USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 200 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 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 122 LYS NZ :NH3+ -170:sc= -1.49 (180deg=-1.67) USER MOD Set 2.1: A 56 SER OG : rot 24:sc= -0.0188 USER MOD Set 2.2: A 60 MET CE :methyl 154:sc= -3.17 (180deg=-3.65!) USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 16 THR OG1 : rot 104:sc= 1.08 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -1.18 (180deg=-1.99) USER MOD Single : A 23 ASN : amide:sc= -6.54! K(o=-6.5!,f=-2) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0552) USER MOD Single : A 31 ASN : amide:sc= 0.117 K(o=0.12,f=-0.97) USER MOD Single : A 32 ASN : amide:sc= -0.765 X(o=-0.76,f=-0.96) USER MOD Single : A 44 ASN : amide:sc= -0.334 K(o=-0.33,f=-2.7!) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0163 (180deg=-0.296) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0183 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 63 MET CE :methyl -169:sc= -0.0215 (180deg=-0.179) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -2:sc= 0.268 USER MOD Single : A 78 MET CE :methyl 144:sc= -0.191 (180deg=-1.24) USER MOD Single : A 79 SER OG : rot -92:sc= 0.685 USER MOD Single : A 85 MET CE :methyl -179:sc= -1.28 (180deg=-1.45) USER MOD Single : A 87 THR OG1 : rot -115:sc= 0.388 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= 0.257 K(o=0.26,f=-0.3) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 104 SER OG : rot -110:sc= 0.789 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -115:sc= 0.435 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0712 USER MOD Single : A 115 THR OG1 : rot -158:sc= -1.11! USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.376 -2.006 -8.192 1.00 0.00 N ATOM 38 CA LYS A 4 -15.128 -1.738 -6.943 1.00 0.00 C ATOM 39 C LYS A 4 -14.839 -2.722 -5.795 1.00 0.00 C ATOM 40 O LYS A 4 -14.955 -2.370 -4.622 1.00 0.00 O ATOM 41 CB LYS A 4 -16.628 -1.743 -7.275 1.00 0.00 C ATOM 42 CG LYS A 4 -17.368 -0.608 -6.547 1.00 0.00 C ATOM 43 CD LYS A 4 -16.873 0.751 -7.048 1.00 0.00 C ATOM 44 CE LYS A 4 -17.654 1.911 -6.425 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.076 3.156 -6.954 1.00 0.00 N ATOM 0 HA LYS A 4 -14.796 -0.767 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.764 -1.637 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.062 -2.702 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.441 -0.697 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.206 -0.689 -5.472 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.814 0.860 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.966 0.793 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.713 1.841 -6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.581 1.884 -5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.582 3.971 -6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -16.071 3.210 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.167 3.168 -7.990 1.00 0.00 H new ATOM 50 N GLU A 5 -14.510 -3.956 -6.151 1.00 0.00 N ATOM 51 CA GLU A 5 -14.142 -5.014 -5.194 1.00 0.00 C ATOM 52 C GLU A 5 -12.707 -5.468 -5.484 1.00 0.00 C ATOM 53 O GLU A 5 -12.459 -6.359 -6.292 1.00 0.00 O ATOM 54 CB GLU A 5 -15.148 -6.174 -5.239 1.00 0.00 C ATOM 55 CG GLU A 5 -16.540 -5.795 -4.731 1.00 0.00 C ATOM 56 CD GLU A 5 -16.543 -5.383 -3.254 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.385 -6.283 -2.405 1.00 0.00 O ATOM 58 OE2 GLU A 5 -16.741 -4.181 -2.984 1.00 0.00 O ATOM 0 H GLU A 5 -14.488 -4.264 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.179 -4.624 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.230 -6.534 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.764 -7.001 -4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.930 -4.974 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.214 -6.640 -4.869 1.00 0.00 H new ATOM 60 N LEU A 6 -11.800 -4.570 -5.101 1.00 0.00 N ATOM 61 CA LEU A 6 -10.352 -4.763 -5.241 1.00 0.00 C ATOM 62 C LEU A 6 -9.752 -5.146 -3.885 1.00 0.00 C ATOM 63 O LEU A 6 -10.142 -4.602 -2.848 1.00 0.00 O ATOM 64 CB LEU A 6 -9.727 -3.471 -5.802 1.00 0.00 C ATOM 65 CG LEU A 6 -8.192 -3.447 -5.892 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.629 -4.570 -6.751 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.721 -2.111 -6.478 1.00 0.00 C ATOM 0 H LEU A 6 -12.051 -3.676 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.138 -5.575 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.132 -3.299 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.047 -2.636 -5.179 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.824 -3.582 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.542 -4.499 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.921 -5.532 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.021 -4.484 -7.764 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.633 -2.103 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.140 -1.983 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.055 -1.295 -5.837 1.00 0.00 H new ATOM 69 N LYS A 7 -8.995 -6.231 -3.906 1.00 0.00 N ATOM 70 CA LYS A 7 -8.319 -6.741 -2.702 1.00 0.00 C ATOM 71 C LYS A 7 -7.096 -5.916 -2.275 1.00 0.00 C ATOM 72 O LYS A 7 -6.122 -5.793 -3.013 1.00 0.00 O ATOM 73 CB LYS A 7 -7.985 -8.234 -2.783 1.00 0.00 C ATOM 74 CG LYS A 7 -9.226 -9.122 -2.755 1.00 0.00 C ATOM 75 CD LYS A 7 -8.867 -10.585 -2.510 1.00 0.00 C ATOM 76 CE LYS A 7 -8.474 -10.855 -1.053 1.00 0.00 C ATOM 77 NZ LYS A 7 -8.074 -12.263 -0.910 1.00 0.00 N ATOM 0 H LYS A 7 -8.826 -6.786 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.059 -6.620 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.427 -8.427 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.334 -8.501 -1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.903 -8.777 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.760 -9.032 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.716 -11.214 -2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.042 -10.868 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.654 -10.200 -0.758 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.312 -10.634 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.807 -12.449 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.869 -12.878 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.263 -12.458 -1.531 1.00 0.00 H new ATOM 82 N PHE A 8 -7.260 -5.292 -1.116 1.00 0.00 N ATOM 83 CA PHE A 8 -6.248 -4.434 -0.471 1.00 0.00 C ATOM 84 C PHE A 8 -5.630 -5.098 0.756 1.00 0.00 C ATOM 85 O PHE A 8 -6.306 -5.763 1.543 1.00 0.00 O ATOM 86 CB PHE A 8 -6.843 -3.131 0.067 1.00 0.00 C ATOM 87 CG PHE A 8 -7.334 -2.170 -1.015 1.00 0.00 C ATOM 88 CD1 PHE A 8 -6.415 -1.270 -1.603 1.00 0.00 C ATOM 89 CD2 PHE A 8 -8.643 -2.313 -1.498 1.00 0.00 C ATOM 90 CE1 PHE A 8 -6.808 -0.540 -2.741 1.00 0.00 C ATOM 91 CE2 PHE A 8 -9.027 -1.594 -2.649 1.00 0.00 C ATOM 92 CZ PHE A 8 -8.096 -0.742 -3.279 1.00 0.00 C ATOM 0 H PHE A 8 -8.122 -5.364 -0.575 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.515 -4.253 -1.257 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.676 -3.371 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.091 -2.625 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.427 -1.145 -1.185 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.345 -2.963 -0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.131 0.167 -3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.027 -1.695 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.375 -0.235 -4.191 1.00 0.00 H new ATOM 94 N LEU A 9 -4.342 -4.858 0.903 1.00 0.00 N ATOM 95 CA LEU A 9 -3.616 -5.346 2.081 1.00 0.00 C ATOM 96 C LEU A 9 -2.947 -4.178 2.812 1.00 0.00 C ATOM 97 O LEU A 9 -2.029 -3.527 2.316 1.00 0.00 O ATOM 98 CB LEU A 9 -2.677 -6.486 1.666 1.00 0.00 C ATOM 99 CG LEU A 9 -2.183 -7.347 2.845 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.891 -6.733 3.368 1.00 0.00 C ATOM 101 CD2 LEU A 9 -3.190 -7.671 3.948 1.00 0.00 C ATOM 0 H LEU A 9 -3.774 -4.336 0.236 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.297 -5.779 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.193 -7.127 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.814 -6.064 1.150 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.008 -8.346 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.520 -7.325 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.146 -6.721 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.082 -5.713 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.709 -8.282 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.549 -6.745 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.032 -8.218 3.523 1.00 0.00 H new ATOM 103 N VAL A 10 -3.606 -3.841 3.913 1.00 0.00 N ATOM 104 CA VAL A 10 -3.229 -2.740 4.813 1.00 0.00 C ATOM 105 C VAL A 10 -2.115 -3.214 5.757 1.00 0.00 C ATOM 106 O VAL A 10 -2.361 -3.962 6.701 1.00 0.00 O ATOM 107 CB VAL A 10 -4.476 -2.221 5.571 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.133 -1.168 6.629 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.483 -1.616 4.585 1.00 0.00 C ATOM 0 H VAL A 10 -4.443 -4.336 4.220 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.838 -1.899 4.240 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.906 -3.083 6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.046 -0.842 7.127 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.453 -1.599 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.656 -0.313 6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.355 -1.255 5.131 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.018 -0.786 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.793 -2.377 3.869 1.00 0.00 H new ATOM 111 N VAL A 11 -0.910 -2.807 5.402 1.00 0.00 N ATOM 112 CA VAL A 11 0.308 -3.133 6.171 1.00 0.00 C ATOM 113 C VAL A 11 0.651 -1.908 7.010 1.00 0.00 C ATOM 114 O VAL A 11 1.239 -0.932 6.539 1.00 0.00 O ATOM 115 CB VAL A 11 1.540 -3.459 5.311 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.453 -4.371 6.140 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.241 -4.117 3.962 1.00 0.00 C ATOM 0 H VAL A 11 -0.733 -2.239 4.573 1.00 0.00 H new ATOM 0 HA VAL A 11 0.086 -4.027 6.754 1.00 0.00 H new ATOM 0 HB VAL A 11 2.009 -2.509 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.340 -4.623 5.559 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.752 -3.855 7.052 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.917 -5.284 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.176 -4.305 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.720 -5.060 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.614 -3.455 3.365 1.00 0.00 H new ATOM 119 N ASP A 12 0.170 -1.942 8.246 1.00 0.00 N ATOM 120 CA ASP A 12 0.400 -0.833 9.184 1.00 0.00 C ATOM 121 C ASP A 12 0.707 -1.361 10.581 1.00 0.00 C ATOM 122 O ASP A 12 -0.117 -2.014 11.215 1.00 0.00 O ATOM 123 CB ASP A 12 -0.827 0.087 9.155 1.00 0.00 C ATOM 124 CG ASP A 12 -0.518 1.466 9.749 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.311 1.531 10.977 1.00 0.00 O ATOM 126 OD2 ASP A 12 -0.376 2.409 8.942 1.00 0.00 O ATOM 0 H ASP A 12 -0.377 -2.714 8.627 1.00 0.00 H new ATOM 0 HA ASP A 12 1.273 -0.254 8.884 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.171 0.203 8.127 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.641 -0.375 9.713 1.00 0.00 H new ATOM 128 N ASP A 13 1.850 -0.917 11.090 1.00 0.00 N ATOM 129 CA ASP A 13 2.371 -1.309 12.413 1.00 0.00 C ATOM 130 C ASP A 13 1.474 -0.917 13.610 1.00 0.00 C ATOM 131 O ASP A 13 1.474 -1.588 14.635 1.00 0.00 O ATOM 132 CB ASP A 13 3.806 -0.799 12.611 1.00 0.00 C ATOM 133 CG ASP A 13 4.018 0.713 12.776 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.104 1.500 12.417 1.00 0.00 O ATOM 135 OD2 ASP A 13 5.085 1.071 13.330 1.00 0.00 O ATOM 0 H ASP A 13 2.457 -0.264 10.595 1.00 0.00 H new ATOM 0 HA ASP A 13 2.370 -2.399 12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.217 -1.292 13.492 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.398 -1.128 11.757 1.00 0.00 H new ATOM 137 N PHE A 14 0.751 0.192 13.449 1.00 0.00 N ATOM 138 CA PHE A 14 -0.126 0.726 14.492 1.00 0.00 C ATOM 139 C PHE A 14 -1.567 0.253 14.262 1.00 0.00 C ATOM 140 O PHE A 14 -2.230 0.672 13.310 1.00 0.00 O ATOM 141 CB PHE A 14 -0.077 2.256 14.446 1.00 0.00 C ATOM 142 CG PHE A 14 -0.311 2.938 15.800 1.00 0.00 C ATOM 143 CD1 PHE A 14 -1.343 2.531 16.677 1.00 0.00 C ATOM 144 CD2 PHE A 14 0.550 3.994 16.160 1.00 0.00 C ATOM 145 CE1 PHE A 14 -1.510 3.169 17.923 1.00 0.00 C ATOM 146 CE2 PHE A 14 0.395 4.639 17.409 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.644 4.219 18.276 1.00 0.00 C ATOM 0 H PHE A 14 0.757 0.745 12.592 1.00 0.00 H new ATOM 0 HA PHE A 14 0.210 0.370 15.466 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.895 2.565 14.060 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.828 2.610 13.740 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.006 1.728 16.391 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.329 4.311 15.482 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.293 2.855 18.598 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.059 5.440 17.698 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.773 4.715 19.227 1.00 0.00 H new ATOM 149 N SER A 15 -2.063 -0.428 15.286 1.00 0.00 N ATOM 150 CA SER A 15 -3.443 -0.969 15.366 1.00 0.00 C ATOM 151 C SER A 15 -4.520 0.059 14.953 1.00 0.00 C ATOM 152 O SER A 15 -5.269 -0.160 14.007 1.00 0.00 O ATOM 153 CB SER A 15 -3.700 -1.472 16.789 1.00 0.00 C ATOM 154 OG SER A 15 -3.273 -0.475 17.733 1.00 0.00 O ATOM 0 H SER A 15 -1.511 -0.634 16.118 1.00 0.00 H new ATOM 0 HA SER A 15 -3.519 -1.790 14.654 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.760 -1.687 16.925 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.162 -2.404 16.960 1.00 0.00 H new ATOM 0 HG SER A 15 -3.438 -0.795 18.644 1.00 0.00 H new ATOM 157 N THR A 16 -4.423 1.239 15.557 1.00 0.00 N ATOM 158 CA THR A 16 -5.322 2.387 15.302 1.00 0.00 C ATOM 159 C THR A 16 -5.267 2.848 13.846 1.00 0.00 C ATOM 160 O THR A 16 -6.285 2.803 13.155 1.00 0.00 O ATOM 161 CB THR A 16 -4.937 3.546 16.235 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.604 3.018 17.521 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.060 4.581 16.375 1.00 0.00 C ATOM 0 H THR A 16 -3.706 1.440 16.254 1.00 0.00 H new ATOM 0 HA THR A 16 -6.345 2.066 15.500 1.00 0.00 H new ATOM 0 HB THR A 16 -4.081 4.058 15.797 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.630 3.017 17.632 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.738 5.379 17.044 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.293 5.000 15.396 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.949 4.101 16.784 1.00 0.00 H new ATOM 166 N MET A 17 -4.068 3.169 13.337 1.00 0.00 N ATOM 167 CA MET A 17 -3.907 3.625 11.942 1.00 0.00 C ATOM 168 C MET A 17 -4.322 2.557 10.905 1.00 0.00 C ATOM 169 O MET A 17 -4.963 2.872 9.905 1.00 0.00 O ATOM 170 CB MET A 17 -2.480 4.111 11.649 1.00 0.00 C ATOM 171 CG MET A 17 -2.497 5.528 11.056 1.00 0.00 C ATOM 172 SD MET A 17 -3.408 5.714 9.482 1.00 0.00 S ATOM 173 CE MET A 17 -2.219 5.099 8.312 1.00 0.00 C ATOM 0 H MET A 17 -3.197 3.123 13.866 1.00 0.00 H new ATOM 0 HA MET A 17 -4.589 4.469 11.839 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.893 4.103 12.567 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.994 3.427 10.954 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.934 6.205 11.790 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.467 5.849 10.899 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.723 4.850 7.378 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.464 5.863 8.125 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.740 4.207 8.715 1.00 0.00 H new ATOM 175 N ARG A 18 -4.043 1.294 11.242 1.00 0.00 N ATOM 176 CA ARG A 18 -4.392 0.116 10.420 1.00 0.00 C ATOM 177 C ARG A 18 -5.916 0.056 10.186 1.00 0.00 C ATOM 178 O ARG A 18 -6.377 0.108 9.039 1.00 0.00 O ATOM 179 CB ARG A 18 -3.933 -1.127 11.195 1.00 0.00 C ATOM 180 CG ARG A 18 -3.691 -2.348 10.309 1.00 0.00 C ATOM 181 CD ARG A 18 -3.478 -3.620 11.141 1.00 0.00 C ATOM 182 NE ARG A 18 -2.364 -3.455 12.091 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.354 -3.777 13.384 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.392 -4.362 13.977 1.00 0.00 N ATOM 185 NH2 ARG A 18 -1.288 -3.500 14.114 1.00 0.00 N ATOM 0 H ARG A 18 -3.560 1.050 12.107 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.907 0.171 9.445 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.014 -0.891 11.732 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.685 -1.376 11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.542 -2.488 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.818 -2.174 9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.392 -3.859 11.686 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.273 -4.461 10.479 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.506 -3.050 11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.231 -4.578 13.439 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.348 -4.594 14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.482 -3.043 13.687 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.271 -3.743 15.105 1.00 0.00 H new ATOM 192 N ARG A 19 -6.647 0.229 11.293 1.00 0.00 N ATOM 193 CA ARG A 19 -8.117 0.243 11.327 1.00 0.00 C ATOM 194 C ARG A 19 -8.686 1.381 10.457 1.00 0.00 C ATOM 195 O ARG A 19 -9.474 1.114 9.549 1.00 0.00 O ATOM 196 CB ARG A 19 -8.578 0.343 12.790 1.00 0.00 C ATOM 197 CG ARG A 19 -10.095 0.226 12.966 1.00 0.00 C ATOM 198 CD ARG A 19 -10.633 -1.131 12.514 1.00 0.00 C ATOM 199 NE ARG A 19 -12.105 -1.072 12.511 1.00 0.00 N ATOM 200 CZ ARG A 19 -12.934 -1.857 11.834 1.00 0.00 C ATOM 201 NH1 ARG A 19 -12.507 -2.734 10.936 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.238 -1.672 11.906 1.00 0.00 N ATOM 0 H ARG A 19 -6.225 0.366 12.212 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.503 -0.684 10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.092 -0.442 13.369 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.246 1.296 13.202 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.349 0.383 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.586 1.016 12.397 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.261 -1.373 11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.287 -1.918 13.184 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.533 -0.351 13.091 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.509 -2.823 10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.176 -3.319 10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.615 -0.922 12.485 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.869 -2.279 11.383 1.00 0.00 H new ATOM 209 N ILE A 20 -8.095 2.569 10.602 1.00 0.00 N ATOM 210 CA ILE A 20 -8.464 3.782 9.839 1.00 0.00 C ATOM 211 C ILE A 20 -8.447 3.490 8.321 1.00 0.00 C ATOM 212 O ILE A 20 -9.509 3.522 7.699 1.00 0.00 O ATOM 213 CB ILE A 20 -7.562 4.971 10.224 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.672 5.346 11.713 1.00 0.00 C ATOM 215 CG2 ILE A 20 -7.716 6.210 9.329 1.00 0.00 C ATOM 216 CD1 ILE A 20 -9.084 5.689 12.223 1.00 0.00 C ATOM 0 H ILE A 20 -7.333 2.727 11.262 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.483 4.068 10.100 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.553 4.600 10.044 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.286 4.516 12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.023 6.201 11.900 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.043 6.995 9.675 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.470 5.948 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.745 6.567 9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.038 5.937 13.283 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.474 6.542 11.668 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.741 4.831 12.079 1.00 0.00 H new ATOM 218 N VAL A 21 -7.321 2.989 7.826 1.00 0.00 N ATOM 219 CA VAL A 21 -7.150 2.662 6.383 1.00 0.00 C ATOM 220 C VAL A 21 -8.174 1.612 5.922 1.00 0.00 C ATOM 221 O VAL A 21 -8.872 1.837 4.925 1.00 0.00 O ATOM 222 CB VAL A 21 -5.737 2.171 6.034 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.508 2.301 4.520 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.609 2.941 6.726 1.00 0.00 C ATOM 0 H VAL A 21 -6.497 2.793 8.394 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.317 3.600 5.854 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.698 1.139 6.382 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.505 1.953 4.272 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.243 1.698 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.613 3.345 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.647 2.528 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.658 3.992 6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.717 2.852 7.807 1.00 0.00 H new ATOM 226 N ARG A 22 -8.290 0.528 6.684 1.00 0.00 N ATOM 227 CA ARG A 22 -9.239 -0.580 6.405 1.00 0.00 C ATOM 228 C ARG A 22 -10.677 -0.041 6.269 1.00 0.00 C ATOM 229 O ARG A 22 -11.317 -0.257 5.237 1.00 0.00 O ATOM 230 CB ARG A 22 -9.062 -1.617 7.520 1.00 0.00 C ATOM 231 CG ARG A 22 -9.626 -3.005 7.189 1.00 0.00 C ATOM 232 CD ARG A 22 -11.092 -3.140 7.586 1.00 0.00 C ATOM 233 NE ARG A 22 -11.614 -4.436 7.127 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.665 -5.082 7.643 1.00 0.00 C ATOM 235 NH1 ARG A 22 -13.221 -4.695 8.789 1.00 0.00 N ATOM 236 NH2 ARG A 22 -13.087 -6.215 7.096 1.00 0.00 N ATOM 0 H ARG A 22 -7.729 0.379 7.523 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.033 -1.064 5.450 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.000 -1.714 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.546 -1.247 8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.522 -3.192 6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.040 -3.766 7.705 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.194 -3.059 8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.673 -2.328 7.149 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.132 -4.881 6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.846 -3.891 9.292 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.022 -5.203 9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.609 -6.596 6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.889 -6.705 7.492 1.00 0.00 H new ATOM 243 N ASN A 23 -11.063 0.820 7.208 1.00 0.00 N ATOM 244 CA ASN A 23 -12.377 1.497 7.236 1.00 0.00 C ATOM 245 C ASN A 23 -12.574 2.433 6.029 1.00 0.00 C ATOM 246 O ASN A 23 -13.579 2.327 5.324 1.00 0.00 O ATOM 247 CB ASN A 23 -12.555 2.287 8.544 1.00 0.00 C ATOM 248 CG ASN A 23 -12.522 1.443 9.827 1.00 0.00 C ATOM 249 OD1 ASN A 23 -12.172 1.910 10.899 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.959 0.203 9.771 1.00 0.00 N ATOM 0 H ASN A 23 -10.464 1.079 7.992 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.136 0.717 7.180 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.770 3.041 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.506 2.819 8.502 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.003 -0.361 10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.253 -0.194 8.879 1.00 0.00 H new ATOM 254 N LEU A 24 -11.566 3.260 5.746 1.00 0.00 N ATOM 255 CA LEU A 24 -11.556 4.202 4.605 1.00 0.00 C ATOM 256 C LEU A 24 -11.860 3.504 3.269 1.00 0.00 C ATOM 257 O LEU A 24 -12.805 3.864 2.573 1.00 0.00 O ATOM 258 CB LEU A 24 -10.191 4.895 4.496 1.00 0.00 C ATOM 259 CG LEU A 24 -9.892 5.857 5.653 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.528 6.514 5.458 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.944 6.957 5.863 1.00 0.00 C ATOM 0 H LEU A 24 -10.715 3.301 6.307 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.340 4.934 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.410 4.135 4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.148 5.446 3.557 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.909 5.234 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.330 7.194 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.755 5.746 5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.524 7.072 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.648 7.588 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.020 7.564 4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.911 6.500 6.076 1.00 0.00 H new ATOM 263 N LEU A 25 -11.088 2.457 2.984 1.00 0.00 N ATOM 264 CA LEU A 25 -11.241 1.610 1.767 1.00 0.00 C ATOM 265 C LEU A 25 -12.646 1.018 1.611 1.00 0.00 C ATOM 266 O LEU A 25 -13.280 1.141 0.563 1.00 0.00 O ATOM 267 CB LEU A 25 -10.219 0.476 1.778 1.00 0.00 C ATOM 268 CG LEU A 25 -8.842 1.071 1.538 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.718 0.139 2.010 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.620 1.439 0.066 1.00 0.00 C ATOM 0 H LEU A 25 -10.324 2.156 3.589 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.071 2.271 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.245 -0.049 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.456 -0.256 1.006 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.807 1.984 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.753 0.607 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.825 -0.047 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.777 -0.806 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.622 1.860 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.715 0.545 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.365 2.173 -0.242 1.00 0.00 H new ATOM 272 N LYS A 26 -13.105 0.454 2.727 1.00 0.00 N ATOM 273 CA LYS A 26 -14.449 -0.144 2.862 1.00 0.00 C ATOM 274 C LYS A 26 -15.538 0.887 2.496 1.00 0.00 C ATOM 275 O LYS A 26 -16.317 0.668 1.571 1.00 0.00 O ATOM 276 CB LYS A 26 -14.537 -0.635 4.319 1.00 0.00 C ATOM 277 CG LYS A 26 -15.859 -1.307 4.699 1.00 0.00 C ATOM 278 CD LYS A 26 -15.882 -1.754 6.167 1.00 0.00 C ATOM 279 CE LYS A 26 -15.828 -0.606 7.184 1.00 0.00 C ATOM 280 NZ LYS A 26 -16.997 0.281 7.062 1.00 0.00 N ATOM 0 H LYS A 26 -12.551 0.394 3.581 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.612 -0.978 2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.725 -1.339 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.375 0.214 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.681 -0.615 4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.023 -2.171 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.787 -2.335 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.037 -2.419 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.785 -1.015 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.915 -0.029 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.999 0.963 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -16.951 0.794 6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -17.868 -0.286 7.094 1.00 0.00 H new ATOM 285 N GLU A 27 -15.379 2.097 3.047 1.00 0.00 N ATOM 286 CA GLU A 27 -16.241 3.266 2.830 1.00 0.00 C ATOM 287 C GLU A 27 -16.267 3.754 1.368 1.00 0.00 C ATOM 288 O GLU A 27 -17.247 4.380 0.945 1.00 0.00 O ATOM 289 CB GLU A 27 -15.709 4.372 3.732 1.00 0.00 C ATOM 290 CG GLU A 27 -16.165 4.227 5.187 1.00 0.00 C ATOM 291 CD GLU A 27 -15.495 5.295 6.054 1.00 0.00 C ATOM 292 OE1 GLU A 27 -16.028 6.422 6.081 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.470 4.952 6.690 1.00 0.00 O ATOM 0 H GLU A 27 -14.610 2.297 3.686 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.269 2.990 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.620 4.370 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.039 5.337 3.348 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.249 4.324 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.912 3.234 5.559 1.00 0.00 H new ATOM 295 N LEU A 28 -15.152 3.567 0.665 1.00 0.00 N ATOM 296 CA LEU A 28 -14.983 3.921 -0.761 1.00 0.00 C ATOM 297 C LEU A 28 -15.646 2.924 -1.736 1.00 0.00 C ATOM 298 O LEU A 28 -15.703 3.178 -2.936 1.00 0.00 O ATOM 299 CB LEU A 28 -13.487 4.015 -1.076 1.00 0.00 C ATOM 300 CG LEU A 28 -12.788 5.181 -0.367 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.267 5.013 -0.447 1.00 0.00 C ATOM 302 CD2 LEU A 28 -13.217 6.547 -0.929 1.00 0.00 C ATOM 0 H LEU A 28 -14.313 3.155 1.073 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.486 4.877 -0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.003 3.082 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.356 4.123 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.094 5.160 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.782 5.847 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.978 4.078 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.958 4.994 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.695 7.341 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.968 6.599 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -14.292 6.671 -0.802 1.00 0.00 H new ATOM 304 N GLY A 29 -16.087 1.796 -1.190 1.00 0.00 N ATOM 305 CA GLY A 29 -16.744 0.694 -1.921 1.00 0.00 C ATOM 306 C GLY A 29 -15.950 -0.623 -1.939 1.00 0.00 C ATOM 307 O GLY A 29 -16.548 -1.691 -2.066 1.00 0.00 O ATOM 0 H GLY A 29 -15.999 1.607 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.720 0.509 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.920 1.011 -2.949 1.00 0.00 H new ATOM 309 N PHE A 30 -14.686 -0.555 -1.544 1.00 0.00 N ATOM 310 CA PHE A 30 -13.749 -1.697 -1.541 1.00 0.00 C ATOM 311 C PHE A 30 -13.829 -2.558 -0.266 1.00 0.00 C ATOM 312 O PHE A 30 -12.918 -2.607 0.554 1.00 0.00 O ATOM 313 CB PHE A 30 -12.324 -1.178 -1.761 1.00 0.00 C ATOM 314 CG PHE A 30 -12.152 -0.201 -2.934 1.00 0.00 C ATOM 315 CD1 PHE A 30 -12.386 -0.607 -4.262 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.607 1.081 -2.649 1.00 0.00 C ATOM 317 CE1 PHE A 30 -12.075 0.274 -5.322 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.299 1.953 -3.706 1.00 0.00 C ATOM 319 CZ PHE A 30 -11.529 1.542 -5.041 1.00 0.00 C ATOM 0 H PHE A 30 -14.263 0.310 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.040 -2.358 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.990 -0.685 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.665 -2.032 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -12.800 -1.583 -4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.431 1.382 -1.627 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.255 -0.024 -6.344 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.889 2.931 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.283 2.209 -5.854 1.00 0.00 H new ATOM 321 N ASN A 31 -14.832 -3.433 -0.287 1.00 0.00 N ATOM 322 CA ASN A 31 -15.114 -4.368 0.822 1.00 0.00 C ATOM 323 C ASN A 31 -14.305 -5.684 0.770 1.00 0.00 C ATOM 324 O ASN A 31 -14.691 -6.736 1.280 1.00 0.00 O ATOM 325 CB ASN A 31 -16.624 -4.610 0.883 1.00 0.00 C ATOM 326 CG ASN A 31 -17.353 -3.356 1.367 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.599 -3.158 2.556 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.690 -2.458 0.468 1.00 0.00 N ATOM 0 H ASN A 31 -15.479 -3.521 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.776 -3.900 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.992 -4.893 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.837 -5.442 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.155 -1.597 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.486 -2.622 -0.518 1.00 0.00 H new ATOM 332 N ASN A 32 -13.118 -5.570 0.185 1.00 0.00 N ATOM 333 CA ASN A 32 -12.136 -6.658 0.032 1.00 0.00 C ATOM 334 C ASN A 32 -10.770 -6.206 0.573 1.00 0.00 C ATOM 335 O ASN A 32 -9.721 -6.314 -0.050 1.00 0.00 O ATOM 336 CB ASN A 32 -12.059 -7.050 -1.453 1.00 0.00 C ATOM 337 CG ASN A 32 -13.210 -7.906 -2.007 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.282 -8.190 -3.190 1.00 0.00 O ATOM 339 ND2 ASN A 32 -14.151 -8.320 -1.179 1.00 0.00 N ATOM 0 H ASN A 32 -12.793 -4.689 -0.213 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.442 -7.533 0.606 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.002 -6.135 -2.043 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.126 -7.591 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.932 -8.874 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.097 -8.086 -0.188 1.00 0.00 H new ATOM 343 N VAL A 33 -10.796 -5.738 1.818 1.00 0.00 N ATOM 344 CA VAL A 33 -9.589 -5.222 2.488 1.00 0.00 C ATOM 345 C VAL A 33 -9.172 -6.078 3.697 1.00 0.00 C ATOM 346 O VAL A 33 -9.975 -6.389 4.569 1.00 0.00 O ATOM 347 CB VAL A 33 -9.787 -3.724 2.802 1.00 0.00 C ATOM 348 CG1 VAL A 33 -11.014 -3.403 3.655 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.520 -3.106 3.419 1.00 0.00 C ATOM 0 H VAL A 33 -11.639 -5.702 2.391 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.736 -5.303 1.814 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.978 -3.263 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.069 -2.327 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.914 -3.736 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.935 -3.916 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.695 -2.050 3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.277 -3.624 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.689 -3.205 2.720 1.00 0.00 H new ATOM 351 N GLU A 34 -7.906 -6.502 3.669 1.00 0.00 N ATOM 352 CA GLU A 34 -7.320 -7.329 4.727 1.00 0.00 C ATOM 353 C GLU A 34 -6.170 -6.590 5.401 1.00 0.00 C ATOM 354 O GLU A 34 -5.631 -5.610 4.879 1.00 0.00 O ATOM 355 CB GLU A 34 -6.855 -8.660 4.136 1.00 0.00 C ATOM 356 CG GLU A 34 -7.998 -9.518 3.588 1.00 0.00 C ATOM 357 CD GLU A 34 -9.139 -9.797 4.577 1.00 0.00 C ATOM 358 OE1 GLU A 34 -8.831 -10.249 5.701 1.00 0.00 O ATOM 359 OE2 GLU A 34 -10.304 -9.574 4.169 1.00 0.00 O ATOM 0 H GLU A 34 -7.258 -6.282 2.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.073 -7.533 5.489 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.143 -8.463 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.324 -9.223 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.413 -9.024 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.588 -10.471 3.254 1.00 0.00 H new ATOM 361 N GLU A 35 -5.774 -7.107 6.563 1.00 0.00 N ATOM 362 CA GLU A 35 -4.718 -6.451 7.351 1.00 0.00 C ATOM 363 C GLU A 35 -3.513 -7.261 7.812 1.00 0.00 C ATOM 364 O GLU A 35 -3.614 -8.390 8.260 1.00 0.00 O ATOM 365 CB GLU A 35 -5.332 -5.776 8.595 1.00 0.00 C ATOM 366 CG GLU A 35 -6.325 -4.648 8.291 1.00 0.00 C ATOM 367 CD GLU A 35 -7.029 -4.157 9.558 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.787 -4.967 10.129 1.00 0.00 O ATOM 369 OE2 GLU A 35 -6.840 -2.976 9.908 1.00 0.00 O ATOM 0 H GLU A 35 -6.154 -7.958 6.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.303 -5.760 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.838 -6.536 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.525 -5.375 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.799 -3.817 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.068 -5.000 7.575 1.00 0.00 H new ATOM 371 N ALA A 36 -2.393 -6.547 7.736 1.00 0.00 N ATOM 372 CA ALA A 36 -1.054 -7.013 8.152 1.00 0.00 C ATOM 373 C ALA A 36 -0.391 -5.930 9.016 1.00 0.00 C ATOM 374 O ALA A 36 -0.622 -4.729 8.847 1.00 0.00 O ATOM 375 CB ALA A 36 -0.204 -7.266 6.914 1.00 0.00 C ATOM 0 H ALA A 36 -2.382 -5.594 7.372 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.144 -7.935 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.785 -7.610 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.680 -8.027 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.108 -6.342 6.343 1.00 0.00 H new ATOM 377 N GLU A 37 0.438 -6.396 9.945 1.00 0.00 N ATOM 378 CA GLU A 37 1.155 -5.486 10.866 1.00 0.00 C ATOM 379 C GLU A 37 2.468 -4.958 10.276 1.00 0.00 C ATOM 380 O GLU A 37 2.622 -3.756 10.066 1.00 0.00 O ATOM 381 CB GLU A 37 1.376 -6.140 12.231 1.00 0.00 C ATOM 382 CG GLU A 37 0.062 -6.444 12.949 1.00 0.00 C ATOM 383 CD GLU A 37 0.267 -6.954 14.378 1.00 0.00 C ATOM 384 OE1 GLU A 37 0.993 -7.951 14.526 1.00 0.00 O ATOM 385 OE2 GLU A 37 -0.314 -6.336 15.299 1.00 0.00 O ATOM 0 H GLU A 37 0.636 -7.386 10.089 1.00 0.00 H new ATOM 0 HA GLU A 37 0.512 -4.617 11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.939 -7.064 12.101 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.983 -5.482 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.549 -5.542 12.975 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.494 -7.189 12.379 1.00 0.00 H new ATOM 387 N ASP A 38 3.321 -5.884 9.837 1.00 0.00 N ATOM 388 CA ASP A 38 4.631 -5.528 9.262 1.00 0.00 C ATOM 389 C ASP A 38 4.855 -6.245 7.929 1.00 0.00 C ATOM 390 O ASP A 38 4.163 -7.216 7.634 1.00 0.00 O ATOM 391 CB ASP A 38 5.748 -5.812 10.291 1.00 0.00 C ATOM 392 CG ASP A 38 5.972 -7.283 10.636 1.00 0.00 C ATOM 393 OD1 ASP A 38 6.340 -8.028 9.696 1.00 0.00 O ATOM 394 OD2 ASP A 38 5.754 -7.644 11.818 1.00 0.00 O ATOM 0 H ASP A 38 3.134 -6.886 9.866 1.00 0.00 H new ATOM 0 HA ASP A 38 4.654 -4.461 9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.682 -5.401 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.516 -5.274 11.210 1.00 0.00 H new ATOM 396 N GLY A 39 5.931 -5.835 7.253 1.00 0.00 N ATOM 397 CA GLY A 39 6.352 -6.368 5.941 1.00 0.00 C ATOM 398 C GLY A 39 6.328 -7.890 5.782 1.00 0.00 C ATOM 399 O GLY A 39 5.795 -8.406 4.796 1.00 0.00 O ATOM 0 H GLY A 39 6.553 -5.107 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.709 -5.935 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.365 -6.020 5.741 1.00 0.00 H new ATOM 401 N VAL A 40 6.825 -8.593 6.797 1.00 0.00 N ATOM 402 CA VAL A 40 6.853 -10.082 6.806 1.00 0.00 C ATOM 403 C VAL A 40 5.419 -10.633 6.742 1.00 0.00 C ATOM 404 O VAL A 40 5.059 -11.197 5.710 1.00 0.00 O ATOM 405 CB VAL A 40 7.625 -10.623 8.028 1.00 0.00 C ATOM 406 CG1 VAL A 40 7.676 -12.152 7.999 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.065 -10.087 8.065 1.00 0.00 C ATOM 0 H VAL A 40 7.220 -8.167 7.636 1.00 0.00 H new ATOM 0 HA VAL A 40 7.389 -10.428 5.922 1.00 0.00 H new ATOM 0 HB VAL A 40 7.094 -10.284 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.224 -12.514 8.869 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.662 -12.550 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.178 -12.482 7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.580 -10.488 8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.591 -10.394 7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.047 -8.999 8.122 1.00 0.00 H new ATOM 409 N ASP A 41 4.571 -10.213 7.693 1.00 0.00 N ATOM 410 CA ASP A 41 3.150 -10.634 7.752 1.00 0.00 C ATOM 411 C ASP A 41 2.439 -10.340 6.419 1.00 0.00 C ATOM 412 O ASP A 41 1.673 -11.159 5.911 1.00 0.00 O ATOM 413 CB ASP A 41 2.363 -9.907 8.851 1.00 0.00 C ATOM 414 CG ASP A 41 2.993 -10.014 10.243 1.00 0.00 C ATOM 415 OD1 ASP A 41 3.141 -11.150 10.751 1.00 0.00 O ATOM 416 OD2 ASP A 41 3.338 -8.915 10.734 1.00 0.00 O ATOM 0 H ASP A 41 4.842 -9.576 8.442 1.00 0.00 H new ATOM 0 HA ASP A 41 3.169 -11.703 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.274 -8.854 8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.352 -10.313 8.889 1.00 0.00 H new ATOM 418 N ALA A 42 2.778 -9.176 5.862 1.00 0.00 N ATOM 419 CA ALA A 42 2.262 -8.703 4.566 1.00 0.00 C ATOM 420 C ALA A 42 2.628 -9.656 3.441 1.00 0.00 C ATOM 421 O ALA A 42 1.714 -10.236 2.862 1.00 0.00 O ATOM 422 CB ALA A 42 2.832 -7.309 4.348 1.00 0.00 C ATOM 0 H ALA A 42 3.427 -8.523 6.300 1.00 0.00 H new ATOM 0 HA ALA A 42 1.173 -8.666 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.476 -6.915 3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.508 -6.653 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.921 -7.359 4.336 1.00 0.00 H new ATOM 424 N LEU A 43 3.916 -9.966 3.282 1.00 0.00 N ATOM 425 CA LEU A 43 4.392 -10.934 2.258 1.00 0.00 C ATOM 426 C LEU A 43 3.659 -12.282 2.414 1.00 0.00 C ATOM 427 O LEU A 43 2.920 -12.653 1.520 1.00 0.00 O ATOM 428 CB LEU A 43 5.896 -11.190 2.292 1.00 0.00 C ATOM 429 CG LEU A 43 6.755 -10.071 1.694 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.225 -10.502 1.782 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.429 -9.767 0.227 1.00 0.00 C ATOM 0 H LEU A 43 4.663 -9.564 3.848 1.00 0.00 H new ATOM 0 HA LEU A 43 4.167 -10.471 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.200 -11.347 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.105 -12.115 1.754 1.00 0.00 H new ATOM 0 HG LEU A 43 6.549 -9.164 2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.859 -9.721 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.494 -10.666 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.368 -11.426 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.075 -8.965 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.593 -10.661 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.387 -9.459 0.142 1.00 0.00 H new ATOM 433 N ASN A 44 3.661 -12.807 3.644 1.00 0.00 N ATOM 434 CA ASN A 44 2.983 -14.073 4.004 1.00 0.00 C ATOM 435 C ASN A 44 1.553 -14.163 3.441 1.00 0.00 C ATOM 436 O ASN A 44 1.186 -15.138 2.795 1.00 0.00 O ATOM 437 CB ASN A 44 2.933 -14.202 5.538 1.00 0.00 C ATOM 438 CG ASN A 44 4.294 -14.530 6.163 1.00 0.00 C ATOM 439 OD1 ASN A 44 4.976 -13.697 6.745 1.00 0.00 O ATOM 440 ND2 ASN A 44 4.697 -15.776 6.096 1.00 0.00 N ATOM 0 H ASN A 44 4.136 -12.366 4.431 1.00 0.00 H new ATOM 0 HA ASN A 44 3.558 -14.887 3.562 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.561 -13.269 5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.220 -14.981 5.807 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.579 -16.051 6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.129 -16.470 5.611 1.00 0.00 H new ATOM 444 N LYS A 45 0.811 -13.085 3.665 1.00 0.00 N ATOM 445 CA LYS A 45 -0.576 -12.852 3.211 1.00 0.00 C ATOM 446 C LYS A 45 -0.703 -12.664 1.683 1.00 0.00 C ATOM 447 O LYS A 45 -1.479 -13.350 1.023 1.00 0.00 O ATOM 448 CB LYS A 45 -1.077 -11.618 3.954 1.00 0.00 C ATOM 449 CG LYS A 45 -1.498 -12.019 5.359 1.00 0.00 C ATOM 450 CD LYS A 45 -1.783 -10.786 6.221 1.00 0.00 C ATOM 451 CE LYS A 45 -2.169 -11.198 7.644 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.451 -11.920 7.615 1.00 0.00 N ATOM 0 H LYS A 45 1.173 -12.296 4.200 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.178 -13.733 3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.293 -10.862 3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.918 -11.175 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.388 -12.646 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.712 -12.616 5.821 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.902 -10.144 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.588 -10.203 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.393 -11.831 8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.250 -10.316 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.847 -11.962 8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.115 -11.423 6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.298 -12.886 7.261 1.00 0.00 H new ATOM 457 N LEU A 46 0.137 -11.782 1.156 1.00 0.00 N ATOM 458 CA LEU A 46 0.184 -11.429 -0.281 1.00 0.00 C ATOM 459 C LEU A 46 0.479 -12.624 -1.209 1.00 0.00 C ATOM 460 O LEU A 46 -0.187 -12.772 -2.227 1.00 0.00 O ATOM 461 CB LEU A 46 1.224 -10.335 -0.547 1.00 0.00 C ATOM 462 CG LEU A 46 0.794 -8.983 0.022 1.00 0.00 C ATOM 463 CD1 LEU A 46 1.992 -8.033 0.090 1.00 0.00 C ATOM 464 CD2 LEU A 46 -0.337 -8.355 -0.807 1.00 0.00 C ATOM 0 H LEU A 46 0.823 -11.275 1.716 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.818 -11.070 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.177 -10.627 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.385 -10.241 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 46 0.413 -9.151 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.673 -7.073 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.761 -8.462 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.397 -7.886 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.617 -7.395 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.003 -8.205 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.201 -9.019 -0.806 1.00 0.00 H new ATOM 466 N GLN A 47 1.341 -13.534 -0.748 1.00 0.00 N ATOM 467 CA GLN A 47 1.748 -14.747 -1.499 1.00 0.00 C ATOM 468 C GLN A 47 0.573 -15.644 -1.952 1.00 0.00 C ATOM 469 O GLN A 47 0.698 -16.374 -2.926 1.00 0.00 O ATOM 470 CB GLN A 47 2.747 -15.629 -0.720 1.00 0.00 C ATOM 471 CG GLN A 47 3.973 -14.935 -0.117 1.00 0.00 C ATOM 472 CD GLN A 47 4.723 -13.957 -1.040 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.594 -12.741 -0.965 1.00 0.00 O ATOM 474 NE2 GLN A 47 5.622 -14.475 -1.851 1.00 0.00 N ATOM 0 H GLN A 47 1.787 -13.458 0.166 1.00 0.00 H new ATOM 0 HA GLN A 47 2.227 -14.334 -2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.205 -16.120 0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.099 -16.413 -1.390 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.656 -14.391 0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.674 -15.702 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.729 -15.487 -1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.211 -13.864 -2.417 1.00 0.00 H new ATOM 478 N ALA A 48 -0.543 -15.565 -1.222 1.00 0.00 N ATOM 479 CA ALA A 48 -1.785 -16.318 -1.531 1.00 0.00 C ATOM 480 C ALA A 48 -2.458 -15.881 -2.849 1.00 0.00 C ATOM 481 O ALA A 48 -3.118 -16.682 -3.499 1.00 0.00 O ATOM 482 CB ALA A 48 -2.766 -16.152 -0.374 1.00 0.00 C ATOM 0 H ALA A 48 -0.622 -14.976 -0.393 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.503 -17.363 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.682 -16.702 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.319 -16.540 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.999 -15.095 -0.244 1.00 0.00 H new ATOM 484 N GLY A 49 -2.247 -14.617 -3.211 1.00 0.00 N ATOM 485 CA GLY A 49 -2.805 -13.990 -4.425 1.00 0.00 C ATOM 486 C GLY A 49 -4.060 -13.159 -4.102 1.00 0.00 C ATOM 487 O GLY A 49 -4.321 -12.804 -2.958 1.00 0.00 O ATOM 0 H GLY A 49 -1.671 -13.979 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.052 -13.350 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.055 -14.762 -5.153 1.00 0.00 H new ATOM 489 N GLY A 50 -4.720 -12.737 -5.183 1.00 0.00 N ATOM 490 CA GLY A 50 -5.961 -11.927 -5.121 1.00 0.00 C ATOM 491 C GLY A 50 -5.712 -10.430 -4.861 1.00 0.00 C ATOM 492 O GLY A 50 -6.323 -9.587 -5.516 1.00 0.00 O ATOM 0 H GLY A 50 -4.416 -12.943 -6.135 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.504 -12.038 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.603 -12.322 -4.333 1.00 0.00 H new ATOM 494 N TYR A 51 -4.851 -10.139 -3.893 1.00 0.00 N ATOM 495 CA TYR A 51 -4.488 -8.757 -3.509 1.00 0.00 C ATOM 496 C TYR A 51 -3.815 -8.003 -4.656 1.00 0.00 C ATOM 497 O TYR A 51 -2.652 -8.228 -4.995 1.00 0.00 O ATOM 498 CB TYR A 51 -3.594 -8.701 -2.264 1.00 0.00 C ATOM 499 CG TYR A 51 -4.180 -9.393 -1.035 1.00 0.00 C ATOM 500 CD1 TYR A 51 -5.025 -8.661 -0.166 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.715 -10.684 -0.707 1.00 0.00 C ATOM 502 CE1 TYR A 51 -5.376 -9.230 1.072 1.00 0.00 C ATOM 503 CE2 TYR A 51 -4.086 -11.258 0.521 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.907 -10.526 1.392 1.00 0.00 C ATOM 505 OH TYR A 51 -5.227 -11.064 2.598 1.00 0.00 O ATOM 0 H TYR A 51 -4.375 -10.853 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.431 -8.267 -3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.634 -9.159 -2.500 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.398 -7.657 -2.019 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.393 -7.685 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.080 -11.226 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.995 -8.685 1.769 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.745 -12.247 0.790 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.834 -11.959 2.672 1.00 0.00 H new ATOM 508 N GLY A 52 -4.575 -7.047 -5.169 1.00 0.00 N ATOM 509 CA GLY A 52 -4.164 -6.184 -6.292 1.00 0.00 C ATOM 510 C GLY A 52 -3.793 -4.762 -5.861 1.00 0.00 C ATOM 511 O GLY A 52 -4.006 -3.826 -6.634 1.00 0.00 O ATOM 0 H GLY A 52 -5.510 -6.837 -4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.310 -6.638 -6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.975 -6.136 -7.019 1.00 0.00 H new ATOM 513 N PHE A 53 -3.296 -4.638 -4.625 1.00 0.00 N ATOM 514 CA PHE A 53 -2.853 -3.369 -4.012 1.00 0.00 C ATOM 515 C PHE A 53 -2.302 -3.566 -2.590 1.00 0.00 C ATOM 516 O PHE A 53 -2.957 -4.098 -1.690 1.00 0.00 O ATOM 517 CB PHE A 53 -4.008 -2.356 -3.934 1.00 0.00 C ATOM 518 CG PHE A 53 -3.579 -0.916 -4.240 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.524 -0.296 -3.538 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.227 -0.250 -5.302 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.100 0.990 -3.902 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.807 1.046 -5.675 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.744 1.651 -4.970 1.00 0.00 C ATOM 0 H PHE A 53 -3.185 -5.437 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.058 -2.992 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.788 -2.651 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.446 -2.392 -2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.043 -0.812 -2.720 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.040 -0.729 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.290 1.469 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.292 1.566 -6.488 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.417 2.640 -5.254 1.00 0.00 H new ATOM 525 N VAL A 54 -1.113 -3.004 -2.399 1.00 0.00 N ATOM 526 CA VAL A 54 -0.385 -3.052 -1.116 1.00 0.00 C ATOM 527 C VAL A 54 -0.259 -1.600 -0.602 1.00 0.00 C ATOM 528 O VAL A 54 0.407 -0.752 -1.194 1.00 0.00 O ATOM 529 CB VAL A 54 1.029 -3.665 -1.269 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.690 -3.845 0.101 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.987 -5.031 -1.964 1.00 0.00 C ATOM 0 H VAL A 54 -0.615 -2.496 -3.130 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.935 -3.684 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 54 1.605 -2.971 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.682 -4.277 -0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.777 -2.876 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.082 -4.510 0.714 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.999 -5.426 -2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.378 -5.719 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.554 -4.920 -2.958 1.00 0.00 H new ATOM 533 N ILE A 55 -0.895 -1.390 0.541 1.00 0.00 N ATOM 534 CA ILE A 55 -0.898 -0.092 1.244 1.00 0.00 C ATOM 535 C ILE A 55 0.009 -0.294 2.467 1.00 0.00 C ATOM 536 O ILE A 55 -0.371 -0.963 3.432 1.00 0.00 O ATOM 537 CB ILE A 55 -2.354 0.325 1.536 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.047 0.711 0.215 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.407 1.464 2.572 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.551 0.935 0.335 1.00 0.00 C ATOM 0 H ILE A 55 -1.431 -2.114 1.020 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.501 0.744 0.669 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.892 -0.516 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.586 1.620 -0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.866 -0.074 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.445 1.738 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.946 1.131 3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.867 2.330 2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.958 1.203 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.028 0.021 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.743 1.742 1.042 1.00 0.00 H new ATOM 542 N SER A 56 1.257 0.157 2.324 1.00 0.00 N ATOM 543 CA SER A 56 2.259 -0.016 3.389 1.00 0.00 C ATOM 544 C SER A 56 2.858 1.240 4.017 1.00 0.00 C ATOM 545 O SER A 56 3.349 2.146 3.348 1.00 0.00 O ATOM 546 CB SER A 56 3.383 -0.980 2.992 1.00 0.00 C ATOM 547 OG SER A 56 4.119 -1.301 4.177 1.00 0.00 O ATOM 0 H SER A 56 1.600 0.640 1.493 1.00 0.00 H new ATOM 0 HA SER A 56 1.643 -0.447 4.179 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.971 -1.883 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.035 -0.522 2.249 1.00 0.00 H new ATOM 0 HG SER A 56 3.548 -1.169 4.963 1.00 0.00 H new ATOM 550 N ASP A 57 2.759 1.236 5.334 1.00 0.00 N ATOM 551 CA ASP A 57 3.276 2.286 6.226 1.00 0.00 C ATOM 552 C ASP A 57 4.810 2.229 6.313 1.00 0.00 C ATOM 553 O ASP A 57 5.387 1.214 6.719 1.00 0.00 O ATOM 554 CB ASP A 57 2.512 2.106 7.541 1.00 0.00 C ATOM 555 CG ASP A 57 3.258 2.283 8.864 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.080 3.217 8.975 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.935 1.472 9.762 1.00 0.00 O ATOM 0 H ASP A 57 2.301 0.478 5.841 1.00 0.00 H new ATOM 0 HA ASP A 57 3.104 3.300 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.679 2.810 7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.083 1.104 7.537 1.00 0.00 H new ATOM 559 N TRP A 58 5.424 3.379 6.085 1.00 0.00 N ATOM 560 CA TRP A 58 6.902 3.541 6.079 1.00 0.00 C ATOM 561 C TRP A 58 7.610 2.938 7.304 1.00 0.00 C ATOM 562 O TRP A 58 8.462 2.059 7.145 1.00 0.00 O ATOM 563 CB TRP A 58 7.250 5.037 5.947 1.00 0.00 C ATOM 564 CG TRP A 58 8.621 5.259 5.302 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.787 5.314 5.942 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.889 5.388 3.946 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.785 5.451 5.066 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.278 5.501 3.831 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.069 5.370 2.794 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.893 5.606 2.557 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.687 5.466 1.531 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.088 5.572 1.414 1.00 0.00 C ATOM 0 H TRP A 58 4.921 4.246 5.895 1.00 0.00 H new ATOM 0 HA TRP A 58 7.271 2.978 5.222 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.485 5.535 5.351 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.236 5.500 6.934 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.908 5.256 7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.776 5.508 5.302 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.996 5.285 2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.965 5.710 2.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.078 5.458 0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.542 5.627 0.436 1.00 0.00 H new ATOM 575 N ASN A 59 7.079 3.235 8.495 1.00 0.00 N ATOM 576 CA ASN A 59 7.633 2.746 9.772 1.00 0.00 C ATOM 577 C ASN A 59 6.925 1.436 10.160 1.00 0.00 C ATOM 578 O ASN A 59 5.741 1.411 10.506 1.00 0.00 O ATOM 579 CB ASN A 59 7.445 3.810 10.861 1.00 0.00 C ATOM 580 CG ASN A 59 8.265 3.487 12.119 1.00 0.00 C ATOM 581 OD1 ASN A 59 9.486 3.485 12.122 1.00 0.00 O ATOM 582 ND2 ASN A 59 7.608 3.171 13.210 1.00 0.00 N ATOM 0 H ASN A 59 6.252 3.822 8.606 1.00 0.00 H new ATOM 0 HA ASN A 59 8.700 2.553 9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.742 4.784 10.473 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.389 3.880 11.123 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.117 2.924 14.059 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.588 3.172 13.209 1.00 0.00 H new ATOM 586 N MET A 60 7.674 0.348 10.006 1.00 0.00 N ATOM 587 CA MET A 60 7.209 -1.022 10.292 1.00 0.00 C ATOM 588 C MET A 60 8.346 -1.907 10.836 1.00 0.00 C ATOM 589 O MET A 60 9.456 -1.838 10.304 1.00 0.00 O ATOM 590 CB MET A 60 6.643 -1.580 8.970 1.00 0.00 C ATOM 591 CG MET A 60 5.133 -1.355 8.827 1.00 0.00 C ATOM 592 SD MET A 60 4.475 -1.599 7.141 1.00 0.00 S ATOM 593 CE MET A 60 5.638 -2.702 6.348 1.00 0.00 C ATOM 0 H MET A 60 8.638 0.385 9.674 1.00 0.00 H new ATOM 0 HA MET A 60 6.444 -1.014 11.069 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.157 -1.108 8.132 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.853 -2.648 8.912 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.614 -2.032 9.505 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.900 -0.340 9.149 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.132 -3.257 5.558 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.455 -2.122 5.919 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.036 -3.401 7.084 1.00 0.00 H new ATOM 595 N PRO A 61 8.113 -2.674 11.920 1.00 0.00 N ATOM 596 CA PRO A 61 9.135 -3.556 12.526 1.00 0.00 C ATOM 597 C PRO A 61 9.511 -4.719 11.600 1.00 0.00 C ATOM 598 O PRO A 61 8.700 -5.190 10.806 1.00 0.00 O ATOM 599 CB PRO A 61 8.507 -4.049 13.832 1.00 0.00 C ATOM 600 CG PRO A 61 7.007 -3.972 13.581 1.00 0.00 C ATOM 601 CD PRO A 61 6.861 -2.734 12.693 1.00 0.00 C ATOM 0 HA PRO A 61 10.071 -3.026 12.701 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.820 -5.067 14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.802 -3.425 14.676 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.636 -4.869 13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.448 -3.868 14.511 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.995 -2.818 12.037 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.722 -1.833 13.291 1.00 0.00 H new ATOM 602 N ASN A 62 10.787 -5.107 11.695 1.00 0.00 N ATOM 603 CA ASN A 62 11.428 -6.198 10.923 1.00 0.00 C ATOM 604 C ASN A 62 11.588 -5.810 9.451 1.00 0.00 C ATOM 605 O ASN A 62 12.669 -5.373 9.045 1.00 0.00 O ATOM 606 CB ASN A 62 10.717 -7.553 11.114 1.00 0.00 C ATOM 607 CG ASN A 62 10.605 -7.940 12.590 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.860 -7.372 13.366 1.00 0.00 O ATOM 609 ND2 ASN A 62 11.365 -8.932 13.017 1.00 0.00 N ATOM 0 H ASN A 62 11.437 -4.655 12.338 1.00 0.00 H new ATOM 0 HA ASN A 62 12.431 -6.339 11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.720 -7.504 10.676 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.264 -8.328 10.577 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.326 -9.220 13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.991 -9.410 12.369 1.00 0.00 H new ATOM 613 N MET A 63 10.483 -5.786 8.704 1.00 0.00 N ATOM 614 CA MET A 63 10.470 -5.382 7.288 1.00 0.00 C ATOM 615 C MET A 63 9.605 -4.121 7.142 1.00 0.00 C ATOM 616 O MET A 63 8.386 -4.163 7.319 1.00 0.00 O ATOM 617 CB MET A 63 9.972 -6.548 6.428 1.00 0.00 C ATOM 618 CG MET A 63 10.181 -6.292 4.933 1.00 0.00 C ATOM 619 SD MET A 63 9.622 -7.670 3.864 1.00 0.00 S ATOM 620 CE MET A 63 10.822 -8.916 4.257 1.00 0.00 C ATOM 0 H MET A 63 9.564 -6.047 9.062 1.00 0.00 H new ATOM 0 HA MET A 63 11.473 -5.137 6.940 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.496 -7.460 6.716 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.912 -6.714 6.622 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.646 -5.385 4.651 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.240 -6.108 4.750 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.736 -9.740 3.549 1.00 0.00 H new ATOM 0 HE2 MET A 63 11.823 -8.489 4.196 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.646 -9.285 5.267 1.00 0.00 H new ATOM 622 N ASP A 64 10.322 -2.997 7.119 1.00 0.00 N ATOM 623 CA ASP A 64 9.722 -1.646 6.970 1.00 0.00 C ATOM 624 C ASP A 64 9.026 -1.427 5.619 1.00 0.00 C ATOM 625 O ASP A 64 9.321 -2.159 4.675 1.00 0.00 O ATOM 626 CB ASP A 64 10.778 -0.552 7.260 1.00 0.00 C ATOM 627 CG ASP A 64 11.917 -0.527 6.235 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.647 -0.004 5.127 1.00 0.00 O ATOM 629 OD2 ASP A 64 12.973 -1.103 6.528 1.00 0.00 O ATOM 0 H ASP A 64 11.339 -2.984 7.202 1.00 0.00 H new ATOM 0 HA ASP A 64 8.928 -1.571 7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.289 0.422 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.195 -0.713 8.254 1.00 0.00 H new ATOM 631 N GLY A 65 8.265 -0.334 5.486 1.00 0.00 N ATOM 632 CA GLY A 65 7.516 0.026 4.262 1.00 0.00 C ATOM 633 C GLY A 65 8.346 -0.033 2.977 1.00 0.00 C ATOM 634 O GLY A 65 8.091 -0.864 2.095 1.00 0.00 O ATOM 0 H GLY A 65 8.146 0.344 6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.663 -0.645 4.161 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.117 1.034 4.377 1.00 0.00 H new ATOM 636 N LEU A 66 9.448 0.716 2.962 1.00 0.00 N ATOM 637 CA LEU A 66 10.387 0.784 1.825 1.00 0.00 C ATOM 638 C LEU A 66 11.027 -0.577 1.492 1.00 0.00 C ATOM 639 O LEU A 66 11.172 -0.952 0.328 1.00 0.00 O ATOM 640 CB LEU A 66 11.399 1.881 2.184 1.00 0.00 C ATOM 641 CG LEU A 66 12.516 2.073 1.158 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.019 2.443 -0.246 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.448 3.190 1.635 1.00 0.00 C ATOM 0 H LEU A 66 9.725 1.304 3.748 1.00 0.00 H new ATOM 0 HA LEU A 66 9.871 1.037 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.866 2.824 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.846 1.643 3.149 1.00 0.00 H new ATOM 0 HG LEU A 66 13.023 1.111 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.872 2.561 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.370 1.652 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.462 3.379 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.247 3.332 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.883 4.116 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.879 2.918 2.599 1.00 0.00 H new ATOM 645 N GLU A 67 11.335 -1.351 2.534 1.00 0.00 N ATOM 646 CA GLU A 67 11.905 -2.712 2.398 1.00 0.00 C ATOM 647 C GLU A 67 10.870 -3.693 1.804 1.00 0.00 C ATOM 648 O GLU A 67 11.206 -4.522 0.965 1.00 0.00 O ATOM 649 CB GLU A 67 12.373 -3.177 3.770 1.00 0.00 C ATOM 650 CG GLU A 67 13.399 -4.308 3.681 1.00 0.00 C ATOM 651 CD GLU A 67 13.787 -4.891 5.047 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.389 -4.318 6.085 1.00 0.00 O ATOM 653 OE2 GLU A 67 14.456 -5.947 5.014 1.00 0.00 O ATOM 0 H GLU A 67 11.200 -1.060 3.502 1.00 0.00 H new ATOM 0 HA GLU A 67 12.750 -2.687 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.810 -2.335 4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.514 -3.514 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.996 -5.105 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.296 -3.936 3.185 1.00 0.00 H new ATOM 655 N LEU A 68 9.611 -3.537 2.231 1.00 0.00 N ATOM 656 CA LEU A 68 8.471 -4.336 1.740 1.00 0.00 C ATOM 657 C LEU A 68 8.216 -4.058 0.242 1.00 0.00 C ATOM 658 O LEU A 68 7.975 -4.964 -0.544 1.00 0.00 O ATOM 659 CB LEU A 68 7.234 -4.031 2.600 1.00 0.00 C ATOM 660 CG LEU A 68 5.980 -4.806 2.142 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.152 -6.319 2.240 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.793 -4.365 2.987 1.00 0.00 C ATOM 0 H LEU A 68 9.348 -2.847 2.934 1.00 0.00 H new ATOM 0 HA LEU A 68 8.699 -5.398 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.450 -4.280 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.027 -2.961 2.564 1.00 0.00 H new ATOM 0 HG LEU A 68 5.813 -4.576 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.239 -6.811 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.985 -6.632 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.355 -6.596 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.901 -4.906 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.995 -4.578 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.632 -3.295 2.858 1.00 0.00 H new ATOM 664 N LEU A 69 8.363 -2.792 -0.137 1.00 0.00 N ATOM 665 CA LEU A 69 8.253 -2.330 -1.535 1.00 0.00 C ATOM 666 C LEU A 69 9.153 -3.212 -2.437 1.00 0.00 C ATOM 667 O LEU A 69 8.660 -3.952 -3.279 1.00 0.00 O ATOM 668 CB LEU A 69 8.714 -0.871 -1.446 1.00 0.00 C ATOM 669 CG LEU A 69 8.473 0.028 -2.654 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.779 1.465 -2.237 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.344 -0.338 -3.846 1.00 0.00 C ATOM 0 H LEU A 69 8.565 -2.040 0.521 1.00 0.00 H new ATOM 0 HA LEU A 69 7.258 -2.403 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.221 -0.416 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.784 -0.870 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 69 7.436 -0.095 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.615 2.132 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.123 1.753 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.818 1.537 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.128 0.336 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.395 -0.249 -3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.134 -1.364 -4.148 1.00 0.00 H new ATOM 673 N LYS A 70 10.404 -3.367 -1.992 1.00 0.00 N ATOM 674 CA LYS A 70 11.431 -4.184 -2.671 1.00 0.00 C ATOM 675 C LYS A 70 11.056 -5.672 -2.808 1.00 0.00 C ATOM 676 O LYS A 70 11.147 -6.228 -3.896 1.00 0.00 O ATOM 677 CB LYS A 70 12.758 -4.079 -1.915 1.00 0.00 C ATOM 678 CG LYS A 70 13.278 -2.643 -1.839 1.00 0.00 C ATOM 679 CD LYS A 70 14.531 -2.570 -0.967 1.00 0.00 C ATOM 680 CE LYS A 70 14.986 -1.128 -0.811 1.00 0.00 C ATOM 681 NZ LYS A 70 16.213 -1.096 -0.010 1.00 0.00 N ATOM 0 H LYS A 70 10.743 -2.924 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 70 11.515 -3.782 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.629 -4.469 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.502 -4.706 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.504 -2.279 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.505 -1.992 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.325 -3.001 0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.328 -3.163 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.164 -0.682 -1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.207 -0.538 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.530 -0.112 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.027 -1.507 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.954 -1.647 -0.488 1.00 0.00 H new ATOM 686 N THR A 71 10.502 -6.242 -1.736 1.00 0.00 N ATOM 687 CA THR A 71 10.084 -7.667 -1.664 1.00 0.00 C ATOM 688 C THR A 71 8.869 -7.983 -2.553 1.00 0.00 C ATOM 689 O THR A 71 8.568 -9.162 -2.779 1.00 0.00 O ATOM 690 CB THR A 71 9.956 -8.129 -0.214 1.00 0.00 C ATOM 691 OG1 THR A 71 9.063 -7.294 0.527 1.00 0.00 O ATOM 692 CG2 THR A 71 11.326 -8.190 0.455 1.00 0.00 C ATOM 0 H THR A 71 10.323 -5.729 -0.873 1.00 0.00 H new ATOM 0 HA THR A 71 10.880 -8.272 -2.098 1.00 0.00 H new ATOM 0 HB THR A 71 9.532 -9.133 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.734 -6.573 -0.050 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.212 -8.521 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.963 -8.892 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.783 -7.200 0.440 1.00 0.00 H new ATOM 695 N ILE A 72 8.169 -6.952 -3.013 1.00 0.00 N ATOM 696 CA ILE A 72 7.037 -7.046 -3.958 1.00 0.00 C ATOM 697 C ILE A 72 7.602 -6.883 -5.383 1.00 0.00 C ATOM 698 O ILE A 72 7.607 -7.841 -6.161 1.00 0.00 O ATOM 699 CB ILE A 72 5.963 -5.983 -3.634 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.481 -6.115 -2.177 1.00 0.00 C ATOM 701 CG2 ILE A 72 4.758 -6.110 -4.576 1.00 0.00 C ATOM 702 CD1 ILE A 72 4.921 -4.808 -1.618 1.00 0.00 C ATOM 0 H ILE A 72 8.372 -5.992 -2.736 1.00 0.00 H new ATOM 0 HA ILE A 72 6.543 -8.014 -3.873 1.00 0.00 H new ATOM 0 HB ILE A 72 6.423 -5.005 -3.774 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.713 -6.887 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.311 -6.446 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.018 -5.350 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.085 -5.972 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.313 -7.099 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.597 -4.962 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.694 -4.040 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.072 -4.488 -2.222 1.00 0.00 H new ATOM 704 N ARG A 73 8.329 -5.780 -5.583 1.00 0.00 N ATOM 705 CA ARG A 73 9.001 -5.375 -6.848 1.00 0.00 C ATOM 706 C ARG A 73 9.873 -6.501 -7.449 1.00 0.00 C ATOM 707 O ARG A 73 9.676 -6.917 -8.586 1.00 0.00 O ATOM 708 CB ARG A 73 9.794 -4.087 -6.643 1.00 0.00 C ATOM 709 CG ARG A 73 8.941 -2.870 -7.021 1.00 0.00 C ATOM 710 CD ARG A 73 7.744 -2.649 -6.083 1.00 0.00 C ATOM 711 NE ARG A 73 6.695 -1.940 -6.819 1.00 0.00 N ATOM 712 CZ ARG A 73 5.589 -2.495 -7.318 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.301 -3.779 -7.151 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.737 -1.752 -8.017 1.00 0.00 N ATOM 0 H ARG A 73 8.480 -5.102 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 73 8.220 -5.181 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.111 -4.009 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.699 -4.108 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.569 -1.979 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.576 -2.994 -8.041 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.369 -3.605 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.049 -2.072 -5.210 1.00 0.00 H new ATOM 0 HE ARG A 73 6.820 -0.938 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.936 -4.380 -6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.445 -4.166 -7.548 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.930 -0.762 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.890 -2.172 -8.401 1.00 0.00 H new ATOM 721 N ALA A 74 10.769 -7.042 -6.617 1.00 0.00 N ATOM 722 CA ALA A 74 11.705 -8.118 -6.998 1.00 0.00 C ATOM 723 C ALA A 74 11.110 -9.545 -7.060 1.00 0.00 C ATOM 724 O ALA A 74 11.675 -10.431 -7.698 1.00 0.00 O ATOM 725 CB ALA A 74 12.885 -8.100 -6.032 1.00 0.00 C ATOM 0 H ALA A 74 10.870 -6.745 -5.647 1.00 0.00 H new ATOM 0 HA ALA A 74 12.000 -7.899 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.587 -8.890 -6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.387 -7.134 -6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.526 -8.263 -5.016 1.00 0.00 H new ATOM 727 N ASP A 75 9.921 -9.736 -6.488 1.00 0.00 N ATOM 728 CA ASP A 75 9.253 -11.059 -6.422 1.00 0.00 C ATOM 729 C ASP A 75 8.412 -11.341 -7.684 1.00 0.00 C ATOM 730 O ASP A 75 7.180 -11.409 -7.640 1.00 0.00 O ATOM 731 CB ASP A 75 8.411 -11.080 -5.140 1.00 0.00 C ATOM 732 CG ASP A 75 8.018 -12.484 -4.678 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.214 -13.129 -5.390 1.00 0.00 O ATOM 734 OD2 ASP A 75 8.528 -12.913 -3.622 1.00 0.00 O ATOM 0 H ASP A 75 9.384 -8.985 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 75 9.993 -11.858 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.969 -10.589 -4.343 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.506 -10.495 -5.302 1.00 0.00 H new ATOM 736 N GLY A 76 9.131 -11.675 -8.761 1.00 0.00 N ATOM 737 CA GLY A 76 8.610 -12.013 -10.108 1.00 0.00 C ATOM 738 C GLY A 76 7.306 -11.304 -10.500 1.00 0.00 C ATOM 739 O GLY A 76 7.276 -10.087 -10.673 1.00 0.00 O ATOM 0 H GLY A 76 10.149 -11.722 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.373 -11.770 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.449 -13.090 -10.158 1.00 0.00 H new ATOM 741 N ALA A 77 6.226 -12.055 -10.353 1.00 0.00 N ATOM 742 CA ALA A 77 4.842 -11.622 -10.673 1.00 0.00 C ATOM 743 C ALA A 77 4.301 -10.440 -9.845 1.00 0.00 C ATOM 744 O ALA A 77 3.601 -9.581 -10.372 1.00 0.00 O ATOM 745 CB ALA A 77 3.891 -12.819 -10.538 1.00 0.00 C ATOM 0 H ALA A 77 6.271 -13.011 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 77 4.889 -11.251 -11.697 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.874 -12.504 -10.772 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.196 -13.605 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.927 -13.199 -9.517 1.00 0.00 H new ATOM 747 N MET A 78 4.760 -10.341 -8.600 1.00 0.00 N ATOM 748 CA MET A 78 4.363 -9.278 -7.653 1.00 0.00 C ATOM 749 C MET A 78 4.754 -7.850 -8.092 1.00 0.00 C ATOM 750 O MET A 78 4.085 -6.893 -7.695 1.00 0.00 O ATOM 751 CB MET A 78 4.867 -9.577 -6.242 1.00 0.00 C ATOM 752 CG MET A 78 4.182 -10.794 -5.608 1.00 0.00 C ATOM 753 SD MET A 78 4.712 -11.118 -3.885 1.00 0.00 S ATOM 754 CE MET A 78 3.979 -9.744 -3.036 1.00 0.00 C ATOM 0 H MET A 78 5.429 -11.002 -8.205 1.00 0.00 H new ATOM 0 HA MET A 78 3.273 -9.291 -7.651 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.943 -9.748 -6.275 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.702 -8.704 -5.610 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.103 -10.643 -5.625 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.390 -11.675 -6.215 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.641 -10.064 -2.050 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.716 -8.949 -2.926 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.129 -9.374 -3.609 1.00 0.00 H new ATOM 756 N SER A 79 5.693 -7.759 -9.032 1.00 0.00 N ATOM 757 CA SER A 79 6.181 -6.493 -9.622 1.00 0.00 C ATOM 758 C SER A 79 5.077 -5.574 -10.185 1.00 0.00 C ATOM 759 O SER A 79 5.269 -4.369 -10.313 1.00 0.00 O ATOM 760 CB SER A 79 7.162 -6.809 -10.763 1.00 0.00 C ATOM 761 OG SER A 79 6.483 -7.564 -11.779 1.00 0.00 O ATOM 0 H SER A 79 6.154 -8.581 -9.422 1.00 0.00 H new ATOM 0 HA SER A 79 6.653 -5.953 -8.801 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.557 -5.885 -11.184 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.012 -7.374 -10.381 1.00 0.00 H new ATOM 0 HG SER A 79 6.598 -8.522 -11.607 1.00 0.00 H new ATOM 764 N ALA A 80 3.964 -6.182 -10.590 1.00 0.00 N ATOM 765 CA ALA A 80 2.784 -5.481 -11.136 1.00 0.00 C ATOM 766 C ALA A 80 1.770 -4.992 -10.079 1.00 0.00 C ATOM 767 O ALA A 80 0.979 -4.089 -10.358 1.00 0.00 O ATOM 768 CB ALA A 80 2.077 -6.407 -12.138 1.00 0.00 C ATOM 0 H ALA A 80 3.846 -7.194 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 80 3.162 -4.577 -11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.204 -5.900 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.763 -6.660 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.762 -7.319 -11.631 1.00 0.00 H new ATOM 770 N LEU A 81 1.871 -5.526 -8.862 1.00 0.00 N ATOM 771 CA LEU A 81 0.957 -5.185 -7.751 1.00 0.00 C ATOM 772 C LEU A 81 1.294 -3.815 -7.145 1.00 0.00 C ATOM 773 O LEU A 81 2.317 -3.672 -6.470 1.00 0.00 O ATOM 774 CB LEU A 81 0.935 -6.293 -6.676 1.00 0.00 C ATOM 775 CG LEU A 81 0.451 -7.641 -7.241 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.515 -8.696 -6.134 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.968 -7.575 -7.817 1.00 0.00 C ATOM 0 H LEU A 81 2.586 -6.208 -8.610 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.049 -5.117 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.935 -6.413 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.283 -5.989 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 81 1.110 -7.906 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.174 -9.655 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.542 -8.792 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.125 -8.393 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.251 -8.556 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.665 -7.275 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.998 -6.847 -8.628 1.00 0.00 H new ATOM 779 N PRO A 82 0.400 -2.827 -7.344 1.00 0.00 N ATOM 780 CA PRO A 82 0.600 -1.443 -6.871 1.00 0.00 C ATOM 781 C PRO A 82 0.944 -1.300 -5.380 1.00 0.00 C ATOM 782 O PRO A 82 0.236 -1.777 -4.501 1.00 0.00 O ATOM 783 CB PRO A 82 -0.691 -0.699 -7.224 1.00 0.00 C ATOM 784 CG PRO A 82 -1.720 -1.788 -7.529 1.00 0.00 C ATOM 785 CD PRO A 82 -0.897 -2.973 -8.018 1.00 0.00 C ATOM 0 HA PRO A 82 1.480 -1.025 -7.360 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.020 -0.069 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.545 -0.045 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.298 -2.047 -6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.431 -1.460 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.373 -3.919 -7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.784 -2.957 -9.102 1.00 0.00 H new ATOM 786 N VAL A 83 2.002 -0.520 -5.175 1.00 0.00 N ATOM 787 CA VAL A 83 2.570 -0.227 -3.848 1.00 0.00 C ATOM 788 C VAL A 83 2.389 1.268 -3.492 1.00 0.00 C ATOM 789 O VAL A 83 2.997 2.158 -4.084 1.00 0.00 O ATOM 790 CB VAL A 83 4.060 -0.630 -3.811 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.669 -0.415 -2.424 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.255 -2.113 -4.152 1.00 0.00 C ATOM 0 H VAL A 83 2.503 -0.062 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 83 2.035 -0.812 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 83 4.552 0.002 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.718 -0.710 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.591 0.638 -2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.132 -1.019 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.316 -2.358 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.716 -2.726 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.871 -2.310 -5.153 1.00 0.00 H new ATOM 794 N LEU A 84 1.636 1.462 -2.417 1.00 0.00 N ATOM 795 CA LEU A 84 1.330 2.793 -1.861 1.00 0.00 C ATOM 796 C LEU A 84 2.059 2.950 -0.520 1.00 0.00 C ATOM 797 O LEU A 84 1.820 2.202 0.431 1.00 0.00 O ATOM 798 CB LEU A 84 -0.190 2.939 -1.690 1.00 0.00 C ATOM 799 CG LEU A 84 -0.628 4.316 -1.188 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.352 5.425 -2.205 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.131 4.287 -0.899 1.00 0.00 C ATOM 0 H LEU A 84 1.211 0.697 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 84 1.671 3.577 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.674 2.741 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.542 2.180 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.052 4.533 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.682 6.381 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.717 5.469 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.894 5.216 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.452 5.265 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.672 4.040 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.341 3.535 -0.138 1.00 0.00 H new ATOM 803 N MET A 85 3.000 3.890 -0.505 1.00 0.00 N ATOM 804 CA MET A 85 3.822 4.208 0.675 1.00 0.00 C ATOM 805 C MET A 85 3.209 5.244 1.610 1.00 0.00 C ATOM 806 O MET A 85 3.229 6.456 1.374 1.00 0.00 O ATOM 807 CB MET A 85 5.217 4.608 0.197 1.00 0.00 C ATOM 808 CG MET A 85 6.058 3.389 -0.210 1.00 0.00 C ATOM 809 SD MET A 85 6.549 2.363 1.225 1.00 0.00 S ATOM 810 CE MET A 85 5.680 0.864 0.830 1.00 0.00 C ATOM 0 H MET A 85 3.221 4.464 -1.319 1.00 0.00 H new ATOM 0 HA MET A 85 3.880 3.312 1.293 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.129 5.287 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.729 5.153 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.490 2.778 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.952 3.727 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.852 0.126 1.614 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.612 1.071 0.755 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.041 0.474 -0.121 1.00 0.00 H new ATOM 812 N VAL A 86 2.699 4.752 2.722 1.00 0.00 N ATOM 813 CA VAL A 86 2.069 5.615 3.737 1.00 0.00 C ATOM 814 C VAL A 86 3.180 6.135 4.669 1.00 0.00 C ATOM 815 O VAL A 86 3.644 5.469 5.590 1.00 0.00 O ATOM 816 CB VAL A 86 0.962 4.939 4.540 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.115 6.015 5.227 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.001 4.107 3.679 1.00 0.00 C ATOM 0 H VAL A 86 2.702 3.760 2.958 1.00 0.00 H new ATOM 0 HA VAL A 86 1.570 6.431 3.214 1.00 0.00 H new ATOM 0 HB VAL A 86 1.462 4.274 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.679 5.540 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.745 6.603 5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.325 6.668 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.760 3.656 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.478 4.752 2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.558 3.322 3.167 1.00 0.00 H new ATOM 820 N THR A 87 3.574 7.359 4.377 1.00 0.00 N ATOM 821 CA THR A 87 4.665 8.058 5.084 1.00 0.00 C ATOM 822 C THR A 87 4.215 9.387 5.687 1.00 0.00 C ATOM 823 O THR A 87 3.575 10.207 5.030 1.00 0.00 O ATOM 824 CB THR A 87 5.905 8.243 4.192 1.00 0.00 C ATOM 825 OG1 THR A 87 6.886 9.039 4.878 1.00 0.00 O ATOM 826 CG2 THR A 87 5.600 8.761 2.775 1.00 0.00 C ATOM 0 H THR A 87 3.149 7.915 3.635 1.00 0.00 H new ATOM 0 HA THR A 87 4.950 7.412 5.914 1.00 0.00 H new ATOM 0 HB THR A 87 6.320 7.250 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.010 9.887 4.403 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.530 8.862 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.944 8.057 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.109 9.732 2.840 1.00 0.00 H new ATOM 829 N ALA A 88 4.514 9.559 6.968 1.00 0.00 N ATOM 830 CA ALA A 88 4.210 10.800 7.710 1.00 0.00 C ATOM 831 C ALA A 88 5.013 12.002 7.182 1.00 0.00 C ATOM 832 O ALA A 88 4.494 13.099 7.041 1.00 0.00 O ATOM 833 CB ALA A 88 4.505 10.583 9.202 1.00 0.00 C ATOM 0 H ALA A 88 4.976 8.847 7.533 1.00 0.00 H new ATOM 0 HA ALA A 88 3.154 11.030 7.565 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.282 11.496 9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.886 9.770 9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.557 10.328 9.332 1.00 0.00 H new ATOM 835 N GLU A 89 6.225 11.703 6.704 1.00 0.00 N ATOM 836 CA GLU A 89 7.157 12.711 6.185 1.00 0.00 C ATOM 837 C GLU A 89 7.282 12.650 4.663 1.00 0.00 C ATOM 838 O GLU A 89 7.880 11.727 4.090 1.00 0.00 O ATOM 839 CB GLU A 89 8.529 12.549 6.847 1.00 0.00 C ATOM 840 CG GLU A 89 8.494 12.884 8.333 1.00 0.00 C ATOM 841 CD GLU A 89 9.699 12.288 9.045 1.00 0.00 C ATOM 842 OE1 GLU A 89 9.649 11.064 9.299 1.00 0.00 O ATOM 843 OE2 GLU A 89 10.670 13.038 9.271 1.00 0.00 O ATOM 0 H GLU A 89 6.589 10.751 6.666 1.00 0.00 H new ATOM 0 HA GLU A 89 6.753 13.693 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 89 8.875 11.524 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.250 13.196 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.484 13.966 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.576 12.499 8.777 1.00 0.00 H new ATOM 845 N ALA A 90 6.675 13.646 4.035 1.00 0.00 N ATOM 846 CA ALA A 90 6.710 13.815 2.575 1.00 0.00 C ATOM 847 C ALA A 90 7.909 14.731 2.253 1.00 0.00 C ATOM 848 O ALA A 90 7.800 15.920 1.947 1.00 0.00 O ATOM 849 CB ALA A 90 5.383 14.401 2.090 1.00 0.00 C ATOM 0 H ALA A 90 6.140 14.367 4.519 1.00 0.00 H new ATOM 0 HA ALA A 90 6.836 12.863 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.414 14.524 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.569 13.727 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.219 15.370 2.561 1.00 0.00 H new ATOM 851 N LYS A 91 9.068 14.151 2.547 1.00 0.00 N ATOM 852 CA LYS A 91 10.373 14.800 2.374 1.00 0.00 C ATOM 853 C LYS A 91 11.216 14.068 1.332 1.00 0.00 C ATOM 854 O LYS A 91 11.144 12.841 1.214 1.00 0.00 O ATOM 855 CB LYS A 91 11.158 14.811 3.695 1.00 0.00 C ATOM 856 CG LYS A 91 10.509 15.723 4.745 1.00 0.00 C ATOM 857 CD LYS A 91 11.403 15.751 5.983 1.00 0.00 C ATOM 858 CE LYS A 91 10.795 16.615 7.083 1.00 0.00 C ATOM 859 NZ LYS A 91 11.749 16.645 8.202 1.00 0.00 N ATOM 0 H LYS A 91 9.134 13.203 2.918 1.00 0.00 H new ATOM 0 HA LYS A 91 10.179 15.821 2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.222 13.796 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.179 15.145 3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.383 16.730 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.516 15.356 5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.548 14.736 6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.387 16.137 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.603 17.623 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.838 16.206 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.363 17.228 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.909 15.677 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.650 17.051 7.879 1.00 0.00 H new ATOM 864 N LYS A 92 12.071 14.857 0.687 1.00 0.00 N ATOM 865 CA LYS A 92 13.006 14.431 -0.372 1.00 0.00 C ATOM 866 C LYS A 92 13.564 13.001 -0.204 1.00 0.00 C ATOM 867 O LYS A 92 13.222 12.149 -1.014 1.00 0.00 O ATOM 868 CB LYS A 92 14.122 15.477 -0.406 1.00 0.00 C ATOM 869 CG LYS A 92 15.161 15.233 -1.506 1.00 0.00 C ATOM 870 CD LYS A 92 16.306 16.224 -1.348 1.00 0.00 C ATOM 871 CE LYS A 92 17.422 15.918 -2.333 1.00 0.00 C ATOM 872 NZ LYS A 92 18.483 16.915 -2.150 1.00 0.00 N ATOM 0 H LYS A 92 12.141 15.854 0.890 1.00 0.00 H new ATOM 0 HA LYS A 92 12.468 14.376 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.680 16.463 -0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.625 15.490 0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.538 14.212 -1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.701 15.345 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.940 17.238 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.692 16.182 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.811 14.914 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.045 15.948 -3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.258 16.723 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 18.101 17.866 -2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 18.843 16.864 -1.176 1.00 0.00 H new ATOM 877 N GLU A 93 14.223 12.720 0.925 1.00 0.00 N ATOM 878 CA GLU A 93 14.801 11.391 1.216 1.00 0.00 C ATOM 879 C GLU A 93 13.795 10.225 1.044 1.00 0.00 C ATOM 880 O GLU A 93 14.010 9.385 0.174 1.00 0.00 O ATOM 881 CB GLU A 93 15.451 11.367 2.601 1.00 0.00 C ATOM 882 CG GLU A 93 16.922 11.815 2.582 1.00 0.00 C ATOM 883 CD GLU A 93 17.161 13.251 2.092 1.00 0.00 C ATOM 884 OE1 GLU A 93 16.339 14.139 2.423 1.00 0.00 O ATOM 885 OE2 GLU A 93 18.170 13.436 1.373 1.00 0.00 O ATOM 0 H GLU A 93 14.374 13.403 1.667 1.00 0.00 H new ATOM 0 HA GLU A 93 15.574 11.226 0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.888 12.016 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.390 10.358 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.327 11.719 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.485 11.132 1.946 1.00 0.00 H new ATOM 887 N ASN A 94 12.637 10.338 1.689 1.00 0.00 N ATOM 888 CA ASN A 94 11.559 9.331 1.604 1.00 0.00 C ATOM 889 C ASN A 94 11.039 9.183 0.169 1.00 0.00 C ATOM 890 O ASN A 94 11.110 8.105 -0.414 1.00 0.00 O ATOM 891 CB ASN A 94 10.379 9.689 2.519 1.00 0.00 C ATOM 892 CG ASN A 94 10.773 9.764 3.997 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.352 10.732 4.462 1.00 0.00 O ATOM 894 ND2 ASN A 94 10.478 8.720 4.749 1.00 0.00 N ATOM 0 H ASN A 94 12.410 11.130 2.290 1.00 0.00 H new ATOM 0 HA ASN A 94 11.995 8.387 1.930 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.964 10.648 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.591 8.946 2.395 1.00 0.00 H new ATOM 0 HD21 ASN A 94 10.735 8.714 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.994 7.920 4.343 1.00 0.00 H new ATOM 898 N ILE A 95 10.743 10.338 -0.442 1.00 0.00 N ATOM 899 CA ILE A 95 10.228 10.448 -1.829 1.00 0.00 C ATOM 900 C ILE A 95 11.175 9.771 -2.843 1.00 0.00 C ATOM 901 O ILE A 95 10.777 8.816 -3.511 1.00 0.00 O ATOM 902 CB ILE A 95 9.967 11.949 -2.123 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.879 12.491 -1.172 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.592 12.193 -3.591 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.728 14.015 -1.165 1.00 0.00 C ATOM 0 H ILE A 95 10.854 11.243 0.015 1.00 0.00 H new ATOM 0 HA ILE A 95 9.287 9.908 -1.934 1.00 0.00 H new ATOM 0 HB ILE A 95 10.895 12.492 -1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.922 12.047 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.104 12.158 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.418 13.257 -3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.405 11.858 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.686 11.638 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.940 14.299 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.668 14.472 -0.857 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.468 14.359 -2.166 1.00 0.00 H new ATOM 907 N ILE A 96 12.442 10.183 -2.828 1.00 0.00 N ATOM 908 CA ILE A 96 13.503 9.659 -3.710 1.00 0.00 C ATOM 909 C ILE A 96 13.664 8.134 -3.538 1.00 0.00 C ATOM 910 O ILE A 96 13.393 7.382 -4.479 1.00 0.00 O ATOM 911 CB ILE A 96 14.811 10.450 -3.458 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.683 11.927 -3.872 1.00 0.00 C ATOM 913 CG2 ILE A 96 16.090 9.809 -4.042 1.00 0.00 C ATOM 914 CD1 ILE A 96 14.317 12.188 -5.347 1.00 0.00 C ATOM 0 H ILE A 96 12.775 10.907 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 96 13.228 9.806 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 96 14.944 10.404 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.926 12.396 -3.243 1.00 0.00 H new ATOM 0 HG13 ILE A 96 15.628 12.426 -3.659 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.950 10.438 -3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.235 8.822 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.988 9.714 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.255 13.262 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.083 11.759 -5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 96 13.354 11.728 -5.570 1.00 0.00 H new ATOM 916 N ALA A 97 13.880 7.721 -2.293 1.00 0.00 N ATOM 917 CA ALA A 97 14.067 6.297 -1.909 1.00 0.00 C ATOM 918 C ALA A 97 12.926 5.394 -2.420 1.00 0.00 C ATOM 919 O ALA A 97 13.172 4.395 -3.088 1.00 0.00 O ATOM 920 CB ALA A 97 14.186 6.216 -0.396 1.00 0.00 C ATOM 0 H ALA A 97 13.933 8.362 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 97 14.979 5.928 -2.379 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.324 5.177 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 97 15.042 6.805 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.278 6.608 0.062 1.00 0.00 H new ATOM 922 N ALA A 98 11.699 5.875 -2.237 1.00 0.00 N ATOM 923 CA ALA A 98 10.473 5.178 -2.650 1.00 0.00 C ATOM 924 C ALA A 98 10.355 5.023 -4.180 1.00 0.00 C ATOM 925 O ALA A 98 10.248 3.905 -4.680 1.00 0.00 O ATOM 926 CB ALA A 98 9.279 5.932 -2.067 1.00 0.00 C ATOM 0 H ALA A 98 11.520 6.775 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 98 10.501 4.159 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.355 5.433 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.354 5.947 -0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.275 6.954 -2.445 1.00 0.00 H new ATOM 928 N ALA A 99 10.478 6.147 -4.896 1.00 0.00 N ATOM 929 CA ALA A 99 10.402 6.185 -6.373 1.00 0.00 C ATOM 930 C ALA A 99 11.454 5.282 -7.053 1.00 0.00 C ATOM 931 O ALA A 99 11.079 4.377 -7.802 1.00 0.00 O ATOM 932 CB ALA A 99 10.542 7.629 -6.852 1.00 0.00 C ATOM 0 H ALA A 99 10.634 7.062 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 99 9.428 5.790 -6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.486 7.658 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.737 8.232 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.503 8.029 -6.527 1.00 0.00 H new ATOM 934 N GLN A 100 12.691 5.379 -6.570 1.00 0.00 N ATOM 935 CA GLN A 100 13.849 4.595 -7.068 1.00 0.00 C ATOM 936 C GLN A 100 13.641 3.066 -6.987 1.00 0.00 C ATOM 937 O GLN A 100 14.075 2.333 -7.878 1.00 0.00 O ATOM 938 CB GLN A 100 15.109 4.943 -6.275 1.00 0.00 C ATOM 939 CG GLN A 100 15.614 6.357 -6.552 1.00 0.00 C ATOM 940 CD GLN A 100 16.886 6.681 -5.746 1.00 0.00 C ATOM 941 OE1 GLN A 100 17.000 6.458 -4.545 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.833 7.312 -6.394 1.00 0.00 N ATOM 0 H GLN A 100 12.934 6.012 -5.808 1.00 0.00 H new ATOM 0 HA GLN A 100 13.954 4.866 -8.119 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.902 4.839 -5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.895 4.228 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.821 6.466 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.834 7.076 -6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.733 7.495 -7.393 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.670 7.621 -5.900 1.00 0.00 H new ATOM 946 N ALA A 101 13.021 2.638 -5.885 1.00 0.00 N ATOM 947 CA ALA A 101 12.741 1.222 -5.596 1.00 0.00 C ATOM 948 C ALA A 101 11.533 0.606 -6.334 1.00 0.00 C ATOM 949 O ALA A 101 11.529 -0.602 -6.579 1.00 0.00 O ATOM 950 CB ALA A 101 12.599 1.072 -4.081 1.00 0.00 C ATOM 0 H ALA A 101 12.693 3.271 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 101 13.584 0.650 -5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.391 0.030 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.525 1.380 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.780 1.698 -3.729 1.00 0.00 H new ATOM 952 N GLY A 102 10.553 1.437 -6.699 1.00 0.00 N ATOM 953 CA GLY A 102 9.328 0.979 -7.398 1.00 0.00 C ATOM 954 C GLY A 102 7.981 1.432 -6.801 1.00 0.00 C ATOM 955 O GLY A 102 6.950 0.869 -7.170 1.00 0.00 O ATOM 0 H GLY A 102 10.576 2.442 -6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.376 1.324 -8.431 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.339 -0.111 -7.426 1.00 0.00 H new ATOM 957 N ALA A 103 7.977 2.409 -5.892 1.00 0.00 N ATOM 958 CA ALA A 103 6.723 2.915 -5.287 1.00 0.00 C ATOM 959 C ALA A 103 5.794 3.565 -6.327 1.00 0.00 C ATOM 960 O ALA A 103 6.135 4.547 -6.972 1.00 0.00 O ATOM 961 CB ALA A 103 6.993 3.931 -4.179 1.00 0.00 C ATOM 0 H ALA A 103 8.821 2.871 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 103 6.230 2.039 -4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.046 4.276 -3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.586 3.463 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.540 4.780 -4.589 1.00 0.00 H new ATOM 963 N SER A 104 4.603 2.986 -6.391 1.00 0.00 N ATOM 964 CA SER A 104 3.522 3.432 -7.304 1.00 0.00 C ATOM 965 C SER A 104 2.973 4.823 -6.932 1.00 0.00 C ATOM 966 O SER A 104 2.283 5.446 -7.744 1.00 0.00 O ATOM 967 CB SER A 104 2.354 2.436 -7.243 1.00 0.00 C ATOM 968 OG SER A 104 2.804 1.087 -7.356 1.00 0.00 O ATOM 0 H SER A 104 4.343 2.187 -5.813 1.00 0.00 H new ATOM 0 HA SER A 104 3.954 3.484 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.816 2.563 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.649 2.653 -8.045 1.00 0.00 H new ATOM 0 HG SER A 104 2.524 0.720 -8.221 1.00 0.00 H new ATOM 971 N GLY A 105 3.103 5.174 -5.662 1.00 0.00 N ATOM 972 CA GLY A 105 2.671 6.463 -5.073 1.00 0.00 C ATOM 973 C GLY A 105 2.883 6.433 -3.552 1.00 0.00 C ATOM 974 O GLY A 105 3.238 5.408 -2.987 1.00 0.00 O ATOM 0 H GLY A 105 3.528 4.554 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.238 7.283 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.620 6.644 -5.300 1.00 0.00 H new ATOM 976 N TYR A 106 2.664 7.591 -2.931 1.00 0.00 N ATOM 977 CA TYR A 106 2.822 7.720 -1.470 1.00 0.00 C ATOM 978 C TYR A 106 1.784 8.656 -0.834 1.00 0.00 C ATOM 979 O TYR A 106 1.606 9.788 -1.274 1.00 0.00 O ATOM 980 CB TYR A 106 4.262 8.099 -1.067 1.00 0.00 C ATOM 981 CG TYR A 106 4.738 9.490 -1.489 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.495 10.580 -0.631 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.382 9.649 -2.741 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.877 11.869 -1.039 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.772 10.937 -3.143 1.00 0.00 C ATOM 986 CZ TYR A 106 5.514 12.029 -2.297 1.00 0.00 C ATOM 987 OH TYR A 106 5.827 13.280 -2.708 1.00 0.00 O ATOM 0 H TYR A 106 2.380 8.449 -3.404 1.00 0.00 H new ATOM 0 HA TYR A 106 2.628 6.728 -1.063 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.346 8.023 0.017 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.942 7.361 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.021 10.427 0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.570 8.795 -3.375 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.689 12.724 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.265 11.087 -4.092 1.00 0.00 H new ATOM 0 HH TYR A 106 6.259 13.237 -3.586 1.00 0.00 H new ATOM 990 N VAL A 107 1.156 8.171 0.235 1.00 0.00 N ATOM 991 CA VAL A 107 0.131 8.974 0.939 1.00 0.00 C ATOM 992 C VAL A 107 0.584 9.374 2.349 1.00 0.00 C ATOM 993 O VAL A 107 1.150 8.585 3.104 1.00 0.00 O ATOM 994 CB VAL A 107 -1.279 8.350 0.847 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.570 7.257 1.885 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.333 9.455 0.980 1.00 0.00 C ATOM 0 H VAL A 107 1.326 7.248 0.634 1.00 0.00 H new ATOM 0 HA VAL A 107 0.028 9.921 0.409 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.321 7.861 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.582 6.879 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.858 6.441 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.477 7.674 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.329 9.017 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.218 9.954 1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.203 10.181 0.177 1.00 0.00 H new ATOM 998 N VAL A 108 0.553 10.687 2.517 1.00 0.00 N ATOM 999 CA VAL A 108 0.924 11.337 3.792 1.00 0.00 C ATOM 1000 C VAL A 108 -0.189 11.076 4.831 1.00 0.00 C ATOM 1001 O VAL A 108 -1.368 11.229 4.553 1.00 0.00 O ATOM 1002 CB VAL A 108 1.144 12.855 3.614 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.835 13.444 4.852 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.014 13.175 2.391 1.00 0.00 C ATOM 0 H VAL A 108 0.273 11.341 1.786 1.00 0.00 H new ATOM 0 HA VAL A 108 1.866 10.912 4.139 1.00 0.00 H new ATOM 0 HB VAL A 108 0.157 13.296 3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.983 14.515 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.212 13.276 5.731 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.801 12.960 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.141 14.254 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.990 12.703 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.530 12.795 1.491 1.00 0.00 H new ATOM 1006 N LYS A 109 0.245 10.584 5.984 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.666 10.302 7.105 1.00 0.00 C ATOM 1008 C LYS A 109 -0.630 11.427 8.156 1.00 0.00 C ATOM 1009 O LYS A 109 0.466 11.874 8.502 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.424 8.911 7.717 1.00 0.00 C ATOM 1011 CG LYS A 109 1.023 8.630 8.134 1.00 0.00 C ATOM 1012 CD LYS A 109 1.092 7.283 8.839 1.00 0.00 C ATOM 1013 CE LYS A 109 2.536 6.889 9.126 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.517 5.666 9.933 1.00 0.00 N ATOM 0 H LYS A 109 1.223 10.369 6.176 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.678 10.279 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.066 8.798 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.732 8.154 6.995 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.672 8.628 7.258 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.382 9.418 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.531 7.328 9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.619 6.520 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.079 6.724 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.051 7.689 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.913 5.865 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.537 5.331 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.087 4.933 9.465 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.800 11.877 8.647 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.152 11.388 8.288 1.00 0.00 C ATOM 1021 C PRO A 110 -3.674 11.857 6.919 1.00 0.00 C ATOM 1022 O PRO A 110 -3.463 12.981 6.479 1.00 0.00 O ATOM 1023 CB PRO A 110 -4.045 11.883 9.422 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.379 13.182 9.864 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.884 12.881 9.724 1.00 0.00 C ATOM 0 HA PRO A 110 -3.138 10.303 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.067 12.052 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.095 11.161 10.237 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.680 14.021 9.237 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.643 13.440 10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.322 13.780 9.471 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.469 12.497 10.656 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.401 10.927 6.309 1.00 0.00 N ATOM 1027 CA PHE A 111 -5.062 11.072 4.996 1.00 0.00 C ATOM 1028 C PHE A 111 -6.537 10.629 5.165 1.00 0.00 C ATOM 1029 O PHE A 111 -6.835 9.768 6.004 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.349 10.267 3.907 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.245 8.762 4.168 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.275 8.276 5.080 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.109 7.882 3.482 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.217 6.892 5.345 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.012 6.500 3.715 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.082 6.012 4.659 1.00 0.00 C ATOM 0 H PHE A 111 -4.559 10.009 6.725 1.00 0.00 H new ATOM 0 HA PHE A 111 -5.018 12.111 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.873 10.420 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.343 10.668 3.782 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.590 8.956 5.565 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.838 8.267 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.514 6.507 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.646 5.813 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.032 4.952 4.859 1.00 0.00 H new ATOM 1038 N THR A 112 -7.419 11.209 4.355 1.00 0.00 N ATOM 1039 CA THR A 112 -8.866 10.875 4.416 1.00 0.00 C ATOM 1040 C THR A 112 -9.244 9.932 3.264 1.00 0.00 C ATOM 1041 O THR A 112 -8.447 9.698 2.350 1.00 0.00 O ATOM 1042 CB THR A 112 -9.742 12.157 4.448 1.00 0.00 C ATOM 1043 OG1 THR A 112 -11.093 11.784 4.734 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.698 12.996 3.164 1.00 0.00 C ATOM 0 H THR A 112 -7.175 11.906 3.652 1.00 0.00 H new ATOM 0 HA THR A 112 -9.064 10.347 5.349 1.00 0.00 H new ATOM 0 HB THR A 112 -9.325 12.796 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.656 12.586 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.339 13.870 3.278 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.674 13.319 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.049 12.396 2.325 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.473 9.423 3.293 1.00 0.00 N ATOM 1048 CA ALA A 113 -11.017 8.518 2.256 1.00 0.00 C ATOM 1049 C ALA A 113 -10.831 9.097 0.840 1.00 0.00 C ATOM 1050 O ALA A 113 -10.257 8.444 -0.031 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.496 8.236 2.542 1.00 0.00 C ATOM 0 H ALA A 113 -11.136 9.623 4.042 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.461 7.581 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.894 7.569 1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.594 7.765 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.053 9.173 2.533 1.00 0.00 H new ATOM 1053 N ALA A 114 -11.120 10.394 0.714 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.971 11.157 -0.539 1.00 0.00 C ATOM 1055 C ALA A 114 -9.514 11.211 -1.022 1.00 0.00 C ATOM 1056 O ALA A 114 -9.244 10.827 -2.167 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.524 12.574 -0.334 1.00 0.00 C ATOM 0 H ALA A 114 -11.470 10.958 1.489 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.537 10.644 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.417 13.144 -1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.578 12.517 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.970 13.069 0.464 1.00 0.00 H new ATOM 1059 N THR A 115 -8.578 11.512 -0.112 1.00 0.00 N ATOM 1060 CA THR A 115 -7.125 11.581 -0.395 1.00 0.00 C ATOM 1061 C THR A 115 -6.649 10.220 -0.927 1.00 0.00 C ATOM 1062 O THR A 115 -6.064 10.132 -2.012 1.00 0.00 O ATOM 1063 CB THR A 115 -6.293 11.878 0.865 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.989 12.716 1.796 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.968 12.541 0.494 1.00 0.00 C ATOM 0 H THR A 115 -8.806 11.719 0.860 1.00 0.00 H new ATOM 0 HA THR A 115 -6.983 12.385 -1.117 1.00 0.00 H new ATOM 0 HB THR A 115 -6.108 10.917 1.345 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.342 13.158 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.396 12.742 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.398 11.877 -0.155 1.00 0.00 H new ATOM 0 HG23 THR A 115 -5.163 13.478 -0.027 1.00 0.00 H new ATOM 1068 N LEU A 116 -7.048 9.167 -0.209 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.752 7.762 -0.528 1.00 0.00 C ATOM 1070 C LEU A 116 -7.276 7.410 -1.937 1.00 0.00 C ATOM 1071 O LEU A 116 -6.465 7.093 -2.806 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.374 6.885 0.562 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.108 5.377 0.418 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.622 5.020 0.389 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.780 4.682 1.592 1.00 0.00 C ATOM 0 H LEU A 116 -7.605 9.269 0.639 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.676 7.587 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.997 7.214 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.452 7.049 0.568 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.512 5.049 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.509 3.941 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.145 5.517 -0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.151 5.347 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.612 3.607 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.359 5.056 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.851 4.884 1.570 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.544 7.710 -2.203 1.00 0.00 N ATOM 1078 CA GLU A 117 -9.192 7.462 -3.519 1.00 0.00 C ATOM 1079 C GLU A 117 -8.411 8.134 -4.672 1.00 0.00 C ATOM 1080 O GLU A 117 -8.022 7.459 -5.623 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.650 7.933 -3.501 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.463 7.442 -4.712 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.670 5.925 -4.741 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -12.174 5.395 -3.739 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.364 5.332 -5.798 1.00 0.00 O ATOM 0 H GLU A 117 -9.168 8.135 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.179 6.387 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.127 7.582 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.672 9.022 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.436 7.932 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.956 7.748 -5.627 1.00 0.00 H new ATOM 1087 N GLU A 118 -8.055 9.403 -4.478 1.00 0.00 N ATOM 1088 CA GLU A 118 -7.273 10.194 -5.464 1.00 0.00 C ATOM 1089 C GLU A 118 -5.957 9.497 -5.849 1.00 0.00 C ATOM 1090 O GLU A 118 -5.702 9.283 -7.035 1.00 0.00 O ATOM 1091 CB GLU A 118 -7.002 11.597 -4.914 1.00 0.00 C ATOM 1092 CG GLU A 118 -8.291 12.420 -4.823 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.059 13.745 -4.082 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -8.083 13.709 -2.832 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -7.928 14.763 -4.782 1.00 0.00 O ATOM 0 H GLU A 118 -8.295 9.925 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.869 10.275 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.547 11.521 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -6.286 12.109 -5.557 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.666 12.623 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.058 11.842 -4.307 1.00 0.00 H new ATOM 1097 N LYS A 119 -5.242 9.019 -4.831 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.975 8.268 -5.007 1.00 0.00 C ATOM 1099 C LYS A 119 -4.182 6.943 -5.746 1.00 0.00 C ATOM 1100 O LYS A 119 -3.574 6.747 -6.804 1.00 0.00 O ATOM 1101 CB LYS A 119 -3.287 8.005 -3.656 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.859 9.278 -2.912 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.798 10.126 -3.621 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.434 9.431 -3.746 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.531 10.386 -4.316 1.00 0.00 N ATOM 0 H LYS A 119 -5.516 9.136 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.330 8.899 -5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.965 7.436 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.408 7.382 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.742 9.895 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.478 8.995 -1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.157 10.383 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.670 11.062 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.094 9.088 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.515 8.550 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.460 9.928 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.203 10.692 -5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.612 11.213 -3.690 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.176 6.159 -5.314 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.534 4.852 -5.912 1.00 0.00 C ATOM 1112 C LEU A 120 -5.763 4.985 -7.438 1.00 0.00 C ATOM 1113 O LEU A 120 -5.081 4.346 -8.231 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.797 4.262 -5.267 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.731 4.067 -3.746 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.124 3.739 -3.207 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.733 2.993 -3.309 1.00 0.00 C ATOM 0 H LEU A 120 -5.770 6.413 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.696 4.180 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.640 4.914 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.005 3.298 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.372 5.007 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -8.073 3.601 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.805 4.558 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.488 2.823 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.740 2.910 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.014 2.035 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.733 3.267 -3.645 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.563 5.998 -7.779 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.918 6.375 -9.164 1.00 0.00 C ATOM 1121 C ASN A 121 -5.676 6.651 -10.039 1.00 0.00 C ATOM 1122 O ASN A 121 -5.421 5.939 -11.010 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.802 7.627 -9.129 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.196 7.440 -8.513 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.614 6.393 -8.058 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.940 8.531 -8.459 1.00 0.00 N ATOM 0 H ASN A 121 -6.999 6.602 -7.083 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.449 5.534 -9.610 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.279 8.403 -8.570 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.922 7.994 -10.148 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.867 8.496 -8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.587 9.408 -8.841 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.883 7.614 -9.582 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.626 8.060 -10.234 1.00 0.00 C ATOM 1132 C LYS A 122 -2.682 6.888 -10.548 1.00 0.00 C ATOM 1133 O LYS A 122 -2.212 6.742 -11.682 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.958 9.052 -9.266 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.710 9.727 -9.843 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.905 10.455 -8.763 1.00 0.00 C ATOM 1137 CE LYS A 122 0.127 9.581 -8.040 1.00 0.00 C ATOM 1138 NZ LYS A 122 -0.495 8.535 -7.208 1.00 0.00 N ATOM 0 H LYS A 122 -5.089 8.129 -8.726 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.850 8.525 -11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.681 9.820 -8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.686 8.526 -8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -1.080 8.977 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -2.005 10.436 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.390 11.300 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.596 10.863 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.780 9.113 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.756 10.213 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.231 8.086 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.223 8.962 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.932 7.818 -7.821 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.543 5.988 -9.582 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.705 4.775 -9.664 1.00 0.00 C ATOM 1145 C ILE A 123 -2.096 3.871 -10.856 1.00 0.00 C ATOM 1146 O ILE A 123 -1.265 3.605 -11.722 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.721 4.081 -8.288 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -0.938 4.990 -7.320 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.102 2.680 -8.316 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.114 4.691 -5.827 1.00 0.00 C ATOM 0 H ILE A 123 -3.022 6.076 -8.686 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.671 5.041 -9.885 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.754 3.940 -7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.122 4.917 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.236 6.023 -7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.143 2.244 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.658 2.050 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.063 2.747 -8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.518 5.392 -5.243 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.165 4.795 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.785 3.673 -5.619 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.383 3.549 -10.940 1.00 0.00 N ATOM 1153 CA PHE A 124 -3.941 2.682 -12.016 1.00 0.00 C ATOM 1154 C PHE A 124 -3.641 3.232 -13.418 1.00 0.00 C ATOM 1155 O PHE A 124 -3.165 2.501 -14.281 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.469 2.535 -11.897 1.00 0.00 C ATOM 1157 CG PHE A 124 -5.962 1.932 -10.572 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.186 0.988 -9.869 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.128 2.486 -10.001 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.538 0.633 -8.554 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.485 2.136 -8.679 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.669 1.236 -7.968 1.00 0.00 C ATOM 0 H PHE A 124 -4.083 3.873 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 124 -3.457 1.714 -11.886 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -5.924 3.517 -12.024 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -5.824 1.911 -12.717 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.324 0.539 -10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -7.741 3.170 -10.569 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -4.952 -0.088 -8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.370 2.553 -8.221 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.917 1.001 -6.944 1.00 0.00 H new