USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 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: B 487 THR OG1 : rot 180:sc= 0.0191 USER MOD Set 1.2: B 488 ASN : amide:sc= -2.23! K(o=-2.2!,f=0.37) USER MOD Set 2.1: B 476 TYR OH : rot 180:sc= 0.818 USER MOD Set 2.2: B 480 LYS NZ :NH3+ 170:sc= 1.17 (180deg=-0.312) USER MOD Set 3.1: B 468 ASN : amide:sc= 0.3 K(o=0.35,f=-0.71) USER MOD Set 3.2: B 472 GLN : amide:sc= 0.0522 K(o=0.35,f=-0.28) USER MOD Set 4.1: A 143 CYS SG : rot -1:sc= 0.196 USER MOD Set 4.2: B 473 CYS SG : rot 74:sc= 0.801 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 MET CE :methyl 160:sc= -0.126 (180deg=-0.686) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 91 ASN : amide:sc= 0.842 K(o=0.84,f=-1.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.83) USER MOD Single : A 98 SER OG : rot -140:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 84:sc= 1.27 USER MOD Single : A 107 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.0147 K(o=-0.015,f=-5.5!) USER MOD Single : A 112 GLN : amide:sc= -3.34! K(o=-3.3!,f=-0.31) USER MOD Single : A 114 MET CE :methyl 149:sc= -1.05 (180deg=-1.4) USER MOD Single : A 116 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.3!) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 123 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0192) USER MOD Single : A 125 LYS NZ :NH3+ -164:sc= -0.0243 (180deg=-0.283) USER MOD Single : A 127 MET CE :methyl 164:sc= -0.913 (180deg=-1.5) USER MOD Single : A 130 TYR OH : rot 150:sc= -0.508 USER MOD Single : A 131 MET CE :methyl 165:sc= -1.29 (180deg=-2.38!) USER MOD Single : A 132 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.6!) USER MOD Single : A 142 CYS SG : rot 87:sc= -0.687 USER MOD Single : A 150 SER OG : rot 128:sc= 1.25 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 SER OG : rot 78:sc= 0.849 USER MOD Single : B 465 HIS : no HD1:sc= -0.511 K(o=1.7,f=-13!) USER MOD Single : B 479 LYS NZ :NH3+ 165:sc= 2.21 (180deg=1.78) USER MOD Single : B 489 SER OG : rot 180:sc= 0 USER MOD Single : B 491 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 492 SER OG : rot 180:sc= 0 USER MOD Single : B 493 LYS NZ :NH3+ 169:sc= -0.0178 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 81 0.259 -19.710 5.160 1.00 0.00 N ATOM 2 CA GLY A 81 0.981 -18.421 5.295 1.00 0.00 C ATOM 3 C GLY A 81 0.398 -17.348 4.402 1.00 0.00 C ATOM 4 O GLY A 81 -0.586 -17.598 3.704 1.00 0.00 O ATOM 0 HA2 GLY A 81 0.941 -18.090 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.032 -18.567 5.047 1.00 0.00 H new ATOM 10 N PRO A 82 0.987 -16.138 4.403 1.00 0.00 N ATOM 11 CA PRO A 82 0.513 -15.009 3.596 1.00 0.00 C ATOM 12 C PRO A 82 0.822 -15.180 2.109 1.00 0.00 C ATOM 13 O PRO A 82 1.595 -14.419 1.527 1.00 0.00 O ATOM 14 CB PRO A 82 1.278 -13.799 4.160 1.00 0.00 C ATOM 15 CG PRO A 82 1.968 -14.290 5.391 1.00 0.00 C ATOM 16 CD PRO A 82 2.160 -15.765 5.200 1.00 0.00 C ATOM 0 HA PRO A 82 -0.571 -14.908 3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 82 1.997 -13.418 3.434 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.597 -12.980 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.925 -13.787 5.528 1.00 0.00 H new ATOM 0 HG3 PRO A 82 1.371 -14.087 6.280 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.092 -15.989 4.680 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.190 -16.297 6.151 1.00 0.00 H new ATOM 24 N HIS A 83 0.210 -16.182 1.501 1.00 0.00 N ATOM 25 CA HIS A 83 0.407 -16.451 0.087 1.00 0.00 C ATOM 26 C HIS A 83 -0.618 -15.678 -0.733 1.00 0.00 C ATOM 27 O HIS A 83 -0.263 -14.889 -1.608 1.00 0.00 O ATOM 28 CB HIS A 83 0.298 -17.955 -0.188 1.00 0.00 C ATOM 29 CG HIS A 83 0.603 -18.344 -1.602 1.00 0.00 C ATOM 30 ND1 HIS A 83 -0.366 -18.858 -2.428 1.00 0.00 N ATOM 31 CD2 HIS A 83 1.775 -18.286 -2.278 1.00 0.00 C ATOM 32 CE1 HIS A 83 0.233 -19.099 -3.582 1.00 0.00 C ATOM 33 NE2 HIS A 83 1.530 -18.769 -3.538 1.00 0.00 N ATOM 0 H HIS A 83 -0.430 -16.825 1.967 1.00 0.00 H new ATOM 0 HA HIS A 83 1.405 -16.123 -0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.979 -18.485 0.478 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.711 -18.286 0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.721 -17.928 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.261 -19.510 -4.450 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.206 -18.860 -4.296 1.00 0.00 H new ATOM 41 N MET A 84 -1.894 -15.876 -0.420 1.00 0.00 N ATOM 42 CA MET A 84 -2.959 -15.170 -1.120 1.00 0.00 C ATOM 43 C MET A 84 -3.255 -13.842 -0.432 1.00 0.00 C ATOM 44 O MET A 84 -4.231 -13.163 -0.749 1.00 0.00 O ATOM 45 CB MET A 84 -4.226 -16.027 -1.217 1.00 0.00 C ATOM 46 CG MET A 84 -4.823 -16.411 0.126 1.00 0.00 C ATOM 47 SD MET A 84 -6.335 -17.379 -0.037 1.00 0.00 S ATOM 48 CE MET A 84 -5.733 -18.812 -0.929 1.00 0.00 C ATOM 0 H MET A 84 -2.214 -16.515 0.308 1.00 0.00 H new ATOM 0 HA MET A 84 -2.620 -14.968 -2.136 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.975 -15.484 -1.793 1.00 0.00 H new ATOM 0 HB3 MET A 84 -3.995 -16.936 -1.772 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.090 -16.983 0.695 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.035 -15.507 0.697 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.430 -19.640 -0.800 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.647 -18.571 -1.989 1.00 0.00 H new ATOM 0 HE3 MET A 84 -4.755 -19.097 -0.542 1.00 0.00 H new ATOM 58 N ASP A 85 -2.403 -13.485 0.525 1.00 0.00 N ATOM 59 CA ASP A 85 -2.446 -12.164 1.142 1.00 0.00 C ATOM 60 C ASP A 85 -1.787 -11.149 0.223 1.00 0.00 C ATOM 61 O ASP A 85 -1.909 -9.938 0.416 1.00 0.00 O ATOM 62 CB ASP A 85 -1.741 -12.159 2.502 1.00 0.00 C ATOM 63 CG ASP A 85 -2.575 -12.776 3.603 1.00 0.00 C ATOM 64 OD1 ASP A 85 -2.308 -13.930 3.987 1.00 0.00 O ATOM 65 OD2 ASP A 85 -3.501 -12.104 4.101 1.00 0.00 O ATOM 0 H ASP A 85 -1.672 -14.095 0.891 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.491 -11.899 1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.800 -12.702 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.494 -11.133 2.773 1.00 0.00 H new ATOM 70 N ARG A 86 -1.077 -11.660 -0.773 1.00 0.00 N ATOM 71 CA ARG A 86 -0.436 -10.826 -1.772 1.00 0.00 C ATOM 72 C ARG A 86 -1.383 -10.603 -2.941 1.00 0.00 C ATOM 73 O ARG A 86 -1.985 -11.545 -3.457 1.00 0.00 O ATOM 74 CB ARG A 86 0.861 -11.472 -2.251 1.00 0.00 C ATOM 75 CG ARG A 86 1.893 -11.633 -1.148 1.00 0.00 C ATOM 76 CD ARG A 86 3.104 -12.409 -1.630 1.00 0.00 C ATOM 77 NE ARG A 86 4.131 -12.517 -0.596 1.00 0.00 N ATOM 78 CZ ARG A 86 4.885 -13.598 -0.399 1.00 0.00 C ATOM 79 NH1 ARG A 86 4.718 -14.681 -1.154 1.00 0.00 N ATOM 80 NH2 ARG A 86 5.803 -13.595 0.560 1.00 0.00 N ATOM 0 H ARG A 86 -0.931 -12.660 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.193 -9.862 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.637 -12.451 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.286 -10.867 -3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.206 -10.651 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.443 -12.148 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.795 -13.407 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.524 -11.918 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 86 4.280 -11.713 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.010 -14.687 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.298 -15.505 -0.999 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.929 -12.767 1.143 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.382 -14.420 0.714 1.00 0.00 H new ATOM 94 N VAL A 87 -1.500 -9.356 -3.356 1.00 0.00 N ATOM 95 CA VAL A 87 -2.474 -8.965 -4.361 1.00 0.00 C ATOM 96 C VAL A 87 -1.893 -9.092 -5.767 1.00 0.00 C ATOM 97 O VAL A 87 -0.707 -8.834 -5.986 1.00 0.00 O ATOM 98 CB VAL A 87 -2.934 -7.511 -4.130 1.00 0.00 C ATOM 99 CG1 VAL A 87 -4.049 -7.133 -5.090 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.377 -7.309 -2.689 1.00 0.00 C ATOM 0 H VAL A 87 -0.926 -8.588 -3.009 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.329 -9.635 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.085 -6.856 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.354 -6.103 -4.905 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.693 -7.228 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.900 -7.797 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.697 -6.277 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.206 -7.980 -2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.545 -7.525 -2.019 1.00 0.00 H new ATOM 110 N SER A 88 -2.731 -9.500 -6.708 1.00 0.00 N ATOM 111 CA SER A 88 -2.331 -9.593 -8.103 1.00 0.00 C ATOM 112 C SER A 88 -2.276 -8.198 -8.723 1.00 0.00 C ATOM 113 O SER A 88 -3.097 -7.331 -8.413 1.00 0.00 O ATOM 114 CB SER A 88 -3.319 -10.477 -8.862 1.00 0.00 C ATOM 115 OG SER A 88 -3.418 -11.757 -8.259 1.00 0.00 O ATOM 0 H SER A 88 -3.697 -9.773 -6.529 1.00 0.00 H new ATOM 0 HA SER A 88 -1.339 -10.039 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.300 -10.002 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.998 -10.582 -9.898 1.00 0.00 H new ATOM 0 HG SER A 88 -4.057 -12.306 -8.760 1.00 0.00 H new ATOM 121 N LEU A 89 -1.288 -8.004 -9.600 1.00 0.00 N ATOM 122 CA LEU A 89 -0.985 -6.699 -10.182 1.00 0.00 C ATOM 123 C LEU A 89 -2.181 -6.058 -10.866 1.00 0.00 C ATOM 124 O LEU A 89 -2.287 -4.838 -10.894 1.00 0.00 O ATOM 125 CB LEU A 89 0.169 -6.805 -11.163 1.00 0.00 C ATOM 126 CG LEU A 89 1.509 -6.336 -10.605 1.00 0.00 C ATOM 127 CD1 LEU A 89 2.591 -6.532 -11.634 1.00 0.00 C ATOM 128 CD2 LEU A 89 1.438 -4.871 -10.192 1.00 0.00 C ATOM 0 H LEU A 89 -0.675 -8.751 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.705 -6.053 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.265 -7.842 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.068 -6.218 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 89 1.743 -6.931 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.545 -6.195 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.660 -7.589 -11.893 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.352 -5.955 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.404 -4.557 -9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.185 -4.260 -11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.674 -4.746 -9.425 1.00 0.00 H new ATOM 140 N GLN A 90 -3.063 -6.876 -11.426 1.00 0.00 N ATOM 141 CA GLN A 90 -4.295 -6.379 -12.035 1.00 0.00 C ATOM 142 C GLN A 90 -5.066 -5.507 -11.059 1.00 0.00 C ATOM 143 O GLN A 90 -5.431 -4.375 -11.374 1.00 0.00 O ATOM 144 CB GLN A 90 -5.177 -7.542 -12.479 1.00 0.00 C ATOM 145 CG GLN A 90 -4.638 -8.270 -13.688 1.00 0.00 C ATOM 146 CD GLN A 90 -5.419 -9.524 -14.016 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.622 -9.606 -13.774 1.00 0.00 O ATOM 148 NE2 GLN A 90 -4.737 -10.515 -14.561 1.00 0.00 N ATOM 0 H GLN A 90 -2.950 -7.889 -11.472 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.020 -5.781 -12.904 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.280 -8.247 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.175 -7.167 -12.704 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.658 -7.600 -14.548 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.595 -8.533 -13.512 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.740 -10.407 -14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.208 -11.389 -14.797 1.00 0.00 H new ATOM 157 N ASN A 91 -5.276 -6.040 -9.867 1.00 0.00 N ATOM 158 CA ASN A 91 -6.025 -5.355 -8.825 1.00 0.00 C ATOM 159 C ASN A 91 -5.311 -4.084 -8.397 1.00 0.00 C ATOM 160 O ASN A 91 -5.942 -3.070 -8.105 1.00 0.00 O ATOM 161 CB ASN A 91 -6.204 -6.279 -7.620 1.00 0.00 C ATOM 162 CG ASN A 91 -7.138 -7.442 -7.895 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.317 -7.856 -9.040 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.715 -7.998 -6.843 1.00 0.00 N ATOM 0 H ASN A 91 -4.932 -6.960 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.003 -5.086 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.231 -6.666 -7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.591 -5.701 -6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.334 -8.800 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.541 -7.625 -5.910 1.00 0.00 H new ATOM 171 N LEU A 92 -3.988 -4.144 -8.386 1.00 0.00 N ATOM 172 CA LEU A 92 -3.172 -3.011 -7.974 1.00 0.00 C ATOM 173 C LEU A 92 -3.195 -1.922 -9.041 1.00 0.00 C ATOM 174 O LEU A 92 -3.271 -0.739 -8.733 1.00 0.00 O ATOM 175 CB LEU A 92 -1.735 -3.467 -7.699 1.00 0.00 C ATOM 176 CG LEU A 92 -1.594 -4.547 -6.624 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.145 -4.992 -6.501 1.00 0.00 C ATOM 178 CD2 LEU A 92 -2.110 -4.034 -5.288 1.00 0.00 C ATOM 0 H LEU A 92 -3.454 -4.969 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.586 -2.597 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.305 -3.842 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.145 -2.600 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.193 -5.409 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.064 -5.760 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.194 -5.397 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.476 -4.139 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.003 -4.813 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.536 -3.157 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.162 -3.763 -5.384 1.00 0.00 H new ATOM 190 N LYS A 93 -3.158 -2.330 -10.299 1.00 0.00 N ATOM 191 CA LYS A 93 -3.195 -1.388 -11.412 1.00 0.00 C ATOM 192 C LYS A 93 -4.543 -0.681 -11.484 1.00 0.00 C ATOM 193 O LYS A 93 -4.641 0.448 -11.968 1.00 0.00 O ATOM 194 CB LYS A 93 -2.899 -2.112 -12.723 1.00 0.00 C ATOM 195 CG LYS A 93 -1.463 -2.595 -12.829 1.00 0.00 C ATOM 196 CD LYS A 93 -1.251 -3.453 -14.061 1.00 0.00 C ATOM 197 CE LYS A 93 0.201 -3.875 -14.202 1.00 0.00 C ATOM 198 NZ LYS A 93 0.406 -4.781 -15.362 1.00 0.00 N ATOM 0 H LYS A 93 -3.102 -3.309 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.428 -0.631 -11.247 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.570 -2.965 -12.819 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.113 -1.443 -13.556 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.792 -1.737 -12.863 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.204 -3.167 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.884 -4.338 -14.003 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.558 -2.900 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.826 -2.990 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.524 -4.376 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.410 -5.045 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.171 -5.638 -15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.123 -4.295 -16.237 1.00 0.00 H new ATOM 212 N ASN A 94 -5.572 -1.342 -10.975 1.00 0.00 N ATOM 213 CA ASN A 94 -6.917 -0.781 -10.955 1.00 0.00 C ATOM 214 C ASN A 94 -7.012 0.378 -9.964 1.00 0.00 C ATOM 215 O ASN A 94 -7.935 1.191 -10.033 1.00 0.00 O ATOM 216 CB ASN A 94 -7.939 -1.866 -10.606 1.00 0.00 C ATOM 217 CG ASN A 94 -8.173 -2.837 -11.750 1.00 0.00 C ATOM 218 OD1 ASN A 94 -8.150 -2.456 -12.921 1.00 0.00 O ATOM 219 ND2 ASN A 94 -8.362 -4.108 -11.425 1.00 0.00 N ATOM 0 H ASN A 94 -5.501 -2.274 -10.567 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.140 -0.395 -11.950 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.594 -2.417 -9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.884 -1.396 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.494 -4.807 -12.156 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.375 -4.387 -10.444 1.00 0.00 H new ATOM 226 N LEU A 95 -6.047 0.458 -9.052 1.00 0.00 N ATOM 227 CA LEU A 95 -6.007 1.535 -8.066 1.00 0.00 C ATOM 228 C LEU A 95 -5.786 2.876 -8.753 1.00 0.00 C ATOM 229 O LEU A 95 -6.484 3.851 -8.476 1.00 0.00 O ATOM 230 CB LEU A 95 -4.887 1.292 -7.054 1.00 0.00 C ATOM 231 CG LEU A 95 -4.943 -0.051 -6.330 1.00 0.00 C ATOM 232 CD1 LEU A 95 -3.771 -0.189 -5.377 1.00 0.00 C ATOM 233 CD2 LEU A 95 -6.256 -0.207 -5.587 1.00 0.00 C ATOM 0 H LEU A 95 -5.281 -0.211 -8.975 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.964 1.553 -7.544 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.930 1.368 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.912 2.089 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.878 -0.844 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.826 -1.152 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.838 -0.127 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.806 0.613 -4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.274 -1.171 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.356 0.592 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.083 -0.155 -6.295 1.00 0.00 H new ATOM 245 N GLY A 96 -4.819 2.907 -9.662 1.00 0.00 N ATOM 246 CA GLY A 96 -4.515 4.124 -10.391 1.00 0.00 C ATOM 247 C GLY A 96 -5.632 4.534 -11.331 1.00 0.00 C ATOM 248 O GLY A 96 -5.717 5.694 -11.734 1.00 0.00 O ATOM 0 H GLY A 96 -4.237 2.106 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.327 4.931 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.598 3.982 -10.963 1.00 0.00 H new ATOM 252 N GLU A 97 -6.493 3.584 -11.677 1.00 0.00 N ATOM 253 CA GLU A 97 -7.612 3.853 -12.570 1.00 0.00 C ATOM 254 C GLU A 97 -8.796 4.410 -11.787 1.00 0.00 C ATOM 255 O GLU A 97 -9.653 5.102 -12.343 1.00 0.00 O ATOM 256 CB GLU A 97 -8.028 2.578 -13.306 1.00 0.00 C ATOM 257 CG GLU A 97 -6.920 1.974 -14.152 1.00 0.00 C ATOM 258 CD GLU A 97 -6.341 2.964 -15.141 1.00 0.00 C ATOM 259 OE1 GLU A 97 -5.179 3.381 -14.960 1.00 0.00 O ATOM 260 OE2 GLU A 97 -7.045 3.338 -16.102 1.00 0.00 O ATOM 0 H GLU A 97 -6.437 2.619 -11.352 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.294 4.594 -13.303 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.360 1.839 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.882 2.800 -13.946 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.126 1.610 -13.500 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.309 1.111 -14.692 1.00 0.00 H new ATOM 267 N SER A 98 -8.830 4.106 -10.497 1.00 0.00 N ATOM 268 CA SER A 98 -9.887 4.579 -9.625 1.00 0.00 C ATOM 269 C SER A 98 -9.742 6.074 -9.392 1.00 0.00 C ATOM 270 O SER A 98 -8.758 6.531 -8.802 1.00 0.00 O ATOM 271 CB SER A 98 -9.845 3.831 -8.290 1.00 0.00 C ATOM 272 OG SER A 98 -10.844 4.302 -7.400 1.00 0.00 O ATOM 0 H SER A 98 -8.130 3.529 -10.032 1.00 0.00 H new ATOM 0 HA SER A 98 -10.848 4.389 -10.103 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.985 2.764 -8.465 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.863 3.953 -7.834 1.00 0.00 H new ATOM 0 HG SER A 98 -10.478 4.348 -6.492 1.00 0.00 H new ATOM 278 N ALA A 99 -10.729 6.825 -9.866 1.00 0.00 N ATOM 279 CA ALA A 99 -10.739 8.274 -9.740 1.00 0.00 C ATOM 280 C ALA A 99 -10.688 8.699 -8.280 1.00 0.00 C ATOM 281 O ALA A 99 -10.143 9.752 -7.951 1.00 0.00 O ATOM 282 CB ALA A 99 -11.973 8.852 -10.411 1.00 0.00 C ATOM 0 H ALA A 99 -11.544 6.445 -10.348 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.850 8.662 -10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.968 9.937 -10.309 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.970 8.587 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.868 8.447 -9.938 1.00 0.00 H new ATOM 288 N THR A 100 -11.241 7.871 -7.409 1.00 0.00 N ATOM 289 CA THR A 100 -11.263 8.177 -5.992 1.00 0.00 C ATOM 290 C THR A 100 -9.877 8.016 -5.377 1.00 0.00 C ATOM 291 O THR A 100 -9.410 8.885 -4.641 1.00 0.00 O ATOM 292 CB THR A 100 -12.254 7.276 -5.233 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.540 7.315 -5.868 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.382 7.728 -3.786 1.00 0.00 C ATOM 0 H THR A 100 -11.679 6.985 -7.659 1.00 0.00 H new ATOM 0 HA THR A 100 -11.585 9.214 -5.899 1.00 0.00 H new ATOM 0 HB THR A 100 -11.876 6.254 -5.250 1.00 0.00 H new ATOM 0 HG1 THR A 100 -14.164 6.738 -5.380 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.086 7.081 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.408 7.672 -3.300 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.744 8.756 -3.757 1.00 0.00 H new ATOM 302 N LEU A 101 -9.205 6.922 -5.715 1.00 0.00 N ATOM 303 CA LEU A 101 -7.947 6.585 -5.072 1.00 0.00 C ATOM 304 C LEU A 101 -6.827 7.485 -5.567 1.00 0.00 C ATOM 305 O LEU A 101 -6.029 7.981 -4.776 1.00 0.00 O ATOM 306 CB LEU A 101 -7.600 5.112 -5.299 1.00 0.00 C ATOM 307 CG LEU A 101 -6.370 4.616 -4.537 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.510 3.145 -4.206 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.100 4.850 -5.340 1.00 0.00 C ATOM 0 H LEU A 101 -9.510 6.258 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.061 6.747 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.457 4.503 -5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.438 4.952 -6.365 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.299 5.183 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.626 2.808 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.395 2.994 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.610 2.572 -5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.241 4.488 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.164 4.313 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.984 5.916 -5.534 1.00 0.00 H new ATOM 321 N ARG A 102 -6.771 7.698 -6.873 1.00 0.00 N ATOM 322 CA ARG A 102 -5.755 8.568 -7.457 1.00 0.00 C ATOM 323 C ARG A 102 -5.817 9.965 -6.847 1.00 0.00 C ATOM 324 O ARG A 102 -4.794 10.623 -6.690 1.00 0.00 O ATOM 325 CB ARG A 102 -5.908 8.662 -8.976 1.00 0.00 C ATOM 326 CG ARG A 102 -7.296 9.079 -9.427 1.00 0.00 C ATOM 327 CD ARG A 102 -7.299 9.526 -10.879 1.00 0.00 C ATOM 328 NE ARG A 102 -6.773 8.493 -11.765 1.00 0.00 N ATOM 329 CZ ARG A 102 -7.130 8.347 -13.041 1.00 0.00 C ATOM 330 NH1 ARG A 102 -7.966 9.208 -13.607 1.00 0.00 N ATOM 331 NH2 ARG A 102 -6.637 7.345 -13.756 1.00 0.00 N ATOM 0 H ARG A 102 -7.413 7.283 -7.548 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.784 8.126 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.181 9.377 -9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.668 7.694 -9.417 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.987 8.245 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -7.657 9.890 -8.795 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -8.316 9.779 -11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.701 10.432 -10.982 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.088 7.841 -11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.340 9.987 -13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.235 9.091 -14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.985 6.687 -13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.910 7.233 -14.732 1.00 0.00 H new ATOM 345 N SER A 103 -7.020 10.396 -6.475 1.00 0.00 N ATOM 346 CA SER A 103 -7.212 11.716 -5.891 1.00 0.00 C ATOM 347 C SER A 103 -6.589 11.802 -4.497 1.00 0.00 C ATOM 348 O SER A 103 -6.333 12.892 -3.986 1.00 0.00 O ATOM 349 CB SER A 103 -8.705 12.051 -5.841 1.00 0.00 C ATOM 350 OG SER A 103 -9.241 12.142 -7.154 1.00 0.00 O ATOM 0 H SER A 103 -7.875 9.848 -6.569 1.00 0.00 H new ATOM 0 HA SER A 103 -6.706 12.448 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.237 11.284 -5.278 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.854 12.994 -5.315 1.00 0.00 H new ATOM 0 HG SER A 103 -9.478 11.246 -7.473 1.00 0.00 H new ATOM 356 N LEU A 104 -6.327 10.649 -3.895 1.00 0.00 N ATOM 357 CA LEU A 104 -5.714 10.598 -2.575 1.00 0.00 C ATOM 358 C LEU A 104 -4.218 10.856 -2.693 1.00 0.00 C ATOM 359 O LEU A 104 -3.608 11.472 -1.819 1.00 0.00 O ATOM 360 CB LEU A 104 -5.961 9.235 -1.926 1.00 0.00 C ATOM 361 CG LEU A 104 -7.387 8.703 -2.068 1.00 0.00 C ATOM 362 CD1 LEU A 104 -7.536 7.381 -1.343 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.397 9.712 -1.545 1.00 0.00 C ATOM 0 H LEU A 104 -6.530 9.736 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.163 11.368 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.274 8.511 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.719 9.305 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.584 8.542 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.558 7.018 -1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.844 6.654 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.314 7.519 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.404 9.310 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.201 9.911 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.311 10.639 -2.111 1.00 0.00 H new ATOM 375 N LEU A 105 -3.646 10.398 -3.800 1.00 0.00 N ATOM 376 CA LEU A 105 -2.225 10.587 -4.090 1.00 0.00 C ATOM 377 C LEU A 105 -1.884 12.066 -4.235 1.00 0.00 C ATOM 378 O LEU A 105 -0.720 12.458 -4.149 1.00 0.00 O ATOM 379 CB LEU A 105 -1.841 9.846 -5.374 1.00 0.00 C ATOM 380 CG LEU A 105 -1.577 8.342 -5.231 1.00 0.00 C ATOM 381 CD1 LEU A 105 -2.758 7.622 -4.598 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.264 7.740 -6.590 1.00 0.00 C ATOM 0 H LEU A 105 -4.151 9.885 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.659 10.180 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.639 9.987 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.947 10.314 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.719 8.214 -4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.533 6.559 -4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.946 8.033 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.643 7.757 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.078 6.672 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.110 7.894 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.379 8.222 -7.006 1.00 0.00 H new ATOM 394 N LEU A 106 -2.909 12.880 -4.453 1.00 0.00 N ATOM 395 CA LEU A 106 -2.746 14.323 -4.588 1.00 0.00 C ATOM 396 C LEU A 106 -2.345 14.966 -3.257 1.00 0.00 C ATOM 397 O LEU A 106 -1.974 16.139 -3.215 1.00 0.00 O ATOM 398 CB LEU A 106 -4.041 14.962 -5.108 1.00 0.00 C ATOM 399 CG LEU A 106 -4.247 14.944 -6.634 1.00 0.00 C ATOM 400 CD1 LEU A 106 -3.218 15.822 -7.323 1.00 0.00 C ATOM 401 CD2 LEU A 106 -4.181 13.531 -7.193 1.00 0.00 C ATOM 0 H LEU A 106 -3.874 12.561 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.946 14.500 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.885 14.452 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.070 15.998 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.243 15.339 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.380 15.796 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.317 16.847 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.217 15.454 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.331 13.559 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.205 13.098 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.960 12.922 -6.734 1.00 0.00 H new ATOM 413 N ASN A 107 -2.423 14.199 -2.173 1.00 0.00 N ATOM 414 CA ASN A 107 -2.019 14.693 -0.859 1.00 0.00 C ATOM 415 C ASN A 107 -0.521 14.493 -0.653 1.00 0.00 C ATOM 416 O ASN A 107 -0.033 13.360 -0.666 1.00 0.00 O ATOM 417 CB ASN A 107 -2.777 13.977 0.265 1.00 0.00 C ATOM 418 CG ASN A 107 -4.263 14.268 0.268 1.00 0.00 C ATOM 419 OD1 ASN A 107 -4.710 15.280 0.805 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.041 13.367 -0.307 1.00 0.00 N ATOM 0 H ASN A 107 -2.761 13.237 -2.178 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.259 15.756 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.625 12.902 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.354 14.274 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.053 13.498 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -4.630 12.541 -0.742 1.00 0.00 H new ATOM 427 N PRO A 108 0.230 15.593 -0.456 1.00 0.00 N ATOM 428 CA PRO A 108 1.682 15.542 -0.244 1.00 0.00 C ATOM 429 C PRO A 108 2.065 14.768 1.017 1.00 0.00 C ATOM 430 O PRO A 108 3.160 14.219 1.107 1.00 0.00 O ATOM 431 CB PRO A 108 2.092 17.014 -0.118 1.00 0.00 C ATOM 432 CG PRO A 108 0.838 17.740 0.222 1.00 0.00 C ATOM 433 CD PRO A 108 -0.273 16.978 -0.443 1.00 0.00 C ATOM 0 HA PRO A 108 2.185 15.021 -1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.847 17.148 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.522 17.384 -1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.691 17.782 1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.874 18.769 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.207 17.062 0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.467 17.346 -1.451 1.00 0.00 H new ATOM 441 N HIS A 109 1.166 14.730 1.992 1.00 0.00 N ATOM 442 CA HIS A 109 1.402 13.961 3.208 1.00 0.00 C ATOM 443 C HIS A 109 1.198 12.476 2.938 1.00 0.00 C ATOM 444 O HIS A 109 2.025 11.646 3.313 1.00 0.00 O ATOM 445 CB HIS A 109 0.466 14.429 4.330 1.00 0.00 C ATOM 446 CG HIS A 109 0.582 13.633 5.596 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.421 14.015 6.614 1.00 0.00 N ATOM 448 CD2 HIS A 109 -0.058 12.495 5.955 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.271 13.108 7.563 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.386 12.170 7.210 1.00 0.00 N ATOM 0 H HIS A 109 0.271 15.219 1.966 1.00 0.00 H new ATOM 0 HA HIS A 109 2.432 14.123 3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.676 15.476 4.551 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.563 14.379 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.780 11.949 5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 109 1.797 13.122 8.506 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.097 11.367 7.768 1.00 0.00 H new ATOM 458 N LEU A 110 0.100 12.155 2.265 1.00 0.00 N ATOM 459 CA LEU A 110 -0.266 10.774 1.995 1.00 0.00 C ATOM 460 C LEU A 110 0.804 10.101 1.137 1.00 0.00 C ATOM 461 O LEU A 110 1.202 8.965 1.399 1.00 0.00 O ATOM 462 CB LEU A 110 -1.631 10.743 1.299 1.00 0.00 C ATOM 463 CG LEU A 110 -2.447 9.458 1.465 1.00 0.00 C ATOM 464 CD1 LEU A 110 -3.870 9.688 0.989 1.00 0.00 C ATOM 465 CD2 LEU A 110 -1.818 8.307 0.699 1.00 0.00 C ATOM 0 H LEU A 110 -0.557 12.841 1.894 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.335 10.222 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.225 11.577 1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.476 10.915 0.234 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.458 9.192 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.447 8.771 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.327 10.483 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.860 9.975 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.419 7.408 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.774 8.557 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.809 8.129 1.072 1.00 0.00 H new ATOM 477 N ARG A 111 1.286 10.818 0.130 1.00 0.00 N ATOM 478 CA ARG A 111 2.313 10.279 -0.756 1.00 0.00 C ATOM 479 C ARG A 111 3.631 10.088 -0.007 1.00 0.00 C ATOM 480 O ARG A 111 4.401 9.178 -0.315 1.00 0.00 O ATOM 481 CB ARG A 111 2.517 11.173 -1.985 1.00 0.00 C ATOM 482 CG ARG A 111 2.986 12.581 -1.664 1.00 0.00 C ATOM 483 CD ARG A 111 3.224 13.395 -2.927 1.00 0.00 C ATOM 484 NE ARG A 111 2.026 13.490 -3.762 1.00 0.00 N ATOM 485 CZ ARG A 111 1.866 14.382 -4.742 1.00 0.00 C ATOM 486 NH1 ARG A 111 2.806 15.287 -4.985 1.00 0.00 N ATOM 487 NH2 ARG A 111 0.760 14.368 -5.473 1.00 0.00 N ATOM 0 H ARG A 111 0.986 11.767 -0.094 1.00 0.00 H new ATOM 0 HA ARG A 111 1.969 9.305 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.245 10.702 -2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.578 11.232 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.242 13.080 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.906 12.534 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.554 14.397 -2.654 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.030 12.940 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 111 1.266 12.834 -3.584 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.656 15.303 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.678 15.966 -5.735 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.034 13.677 -5.286 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.635 15.049 -6.222 1.00 0.00 H new ATOM 501 N GLN A 112 3.882 10.938 0.987 1.00 0.00 N ATOM 502 CA GLN A 112 5.069 10.796 1.820 1.00 0.00 C ATOM 503 C GLN A 112 4.944 9.574 2.715 1.00 0.00 C ATOM 504 O GLN A 112 5.919 8.861 2.934 1.00 0.00 O ATOM 505 CB GLN A 112 5.319 12.052 2.661 1.00 0.00 C ATOM 506 CG GLN A 112 6.082 13.140 1.918 1.00 0.00 C ATOM 507 CD GLN A 112 7.583 12.884 1.839 1.00 0.00 C ATOM 508 OE1 GLN A 112 8.378 13.821 1.754 1.00 0.00 O ATOM 509 NE2 GLN A 112 7.990 11.624 1.885 1.00 0.00 N ATOM 0 H GLN A 112 3.283 11.726 1.232 1.00 0.00 H new ATOM 0 HA GLN A 112 5.926 10.664 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.362 12.453 2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.876 11.775 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.683 13.227 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.910 14.096 2.413 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.307 10.870 1.955 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.986 11.408 1.850 1.00 0.00 H new ATOM 518 N LEU A 113 3.742 9.335 3.224 1.00 0.00 N ATOM 519 CA LEU A 113 3.466 8.129 3.993 1.00 0.00 C ATOM 520 C LEU A 113 3.784 6.896 3.157 1.00 0.00 C ATOM 521 O LEU A 113 4.517 6.006 3.588 1.00 0.00 O ATOM 522 CB LEU A 113 1.998 8.089 4.429 1.00 0.00 C ATOM 523 CG LEU A 113 1.578 9.156 5.440 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.104 9.009 5.777 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.419 9.059 6.701 1.00 0.00 C ATOM 0 H LEU A 113 2.943 9.960 3.118 1.00 0.00 H new ATOM 0 HA LEU A 113 4.095 8.138 4.883 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.372 8.188 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.792 7.108 4.857 1.00 0.00 H new ATOM 0 HG LEU A 113 1.740 10.137 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.183 9.775 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.490 9.124 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.075 8.023 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.105 9.827 7.408 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.287 8.075 7.151 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.470 9.205 6.450 1.00 0.00 H new ATOM 537 N MET A 114 3.241 6.872 1.949 1.00 0.00 N ATOM 538 CA MET A 114 3.458 5.771 1.021 1.00 0.00 C ATOM 539 C MET A 114 4.943 5.471 0.838 1.00 0.00 C ATOM 540 O MET A 114 5.390 4.352 1.093 1.00 0.00 O ATOM 541 CB MET A 114 2.818 6.095 -0.328 1.00 0.00 C ATOM 542 CG MET A 114 1.314 5.869 -0.361 1.00 0.00 C ATOM 543 SD MET A 114 0.540 6.596 -1.817 1.00 0.00 S ATOM 544 CE MET A 114 1.485 5.818 -3.123 1.00 0.00 C ATOM 0 H MET A 114 2.640 7.611 1.585 1.00 0.00 H new ATOM 0 HA MET A 114 2.991 4.881 1.443 1.00 0.00 H new ATOM 0 HB2 MET A 114 3.026 7.135 -0.578 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.286 5.482 -1.099 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.110 4.798 -0.341 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.866 6.296 0.536 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.856 5.696 -4.004 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.343 6.443 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.833 4.841 -2.788 1.00 0.00 H new ATOM 554 N VAL A 115 5.712 6.472 0.422 1.00 0.00 N ATOM 555 CA VAL A 115 7.128 6.261 0.141 1.00 0.00 C ATOM 556 C VAL A 115 7.902 5.866 1.399 1.00 0.00 C ATOM 557 O VAL A 115 8.804 5.039 1.333 1.00 0.00 O ATOM 558 CB VAL A 115 7.788 7.491 -0.527 1.00 0.00 C ATOM 559 CG1 VAL A 115 7.172 7.747 -1.893 1.00 0.00 C ATOM 560 CG2 VAL A 115 7.666 8.724 0.347 1.00 0.00 C ATOM 0 H VAL A 115 5.384 7.426 0.273 1.00 0.00 H new ATOM 0 HA VAL A 115 7.174 5.434 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 115 8.849 7.274 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.647 8.615 -2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.322 6.875 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.104 7.935 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.139 9.571 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.613 8.946 0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.158 8.543 1.302 1.00 0.00 H new ATOM 570 N ASN A 116 7.535 6.433 2.545 1.00 0.00 N ATOM 571 CA ASN A 116 8.196 6.107 3.808 1.00 0.00 C ATOM 572 C ASN A 116 7.964 4.649 4.183 1.00 0.00 C ATOM 573 O ASN A 116 8.901 3.926 4.538 1.00 0.00 O ATOM 574 CB ASN A 116 7.682 7.004 4.934 1.00 0.00 C ATOM 575 CG ASN A 116 8.316 8.380 4.945 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.459 8.564 4.520 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.576 9.357 5.442 1.00 0.00 N ATOM 0 H ASN A 116 6.785 7.119 2.627 1.00 0.00 H new ATOM 0 HA ASN A 116 9.265 6.274 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.601 7.111 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.871 6.517 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.946 10.306 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.635 9.161 5.783 1.00 0.00 H new ATOM 584 N LEU A 117 6.710 4.226 4.098 1.00 0.00 N ATOM 585 CA LEU A 117 6.323 2.864 4.445 1.00 0.00 C ATOM 586 C LEU A 117 7.036 1.847 3.555 1.00 0.00 C ATOM 587 O LEU A 117 7.481 0.799 4.029 1.00 0.00 O ATOM 588 CB LEU A 117 4.807 2.706 4.309 1.00 0.00 C ATOM 589 CG LEU A 117 4.261 1.315 4.630 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.500 0.963 6.092 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.778 1.240 4.297 1.00 0.00 C ATOM 0 H LEU A 117 5.936 4.813 3.788 1.00 0.00 H new ATOM 0 HA LEU A 117 6.617 2.676 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.323 3.428 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.522 2.963 3.289 1.00 0.00 H new ATOM 0 HG LEU A 117 4.793 0.588 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.103 -0.031 6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.570 0.976 6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.998 1.692 6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.403 0.244 4.531 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.235 1.980 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.633 1.443 3.236 1.00 0.00 H new ATOM 603 N ASP A 118 7.150 2.170 2.271 1.00 0.00 N ATOM 604 CA ASP A 118 7.782 1.273 1.305 1.00 0.00 C ATOM 605 C ASP A 118 9.270 1.101 1.586 1.00 0.00 C ATOM 606 O ASP A 118 9.799 -0.012 1.505 1.00 0.00 O ATOM 607 CB ASP A 118 7.592 1.783 -0.121 1.00 0.00 C ATOM 608 CG ASP A 118 8.364 0.951 -1.125 1.00 0.00 C ATOM 609 OD1 ASP A 118 9.402 1.429 -1.628 1.00 0.00 O ATOM 610 OD2 ASP A 118 7.949 -0.196 -1.393 1.00 0.00 O ATOM 0 H ASP A 118 6.813 3.047 1.873 1.00 0.00 H new ATOM 0 HA ASP A 118 7.295 0.303 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.532 1.767 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.918 2.821 -0.182 1.00 0.00 H new ATOM 615 N GLN A 119 9.937 2.196 1.936 1.00 0.00 N ATOM 616 CA GLN A 119 11.373 2.162 2.208 1.00 0.00 C ATOM 617 C GLN A 119 11.658 1.293 3.416 1.00 0.00 C ATOM 618 O GLN A 119 12.735 0.714 3.554 1.00 0.00 O ATOM 619 CB GLN A 119 11.915 3.565 2.443 1.00 0.00 C ATOM 620 CG GLN A 119 11.669 4.493 1.278 1.00 0.00 C ATOM 621 CD GLN A 119 12.316 5.849 1.459 1.00 0.00 C ATOM 622 OE1 GLN A 119 13.364 5.971 2.089 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.688 6.880 0.918 1.00 0.00 N ATOM 0 H GLN A 119 9.509 3.116 2.038 1.00 0.00 H new ATOM 0 HA GLN A 119 11.872 1.739 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 119 11.453 3.983 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.986 3.508 2.635 1.00 0.00 H new ATOM 0 HG2 GLN A 119 12.050 4.033 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.595 4.623 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.820 6.735 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 119 12.072 7.820 1.016 1.00 0.00 H new ATOM 632 N GLY A 120 10.676 1.233 4.296 1.00 0.00 N ATOM 633 CA GLY A 120 10.697 0.265 5.367 1.00 0.00 C ATOM 634 C GLY A 120 11.651 0.616 6.484 1.00 0.00 C ATOM 635 O GLY A 120 12.206 -0.282 7.114 1.00 0.00 O ATOM 0 H GLY A 120 9.858 1.843 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.692 0.168 5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 120 10.971 -0.708 4.960 1.00 0.00 H new ATOM 639 N GLU A 121 11.847 1.914 6.730 1.00 0.00 N ATOM 640 CA GLU A 121 12.720 2.366 7.817 1.00 0.00 C ATOM 641 C GLU A 121 12.329 1.674 9.122 1.00 0.00 C ATOM 642 O GLU A 121 13.186 1.227 9.886 1.00 0.00 O ATOM 643 CB GLU A 121 12.642 3.890 7.976 1.00 0.00 C ATOM 644 CG GLU A 121 11.225 4.419 8.159 1.00 0.00 C ATOM 645 CD GLU A 121 11.180 5.916 8.384 1.00 0.00 C ATOM 646 OE1 GLU A 121 11.224 6.348 9.554 1.00 0.00 O ATOM 647 OE2 GLU A 121 11.098 6.669 7.392 1.00 0.00 O ATOM 0 H GLU A 121 11.416 2.667 6.194 1.00 0.00 H new ATOM 0 HA GLU A 121 13.748 2.102 7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 121 13.244 4.187 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.085 4.360 7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 121 10.633 4.171 7.278 1.00 0.00 H new ATOM 0 HG3 GLU A 121 10.761 3.915 9.007 1.00 0.00 H new ATOM 654 N ASP A 122 11.027 1.578 9.347 1.00 0.00 N ATOM 655 CA ASP A 122 10.476 0.785 10.432 1.00 0.00 C ATOM 656 C ASP A 122 9.007 0.543 10.157 1.00 0.00 C ATOM 657 O ASP A 122 8.130 1.153 10.771 1.00 0.00 O ATOM 658 CB ASP A 122 10.650 1.474 11.786 1.00 0.00 C ATOM 659 CG ASP A 122 10.420 0.522 12.944 1.00 0.00 C ATOM 660 OD1 ASP A 122 9.258 0.145 13.200 1.00 0.00 O ATOM 661 OD2 ASP A 122 11.409 0.144 13.606 1.00 0.00 O ATOM 0 H ASP A 122 10.322 2.050 8.780 1.00 0.00 H new ATOM 0 HA ASP A 122 11.015 -0.161 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 122 11.655 1.891 11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 122 9.953 2.309 11.860 1.00 0.00 H new ATOM 666 N LYS A 123 8.753 -0.321 9.187 1.00 0.00 N ATOM 667 CA LYS A 123 7.397 -0.691 8.804 1.00 0.00 C ATOM 668 C LYS A 123 6.600 -1.175 10.013 1.00 0.00 C ATOM 669 O LYS A 123 5.379 -1.046 10.047 1.00 0.00 O ATOM 670 CB LYS A 123 7.407 -1.776 7.712 1.00 0.00 C ATOM 671 CG LYS A 123 8.038 -3.100 8.134 1.00 0.00 C ATOM 672 CD LYS A 123 9.559 -3.059 8.072 1.00 0.00 C ATOM 673 CE LYS A 123 10.180 -4.305 8.678 1.00 0.00 C ATOM 674 NZ LYS A 123 9.803 -5.540 7.941 1.00 0.00 N ATOM 0 H LYS A 123 9.479 -0.786 8.643 1.00 0.00 H new ATOM 0 HA LYS A 123 6.915 0.201 8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.381 -1.963 7.395 1.00 0.00 H new ATOM 0 HB3 LYS A 123 7.944 -1.394 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.724 -3.343 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 123 7.671 -3.897 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 123 9.878 -2.961 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.921 -2.178 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 123 11.265 -4.203 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.866 -4.395 9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.304 -6.355 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.777 -5.690 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.064 -5.440 6.939 1.00 0.00 H new ATOM 688 N ALA A 124 7.306 -1.700 11.011 1.00 0.00 N ATOM 689 CA ALA A 124 6.673 -2.223 12.212 1.00 0.00 C ATOM 690 C ALA A 124 5.821 -1.161 12.900 1.00 0.00 C ATOM 691 O ALA A 124 4.629 -1.370 13.137 1.00 0.00 O ATOM 692 CB ALA A 124 7.725 -2.760 13.168 1.00 0.00 C ATOM 0 H ALA A 124 8.323 -1.773 11.008 1.00 0.00 H new ATOM 0 HA ALA A 124 6.013 -3.038 11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.239 -3.149 14.063 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.284 -3.560 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 124 8.408 -1.957 13.446 1.00 0.00 H new ATOM 698 N LYS A 125 6.421 -0.016 13.208 1.00 0.00 N ATOM 699 CA LYS A 125 5.691 1.050 13.879 1.00 0.00 C ATOM 700 C LYS A 125 4.938 1.921 12.878 1.00 0.00 C ATOM 701 O LYS A 125 3.922 2.526 13.222 1.00 0.00 O ATOM 702 CB LYS A 125 6.625 1.894 14.763 1.00 0.00 C ATOM 703 CG LYS A 125 7.726 2.644 14.021 1.00 0.00 C ATOM 704 CD LYS A 125 7.265 4.007 13.531 1.00 0.00 C ATOM 705 CE LYS A 125 8.402 4.779 12.883 1.00 0.00 C ATOM 706 NZ LYS A 125 9.490 5.088 13.847 1.00 0.00 N ATOM 0 H LYS A 125 7.398 0.195 13.006 1.00 0.00 H new ATOM 0 HA LYS A 125 4.952 0.584 14.531 1.00 0.00 H new ATOM 0 HB2 LYS A 125 6.022 2.617 15.312 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.088 1.240 15.501 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.585 2.769 14.680 1.00 0.00 H new ATOM 0 HG3 LYS A 125 8.059 2.048 13.171 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.454 3.882 12.814 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.865 4.580 14.368 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.807 4.199 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 125 8.016 5.708 12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.103 5.830 13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 9.077 5.419 14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 10.053 4.231 14.022 1.00 0.00 H new ATOM 720 N LEU A 126 5.420 1.978 11.637 1.00 0.00 N ATOM 721 CA LEU A 126 4.749 2.768 10.610 1.00 0.00 C ATOM 722 C LEU A 126 3.345 2.229 10.356 1.00 0.00 C ATOM 723 O LEU A 126 2.394 2.991 10.271 1.00 0.00 O ATOM 724 CB LEU A 126 5.550 2.792 9.303 1.00 0.00 C ATOM 725 CG LEU A 126 6.911 3.498 9.368 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.644 3.360 8.044 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.763 4.968 9.729 1.00 0.00 C ATOM 0 H LEU A 126 6.261 1.493 11.323 1.00 0.00 H new ATOM 0 HA LEU A 126 4.677 3.792 10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.710 1.764 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.946 3.278 8.537 1.00 0.00 H new ATOM 0 HG LEU A 126 7.493 3.016 10.153 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.607 3.866 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.803 2.304 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 126 7.049 3.811 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.747 5.435 9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.152 5.468 8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.283 5.057 10.704 1.00 0.00 H new ATOM 739 N MET A 127 3.208 0.910 10.275 1.00 0.00 N ATOM 740 CA MET A 127 1.902 0.294 10.033 1.00 0.00 C ATOM 741 C MET A 127 0.885 0.705 11.097 1.00 0.00 C ATOM 742 O MET A 127 -0.317 0.749 10.839 1.00 0.00 O ATOM 743 CB MET A 127 2.020 -1.231 10.001 1.00 0.00 C ATOM 744 CG MET A 127 2.709 -1.784 8.760 1.00 0.00 C ATOM 745 SD MET A 127 1.559 -2.271 7.453 1.00 0.00 S ATOM 746 CE MET A 127 0.804 -0.708 7.012 1.00 0.00 C ATOM 0 H MET A 127 3.978 0.248 10.372 1.00 0.00 H new ATOM 0 HA MET A 127 1.552 0.648 9.063 1.00 0.00 H new ATOM 0 HB2 MET A 127 2.570 -1.559 10.883 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.021 -1.662 10.069 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.394 -1.032 8.369 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.312 -2.647 9.043 1.00 0.00 H new ATOM 0 HE1 MET A 127 0.300 -0.806 6.051 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.079 -0.426 7.775 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.574 0.061 6.941 1.00 0.00 H new ATOM 756 N ARG A 128 1.371 1.000 12.292 1.00 0.00 N ATOM 757 CA ARG A 128 0.511 1.452 13.376 1.00 0.00 C ATOM 758 C ARG A 128 0.276 2.955 13.280 1.00 0.00 C ATOM 759 O ARG A 128 -0.862 3.420 13.312 1.00 0.00 O ATOM 760 CB ARG A 128 1.132 1.093 14.726 1.00 0.00 C ATOM 761 CG ARG A 128 1.321 -0.402 14.918 1.00 0.00 C ATOM 762 CD ARG A 128 1.992 -0.722 16.241 1.00 0.00 C ATOM 763 NE ARG A 128 2.122 -2.163 16.440 1.00 0.00 N ATOM 764 CZ ARG A 128 2.825 -2.729 17.419 1.00 0.00 C ATOM 765 NH1 ARG A 128 3.500 -1.980 18.284 1.00 0.00 N ATOM 766 NH2 ARG A 128 2.856 -4.053 17.524 1.00 0.00 N ATOM 0 H ARG A 128 2.359 0.935 12.537 1.00 0.00 H new ATOM 0 HA ARG A 128 -0.452 0.949 13.290 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.098 1.590 14.818 1.00 0.00 H new ATOM 0 HB3 ARG A 128 0.498 1.478 15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 128 0.352 -0.899 14.873 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.922 -0.800 14.100 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.978 -0.259 16.271 1.00 0.00 H new ATOM 0 HD3 ARG A 128 1.412 -0.292 17.058 1.00 0.00 H new ATOM 0 HE ARG A 128 1.641 -2.778 15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.482 -0.964 18.201 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.036 -2.421 19.031 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.343 -4.630 16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.393 -4.493 18.272 1.00 0.00 H new ATOM 780 N ALA A 129 1.361 3.701 13.120 1.00 0.00 N ATOM 781 CA ALA A 129 1.308 5.158 13.087 1.00 0.00 C ATOM 782 C ALA A 129 0.593 5.685 11.841 1.00 0.00 C ATOM 783 O ALA A 129 0.215 6.852 11.786 1.00 0.00 O ATOM 784 CB ALA A 129 2.715 5.729 13.167 1.00 0.00 C ATOM 0 H ALA A 129 2.299 3.316 13.010 1.00 0.00 H new ATOM 0 HA ALA A 129 0.730 5.485 13.951 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.668 6.818 13.142 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.186 5.408 14.096 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.301 5.372 12.321 1.00 0.00 H new ATOM 790 N TYR A 130 0.427 4.838 10.835 1.00 0.00 N ATOM 791 CA TYR A 130 -0.230 5.252 9.598 1.00 0.00 C ATOM 792 C TYR A 130 -1.740 5.050 9.666 1.00 0.00 C ATOM 793 O TYR A 130 -2.495 5.718 8.964 1.00 0.00 O ATOM 794 CB TYR A 130 0.344 4.491 8.402 1.00 0.00 C ATOM 795 CG TYR A 130 1.714 4.969 7.968 1.00 0.00 C ATOM 796 CD1 TYR A 130 2.084 4.935 6.634 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.632 5.459 8.888 1.00 0.00 C ATOM 798 CE1 TYR A 130 3.325 5.375 6.231 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.874 5.896 8.493 1.00 0.00 C ATOM 800 CZ TYR A 130 4.217 5.852 7.164 1.00 0.00 C ATOM 801 OH TYR A 130 5.452 6.296 6.764 1.00 0.00 O ATOM 0 H TYR A 130 0.735 3.866 10.848 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.038 6.317 9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.403 3.432 8.652 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.344 4.582 7.562 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.389 4.558 5.899 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.365 5.497 9.934 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.597 5.346 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.576 6.272 9.223 1.00 0.00 H new ATOM 0 HH TYR A 130 5.760 6.999 7.373 1.00 0.00 H new ATOM 811 N MET A 131 -2.181 4.149 10.533 1.00 0.00 N ATOM 812 CA MET A 131 -3.602 3.823 10.633 1.00 0.00 C ATOM 813 C MET A 131 -4.328 4.813 11.536 1.00 0.00 C ATOM 814 O MET A 131 -5.537 4.709 11.752 1.00 0.00 O ATOM 815 CB MET A 131 -3.789 2.396 11.157 1.00 0.00 C ATOM 816 CG MET A 131 -3.305 1.312 10.202 1.00 0.00 C ATOM 817 SD MET A 131 -4.590 0.691 9.090 1.00 0.00 S ATOM 818 CE MET A 131 -4.962 2.136 8.100 1.00 0.00 C ATOM 0 H MET A 131 -1.581 3.632 11.175 1.00 0.00 H new ATOM 0 HA MET A 131 -4.033 3.891 9.634 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.257 2.295 12.103 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.846 2.234 11.367 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.482 1.707 9.606 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.907 0.480 10.783 1.00 0.00 H new ATOM 0 HE1 MET A 131 -5.528 1.837 7.218 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.552 2.838 8.689 1.00 0.00 H new ATOM 0 HE3 MET A 131 -4.033 2.614 7.790 1.00 0.00 H new ATOM 828 N GLN A 132 -3.586 5.770 12.068 1.00 0.00 N ATOM 829 CA GLN A 132 -4.162 6.784 12.940 1.00 0.00 C ATOM 830 C GLN A 132 -4.366 8.097 12.190 1.00 0.00 C ATOM 831 O GLN A 132 -5.115 8.966 12.636 1.00 0.00 O ATOM 832 CB GLN A 132 -3.270 6.993 14.160 1.00 0.00 C ATOM 833 CG GLN A 132 -1.893 7.506 13.807 1.00 0.00 C ATOM 834 CD GLN A 132 -0.907 7.366 14.940 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.998 6.449 15.757 1.00 0.00 O ATOM 836 NE2 GLN A 132 0.038 8.278 14.995 1.00 0.00 N ATOM 0 H GLN A 132 -2.583 5.867 11.912 1.00 0.00 H new ATOM 0 HA GLN A 132 -5.139 6.436 13.276 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.751 7.698 14.838 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -3.173 6.050 14.698 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.520 6.963 12.938 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -1.964 8.555 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 132 0.073 9.019 14.295 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.737 8.244 15.737 1.00 0.00 H new ATOM 845 N GLU A 133 -3.716 8.232 11.039 1.00 0.00 N ATOM 846 CA GLU A 133 -3.846 9.433 10.239 1.00 0.00 C ATOM 847 C GLU A 133 -4.943 9.217 9.213 1.00 0.00 C ATOM 848 O GLU A 133 -4.839 8.326 8.367 1.00 0.00 O ATOM 849 CB GLU A 133 -2.531 9.771 9.531 1.00 0.00 C ATOM 850 CG GLU A 133 -1.294 9.361 10.309 1.00 0.00 C ATOM 851 CD GLU A 133 -0.088 10.211 9.988 1.00 0.00 C ATOM 852 OE1 GLU A 133 0.331 11.005 10.859 1.00 0.00 O ATOM 853 OE2 GLU A 133 0.451 10.094 8.876 1.00 0.00 O ATOM 0 H GLU A 133 -3.097 7.524 10.644 1.00 0.00 H new ATOM 0 HA GLU A 133 -4.097 10.269 10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.516 9.280 8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.494 10.845 9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.504 9.427 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -1.064 8.318 10.093 1.00 0.00 H new ATOM 860 N PRO A 134 -6.006 10.035 9.272 1.00 0.00 N ATOM 861 CA PRO A 134 -7.202 9.854 8.443 1.00 0.00 C ATOM 862 C PRO A 134 -6.883 9.808 6.956 1.00 0.00 C ATOM 863 O PRO A 134 -7.605 9.188 6.185 1.00 0.00 O ATOM 864 CB PRO A 134 -8.074 11.074 8.770 1.00 0.00 C ATOM 865 CG PRO A 134 -7.169 12.039 9.458 1.00 0.00 C ATOM 866 CD PRO A 134 -6.127 11.210 10.149 1.00 0.00 C ATOM 0 HA PRO A 134 -7.691 8.904 8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.495 11.509 7.864 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.912 10.797 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.712 12.723 8.743 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -7.720 12.648 10.174 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -5.181 11.744 10.241 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -6.435 10.932 11.157 1.00 0.00 H new ATOM 874 N LEU A 135 -5.779 10.434 6.569 1.00 0.00 N ATOM 875 CA LEU A 135 -5.389 10.492 5.166 1.00 0.00 C ATOM 876 C LEU A 135 -5.025 9.106 4.652 1.00 0.00 C ATOM 877 O LEU A 135 -5.464 8.693 3.578 1.00 0.00 O ATOM 878 CB LEU A 135 -4.208 11.447 4.965 1.00 0.00 C ATOM 879 CG LEU A 135 -4.501 12.921 5.258 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.261 13.768 5.022 1.00 0.00 C ATOM 881 CD2 LEU A 135 -5.652 13.418 4.399 1.00 0.00 C ATOM 0 H LEU A 135 -5.139 10.908 7.206 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.241 10.867 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.387 11.123 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -3.863 11.360 3.935 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.788 13.011 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.488 14.813 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -2.459 13.430 5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -2.946 13.670 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.845 14.467 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.392 13.312 3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.545 12.831 4.613 1.00 0.00 H new ATOM 893 N PHE A 136 -4.246 8.375 5.437 1.00 0.00 N ATOM 894 CA PHE A 136 -3.795 7.057 5.026 1.00 0.00 C ATOM 895 C PHE A 136 -4.926 6.054 5.190 1.00 0.00 C ATOM 896 O PHE A 136 -5.012 5.069 4.457 1.00 0.00 O ATOM 897 CB PHE A 136 -2.578 6.628 5.844 1.00 0.00 C ATOM 898 CG PHE A 136 -1.840 5.461 5.257 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.016 4.184 5.763 1.00 0.00 C ATOM 900 CD2 PHE A 136 -0.970 5.643 4.194 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.333 3.112 5.224 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.285 4.575 3.650 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.467 3.308 4.165 1.00 0.00 C ATOM 0 H PHE A 136 -3.916 8.671 6.356 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.503 7.094 3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.894 7.472 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.901 6.372 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.695 4.025 6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.826 6.633 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.475 2.121 5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.392 4.731 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.067 2.470 3.741 1.00 0.00 H new ATOM 913 N VAL A 137 -5.801 6.326 6.149 1.00 0.00 N ATOM 914 CA VAL A 137 -6.972 5.495 6.373 1.00 0.00 C ATOM 915 C VAL A 137 -7.884 5.525 5.150 1.00 0.00 C ATOM 916 O VAL A 137 -8.391 4.487 4.721 1.00 0.00 O ATOM 917 CB VAL A 137 -7.758 5.948 7.621 1.00 0.00 C ATOM 918 CG1 VAL A 137 -8.990 5.081 7.833 1.00 0.00 C ATOM 919 CG2 VAL A 137 -6.866 5.913 8.852 1.00 0.00 C ATOM 0 H VAL A 137 -5.720 7.119 6.785 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.625 4.476 6.542 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.089 6.974 7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.526 5.421 8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.642 5.156 6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.686 4.043 7.969 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.436 6.235 9.723 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.504 4.897 9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -6.018 6.581 8.706 1.00 0.00 H new ATOM 929 N GLU A 138 -8.069 6.714 4.578 1.00 0.00 N ATOM 930 CA GLU A 138 -8.871 6.860 3.370 1.00 0.00 C ATOM 931 C GLU A 138 -8.262 6.045 2.239 1.00 0.00 C ATOM 932 O GLU A 138 -8.958 5.302 1.551 1.00 0.00 O ATOM 933 CB GLU A 138 -8.960 8.330 2.955 1.00 0.00 C ATOM 934 CG GLU A 138 -9.561 9.233 4.016 1.00 0.00 C ATOM 935 CD GLU A 138 -10.969 8.835 4.399 1.00 0.00 C ATOM 936 OE1 GLU A 138 -11.159 8.276 5.499 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.898 9.082 3.604 1.00 0.00 O ATOM 0 H GLU A 138 -7.675 7.586 4.932 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.876 6.494 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.961 8.689 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.558 8.405 2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -8.929 9.213 4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.566 10.260 3.652 1.00 0.00 H new ATOM 944 N PHE A 139 -6.949 6.176 2.078 1.00 0.00 N ATOM 945 CA PHE A 139 -6.216 5.462 1.042 1.00 0.00 C ATOM 946 C PHE A 139 -6.369 3.958 1.212 1.00 0.00 C ATOM 947 O PHE A 139 -6.675 3.241 0.256 1.00 0.00 O ATOM 948 CB PHE A 139 -4.740 5.867 1.092 1.00 0.00 C ATOM 949 CG PHE A 139 -3.842 5.055 0.202 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.814 5.273 -1.165 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.018 4.081 0.740 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.980 4.531 -1.980 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.183 3.336 -0.068 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.163 3.561 -1.431 1.00 0.00 C ATOM 0 H PHE A 139 -6.366 6.778 2.660 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.626 5.728 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.655 6.917 0.813 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.387 5.781 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -4.450 6.030 -1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.029 3.902 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -2.967 4.709 -3.045 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.546 2.578 0.365 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.510 2.980 -2.066 1.00 0.00 H new ATOM 964 N ALA A 140 -6.181 3.495 2.437 1.00 0.00 N ATOM 965 CA ALA A 140 -6.262 2.079 2.740 1.00 0.00 C ATOM 966 C ALA A 140 -7.657 1.537 2.466 1.00 0.00 C ATOM 967 O ALA A 140 -7.813 0.517 1.801 1.00 0.00 O ATOM 968 CB ALA A 140 -5.863 1.829 4.186 1.00 0.00 C ATOM 0 H ALA A 140 -5.970 4.085 3.242 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.567 1.550 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.928 0.763 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.840 2.170 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.535 2.375 4.848 1.00 0.00 H new ATOM 974 N ASP A 141 -8.669 2.247 2.940 1.00 0.00 N ATOM 975 CA ASP A 141 -10.047 1.788 2.810 1.00 0.00 C ATOM 976 C ASP A 141 -10.479 1.811 1.348 1.00 0.00 C ATOM 977 O ASP A 141 -11.330 1.030 0.924 1.00 0.00 O ATOM 978 CB ASP A 141 -10.980 2.657 3.655 1.00 0.00 C ATOM 979 CG ASP A 141 -12.403 2.131 3.685 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.665 1.151 4.416 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.271 2.705 2.994 1.00 0.00 O ATOM 0 H ASP A 141 -8.564 3.142 3.418 1.00 0.00 H new ATOM 0 HA ASP A 141 -10.106 0.762 3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.596 2.712 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.981 3.673 3.260 1.00 0.00 H new ATOM 986 N CYS A 142 -9.863 2.697 0.579 1.00 0.00 N ATOM 987 CA CYS A 142 -10.171 2.825 -0.836 1.00 0.00 C ATOM 988 C CYS A 142 -9.557 1.688 -1.644 1.00 0.00 C ATOM 989 O CYS A 142 -10.217 1.110 -2.506 1.00 0.00 O ATOM 990 CB CYS A 142 -9.676 4.170 -1.369 1.00 0.00 C ATOM 991 SG CYS A 142 -10.633 5.592 -0.795 1.00 0.00 S ATOM 0 H CYS A 142 -9.145 3.339 0.914 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.254 2.772 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.635 4.304 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.699 4.147 -2.459 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.164 5.998 0.347 1.00 0.00 H new ATOM 997 N CYS A 143 -8.301 1.357 -1.360 1.00 0.00 N ATOM 998 CA CYS A 143 -7.606 0.334 -2.127 1.00 0.00 C ATOM 999 C CYS A 143 -8.187 -1.044 -1.842 1.00 0.00 C ATOM 1000 O CYS A 143 -8.211 -1.906 -2.719 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.100 0.361 -1.839 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.652 0.068 -0.114 1.00 0.00 S ATOM 0 H CYS A 143 -7.750 1.778 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.750 0.551 -3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.612 -0.391 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.704 1.330 -2.143 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.731 -0.100 0.592 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.691 -1.234 -0.624 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.262 -2.514 -0.223 1.00 0.00 C ATOM 1010 C LEU A 144 -10.424 -2.899 -1.127 1.00 0.00 C ATOM 1011 O LEU A 144 -10.473 -4.010 -1.642 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.732 -2.470 1.232 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.635 -2.197 2.261 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.211 -2.196 3.664 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.513 -3.215 2.140 1.00 0.00 C ATOM 0 H LEU A 144 -8.715 -0.517 0.101 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.480 -3.267 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.497 -1.700 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.206 -3.421 1.473 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.217 -1.210 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.416 -2.000 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -9.972 -1.420 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.659 -3.167 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.745 -3.000 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.910 -4.216 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.078 -3.161 1.142 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.336 -1.963 -1.353 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.505 -2.252 -2.165 1.00 0.00 C ATOM 1029 C GLY A 145 -12.151 -2.572 -3.605 1.00 0.00 C ATOM 1030 O GLY A 145 -12.920 -3.222 -4.317 1.00 0.00 O ATOM 0 H GLY A 145 -11.289 -1.011 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -13.044 -3.094 -1.732 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.179 -1.396 -2.142 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.978 -2.128 -4.026 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.532 -2.318 -5.396 1.00 0.00 C ATOM 1036 C ILE A 146 -9.737 -3.620 -5.549 1.00 0.00 C ATOM 1037 O ILE A 146 -9.796 -4.271 -6.593 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.669 -1.120 -5.854 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.430 0.190 -5.623 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -9.285 -1.261 -7.323 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.571 1.428 -5.765 1.00 0.00 C ATOM 0 H ILE A 146 -10.314 -1.630 -3.434 1.00 0.00 H new ATOM 0 HA ILE A 146 -11.419 -2.383 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.752 -1.106 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -11.256 0.249 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.867 0.175 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.678 -0.407 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.715 -2.179 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -10.188 -1.298 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -10.179 2.315 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.759 1.393 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -9.155 1.469 -6.772 1.00 0.00 H new ATOM 1053 N VAL A 147 -9.008 -4.012 -4.506 1.00 0.00 N ATOM 1054 CA VAL A 147 -8.133 -5.179 -4.602 1.00 0.00 C ATOM 1055 C VAL A 147 -8.721 -6.418 -3.935 1.00 0.00 C ATOM 1056 O VAL A 147 -8.251 -7.528 -4.178 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.740 -4.917 -3.992 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -6.106 -3.680 -4.602 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -6.825 -4.796 -2.480 1.00 0.00 C ATOM 0 H VAL A 147 -9.004 -3.547 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 147 -8.036 -5.364 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.103 -5.770 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -5.125 -3.516 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.997 -3.820 -5.677 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.740 -2.814 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -5.831 -4.612 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.484 -3.968 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.222 -5.721 -2.063 1.00 0.00 H new ATOM 1069 N GLU A 148 -9.721 -6.239 -3.086 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.320 -7.365 -2.382 1.00 0.00 C ATOM 1071 C GLU A 148 -11.381 -8.051 -3.226 1.00 0.00 C ATOM 1072 O GLU A 148 -12.421 -7.468 -3.523 1.00 0.00 O ATOM 1073 CB GLU A 148 -10.940 -6.919 -1.055 1.00 0.00 C ATOM 1074 CG GLU A 148 -9.930 -6.731 0.061 1.00 0.00 C ATOM 1075 CD GLU A 148 -9.219 -8.019 0.411 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -8.012 -8.129 0.127 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -9.867 -8.932 0.968 1.00 0.00 O ATOM 0 H GLU A 148 -10.133 -5.332 -2.868 1.00 0.00 H new ATOM 0 HA GLU A 148 -9.518 -8.075 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -11.473 -5.981 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -11.678 -7.658 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -9.196 -5.982 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -10.436 -6.345 0.946 1.00 0.00 H new ATOM 1084 N PRO A 149 -11.130 -9.305 -3.625 1.00 0.00 N ATOM 1085 CA PRO A 149 -12.135 -10.133 -4.278 1.00 0.00 C ATOM 1086 C PRO A 149 -13.054 -10.766 -3.244 1.00 0.00 C ATOM 1087 O PRO A 149 -14.067 -11.380 -3.573 1.00 0.00 O ATOM 1088 CB PRO A 149 -11.300 -11.197 -4.983 1.00 0.00 C ATOM 1089 CG PRO A 149 -10.087 -11.354 -4.128 1.00 0.00 C ATOM 1090 CD PRO A 149 -9.841 -10.014 -3.479 1.00 0.00 C ATOM 0 HA PRO A 149 -12.781 -9.577 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 149 -11.847 -12.136 -5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 149 -11.035 -10.887 -5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 149 -10.241 -12.127 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 149 -9.228 -11.658 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 149 -9.562 -10.123 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 149 -9.031 -9.475 -3.970 1.00 0.00 H new ATOM 1098 N SER A 150 -12.666 -10.600 -1.988 1.00 0.00 N ATOM 1099 CA SER A 150 -13.393 -11.135 -0.857 1.00 0.00 C ATOM 1100 C SER A 150 -14.757 -10.464 -0.727 1.00 0.00 C ATOM 1101 O SER A 150 -14.845 -9.261 -0.479 1.00 0.00 O ATOM 1102 CB SER A 150 -12.572 -10.899 0.409 1.00 0.00 C ATOM 1103 OG SER A 150 -11.193 -11.139 0.166 1.00 0.00 O ATOM 0 H SER A 150 -11.826 -10.083 -1.727 1.00 0.00 H new ATOM 0 HA SER A 150 -13.555 -12.203 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 150 -12.713 -9.875 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 150 -12.925 -11.554 1.205 1.00 0.00 H new ATOM 0 HG SER A 150 -10.670 -10.363 0.458 1.00 0.00 H new ATOM 1109 N GLN A 151 -15.815 -11.238 -0.909 1.00 0.00 N ATOM 1110 CA GLN A 151 -17.169 -10.720 -0.780 1.00 0.00 C ATOM 1111 C GLN A 151 -17.501 -10.468 0.685 1.00 0.00 C ATOM 1112 O GLN A 151 -16.821 -10.976 1.582 1.00 0.00 O ATOM 1113 CB GLN A 151 -18.166 -11.706 -1.385 1.00 0.00 C ATOM 1114 CG GLN A 151 -18.185 -13.055 -0.690 1.00 0.00 C ATOM 1115 CD GLN A 151 -18.992 -14.083 -1.450 1.00 0.00 C ATOM 1116 OE1 GLN A 151 -20.198 -14.212 -1.255 1.00 0.00 O ATOM 1117 NE2 GLN A 151 -18.330 -14.820 -2.322 1.00 0.00 N ATOM 0 H GLN A 151 -15.763 -12.229 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 151 -17.236 -9.775 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -19.165 -11.271 -1.344 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -17.926 -11.853 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -17.163 -13.414 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -18.600 -12.939 0.311 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -17.328 -14.679 -2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -18.820 -15.530 -2.866 1.00 0.00 H new ATOM 1126 N ASN A 152 -18.544 -9.688 0.926 1.00 0.00 N ATOM 1127 CA ASN A 152 -18.946 -9.347 2.286 1.00 0.00 C ATOM 1128 C ASN A 152 -19.856 -10.413 2.847 1.00 0.00 C ATOM 1129 O ASN A 152 -21.035 -10.182 3.106 1.00 0.00 O ATOM 1130 CB ASN A 152 -19.630 -7.991 2.325 1.00 0.00 C ATOM 1131 CG ASN A 152 -18.662 -6.872 2.030 1.00 0.00 C ATOM 1132 OD1 ASN A 152 -18.078 -6.277 2.937 1.00 0.00 O ATOM 1133 ND2 ASN A 152 -18.469 -6.587 0.756 1.00 0.00 N ATOM 0 H ASN A 152 -19.129 -9.278 0.198 1.00 0.00 H new ATOM 0 HA ASN A 152 -18.049 -9.292 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -20.442 -7.971 1.598 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -20.077 -7.837 3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -17.816 -5.850 0.492 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -18.973 -7.104 0.036 1.00 0.00 H new ATOM 1140 N GLU A 153 -19.264 -11.576 3.022 1.00 0.00 N ATOM 1141 CA GLU A 153 -19.926 -12.758 3.547 1.00 0.00 C ATOM 1142 C GLU A 153 -21.227 -13.080 2.820 1.00 0.00 C ATOM 1143 O GLU A 153 -21.223 -13.735 1.780 1.00 0.00 O ATOM 1144 CB GLU A 153 -20.157 -12.597 5.041 1.00 0.00 C ATOM 1145 CG GLU A 153 -18.875 -12.538 5.855 1.00 0.00 C ATOM 1146 CD GLU A 153 -18.037 -13.788 5.709 1.00 0.00 C ATOM 1147 OE1 GLU A 153 -17.165 -13.823 4.817 1.00 0.00 O ATOM 1148 OE2 GLU A 153 -18.245 -14.742 6.487 1.00 0.00 O ATOM 0 H GLU A 153 -18.281 -11.732 2.797 1.00 0.00 H new ATOM 0 HA GLU A 153 -19.266 -13.608 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 153 -20.730 -11.686 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 153 -20.765 -13.429 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 153 -18.289 -11.674 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 153 -19.123 -12.391 6.906 1.00 0.00 H new ATOM 1155 N GLU A 154 -22.327 -12.603 3.360 1.00 0.00 N ATOM 1156 CA GLU A 154 -23.642 -12.898 2.810 1.00 0.00 C ATOM 1157 C GLU A 154 -24.446 -11.622 2.574 1.00 0.00 C ATOM 1158 O GLU A 154 -25.679 -11.640 2.589 1.00 0.00 O ATOM 1159 CB GLU A 154 -24.403 -13.841 3.743 1.00 0.00 C ATOM 1160 CG GLU A 154 -24.435 -13.376 5.191 1.00 0.00 C ATOM 1161 CD GLU A 154 -25.268 -14.281 6.071 1.00 0.00 C ATOM 1162 OE1 GLU A 154 -24.775 -15.360 6.463 1.00 0.00 O ATOM 1163 OE2 GLU A 154 -26.426 -13.921 6.369 1.00 0.00 O ATOM 0 H GLU A 154 -22.341 -12.004 4.186 1.00 0.00 H new ATOM 0 HA GLU A 154 -23.502 -13.386 1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -25.426 -13.947 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -23.945 -14.829 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -23.417 -13.334 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -24.835 -12.363 5.235 1.00 0.00 H new ATOM 1170 N SER A 155 -23.744 -10.519 2.355 1.00 0.00 N ATOM 1171 CA SER A 155 -24.392 -9.244 2.086 1.00 0.00 C ATOM 1172 C SER A 155 -24.949 -9.216 0.664 1.00 0.00 C ATOM 1173 O SER A 155 -24.157 -9.028 -0.288 1.00 0.00 O ATOM 1174 CB SER A 155 -23.407 -8.092 2.297 1.00 0.00 C ATOM 1175 OG SER A 155 -22.881 -8.107 3.616 1.00 0.00 O ATOM 1176 OXT SER A 155 -26.177 -9.387 0.503 1.00 0.00 O ATOM 0 H SER A 155 -22.725 -10.482 2.358 1.00 0.00 H new ATOM 0 HA SER A 155 -25.222 -9.124 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 155 -22.593 -8.168 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 155 -23.908 -7.142 2.112 1.00 0.00 H new ATOM 0 HG SER A 155 -22.183 -8.792 3.682 1.00 0.00 H new TER 1182 SER A 155 ATOM 1183 N ASP B 462 -9.827 -8.119 7.625 1.00 0.00 N ATOM 1184 CA ASP B 462 -8.927 -8.345 8.780 1.00 0.00 C ATOM 1185 C ASP B 462 -7.671 -7.513 8.619 1.00 0.00 C ATOM 1186 O ASP B 462 -7.014 -7.555 7.579 1.00 0.00 O ATOM 1187 CB ASP B 462 -8.546 -9.818 8.885 1.00 0.00 C ATOM 1188 CG ASP B 462 -7.794 -10.134 10.161 1.00 0.00 C ATOM 1189 OD1 ASP B 462 -8.368 -10.806 11.040 1.00 0.00 O ATOM 1190 OD2 ASP B 462 -6.629 -9.716 10.299 1.00 0.00 O ATOM 0 HA ASP B 462 -9.452 -8.051 9.689 1.00 0.00 H new ATOM 0 HB2 ASP B 462 -9.449 -10.427 8.839 1.00 0.00 H new ATOM 0 HB3 ASP B 462 -7.932 -10.093 8.028 1.00 0.00 H new ATOM 1197 N ILE B 463 -7.337 -6.774 9.666 1.00 0.00 N ATOM 1198 CA ILE B 463 -6.255 -5.796 9.623 1.00 0.00 C ATOM 1199 C ILE B 463 -4.896 -6.448 9.364 1.00 0.00 C ATOM 1200 O ILE B 463 -4.027 -5.841 8.735 1.00 0.00 O ATOM 1201 CB ILE B 463 -6.209 -4.971 10.931 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -7.487 -4.145 11.080 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -4.989 -4.062 10.976 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -7.683 -3.114 9.988 1.00 0.00 C ATOM 0 H ILE B 463 -7.806 -6.833 10.570 1.00 0.00 H new ATOM 0 HA ILE B 463 -6.464 -5.129 8.787 1.00 0.00 H new ATOM 0 HB ILE B 463 -6.135 -5.671 11.763 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -8.344 -4.818 11.088 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -7.470 -3.639 12.045 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -4.990 -3.498 11.909 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -4.083 -4.666 10.918 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -5.019 -3.371 10.134 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -8.611 -2.569 10.164 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -6.846 -2.416 9.992 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -7.734 -3.614 9.021 1.00 0.00 H new ATOM 1216 N ARG B 464 -4.722 -7.685 9.818 1.00 0.00 N ATOM 1217 CA ARG B 464 -3.478 -8.412 9.573 1.00 0.00 C ATOM 1218 C ARG B 464 -3.270 -8.569 8.075 1.00 0.00 C ATOM 1219 O ARG B 464 -2.165 -8.397 7.555 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.518 -9.787 10.239 1.00 0.00 C ATOM 1221 CG ARG B 464 -3.587 -9.729 11.753 1.00 0.00 C ATOM 1222 CD ARG B 464 -3.941 -11.083 12.341 1.00 0.00 C ATOM 1223 NE ARG B 464 -5.289 -11.502 11.962 1.00 0.00 N ATOM 1224 CZ ARG B 464 -5.824 -12.684 12.270 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -5.111 -13.596 12.922 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -7.074 -12.953 11.919 1.00 0.00 N ATOM 0 H ARG B 464 -5.419 -8.203 10.353 1.00 0.00 H new ATOM 0 HA ARG B 464 -2.650 -7.847 10.000 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -4.382 -10.337 9.866 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -2.631 -10.349 9.946 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -2.628 -9.397 12.150 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -4.330 -8.992 12.057 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -3.220 -11.827 12.002 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -3.866 -11.039 13.427 1.00 0.00 H new ATOM 0 HE ARG B 464 -5.858 -10.847 11.426 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -4.148 -13.394 13.190 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -5.527 -14.498 13.154 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -7.623 -12.257 11.415 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -7.486 -13.856 12.153 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.361 -8.870 7.391 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.362 -9.006 5.946 1.00 0.00 C ATOM 1242 C HIS B 465 -4.310 -7.636 5.272 1.00 0.00 C ATOM 1243 O HIS B 465 -3.489 -7.402 4.387 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.616 -9.776 5.504 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.907 -9.693 4.036 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.311 -10.507 3.100 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.731 -8.870 3.348 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.752 -10.186 1.897 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.615 -9.200 2.023 1.00 0.00 N ATOM 0 H HIS B 465 -5.271 -9.027 7.823 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.475 -9.562 5.643 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.501 -10.824 5.781 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.475 -9.394 6.055 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.361 -8.098 3.764 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.455 -10.652 0.969 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.117 -8.753 1.256 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.186 -6.740 5.712 1.00 0.00 N ATOM 1259 CA GLU B 466 -5.354 -5.434 5.083 1.00 0.00 C ATOM 1260 C GLU B 466 -4.053 -4.636 5.056 1.00 0.00 C ATOM 1261 O GLU B 466 -3.676 -4.114 4.014 1.00 0.00 O ATOM 1262 CB GLU B 466 -6.446 -4.638 5.801 1.00 0.00 C ATOM 1263 CG GLU B 466 -7.830 -5.257 5.669 1.00 0.00 C ATOM 1264 CD GLU B 466 -8.855 -4.631 6.596 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -8.995 -3.393 6.589 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -9.541 -5.383 7.327 1.00 0.00 O ATOM 0 H GLU B 466 -5.798 -6.897 6.512 1.00 0.00 H new ATOM 0 HA GLU B 466 -5.651 -5.607 4.049 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -6.191 -4.557 6.858 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -6.470 -3.625 5.401 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.170 -5.154 4.639 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -7.765 -6.325 5.878 1.00 0.00 H new ATOM 1273 N ARG B 467 -3.358 -4.564 6.189 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.130 -3.769 6.279 1.00 0.00 C ATOM 1275 C ARG B 467 -1.066 -4.256 5.300 1.00 0.00 C ATOM 1276 O ARG B 467 -0.326 -3.456 4.730 1.00 0.00 O ATOM 1277 CB ARG B 467 -1.564 -3.783 7.697 1.00 0.00 C ATOM 1278 CG ARG B 467 -2.430 -3.056 8.712 1.00 0.00 C ATOM 1279 CD ARG B 467 -1.747 -2.975 10.069 1.00 0.00 C ATOM 1280 NE ARG B 467 -1.347 -4.291 10.564 1.00 0.00 N ATOM 1281 CZ ARG B 467 -0.731 -4.501 11.727 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -0.474 -3.488 12.548 1.00 0.00 N ATOM 1283 NH2 ARG B 467 -0.382 -5.732 12.073 1.00 0.00 N ATOM 0 H ARG B 467 -3.619 -5.041 7.052 1.00 0.00 H new ATOM 0 HA ARG B 467 -2.400 -2.747 6.014 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -1.437 -4.817 8.017 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -0.573 -3.328 7.687 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -2.648 -2.050 8.352 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -3.385 -3.572 8.814 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -0.868 -2.334 9.994 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.422 -2.508 10.787 1.00 0.00 H new ATOM 0 HE ARG B 467 -1.553 -5.102 9.981 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -0.749 -2.540 12.290 1.00 0.00 H new ATOM 0 HH12 ARG B 467 -0.002 -3.658 13.436 1.00 0.00 H new ATOM 0 HH21 ARG B 467 -0.585 -6.514 11.450 1.00 0.00 H new ATOM 0 HH22 ARG B 467 0.090 -5.898 12.962 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.008 -5.564 5.084 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.019 -6.133 4.181 1.00 0.00 C ATOM 1299 C ASN B 468 -0.450 -5.872 2.745 1.00 0.00 C ATOM 1300 O ASN B 468 0.373 -5.699 1.850 1.00 0.00 O ATOM 1301 CB ASN B 468 0.149 -7.638 4.443 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.183 -8.488 3.231 1.00 0.00 C ATOM 1303 OD1 ASN B 468 0.688 -8.805 2.419 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -1.449 -8.845 3.091 1.00 0.00 N ATOM 0 H ASN B 468 -1.630 -6.246 5.519 1.00 0.00 H new ATOM 0 HA ASN B 468 0.948 -5.661 4.354 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.176 -7.836 4.749 1.00 0.00 H new ATOM 0 HB3 ASN B 468 -0.493 -7.931 5.273 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.735 -9.404 2.287 1.00 0.00 H new ATOM 0 HD22 ASN B 468 -2.139 -8.561 3.787 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.761 -5.828 2.550 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.346 -5.516 1.258 1.00 0.00 C ATOM 1313 C VAL B 469 -1.988 -4.090 0.844 1.00 0.00 C ATOM 1314 O VAL B 469 -1.749 -3.812 -0.335 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.881 -5.712 1.303 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.604 -4.752 0.374 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.231 -7.147 0.958 1.00 0.00 C ATOM 0 H VAL B 469 -2.446 -6.008 3.284 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.938 -6.198 0.512 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.214 -5.493 2.318 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.678 -4.924 0.437 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -4.383 -3.726 0.668 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -4.270 -4.916 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.313 -7.276 0.992 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -3.869 -7.379 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -3.763 -7.819 1.677 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.919 -3.202 1.829 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.541 -1.818 1.587 1.00 0.00 C ATOM 1329 C ILE B 470 -0.124 -1.752 1.025 1.00 0.00 C ATOM 1330 O ILE B 470 0.175 -0.928 0.161 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.613 -0.968 2.875 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -2.933 -1.202 3.616 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.455 0.506 2.540 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.164 -0.947 2.775 1.00 0.00 C ATOM 0 H ILE B 470 -2.121 -3.418 2.805 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.250 -1.410 0.867 1.00 0.00 H new ATOM 0 HB ILE B 470 -0.797 -1.274 3.529 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -2.958 -2.230 3.976 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -2.965 -0.556 4.493 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.507 1.095 3.456 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.491 0.668 2.059 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.254 0.813 1.865 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.057 -1.135 3.371 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.165 0.089 2.436 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.158 -1.611 1.911 1.00 0.00 H new ATOM 1346 N LEU B 471 0.735 -2.650 1.504 1.00 0.00 N ATOM 1347 CA LEU B 471 2.122 -2.714 1.050 1.00 0.00 C ATOM 1348 C LEU B 471 2.190 -2.991 -0.449 1.00 0.00 C ATOM 1349 O LEU B 471 3.041 -2.446 -1.150 1.00 0.00 O ATOM 1350 CB LEU B 471 2.887 -3.802 1.812 1.00 0.00 C ATOM 1351 CG LEU B 471 2.938 -3.628 3.332 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.633 -4.815 3.980 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.646 -2.334 3.701 1.00 0.00 C ATOM 0 H LEU B 471 0.493 -3.346 2.209 1.00 0.00 H new ATOM 0 HA LEU B 471 2.585 -1.747 1.249 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.431 -4.767 1.589 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.908 -3.837 1.433 1.00 0.00 H new ATOM 0 HG LEU B 471 1.915 -3.578 3.705 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.661 -4.675 5.061 1.00 0.00 H new ATOM 0 HD12 LEU B 471 3.086 -5.729 3.746 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.651 -4.893 3.598 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.671 -2.230 4.786 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.665 -2.354 3.314 1.00 0.00 H new ATOM 0 HD23 LEU B 471 3.110 -1.490 3.268 1.00 0.00 H new ATOM 1365 N GLN B 472 1.290 -3.840 -0.935 1.00 0.00 N ATOM 1366 CA GLN B 472 1.216 -4.139 -2.361 1.00 0.00 C ATOM 1367 C GLN B 472 0.741 -2.919 -3.140 1.00 0.00 C ATOM 1368 O GLN B 472 1.263 -2.611 -4.211 1.00 0.00 O ATOM 1369 CB GLN B 472 0.284 -5.325 -2.631 1.00 0.00 C ATOM 1370 CG GLN B 472 0.941 -6.688 -2.452 1.00 0.00 C ATOM 1371 CD GLN B 472 1.286 -7.003 -1.012 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.383 -6.703 -0.541 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.350 -7.611 -0.305 1.00 0.00 N ATOM 0 H GLN B 472 0.603 -4.332 -0.364 1.00 0.00 H new ATOM 0 HA GLN B 472 2.218 -4.406 -2.695 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.575 -5.257 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN B 472 -0.097 -5.249 -3.649 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.272 -7.459 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.850 -6.727 -3.053 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.546 -7.841 -0.736 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.523 -7.850 0.671 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.239 -2.224 -2.581 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.817 -1.048 -3.217 1.00 0.00 C ATOM 1384 C CYS B 473 0.222 0.063 -3.349 1.00 0.00 C ATOM 1385 O CYS B 473 0.489 0.554 -4.447 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.015 -0.564 -2.399 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.263 -1.842 -2.112 1.00 0.00 S ATOM 0 H CYS B 473 -0.654 -2.457 -1.679 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.150 -1.316 -4.220 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.661 -0.192 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.480 0.276 -2.914 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.824 -2.686 -1.225 1.00 0.00 H new ATOM 1393 N VAL B 474 0.805 0.441 -2.217 1.00 0.00 N ATOM 1394 CA VAL B 474 1.843 1.457 -2.165 1.00 0.00 C ATOM 1395 C VAL B 474 2.980 1.163 -3.142 1.00 0.00 C ATOM 1396 O VAL B 474 3.352 2.019 -3.948 1.00 0.00 O ATOM 1397 CB VAL B 474 2.423 1.559 -0.737 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.594 2.521 -0.692 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.347 1.981 0.250 1.00 0.00 C ATOM 0 H VAL B 474 0.568 0.048 -1.306 1.00 0.00 H new ATOM 0 HA VAL B 474 1.379 2.401 -2.450 1.00 0.00 H new ATOM 0 HB VAL B 474 2.786 0.572 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.983 2.574 0.325 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.379 2.171 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.264 3.511 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.776 2.047 1.250 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.949 2.954 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.543 1.245 0.248 1.00 0.00 H new ATOM 1409 N ARG B 475 3.507 -0.056 -3.084 1.00 0.00 N ATOM 1410 CA ARG B 475 4.696 -0.411 -3.850 1.00 0.00 C ATOM 1411 C ARG B 475 4.421 -0.392 -5.348 1.00 0.00 C ATOM 1412 O ARG B 475 5.298 -0.041 -6.137 1.00 0.00 O ATOM 1413 CB ARG B 475 5.227 -1.777 -3.415 1.00 0.00 C ATOM 1414 CG ARG B 475 6.494 -2.199 -4.143 1.00 0.00 C ATOM 1415 CD ARG B 475 7.258 -3.245 -3.352 1.00 0.00 C ATOM 1416 NE ARG B 475 7.703 -2.714 -2.067 1.00 0.00 N ATOM 1417 CZ ARG B 475 8.114 -3.454 -1.044 1.00 0.00 C ATOM 1418 NH1 ARG B 475 8.158 -4.780 -1.141 1.00 0.00 N ATOM 1419 NH2 ARG B 475 8.487 -2.859 0.079 1.00 0.00 N ATOM 0 H ARG B 475 3.130 -0.814 -2.515 1.00 0.00 H new ATOM 0 HA ARG B 475 5.459 0.340 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.424 -1.756 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.455 -2.528 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.237 -2.597 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG B 475 7.129 -1.329 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG B 475 6.624 -4.116 -3.188 1.00 0.00 H new ATOM 0 HD3 ARG B 475 8.120 -3.582 -3.927 1.00 0.00 H new ATOM 0 HE ARG B 475 7.698 -1.701 -1.946 1.00 0.00 H new ATOM 0 HH11 ARG B 475 7.874 -5.238 -2.007 1.00 0.00 H new ATOM 0 HH12 ARG B 475 8.475 -5.339 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG B 475 8.457 -1.842 0.152 1.00 0.00 H new ATOM 0 HH22 ARG B 475 8.804 -3.418 0.871 1.00 0.00 H new ATOM 1433 N TYR B 476 3.203 -0.748 -5.740 1.00 0.00 N ATOM 1434 CA TYR B 476 2.825 -0.698 -7.139 1.00 0.00 C ATOM 1435 C TYR B 476 2.866 0.743 -7.638 1.00 0.00 C ATOM 1436 O TYR B 476 3.419 1.033 -8.699 1.00 0.00 O ATOM 1437 CB TYR B 476 1.424 -1.287 -7.347 1.00 0.00 C ATOM 1438 CG TYR B 476 0.646 -0.575 -8.430 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.872 -0.837 -9.775 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.286 0.395 -8.096 1.00 0.00 C ATOM 1441 CE1 TYR B 476 0.191 -0.145 -10.756 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -0.977 1.086 -9.070 1.00 0.00 C ATOM 1443 CZ TYR B 476 -0.734 0.815 -10.399 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.405 1.516 -11.375 1.00 0.00 O ATOM 0 H TYR B 476 2.468 -1.072 -5.111 1.00 0.00 H new ATOM 0 HA TYR B 476 3.536 -1.296 -7.709 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.513 -2.343 -7.604 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.869 -1.232 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.590 -1.592 -10.057 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.475 0.614 -7.055 1.00 0.00 H new ATOM 0 HE1 TYR B 476 0.381 -0.354 -11.798 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -1.704 1.835 -8.792 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.021 2.153 -10.956 1.00 0.00 H new ATOM 1454 N ILE B 477 2.281 1.642 -6.857 1.00 0.00 N ATOM 1455 CA ILE B 477 2.176 3.035 -7.252 1.00 0.00 C ATOM 1456 C ILE B 477 3.551 3.659 -7.367 1.00 0.00 C ATOM 1457 O ILE B 477 3.888 4.244 -8.388 1.00 0.00 O ATOM 1458 CB ILE B 477 1.329 3.845 -6.260 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.063 3.226 -6.133 1.00 0.00 C ATOM 1460 CG2 ILE B 477 1.232 5.295 -6.714 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -0.906 3.854 -5.052 1.00 0.00 C ATOM 0 H ILE B 477 1.873 1.429 -5.947 1.00 0.00 H new ATOM 0 HA ILE B 477 1.682 3.058 -8.223 1.00 0.00 H new ATOM 0 HB ILE B 477 1.809 3.822 -5.282 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.582 3.320 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE B 477 0.040 2.160 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.629 5.859 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE B 477 2.231 5.728 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.766 5.338 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -1.880 3.365 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.409 3.737 -4.089 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.040 4.915 -5.265 1.00 0.00 H new ATOM 1473 N ILE B 478 4.356 3.500 -6.329 1.00 0.00 N ATOM 1474 CA ILE B 478 5.711 4.037 -6.324 1.00 0.00 C ATOM 1475 C ILE B 478 6.523 3.479 -7.491 1.00 0.00 C ATOM 1476 O ILE B 478 7.485 4.102 -7.951 1.00 0.00 O ATOM 1477 CB ILE B 478 6.436 3.716 -5.000 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.604 4.202 -3.812 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.820 4.353 -4.974 1.00 0.00 C ATOM 1480 CD1 ILE B 478 6.265 3.966 -2.474 1.00 0.00 C ATOM 0 H ILE B 478 4.096 3.003 -5.477 1.00 0.00 H new ATOM 0 HA ILE B 478 5.629 5.119 -6.428 1.00 0.00 H new ATOM 0 HB ILE B 478 6.557 2.635 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.408 5.268 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.638 3.697 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE B 478 8.313 4.114 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE B 478 8.414 3.967 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.725 5.435 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.618 4.336 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE B 478 6.436 2.898 -2.336 1.00 0.00 H new ATOM 0 HD13 ILE B 478 7.218 4.494 -2.441 1.00 0.00 H new ATOM 1492 N LYS B 479 6.110 2.318 -7.983 1.00 0.00 N ATOM 1493 CA LYS B 479 6.850 1.630 -9.021 1.00 0.00 C ATOM 1494 C LYS B 479 6.677 2.288 -10.387 1.00 0.00 C ATOM 1495 O LYS B 479 7.605 2.302 -11.191 1.00 0.00 O ATOM 1496 CB LYS B 479 6.432 0.163 -9.094 1.00 0.00 C ATOM 1497 CG LYS B 479 7.507 -0.744 -9.663 1.00 0.00 C ATOM 1498 CD LYS B 479 8.725 -0.776 -8.755 1.00 0.00 C ATOM 1499 CE LYS B 479 9.775 -1.750 -9.251 1.00 0.00 C ATOM 1500 NZ LYS B 479 10.396 -1.318 -10.530 1.00 0.00 N ATOM 0 H LYS B 479 5.265 1.836 -7.676 1.00 0.00 H new ATOM 0 HA LYS B 479 7.905 1.694 -8.755 1.00 0.00 H new ATOM 0 HB2 LYS B 479 6.168 -0.182 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.535 0.079 -9.707 1.00 0.00 H new ATOM 0 HG2 LYS B 479 7.111 -1.753 -9.783 1.00 0.00 H new ATOM 0 HG3 LYS B 479 7.796 -0.395 -10.654 1.00 0.00 H new ATOM 0 HD2 LYS B 479 9.157 0.223 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.419 -1.055 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS B 479 10.551 -1.859 -8.493 1.00 0.00 H new ATOM 0 HE3 LYS B 479 9.320 -2.731 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 11.265 -1.865 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 9.730 -1.481 -11.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 10.628 -0.306 -10.479 1.00 0.00 H new ATOM 1514 N LYS B 480 5.499 2.818 -10.669 1.00 0.00 N ATOM 1515 CA LYS B 480 5.279 3.454 -11.961 1.00 0.00 C ATOM 1516 C LYS B 480 5.017 4.949 -11.835 1.00 0.00 C ATOM 1517 O LYS B 480 5.110 5.685 -12.818 1.00 0.00 O ATOM 1518 CB LYS B 480 4.143 2.758 -12.734 1.00 0.00 C ATOM 1519 CG LYS B 480 3.059 2.123 -11.862 1.00 0.00 C ATOM 1520 CD LYS B 480 2.233 3.151 -11.104 1.00 0.00 C ATOM 1521 CE LYS B 480 1.333 3.965 -12.024 1.00 0.00 C ATOM 1522 NZ LYS B 480 0.381 3.117 -12.796 1.00 0.00 N ATOM 0 H LYS B 480 4.696 2.823 -10.039 1.00 0.00 H new ATOM 0 HA LYS B 480 6.202 3.341 -12.530 1.00 0.00 H new ATOM 0 HB2 LYS B 480 3.675 3.487 -13.395 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.577 1.985 -13.368 1.00 0.00 H new ATOM 0 HG2 LYS B 480 2.399 1.525 -12.490 1.00 0.00 H new ATOM 0 HG3 LYS B 480 3.525 1.442 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS B 480 1.621 2.643 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.900 3.823 -10.565 1.00 0.00 H new ATOM 0 HE2 LYS B 480 0.771 4.687 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS B 480 1.950 4.535 -12.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 -0.316 3.724 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 0.904 2.566 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 -0.111 2.469 -12.148 1.00 0.00 H new ATOM 1536 N ASP B 481 4.698 5.403 -10.636 1.00 0.00 N ATOM 1537 CA ASP B 481 4.393 6.818 -10.428 1.00 0.00 C ATOM 1538 C ASP B 481 5.629 7.615 -10.034 1.00 0.00 C ATOM 1539 O ASP B 481 6.044 8.534 -10.740 1.00 0.00 O ATOM 1540 CB ASP B 481 3.310 7.000 -9.363 1.00 0.00 C ATOM 1541 CG ASP B 481 2.857 8.442 -9.238 1.00 0.00 C ATOM 1542 OD1 ASP B 481 3.546 9.240 -8.571 1.00 0.00 O ATOM 1543 OD2 ASP B 481 1.803 8.785 -9.812 1.00 0.00 O ATOM 0 H ASP B 481 4.642 4.825 -9.797 1.00 0.00 H new ATOM 0 HA ASP B 481 4.027 7.199 -11.381 1.00 0.00 H new ATOM 0 HB2 ASP B 481 2.453 6.373 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP B 481 3.690 6.657 -8.401 1.00 0.00 H new ATOM 1548 N PHE B 482 6.225 7.237 -8.910 1.00 0.00 N ATOM 1549 CA PHE B 482 7.242 8.062 -8.273 1.00 0.00 C ATOM 1550 C PHE B 482 8.648 7.735 -8.760 1.00 0.00 C ATOM 1551 O PHE B 482 9.211 8.459 -9.581 1.00 0.00 O ATOM 1552 CB PHE B 482 7.170 7.920 -6.748 1.00 0.00 C ATOM 1553 CG PHE B 482 5.944 8.541 -6.137 1.00 0.00 C ATOM 1554 CD1 PHE B 482 5.939 9.880 -5.781 1.00 0.00 C ATOM 1555 CD2 PHE B 482 4.799 7.789 -5.917 1.00 0.00 C ATOM 1556 CE1 PHE B 482 4.816 10.457 -5.220 1.00 0.00 C ATOM 1557 CE2 PHE B 482 3.674 8.362 -5.356 1.00 0.00 C ATOM 1558 CZ PHE B 482 3.682 9.697 -5.008 1.00 0.00 C ATOM 0 H PHE B 482 6.021 6.365 -8.422 1.00 0.00 H new ATOM 0 HA PHE B 482 7.032 9.094 -8.554 1.00 0.00 H new ATOM 0 HB2 PHE B 482 7.197 6.861 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE B 482 8.056 8.378 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE B 482 6.823 10.479 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE B 482 4.787 6.743 -6.187 1.00 0.00 H new ATOM 0 HE1 PHE B 482 4.825 11.502 -4.947 1.00 0.00 H new ATOM 0 HE2 PHE B 482 2.789 7.765 -5.190 1.00 0.00 H new ATOM 0 HZ PHE B 482 2.803 10.147 -4.571 1.00 0.00 H new ATOM 1568 N PHE B 483 9.215 6.648 -8.260 1.00 0.00 N ATOM 1569 CA PHE B 483 10.617 6.356 -8.519 1.00 0.00 C ATOM 1570 C PHE B 483 10.777 5.157 -9.441 1.00 0.00 C ATOM 1571 O PHE B 483 11.510 5.213 -10.427 1.00 0.00 O ATOM 1572 CB PHE B 483 11.364 6.105 -7.207 1.00 0.00 C ATOM 1573 CG PHE B 483 11.218 7.216 -6.205 1.00 0.00 C ATOM 1574 CD1 PHE B 483 11.909 8.406 -6.360 1.00 0.00 C ATOM 1575 CD2 PHE B 483 10.389 7.066 -5.105 1.00 0.00 C ATOM 1576 CE1 PHE B 483 11.775 9.425 -5.437 1.00 0.00 C ATOM 1577 CE2 PHE B 483 10.252 8.082 -4.180 1.00 0.00 C ATOM 1578 CZ PHE B 483 10.945 9.263 -4.346 1.00 0.00 C ATOM 0 H PHE B 483 8.734 5.961 -7.680 1.00 0.00 H new ATOM 0 HA PHE B 483 11.046 7.226 -9.016 1.00 0.00 H new ATOM 0 HB2 PHE B 483 11.000 5.178 -6.764 1.00 0.00 H new ATOM 0 HB3 PHE B 483 12.422 5.960 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE B 483 12.560 8.539 -7.212 1.00 0.00 H new ATOM 0 HD2 PHE B 483 9.844 6.144 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE B 483 12.320 10.348 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE B 483 9.603 7.952 -3.327 1.00 0.00 H new ATOM 0 HZ PHE B 483 10.838 10.059 -3.624 1.00 0.00 H new ATOM 1588 N GLY B 484 10.075 4.080 -9.121 1.00 0.00 N ATOM 1589 CA GLY B 484 10.167 2.872 -9.915 1.00 0.00 C ATOM 1590 C GLY B 484 11.394 2.051 -9.588 1.00 0.00 C ATOM 1591 O GLY B 484 11.735 1.118 -10.313 1.00 0.00 O ATOM 0 H GLY B 484 9.442 4.021 -8.324 1.00 0.00 H new ATOM 0 HA2 GLY B 484 9.276 2.266 -9.752 1.00 0.00 H new ATOM 0 HA3 GLY B 484 10.183 3.137 -10.972 1.00 0.00 H new ATOM 1595 N LEU B 485 12.041 2.384 -8.483 1.00 0.00 N ATOM 1596 CA LEU B 485 13.290 1.744 -8.098 1.00 0.00 C ATOM 1597 C LEU B 485 13.085 0.290 -7.674 1.00 0.00 C ATOM 1598 O LEU B 485 11.972 -0.129 -7.348 1.00 0.00 O ATOM 1599 CB LEU B 485 13.977 2.550 -6.983 1.00 0.00 C ATOM 1600 CG LEU B 485 13.085 3.001 -5.816 1.00 0.00 C ATOM 1601 CD1 LEU B 485 12.717 1.834 -4.911 1.00 0.00 C ATOM 1602 CD2 LEU B 485 13.778 4.091 -5.016 1.00 0.00 C ATOM 0 H LEU B 485 11.719 3.100 -7.832 1.00 0.00 H new ATOM 0 HA LEU B 485 13.938 1.729 -8.974 1.00 0.00 H new ATOM 0 HB2 LEU B 485 14.791 1.948 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU B 485 14.428 3.436 -7.430 1.00 0.00 H new ATOM 0 HG LEU B 485 12.162 3.399 -6.236 1.00 0.00 H new ATOM 0 HD11 LEU B 485 12.086 2.190 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU B 485 12.177 1.083 -5.487 1.00 0.00 H new ATOM 0 HD13 LEU B 485 13.625 1.392 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU B 485 13.136 4.402 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU B 485 14.718 3.709 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU B 485 13.978 4.946 -5.662 1.00 0.00 H new ATOM 1614 N ASP B 486 14.172 -0.467 -7.693 1.00 0.00 N ATOM 1615 CA ASP B 486 14.155 -1.866 -7.286 1.00 0.00 C ATOM 1616 C ASP B 486 15.243 -2.118 -6.251 1.00 0.00 C ATOM 1617 O ASP B 486 16.204 -2.849 -6.497 1.00 0.00 O ATOM 1618 CB ASP B 486 14.348 -2.795 -8.494 1.00 0.00 C ATOM 1619 CG ASP B 486 13.112 -2.894 -9.367 1.00 0.00 C ATOM 1620 OD1 ASP B 486 13.025 -2.167 -10.382 1.00 0.00 O ATOM 1621 OD2 ASP B 486 12.218 -3.706 -9.047 1.00 0.00 O ATOM 0 H ASP B 486 15.088 -0.131 -7.990 1.00 0.00 H new ATOM 0 HA ASP B 486 13.182 -2.083 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP B 486 15.182 -2.433 -9.095 1.00 0.00 H new ATOM 0 HB3 ASP B 486 14.618 -3.790 -8.141 1.00 0.00 H new ATOM 1626 N THR B 487 15.094 -1.495 -5.093 1.00 0.00 N ATOM 1627 CA THR B 487 16.074 -1.616 -4.026 1.00 0.00 C ATOM 1628 C THR B 487 15.848 -2.891 -3.221 1.00 0.00 C ATOM 1629 O THR B 487 16.785 -3.462 -2.655 1.00 0.00 O ATOM 1630 CB THR B 487 16.006 -0.402 -3.082 1.00 0.00 C ATOM 1631 OG1 THR B 487 14.646 -0.165 -2.699 1.00 0.00 O ATOM 1632 CG2 THR B 487 16.575 0.842 -3.747 1.00 0.00 C ATOM 0 H THR B 487 14.299 -0.897 -4.867 1.00 0.00 H new ATOM 0 HA THR B 487 17.060 -1.657 -4.489 1.00 0.00 H new ATOM 0 HB THR B 487 16.605 -0.622 -2.198 1.00 0.00 H new ATOM 0 HG1 THR B 487 14.606 0.607 -2.097 1.00 0.00 H new ATOM 0 HG21 THR B 487 16.514 1.684 -3.057 1.00 0.00 H new ATOM 0 HG22 THR B 487 17.617 0.667 -4.015 1.00 0.00 H new ATOM 0 HG23 THR B 487 16.002 1.068 -4.646 1.00 0.00 H new ATOM 1640 N ASN B 488 14.601 -3.340 -3.184 1.00 0.00 N ATOM 1641 CA ASN B 488 14.232 -4.515 -2.402 1.00 0.00 C ATOM 1642 C ASN B 488 14.485 -5.790 -3.197 1.00 0.00 C ATOM 1643 O ASN B 488 13.550 -6.445 -3.661 1.00 0.00 O ATOM 1644 CB ASN B 488 12.759 -4.448 -1.970 1.00 0.00 C ATOM 1645 CG ASN B 488 12.484 -3.395 -0.905 1.00 0.00 C ATOM 1646 OD1 ASN B 488 11.610 -3.574 -0.056 1.00 0.00 O ATOM 1647 ND2 ASN B 488 13.207 -2.287 -0.948 1.00 0.00 N ATOM 0 H ASN B 488 13.826 -2.908 -3.687 1.00 0.00 H new ATOM 0 HA ASN B 488 14.854 -4.529 -1.507 1.00 0.00 H new ATOM 0 HB2 ASN B 488 12.142 -4.239 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN B 488 12.455 -5.424 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN B 488 13.048 -1.548 -0.264 1.00 0.00 H new ATOM 0 HD22 ASN B 488 13.923 -2.173 -1.666 1.00 0.00 H new ATOM 1654 N SER B 489 15.751 -6.137 -3.354 1.00 0.00 N ATOM 1655 CA SER B 489 16.130 -7.314 -4.113 1.00 0.00 C ATOM 1656 C SER B 489 17.283 -8.032 -3.420 1.00 0.00 C ATOM 1657 O SER B 489 18.074 -7.409 -2.708 1.00 0.00 O ATOM 1658 CB SER B 489 16.528 -6.909 -5.537 1.00 0.00 C ATOM 1659 OG SER B 489 16.811 -8.044 -6.340 1.00 0.00 O ATOM 0 H SER B 489 16.537 -5.617 -2.963 1.00 0.00 H new ATOM 0 HA SER B 489 15.280 -7.995 -4.168 1.00 0.00 H new ATOM 0 HB2 SER B 489 15.722 -6.332 -5.991 1.00 0.00 H new ATOM 0 HB3 SER B 489 17.403 -6.260 -5.501 1.00 0.00 H new ATOM 0 HG SER B 489 17.060 -7.753 -7.242 1.00 0.00 H new ATOM 1665 N ALA B 490 17.367 -9.339 -3.622 1.00 0.00 N ATOM 1666 CA ALA B 490 18.425 -10.138 -3.029 1.00 0.00 C ATOM 1667 C ALA B 490 19.667 -10.098 -3.903 1.00 0.00 C ATOM 1668 O ALA B 490 19.978 -11.051 -4.618 1.00 0.00 O ATOM 1669 CB ALA B 490 17.963 -11.568 -2.828 1.00 0.00 C ATOM 0 H ALA B 490 16.711 -9.869 -4.195 1.00 0.00 H new ATOM 0 HA ALA B 490 18.672 -9.718 -2.054 1.00 0.00 H new ATOM 0 HB1 ALA B 490 18.769 -12.152 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA B 490 17.097 -11.581 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA B 490 17.690 -12.001 -3.790 1.00 0.00 H new ATOM 1675 N LYS B 491 20.366 -8.981 -3.845 1.00 0.00 N ATOM 1676 CA LYS B 491 21.557 -8.778 -4.659 1.00 0.00 C ATOM 1677 C LYS B 491 22.800 -9.259 -3.925 1.00 0.00 C ATOM 1678 O LYS B 491 23.925 -9.049 -4.375 1.00 0.00 O ATOM 1679 CB LYS B 491 21.705 -7.300 -5.034 1.00 0.00 C ATOM 1680 CG LYS B 491 20.501 -6.727 -5.771 1.00 0.00 C ATOM 1681 CD LYS B 491 20.313 -7.356 -7.145 1.00 0.00 C ATOM 1682 CE LYS B 491 21.451 -6.999 -8.091 1.00 0.00 C ATOM 1683 NZ LYS B 491 21.244 -7.571 -9.446 1.00 0.00 N ATOM 0 H LYS B 491 20.131 -8.194 -3.240 1.00 0.00 H new ATOM 0 HA LYS B 491 21.447 -9.362 -5.573 1.00 0.00 H new ATOM 0 HB2 LYS B 491 21.873 -6.720 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS B 491 22.591 -7.180 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS B 491 19.603 -6.887 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS B 491 20.624 -5.649 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS B 491 20.251 -8.439 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS B 491 19.367 -7.022 -7.572 1.00 0.00 H new ATOM 0 HE2 LYS B 491 21.536 -5.915 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS B 491 22.392 -7.366 -7.682 1.00 0.00 H new ATOM 0 HZ1 LYS B 491 22.040 -7.305 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS B 491 21.188 -8.607 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 491 20.359 -7.201 -9.847 1.00 0.00 H new ATOM 1697 N SER B 492 22.583 -9.912 -2.799 1.00 0.00 N ATOM 1698 CA SER B 492 23.671 -10.448 -2.002 1.00 0.00 C ATOM 1699 C SER B 492 24.258 -11.681 -2.677 1.00 0.00 C ATOM 1700 O SER B 492 23.546 -12.649 -2.953 1.00 0.00 O ATOM 1701 CB SER B 492 23.176 -10.798 -0.598 1.00 0.00 C ATOM 1702 OG SER B 492 24.244 -11.212 0.239 1.00 0.00 O ATOM 0 H SER B 492 21.655 -10.085 -2.413 1.00 0.00 H new ATOM 0 HA SER B 492 24.450 -9.690 -1.918 1.00 0.00 H new ATOM 0 HB2 SER B 492 22.682 -9.932 -0.158 1.00 0.00 H new ATOM 0 HB3 SER B 492 22.432 -11.592 -0.660 1.00 0.00 H new ATOM 0 HG SER B 492 23.897 -11.427 1.130 1.00 0.00 H new ATOM 1708 N LYS B 493 25.552 -11.634 -2.950 1.00 0.00 N ATOM 1709 CA LYS B 493 26.239 -12.737 -3.603 1.00 0.00 C ATOM 1710 C LYS B 493 26.961 -13.603 -2.578 1.00 0.00 C ATOM 1711 O LYS B 493 27.906 -14.323 -2.903 1.00 0.00 O ATOM 1712 CB LYS B 493 27.234 -12.208 -4.636 1.00 0.00 C ATOM 1713 CG LYS B 493 26.599 -11.359 -5.726 1.00 0.00 C ATOM 1714 CD LYS B 493 25.575 -12.148 -6.526 1.00 0.00 C ATOM 1715 CE LYS B 493 24.944 -11.299 -7.617 1.00 0.00 C ATOM 1716 NZ LYS B 493 25.939 -10.851 -8.629 1.00 0.00 N ATOM 0 H LYS B 493 26.151 -10.839 -2.728 1.00 0.00 H new ATOM 0 HA LYS B 493 25.494 -13.349 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS B 493 27.993 -11.616 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS B 493 27.746 -13.052 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS B 493 26.119 -10.489 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS B 493 27.374 -10.985 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS B 493 26.054 -13.019 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS B 493 24.798 -12.520 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS B 493 24.159 -11.871 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS B 493 24.469 -10.427 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 493 25.443 -10.438 -9.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 493 26.566 -10.136 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 493 26.505 -11.665 -8.944 1.00 0.00 H new ATOM 1730 N ASP B 494 26.517 -13.518 -1.335 1.00 0.00 N ATOM 1731 CA ASP B 494 27.078 -14.333 -0.266 1.00 0.00 C ATOM 1732 C ASP B 494 26.547 -15.758 -0.360 1.00 0.00 C ATOM 1733 O ASP B 494 27.247 -16.717 -0.041 1.00 0.00 O ATOM 1734 CB ASP B 494 26.739 -13.725 1.098 1.00 0.00 C ATOM 1735 CG ASP B 494 27.254 -14.555 2.258 1.00 0.00 C ATOM 1736 OD1 ASP B 494 28.436 -14.396 2.632 1.00 0.00 O ATOM 1737 OD2 ASP B 494 26.477 -15.358 2.811 1.00 0.00 O ATOM 0 H ASP B 494 25.768 -12.892 -1.039 1.00 0.00 H new ATOM 0 HA ASP B 494 28.162 -14.357 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP B 494 27.163 -12.722 1.159 1.00 0.00 H new ATOM 0 HB3 ASP B 494 25.658 -13.620 1.185 1.00 0.00 H new ATOM 1742 N VAL B 495 25.309 -15.881 -0.822 1.00 0.00 N ATOM 1743 CA VAL B 495 24.669 -17.180 -0.988 1.00 0.00 C ATOM 1744 C VAL B 495 25.268 -17.923 -2.176 1.00 0.00 C ATOM 1745 O VAL B 495 26.032 -18.887 -1.956 1.00 0.00 O ATOM 1746 CB VAL B 495 23.146 -17.036 -1.194 1.00 0.00 C ATOM 1747 CG1 VAL B 495 22.488 -18.400 -1.339 1.00 0.00 C ATOM 1748 CG2 VAL B 495 22.523 -16.257 -0.046 1.00 0.00 C ATOM 1749 OXT VAL B 495 24.993 -17.526 -3.326 1.00 0.00 O ATOM 0 H VAL B 495 24.724 -15.090 -1.090 1.00 0.00 H new ATOM 0 HA VAL B 495 24.846 -17.748 -0.075 1.00 0.00 H new ATOM 0 HB VAL B 495 22.978 -16.480 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL B 495 21.415 -18.273 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL B 495 22.911 -18.918 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL B 495 22.666 -18.987 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL B 495 21.449 -16.166 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL B 495 22.705 -16.783 0.891 1.00 0.00 H new ATOM 0 HG23 VAL B 495 22.968 -15.263 0.003 1.00 0.00 H new TER 1759 VAL B 495