 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.575 -1.292 0.155 1.00 1.29 H new ATOM 1664 N PRO A 101 5.098 -5.970 1.711 1.00 0.39 N ATOM 1665 CA PRO A 101 4.775 -7.135 2.551 1.00 0.49 C ATOM 1666 C PRO A 101 5.701 -7.271 3.759 1.00 0.65 C ATOM 1667 O PRO A 101 5.322 -7.858 4.773 1.00 0.88 O ATOM 1668 CB PRO A 101 4.936 -8.331 1.595 1.00 0.64 C ATOM 1669 CG PRO A 101 5.656 -7.789 0.408 1.00 0.60 C ATOM 1670 CD PRO A 101 5.224 -6.358 0.301 1.00 0.45 C ATOM 0 HA PRO A 101 3.777 -7.055 2.981 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.501 -9.137 2.064 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.967 -8.743 1.313 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.736 -7.865 0.535 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.401 -8.345 -0.494 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.958 -5.749 -0.226 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.281 -6.256 -0.236 1.00 0.45 H new ATOM 1735 N ASP A 107 9.715 -17.833 0.152 1.00 9.76 N ATOM 1736 CA ASP A 107 10.307 -18.797 1.097 1.00 10.43 C ATOM 1737 C ASP A 107 10.395 -18.248 2.517 1.00 10.48 C ATOM 1738 O ASP A 107 10.343 -19.007 3.487 1.00 11.15 O ATOM 1739 CB ASP A 107 11.682 -19.281 0.625 1.00 10.67 C ATOM 1740 CG ASP A 107 11.578 -20.405 -0.388 1.00 11.41 C ATOM 1741 OD1 ASP A 107 11.515 -20.112 -1.598 1.00 11.98 O ATOM 1742 OD2 ASP A 107 11.558 -21.587 0.019 1.00 11.57 O ATOM 0 HA ASP A 107 9.630 -19.651 1.119 1.00 10.43 H new ATOM 0 HB2 ASP A 107 12.227 -18.446 0.184 1.00 10.67 H new ATOM 0 HB3 ASP A 107 12.260 -19.621 1.484 1.00 10.67 H new ATOM 1747 N SER A 108 10.499 -16.941 2.634 1.00 9.96 N ATOM 1748 CA SER A 108 10.546 -16.281 3.921 1.00 10.24 C ATOM 1749 C SER A 108 9.236 -16.505 4.670 1.00 10.41 C ATOM 1750 O SER A 108 9.222 -16.617 5.889 1.00 11.07 O ATOM 1751 CB SER A 108 10.822 -14.794 3.710 1.00 9.88 C ATOM 1752 OG SER A 108 11.157 -14.145 4.922 1.00 10.00 O ATOM 0 H SER A 108 10.553 -16.306 1.838 1.00 9.96 H new ATOM 0 HA SER A 108 11.349 -16.700 4.527 1.00 10.24 H new ATOM 0 HB2 SER A 108 11.636 -14.673 2.996 1.00 9.88 H new ATOM 0 HB3 SER A 108 9.943 -14.319 3.274 1.00 9.88 H new ATOM 0 HG SER A 108 10.343 -13.985 5.443 1.00 10.00 H new ATOM 1758 N LEU A 109 8.145 -16.612 3.924 1.00 10.02 N ATOM 1759 CA LEU A 109 6.834 -16.913 4.498 1.00 10.41 C ATOM 1760 C LEU A 109 6.879 -18.216 5.293 1.00 11.26 C ATOM 1761 O LEU A 109 6.240 -18.346 6.336 1.00 11.94 O ATOM 1762 CB LEU A 109 5.793 -17.024 3.384 1.00 10.12 C ATOM 1763 CG LEU A 109 5.537 -15.730 2.610 1.00 9.48 C ATOM 1764 CD1 LEU A 109 4.851 -16.027 1.286 1.00 9.47 C ATOM 1765 CD2 LEU A 109 4.703 -14.770 3.444 1.00 9.65 C ATOM 0 H LEU A 109 8.139 -16.494 2.911 1.00 10.02 H new ATOM 0 HA LEU A 109 6.559 -16.103 5.173 1.00 10.41 H new ATOM 0 HB2 LEU A 109 6.115 -17.793 2.681 1.00 10.12 H new ATOM 0 HB3 LEU A 109 4.852 -17.363 3.818 1.00 10.12 H new ATOM 0 HG LEU A 109 6.496 -15.257 2.398 1.00 9.48 H new ATOM 0 HD11 LEU A 109 4.677 -15.094 0.749 1.00 9.47 H new ATOM 0 HD12 LEU A 109 5.486 -16.678 0.685 1.00 9.47 H new ATOM 0 HD13 LEU A 109 3.898 -16.521 1.473 1.00 9.47 H new ATOM 0 HD21 LEU A 109 4.529 -13.854 2.879 1.00 9.65 H new ATOM 0 HD22 LEU A 109 3.747 -15.234 3.685 1.00 9.65 H new ATOM 0 HD23 LEU A 109 5.234 -14.533 4.366 1.00 9.65 H new ATOM 1777 N LYS A 110 7.659 -19.165 4.797 1.00 11.40 N ATOM 1778 CA LYS A 110 7.791 -20.462 5.436 1.00 12.34 C ATOM 1779 C LYS A 110 8.731 -20.368 6.632 1.00 12.93 C ATOM 1780 O LYS A 110 8.391 -20.781 7.741 1.00 13.70 O ATOM 1781 CB LYS A 110 8.329 -21.480 4.429 1.00 12.53 C ATOM 1782 CG LYS A 110 8.359 -22.903 4.954 1.00 12.99 C ATOM 1783 CD LYS A 110 6.954 -23.442 5.161 1.00 13.18 C ATOM 1784 CE LYS A 110 6.972 -24.839 5.752 1.00 13.26 C ATOM 1785 NZ LYS A 110 5.611 -25.428 5.802 1.00 13.83 N ATOM 0 H LYS A 110 8.213 -19.058 3.947 1.00 11.40 H new ATOM 0 HA LYS A 110 6.811 -20.785 5.786 1.00 12.34 H new ATOM 0 HB2 LYS A 110 7.714 -21.447 3.530 1.00 12.53 H new ATOM 0 HB3 LYS A 110 9.338 -21.189 4.136 1.00 12.53 H new ATOM 0 HG2 LYS A 110 8.896 -23.541 4.252 1.00 12.99 H new ATOM 0 HG3 LYS A 110 8.906 -22.934 5.896 1.00 12.99 H new ATOM 0 HD2 LYS A 110 6.401 -22.774 5.822 1.00 13.18 H new ATOM 0 HD3 LYS A 110 6.425 -23.457 4.208 1.00 13.18 H new ATOM 0 HE2 LYS A 110 7.624 -25.478 5.157 1.00 13.26 H new ATOM 0 HE3 LYS A 110 7.391 -24.804 6.758 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 5.661 -26.383 6.211 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 4.996 -24.831 6.390 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 5.221 -25.484 4.839 1.00 13.83 H new ATOM 1799 N LYS A 111 9.910 -19.807 6.394 1.00 12.70 N ATOM 1800 CA LYS A 111 10.946 -19.716 7.417 1.00 13.45 C ATOM 1801 C LYS A 111 10.496 -18.834 8.578 1.00 13.69 C ATOM 1802 O LYS A 111 10.703 -19.166 9.749 1.00 14.58 O ATOM 1803 CB LYS A 111 12.235 -19.154 6.813 1.00 13.35 C ATOM 1804 CG LYS A 111 12.715 -19.884 5.567 1.00 13.65 C ATOM 1805 CD LYS A 111 12.977 -21.360 5.827 1.00 14.12 C ATOM 1806 CE LYS A 111 13.571 -22.037 4.601 1.00 14.42 C ATOM 1807 NZ LYS A 111 13.793 -23.488 4.821 1.00 14.52 N ATOM 0 H LYS A 111 10.174 -19.405 5.495 1.00 12.70 H new ATOM 0 HA LYS A 111 11.131 -20.720 7.798 1.00 13.45 H new ATOM 0 HB2 LYS A 111 12.079 -18.104 6.567 1.00 13.35 H new ATOM 0 HB3 LYS A 111 13.021 -19.191 7.567 1.00 13.35 H new ATOM 0 HG2 LYS A 111 11.968 -19.783 4.779 1.00 13.65 H new ATOM 0 HG3 LYS A 111 13.628 -19.414 5.202 1.00 13.65 H new ATOM 0 HD2 LYS A 111 13.658 -21.468 6.671 1.00 14.12 H new ATOM 0 HD3 LYS A 111 12.046 -21.854 6.103 1.00 14.12 H new ATOM 0 HE2 LYS A 111 12.904 -21.897 3.750 1.00 14.42 H new ATOM 0 HE3 LYS A 111 14.517 -21.560 4.346 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 14.199 -23.911 3.962 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 14.450 -23.622 5.616 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 12.887 -23.949 5.039 1.00 14.52 H new ATOM 1821 N MET A 112 9.863 -17.716 8.245 1.00 13.03 N ATOM 1822 CA MET A 112 9.432 -16.750 9.245 1.00 13.43 C ATOM 1823 C MET A 112 8.264 -17.263 10.068 1.00 13.93 C ATOM 1824 O MET A 112 8.033 -16.791 11.170 1.00 14.71 O ATOM 1825 CB MET A 112 9.077 -15.404 8.606 1.00 12.78 C ATOM 1826 CG MET A 112 10.285 -14.643 8.077 1.00 12.65 C ATOM 1827 SD MET A 112 9.861 -13.005 7.448 1.00 12.08 S ATOM 1828 CE MET A 112 9.230 -12.222 8.932 1.00 12.60 C ATOM 0 H MET A 112 9.636 -17.456 7.285 1.00 13.03 H new ATOM 0 HA MET A 112 10.277 -16.603 9.918 1.00 13.43 H new ATOM 0 HB2 MET A 112 8.378 -15.573 7.787 1.00 12.78 H new ATOM 0 HB3 MET A 112 8.563 -14.786 9.342 1.00 12.78 H new ATOM 0 HG2 MET A 112 11.022 -14.541 8.874 1.00 12.65 H new ATOM 0 HG3 MET A 112 10.754 -15.222 7.281 1.00 12.65 H new ATOM 0 HE1 MET A 112 9.604 -11.200 8.991 1.00 12.60 H new ATOM 0 HE2 MET A 112 8.141 -12.208 8.901 1.00 12.60 H new ATOM 0 HE3 MET A 112 9.561 -12.781 9.807 1.00 12.60 H new ATOM 1838 N LYS A 113 7.514 -18.215 9.544 1.00 13.65 N ATOM 1839 CA LYS A 113 6.443 -18.815 10.326 1.00 14.28 C ATOM 1840 C LYS A 113 7.017 -19.746 11.388 1.00 15.23 C ATOM 1841 O LYS A 113 6.491 -19.846 12.495 1.00 16.03 O ATOM 1842 CB LYS A 113 5.460 -19.569 9.428 1.00 13.94 C ATOM 1843 CG LYS A 113 4.023 -19.060 9.526 1.00 14.60 C ATOM 1844 CD LYS A 113 3.176 -19.863 10.518 1.00 15.23 C ATOM 1845 CE LYS A 113 3.673 -19.761 11.956 1.00 16.15 C ATOM 1846 NZ LYS A 113 2.800 -20.508 12.902 1.00 16.72 N ATOM 0 H LYS A 113 7.621 -18.585 8.600 1.00 13.65 H new ATOM 0 HA LYS A 113 5.897 -18.012 10.822 1.00 14.28 H new ATOM 0 HB2 LYS A 113 5.794 -19.491 8.393 1.00 13.94 H new ATOM 0 HB3 LYS A 113 5.480 -20.627 9.690 1.00 13.94 H new ATOM 0 HG2 LYS A 113 4.033 -18.013 9.828 1.00 14.60 H new ATOM 0 HG3 LYS A 113 3.559 -19.103 8.541 1.00 14.60 H new ATOM 0 HD2 LYS A 113 2.145 -19.513 10.472 1.00 15.23 H new ATOM 0 HD3 LYS A 113 3.171 -20.910 10.216 1.00 15.23 H new ATOM 0 HE2 LYS A 113 4.689 -20.150 12.017 1.00 16.15 H new ATOM 0 HE3 LYS A 113 3.715 -18.713 12.252 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 3.173 -20.413 13.868 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 1.836 -20.121 12.864 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 2.780 -21.513 12.636 1.00 16.72 H new ATOM 1860 N LEU A 114 8.113 -20.409 11.062 1.00 15.27 N ATOM 1861 CA LEU A 114 8.662 -21.414 11.950 1.00 16.25 C ATOM 1862 C LEU A 114 9.557 -20.795 13.022 1.00 16.89 C ATOM 1863 O LEU A 114 9.241 -20.850 14.211 1.00 17.72 O ATOM 1864 CB LEU A 114 9.451 -22.453 11.150 1.00 16.24 C ATOM 1865 CG LEU A 114 8.649 -23.210 10.086 1.00 16.63 C ATOM 1866 CD1 LEU A 114 9.554 -24.144 9.301 1.00 17.08 C ATOM 1867 CD2 LEU A 114 7.516 -23.994 10.728 1.00 16.95 C ATOM 0 H LEU A 114 8.635 -20.270 10.197 1.00 15.27 H new ATOM 0 HA LEU A 114 7.825 -21.900 12.452 1.00 16.25 H new ATOM 0 HB2 LEU A 114 10.288 -21.953 10.662 1.00 16.24 H new ATOM 0 HB3 LEU A 114 9.874 -23.178 11.846 1.00 16.24 H new ATOM 0 HG LEU A 114 8.221 -22.481 9.399 1.00 16.63 H new ATOM 0 HD11 LEU A 114 8.967 -24.673 8.550 1.00 17.08 H new ATOM 0 HD12 LEU A 114 10.336 -23.565 8.809 1.00 17.08 H new ATOM 0 HD13 LEU A 114 10.009 -24.865 9.980 1.00 17.08 H new ATOM 0 HD21 LEU A 114 6.958 -24.525 9.957 1.00 16.95 H new ATOM 0 HD22 LEU A 114 7.927 -24.712 11.438 1.00 16.95 H new ATOM 0 HD23 LEU A 114 6.849 -23.308 11.251 1.00 16.95 H new ATOM 1879 N MET A 115 10.680 -20.225 12.603 1.00 16.60 N ATOM 1880 CA MET A 115 11.649 -19.680 13.548 1.00 17.37 C ATOM 1881 C MET A 115 11.490 -18.168 13.719 1.00 17.30 C ATOM 1882 O MET A 115 11.363 -17.670 14.839 1.00 18.16 O ATOM 1883 CB MET A 115 13.071 -20.034 13.098 1.00 17.40 C ATOM 1884 CG MET A 115 14.132 -19.852 14.178 1.00 18.36 C ATOM 1885 SD MET A 115 14.619 -18.134 14.423 1.00 18.37 S ATOM 1886 CE MET A 115 15.274 -17.744 12.801 1.00 17.17 C ATOM 0 H MET A 115 10.942 -20.128 11.622 1.00 16.60 H new ATOM 0 HA MET A 115 11.461 -20.131 14.522 1.00 17.37 H new ATOM 0 HB2 MET A 115 13.086 -21.070 12.761 1.00 17.40 H new ATOM 0 HB3 MET A 115 13.333 -19.416 12.239 1.00 17.40 H new ATOM 0 HG2 MET A 115 13.754 -20.252 15.119 1.00 18.36 H new ATOM 0 HG3 MET A 115 15.013 -20.437 13.914 1.00 18.36 H new ATOM 0 HE1 MET A 115 15.926 -16.873 12.872 1.00 17.17 H new ATOM 0 HE2 MET A 115 15.844 -18.594 12.425 1.00 17.17 H new ATOM 0 HE3 MET A 115 14.452 -17.528 12.119 1.00 17.17 H new ATOM 1896 N GLU A 116 11.467 -17.452 12.594 1.00 16.38 N ATOM 1897 CA GLU A 116 11.487 -15.983 12.586 1.00 16.41 C ATOM 1898 C GLU A 116 10.252 -15.381 13.257 1.00 16.77 C ATOM 1899 O GLU A 116 10.203 -14.176 13.505 1.00 17.19 O ATOM 1900 CB GLU A 116 11.582 -15.464 11.153 1.00 15.41 C ATOM 1901 CG GLU A 116 12.752 -16.029 10.359 1.00 15.12 C ATOM 1902 CD GLU A 116 14.041 -15.256 10.563 1.00 15.91 C ATOM 1903 OE1 GLU A 116 14.338 -14.897 11.725 1.00 16.27 O ATOM 1904 OE2 GLU A 116 14.765 -15.015 9.576 1.00 16.29 O ATOM 0 H GLU A 116 11.434 -17.869 11.664 1.00 16.38 H new ATOM 0 HA GLU A 116 12.363 -15.676 13.156 1.00 16.41 H new ATOM 0 HB2 GLU A 116 10.655 -15.701 10.631 1.00 15.41 H new ATOM 0 HB3 GLU A 116 11.665 -14.377 11.177 1.00 15.41 H new ATOM 0 HG2 GLU A 116 12.910 -17.068 10.647 1.00 15.12 H new ATOM 0 HG3 GLU A 116 12.498 -16.027 9.299 1.00 15.12 H new ATOM 1911 N LEU A 117 9.259 -16.222 13.528 1.00 16.72 N ATOM 1912 CA LEU A 117 7.989 -15.779 14.101 1.00 17.21 C ATOM 1913 C LEU A 117 8.226 -15.092 15.446 1.00 18.39 C ATOM 1914 O LEU A 117 7.500 -14.166 15.814 1.00 18.98 O ATOM 1915 CB LEU A 117 7.047 -16.989 14.253 1.00 17.03 C ATOM 1916 CG LEU A 117 5.540 -16.710 14.092 1.00 17.18 C ATOM 1917 CD1 LEU A 117 4.972 -16.025 15.326 1.00 18.26 C ATOM 1918 CD2 LEU A 117 5.282 -15.867 12.851 1.00 16.60 C ATOM 0 H LEU A 117 9.310 -17.226 13.358 1.00 16.72 H new ATOM 0 HA LEU A 117 7.521 -15.054 13.435 1.00 17.21 H new ATOM 0 HB2 LEU A 117 7.335 -17.741 13.518 1.00 17.03 H new ATOM 0 HB3 LEU A 117 7.210 -17.427 15.238 1.00 17.03 H new ATOM 0 HG LEU A 117 5.033 -17.668 13.975 1.00 17.18 H new ATOM 0 HD11 LEU A 117 3.907 -15.841 15.182 1.00 18.26 H new ATOM 0 HD12 LEU A 117 5.116 -16.665 16.196 1.00 18.26 H new ATOM 0 HD13 LEU A 117 5.486 -15.077 15.485 1.00 18.26 H new ATOM 0 HD21 LEU A 117 4.213 -15.680 12.754 1.00 16.60 H new ATOM 0 HD22 LEU A 117 5.810 -14.917 12.940 1.00 16.60 H new ATOM 0 HD23 LEU A 117 5.639 -16.399 11.969 1.00 16.60 H new ATOM 1930 N ALA A 118 9.252 -15.558 16.162 1.00 18.81 N ATOM 1931 CA ALA A 118 9.699 -14.929 17.403 1.00 19.94 C ATOM 1932 C ALA A 118 8.614 -15.004 18.461 1.00 20.25 C ATOM 1933 O ALA A 118 8.160 -13.990 18.993 1.00 20.88 O ATOM 1934 CB ALA A 118 10.131 -13.485 17.163 1.00 20.42 C ATOM 0 H ALA A 118 9.794 -16.380 15.897 1.00 18.81 H new ATOM 0 HA ALA A 118 10.568 -15.478 17.767 1.00 19.94 H new ATOM 0 HB1 ALA A 118 10.459 -13.042 18.104 1.00 20.42 H new ATOM 0 HB2 ALA A 118 10.953 -13.465 16.447 1.00 20.42 H new ATOM 0 HB3 ALA A 118 9.291 -12.915 16.767 1.00 20.42 H new ATOM 1940 N ILE A 119 8.196 -16.223 18.748 1.00 19.90 N ATOM 1941 CA ILE A 119 7.149 -16.464 19.723 1.00 20.25 C ATOM 1942 C ILE A 119 7.622 -16.113 21.131 1.00 21.12 C ATOM 1943 O ILE A 119 8.827 -16.042 21.398 1.00 21.13 O ATOM 1944 CB ILE A 119 6.651 -17.931 19.693 1.00 20.40 C ATOM 1945 CG1 ILE A 119 7.639 -18.900 20.375 1.00 20.16 C ATOM 1946 CG2 ILE A 119 6.377 -18.367 18.260 1.00 20.03 C ATOM 1947 CD1 ILE A 119 8.964 -19.087 19.655 1.00 20.59 C ATOM 0 H ILE A 119 8.569 -17.068 18.315 1.00 19.90 H new ATOM 0 HA ILE A 119 6.315 -15.817 19.451 1.00 20.25 H new ATOM 0 HB ILE A 119 5.722 -17.969 20.263 1.00 20.40 H new ATOM 0 HG12 ILE A 119 7.840 -18.538 21.383 1.00 20.16 H new ATOM 0 HG13 ILE A 119 7.158 -19.873 20.475 1.00 20.16 H new ATOM 0 HG21 ILE A 119 6.028 -19.400 18.254 1.00 20.03 H new ATOM 0 HG22 ILE A 119 5.613 -17.723 17.824 1.00 20.03 H new ATOM 0 HG23 ILE A 119 7.293 -18.291 17.675 1.00 20.03 H new ATOM 0 HD11 ILE A 119 9.586 -19.786 20.214 1.00 20.59 H new ATOM 0 HD12 ILE A 119 8.782 -19.482 18.656 1.00 20.59 H new ATOM 0 HD13 ILE A 119 9.475 -18.127 19.578 1.00 20.59 H new ATOM 1959 N LEU A 120 6.672 -15.904 22.028 1.00 21.92 N ATOM 1960 CA LEU A 120 6.988 -15.487 23.385 1.00 22.85 C ATOM 1961 C LEU A 120 7.537 -16.656 24.190 1.00 23.12 C ATOM 1962 O LEU A 120 6.788 -17.417 24.800 1.00 23.32 O ATOM 1963 CB LEU A 120 5.762 -14.886 24.086 1.00 23.66 C ATOM 1964 CG LEU A 120 5.357 -13.478 23.630 1.00 23.95 C ATOM 1965 CD1 LEU A 120 6.546 -12.533 23.696 1.00 23.98 C ATOM 1966 CD2 LEU A 120 4.764 -13.502 22.228 1.00 23.52 C ATOM 0 H LEU A 120 5.676 -16.016 21.841 1.00 21.92 H new ATOM 0 HA LEU A 120 7.753 -14.713 23.324 1.00 22.85 H new ATOM 0 HB2 LEU A 120 4.915 -15.555 23.933 1.00 23.66 H new ATOM 0 HB3 LEU A 120 5.957 -14.858 25.158 1.00 23.66 H new ATOM 0 HG LEU A 120 4.588 -13.113 24.310 1.00 23.95 H new ATOM 0 HD11 LEU A 120 6.240 -11.539 23.369 1.00 23.98 H new ATOM 0 HD12 LEU A 120 6.913 -12.481 24.721 1.00 23.98 H new ATOM 0 HD13 LEU A 120 7.339 -12.901 23.045 1.00 23.98 H new ATOM 0 HD21 LEU A 120 4.487 -12.490 21.933 1.00 23.52 H new ATOM 0 HD22 LEU A 120 5.501 -13.895 21.528 1.00 23.52 H new ATOM 0 HD23 LEU A 120 3.879 -14.138 22.218 1.00 23.52 H new ATOM 1978 N ASN A 121 8.852 -16.804 24.166 1.00 23.21 N ATOM 1979 CA ASN A 121 9.513 -17.905 24.855 1.00 23.56 C ATOM 1980 C ASN A 121 10.414 -17.385 25.970 1.00 24.31 C ATOM 1981 O ASN A 121 11.219 -18.128 26.529 1.00 24.76 O ATOM 1982 CB ASN A 121 10.331 -18.741 23.863 1.00 23.18 C ATOM 1983 CG ASN A 121 11.548 -18.008 23.322 1.00 23.09 C ATOM 1984 OD1 ASN A 121 12.637 -18.081 23.891 1.00 23.47 O ATOM 1985 ND2 ASN A 121 11.376 -17.288 22.224 1.00 22.69 N ATOM 0 H ASN A 121 9.486 -16.174 23.675 1.00 23.21 H new ATOM 0 HA ASN A 121 8.744 -18.537 25.300 1.00 23.56 H new ATOM 0 HB2 ASN A 121 10.656 -19.659 24.353 1.00 23.18 H new ATOM 0 HB3 ASN A 121 9.691 -19.033 23.030 1.00 23.18 H new ATOM 0 HD21 ASN A 121 12.160 -16.772 21.825 1.00 22.69 H new ATOM 0 HD22 ASN A 121 10.460 -17.249 21.778 1.00 22.69 H new