USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN : amide:sc= -0.134 K(o=-0.27,f=-0.84) USER MOD Set 1.2: A 101 SER OG : rot 150:sc= -0.134 USER MOD Set 2.1: A 55 CYS SG : rot 44:sc= 0.782 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -0.11 X(o=0.67,f=0.27) USER MOD Set 3.1: A 53 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Set 3.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot -119:sc= -2.16 USER MOD Set 4.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 42 MET CE :methyl -161:sc= -4.47! (180deg=-4.78!) USER MOD Set 4.4: A 93 ASN : amide:sc= -2.1 K(o=-8.7,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.507 (180deg=0.356) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.245 F(o=-1.2,f=-0.25) USER MOD Single : A 7 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0.032) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-0.85) USER MOD Single : A 16 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.072) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.923! C(o=-1.5!,f=-0.92!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -134:sc= -1.97! (180deg=-3.38!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= -0.921 F(o=-1.7,f=-0.92) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -3.37! C(o=-3.4!,f=-6.8!) USER MOD Single : A 36 SER OG : rot -54:sc= 0.339 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 175:sc= -4.08! (180deg=-4.21!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.908 K(o=0.91,f=-0.65) USER MOD Single : A 67 CYS SG : rot -170:sc= -2 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.117 F(o=-1.6,f=-0.12) USER MOD Single : A 76 ASN :FLIP amide:sc= -5.05! C(o=-6.5!,f=-5!) USER MOD Single : A 82 MET CE :methyl -167:sc= -0.468 (180deg=-0.894) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0125 (180deg=-0.139) USER MOD Single : A 91 SER OG : rot 3:sc= 0.101 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0627 USER MOD Single : A 108 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.000617) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.45 F(o=-3.1!,f=-1.5) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.0427 X(o=-0.043,f=-0.38) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -2.59! USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.595 -9.337 -66.457 1.00 0.00 N ATOM 2 CA MET A 1 -6.823 -9.811 -65.097 1.00 0.00 C ATOM 3 C MET A 1 -6.218 -8.851 -64.078 1.00 0.00 C ATOM 4 O MET A 1 -5.061 -8.449 -64.198 1.00 0.00 O ATOM 5 CB MET A 1 -6.227 -11.208 -64.915 1.00 0.00 C ATOM 6 CG MET A 1 -7.175 -12.330 -65.308 1.00 0.00 C ATOM 7 SD MET A 1 -7.384 -12.469 -67.094 1.00 0.00 S ATOM 8 CE MET A 1 -7.219 -14.238 -67.317 1.00 0.00 C ATOM 0 H1 MET A 1 -6.748 -10.118 -67.127 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.256 -8.563 -66.670 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.618 -8.992 -66.545 1.00 0.00 H new ATOM 0 HA MET A 1 -7.899 -9.858 -64.931 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.318 -11.286 -65.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.937 -11.337 -63.872 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.797 -13.274 -64.916 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.147 -12.159 -64.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.325 -14.483 -68.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.238 -14.559 -66.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.994 -14.750 -66.746 1.00 0.00 H new ATOM 18 N LYS A 2 -7.009 -8.486 -63.074 1.00 0.00 N ATOM 19 CA LYS A 2 -6.552 -7.573 -62.033 1.00 0.00 C ATOM 20 C LYS A 2 -6.145 -8.339 -60.779 1.00 0.00 C ATOM 21 O LYS A 2 -6.664 -9.421 -60.505 1.00 0.00 O ATOM 22 CB LYS A 2 -7.651 -6.564 -61.693 1.00 0.00 C ATOM 23 CG LYS A 2 -7.923 -5.563 -62.803 1.00 0.00 C ATOM 24 CD LYS A 2 -9.021 -4.587 -62.417 1.00 0.00 C ATOM 25 CE LYS A 2 -8.488 -3.470 -61.532 1.00 0.00 C ATOM 26 NZ LYS A 2 -9.571 -2.827 -60.737 1.00 0.00 N ATOM 0 H LYS A 2 -7.970 -8.809 -62.960 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.680 -7.038 -62.410 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.571 -7.104 -61.468 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.370 -6.024 -60.789 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.010 -5.013 -63.030 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.210 -6.094 -63.711 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.463 -4.160 -63.317 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.815 -5.120 -61.894 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.731 -3.871 -60.857 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.997 -2.719 -62.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.167 -2.072 -60.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.280 -2.422 -61.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -10.023 -3.538 -60.127 1.00 0.00 H new ATOM 40 N ASP A 3 -5.214 -7.771 -60.020 1.00 0.00 N ATOM 41 CA ASP A 3 -4.739 -8.399 -58.793 1.00 0.00 C ATOM 42 C ASP A 3 -4.351 -7.347 -57.758 1.00 0.00 C ATOM 43 O ASP A 3 -4.351 -6.149 -58.045 1.00 0.00 O ATOM 44 CB ASP A 3 -3.544 -9.306 -59.089 1.00 0.00 C ATOM 45 CG ASP A 3 -2.307 -8.524 -59.483 1.00 0.00 C ATOM 46 OD1 ASP A 3 -1.795 -7.758 -58.639 1.00 0.00 O ATOM 47 OD2 ASP A 3 -1.850 -8.678 -60.634 1.00 0.00 O ATOM 0 H ASP A 3 -4.773 -6.876 -60.233 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.551 -9.001 -58.385 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.323 -9.910 -58.209 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.805 -9.996 -59.892 1.00 0.00 H new ATOM 52 N HIS A 4 -4.022 -7.802 -56.554 1.00 0.00 N ATOM 53 CA HIS A 4 -3.632 -6.900 -55.476 1.00 0.00 C ATOM 54 C HIS A 4 -2.302 -7.329 -54.863 1.00 0.00 C ATOM 55 O HIS A 4 -1.505 -6.492 -54.436 1.00 0.00 O ATOM 56 CB HIS A 4 -4.715 -6.861 -54.398 1.00 0.00 C ATOM 57 CG HIS A 4 -6.105 -6.987 -54.941 1.00 0.00 C ATOM 58 ND1 HIS A 4 -6.721 -8.016 -55.569 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 -7.037 -5.973 -54.868 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 -7.999 -7.609 -55.861 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 -8.165 -6.373 -55.427 1.00 0.00 N flip ATOM 0 H HIS A 4 -4.018 -8.790 -56.300 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.513 -5.901 -55.896 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -4.537 -7.667 -53.687 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.633 -5.925 -53.846 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.871 -5.003 -54.423 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.747 -8.203 -56.364 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.019 -5.821 -55.509 1.00 0.00 H new ATOM 70 N LEU A 5 -2.070 -8.636 -54.821 1.00 0.00 N ATOM 71 CA LEU A 5 -0.837 -9.176 -54.259 1.00 0.00 C ATOM 72 C LEU A 5 -0.351 -8.324 -53.091 1.00 0.00 C ATOM 73 O LEU A 5 0.839 -8.030 -52.977 1.00 0.00 O ATOM 74 CB LEU A 5 0.247 -9.251 -55.335 1.00 0.00 C ATOM 75 CG LEU A 5 -0.175 -9.861 -56.672 1.00 0.00 C ATOM 76 CD1 LEU A 5 0.972 -9.810 -57.669 1.00 0.00 C ATOM 77 CD2 LEU A 5 -0.652 -11.293 -56.478 1.00 0.00 C ATOM 0 H LEU A 5 -2.719 -9.341 -55.169 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.045 -10.180 -53.890 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.618 -8.243 -55.519 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.082 -9.831 -54.941 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.002 -9.274 -57.072 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.652 -10.249 -58.614 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.267 -8.773 -57.831 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.820 -10.371 -57.277 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.948 -11.711 -57.440 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.155 -11.891 -56.055 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.505 -11.304 -55.800 1.00 0.00 H new ATOM 89 N ILE A 6 -1.280 -7.932 -52.225 1.00 0.00 N ATOM 90 CA ILE A 6 -0.946 -7.116 -51.064 1.00 0.00 C ATOM 91 C ILE A 6 0.280 -7.664 -50.342 1.00 0.00 C ATOM 92 O ILE A 6 0.452 -8.877 -50.219 1.00 0.00 O ATOM 93 CB ILE A 6 -2.121 -7.042 -50.071 1.00 0.00 C ATOM 94 CG1 ILE A 6 -3.379 -6.527 -50.774 1.00 0.00 C ATOM 95 CG2 ILE A 6 -1.763 -6.149 -48.893 1.00 0.00 C ATOM 96 CD1 ILE A 6 -3.227 -5.131 -51.339 1.00 0.00 C ATOM 0 H ILE A 6 -2.269 -8.166 -52.306 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.730 -6.114 -51.434 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.323 -8.044 -49.694 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.640 -7.211 -51.582 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.209 -6.536 -50.068 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.603 -6.107 -48.200 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.890 -6.555 -48.381 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.538 -5.145 -49.253 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.157 -4.831 -51.823 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.997 -4.435 -50.532 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.418 -5.120 -52.070 1.00 0.00 H new ATOM 108 N HIS A 7 1.131 -6.762 -49.864 1.00 0.00 N ATOM 109 CA HIS A 7 2.342 -7.154 -49.152 1.00 0.00 C ATOM 110 C HIS A 7 2.010 -7.645 -47.746 1.00 0.00 C ATOM 111 O HIS A 7 1.470 -6.899 -46.929 1.00 0.00 O ATOM 112 CB HIS A 7 3.319 -5.980 -49.078 1.00 0.00 C ATOM 113 CG HIS A 7 4.745 -6.399 -48.896 1.00 0.00 C ATOM 114 ND1 HIS A 7 5.637 -6.506 -49.942 1.00 0.00 N ATOM 115 CD2 HIS A 7 5.434 -6.736 -47.780 1.00 0.00 C ATOM 116 CE1 HIS A 7 6.812 -6.892 -49.478 1.00 0.00 C ATOM 117 NE2 HIS A 7 6.716 -7.038 -48.168 1.00 0.00 N ATOM 0 H HIS A 7 1.004 -5.754 -49.957 1.00 0.00 H new ATOM 0 HA HIS A 7 2.809 -7.971 -49.702 1.00 0.00 H new ATOM 0 HB2 HIS A 7 3.236 -5.390 -49.991 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.031 -5.330 -48.252 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.047 -6.762 -46.772 1.00 0.00 H new ATOM 0 HE1 HIS A 7 7.700 -7.060 -50.069 1.00 0.00 H new ATOM 0 HE2 HIS A 7 7.471 -7.328 -47.547 1.00 0.00 H new ATOM 126 N ASN A 8 2.335 -8.903 -47.471 1.00 0.00 N ATOM 127 CA ASN A 8 2.070 -9.494 -46.164 1.00 0.00 C ATOM 128 C ASN A 8 2.978 -8.887 -45.099 1.00 0.00 C ATOM 129 O ASN A 8 3.940 -8.186 -45.413 1.00 0.00 O ATOM 130 CB ASN A 8 2.269 -11.010 -46.216 1.00 0.00 C ATOM 131 CG ASN A 8 1.422 -11.667 -47.289 1.00 0.00 C ATOM 132 OD1 ASN A 8 1.941 -12.142 -48.300 1.00 0.00 O ATOM 133 ND2 ASN A 8 0.112 -11.697 -47.073 1.00 0.00 N ATOM 0 H ASN A 8 2.783 -9.534 -48.136 1.00 0.00 H new ATOM 0 HA ASN A 8 1.035 -9.280 -45.899 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.320 -11.230 -46.401 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.020 -11.440 -45.246 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.508 -12.126 -47.760 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.274 -11.291 -46.221 1.00 0.00 H new ATOM 140 N VAL A 9 2.665 -9.161 -43.836 1.00 0.00 N ATOM 141 CA VAL A 9 3.453 -8.645 -42.724 1.00 0.00 C ATOM 142 C VAL A 9 3.607 -9.691 -41.626 1.00 0.00 C ATOM 143 O VAL A 9 2.643 -10.036 -40.942 1.00 0.00 O ATOM 144 CB VAL A 9 2.814 -7.378 -42.124 1.00 0.00 C ATOM 145 CG1 VAL A 9 3.116 -6.165 -42.991 1.00 0.00 C ATOM 146 CG2 VAL A 9 1.314 -7.566 -41.959 1.00 0.00 C ATOM 0 H VAL A 9 1.871 -9.738 -43.558 1.00 0.00 H new ATOM 0 HA VAL A 9 4.436 -8.394 -43.123 1.00 0.00 H new ATOM 0 HB VAL A 9 3.246 -7.206 -41.138 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.656 -5.280 -42.551 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.195 -6.021 -43.053 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.713 -6.324 -43.991 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.879 -6.662 -41.534 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.863 -7.764 -42.931 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.124 -8.408 -41.293 1.00 0.00 H new ATOM 156 N HIS A 10 4.827 -10.194 -41.462 1.00 0.00 N ATOM 157 CA HIS A 10 5.108 -11.202 -40.446 1.00 0.00 C ATOM 158 C HIS A 10 5.693 -10.560 -39.192 1.00 0.00 C ATOM 159 O HIS A 10 6.446 -9.589 -39.271 1.00 0.00 O ATOM 160 CB HIS A 10 6.075 -12.252 -40.993 1.00 0.00 C ATOM 161 CG HIS A 10 6.146 -13.494 -40.159 1.00 0.00 C ATOM 162 ND1 HIS A 10 7.325 -13.987 -39.642 1.00 0.00 N ATOM 163 CD2 HIS A 10 5.174 -14.343 -39.751 1.00 0.00 C ATOM 164 CE1 HIS A 10 7.076 -15.087 -38.953 1.00 0.00 C ATOM 165 NE2 HIS A 10 5.777 -15.324 -39.003 1.00 0.00 N ATOM 0 H HIS A 10 5.636 -9.920 -42.019 1.00 0.00 H new ATOM 0 HA HIS A 10 4.169 -11.687 -40.181 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.772 -12.521 -42.005 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.071 -11.815 -41.064 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.120 -14.264 -39.973 1.00 0.00 H new ATOM 0 HE1 HIS A 10 7.809 -15.689 -38.437 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.300 -16.108 -38.558 1.00 0.00 H new ATOM 174 N LYS A 11 5.341 -11.108 -38.034 1.00 0.00 N ATOM 175 CA LYS A 11 5.830 -10.590 -36.761 1.00 0.00 C ATOM 176 C LYS A 11 6.813 -11.564 -36.120 1.00 0.00 C ATOM 177 O LYS A 11 6.535 -12.757 -36.009 1.00 0.00 O ATOM 178 CB LYS A 11 4.660 -10.329 -35.810 1.00 0.00 C ATOM 179 CG LYS A 11 3.895 -11.584 -35.427 1.00 0.00 C ATOM 180 CD LYS A 11 2.486 -11.259 -34.963 1.00 0.00 C ATOM 181 CE LYS A 11 1.558 -10.996 -36.139 1.00 0.00 C ATOM 182 NZ LYS A 11 0.169 -10.697 -35.694 1.00 0.00 N ATOM 0 H LYS A 11 4.718 -11.912 -37.950 1.00 0.00 H new ATOM 0 HA LYS A 11 6.349 -9.651 -36.954 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.038 -9.854 -34.905 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.973 -9.624 -36.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.851 -12.259 -36.282 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.428 -12.108 -34.634 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.097 -12.087 -34.370 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.509 -10.384 -34.313 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.940 -10.159 -36.723 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.549 -11.866 -36.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.432 -10.524 -36.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.206 -11.506 -35.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.173 -9.852 -35.087 1.00 0.00 H new ATOM 196 N GLU A 12 7.963 -11.045 -35.698 1.00 0.00 N ATOM 197 CA GLU A 12 8.986 -11.870 -35.067 1.00 0.00 C ATOM 198 C GLU A 12 8.572 -12.263 -33.652 1.00 0.00 C ATOM 199 O GLU A 12 8.385 -11.406 -32.789 1.00 0.00 O ATOM 200 CB GLU A 12 10.322 -11.125 -35.031 1.00 0.00 C ATOM 201 CG GLU A 12 11.050 -11.117 -36.364 1.00 0.00 C ATOM 202 CD GLU A 12 12.198 -10.126 -36.396 1.00 0.00 C ATOM 203 OE1 GLU A 12 11.951 -8.926 -36.156 1.00 0.00 O ATOM 204 OE2 GLU A 12 13.342 -10.550 -36.661 1.00 0.00 O ATOM 0 H GLU A 12 8.208 -10.059 -35.782 1.00 0.00 H new ATOM 0 HA GLU A 12 9.100 -12.778 -35.659 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.146 -10.096 -34.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.964 -11.583 -34.279 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.432 -12.117 -36.571 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.344 -10.875 -37.158 1.00 0.00 H new ATOM 211 N GLU A 13 8.430 -13.565 -33.423 1.00 0.00 N ATOM 212 CA GLU A 13 8.036 -14.071 -32.113 1.00 0.00 C ATOM 213 C GLU A 13 8.905 -13.467 -31.013 1.00 0.00 C ATOM 214 O GLU A 13 10.089 -13.199 -31.219 1.00 0.00 O ATOM 215 CB GLU A 13 8.139 -15.597 -32.079 1.00 0.00 C ATOM 216 CG GLU A 13 7.581 -16.216 -30.809 1.00 0.00 C ATOM 217 CD GLU A 13 7.647 -17.731 -30.821 1.00 0.00 C ATOM 218 OE1 GLU A 13 6.691 -18.363 -31.316 1.00 0.00 O ATOM 219 OE2 GLU A 13 8.656 -18.285 -30.334 1.00 0.00 O ATOM 0 H GLU A 13 8.582 -14.288 -34.127 1.00 0.00 H new ATOM 0 HA GLU A 13 7.001 -13.780 -31.936 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.608 -16.008 -32.937 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.185 -15.885 -32.184 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.137 -15.839 -29.951 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.545 -15.902 -30.681 1.00 0.00 H new ATOM 226 N HIS A 14 8.308 -13.256 -29.844 1.00 0.00 N ATOM 227 CA HIS A 14 9.027 -12.685 -28.711 1.00 0.00 C ATOM 228 C HIS A 14 8.732 -13.463 -27.432 1.00 0.00 C ATOM 229 O HIS A 14 7.828 -13.112 -26.675 1.00 0.00 O ATOM 230 CB HIS A 14 8.646 -11.215 -28.527 1.00 0.00 C ATOM 231 CG HIS A 14 7.181 -11.000 -28.301 1.00 0.00 C ATOM 232 ND1 HIS A 14 6.673 -10.407 -27.165 1.00 0.00 N ATOM 233 CD2 HIS A 14 6.112 -11.302 -29.076 1.00 0.00 C ATOM 234 CE1 HIS A 14 5.356 -10.354 -27.249 1.00 0.00 C ATOM 235 NE2 HIS A 14 4.990 -10.891 -28.399 1.00 0.00 N ATOM 0 H HIS A 14 7.329 -13.472 -29.657 1.00 0.00 H new ATOM 0 HA HIS A 14 10.095 -12.753 -28.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.199 -10.808 -27.681 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.955 -10.655 -29.409 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.137 -11.777 -30.045 1.00 0.00 H new ATOM 0 HE1 HIS A 14 4.691 -9.942 -26.504 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.030 -10.985 -28.730 1.00 0.00 H new ATOM 244 N ALA A 15 9.501 -14.522 -27.199 1.00 0.00 N ATOM 245 CA ALA A 15 9.323 -15.349 -26.012 1.00 0.00 C ATOM 246 C ALA A 15 10.502 -16.297 -25.822 1.00 0.00 C ATOM 247 O ALA A 15 11.027 -16.853 -26.788 1.00 0.00 O ATOM 248 CB ALA A 15 8.022 -16.132 -26.105 1.00 0.00 C ATOM 0 H ALA A 15 10.253 -14.827 -27.817 1.00 0.00 H new ATOM 0 HA ALA A 15 9.277 -14.691 -25.144 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.902 -16.745 -25.212 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.185 -15.438 -26.184 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.046 -16.774 -26.986 1.00 0.00 H new ATOM 254 N HIS A 16 10.915 -16.478 -24.572 1.00 0.00 N ATOM 255 CA HIS A 16 12.032 -17.361 -24.256 1.00 0.00 C ATOM 256 C HIS A 16 11.690 -18.272 -23.080 1.00 0.00 C ATOM 257 O HIS A 16 11.032 -17.852 -22.129 1.00 0.00 O ATOM 258 CB HIS A 16 13.282 -16.540 -23.933 1.00 0.00 C ATOM 259 CG HIS A 16 13.479 -15.367 -24.843 1.00 0.00 C ATOM 260 ND1 HIS A 16 13.234 -14.066 -24.458 1.00 0.00 N ATOM 261 CD2 HIS A 16 13.902 -15.304 -26.127 1.00 0.00 C ATOM 262 CE1 HIS A 16 13.497 -13.254 -25.466 1.00 0.00 C ATOM 263 NE2 HIS A 16 13.904 -13.980 -26.491 1.00 0.00 N ATOM 0 H HIS A 16 10.493 -16.025 -23.761 1.00 0.00 H new ATOM 0 HA HIS A 16 12.229 -17.983 -25.129 1.00 0.00 H new ATOM 0 HB2 HIS A 16 13.218 -16.185 -22.904 1.00 0.00 H new ATOM 0 HB3 HIS A 16 14.157 -17.187 -23.993 1.00 0.00 H new ATOM 0 HD2 HIS A 16 14.185 -16.140 -26.750 1.00 0.00 H new ATOM 0 HE1 HIS A 16 13.396 -12.179 -25.454 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.176 -13.617 -27.404 1.00 0.00 H new ATOM 272 N ALA A 17 12.141 -19.519 -23.154 1.00 0.00 N ATOM 273 CA ALA A 17 11.883 -20.489 -22.096 1.00 0.00 C ATOM 274 C ALA A 17 11.936 -19.829 -20.723 1.00 0.00 C ATOM 275 O ALA A 17 13.010 -19.485 -20.228 1.00 0.00 O ATOM 276 CB ALA A 17 12.884 -21.632 -22.173 1.00 0.00 C ATOM 0 H ALA A 17 12.687 -19.882 -23.935 1.00 0.00 H new ATOM 0 HA ALA A 17 10.879 -20.889 -22.240 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.680 -22.349 -21.378 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.796 -22.128 -23.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.894 -21.239 -22.057 1.00 0.00 H new ATOM 282 N HIS A 18 10.769 -19.653 -20.111 1.00 0.00 N ATOM 283 CA HIS A 18 10.682 -19.033 -18.793 1.00 0.00 C ATOM 284 C HIS A 18 10.950 -20.056 -17.693 1.00 0.00 C ATOM 285 O HIS A 18 10.115 -20.915 -17.414 1.00 0.00 O ATOM 286 CB HIS A 18 9.304 -18.402 -18.593 1.00 0.00 C ATOM 287 CG HIS A 18 8.203 -19.404 -18.431 1.00 0.00 C ATOM 288 ND1 HIS A 18 7.800 -20.414 -19.237 1.00 0.00 N flip ATOM 289 CD2 HIS A 18 7.370 -19.436 -17.333 1.00 0.00 C flip ATOM 290 CE1 HIS A 18 6.742 -21.032 -18.617 1.00 0.00 C flip ATOM 291 NE2 HIS A 18 6.503 -20.423 -17.470 1.00 0.00 N flip ATOM 0 H HIS A 18 9.871 -19.931 -20.506 1.00 0.00 H new ATOM 0 HA HIS A 18 11.442 -18.254 -18.734 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.332 -17.760 -17.713 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.079 -17.763 -19.447 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.419 -18.760 -16.492 1.00 0.00 H new ATOM 0 HE1 HIS A 18 6.194 -21.878 -19.004 1.00 0.00 H new ATOM 0 HE2 HIS A 18 5.773 -20.672 -16.803 1.00 0.00 H new ATOM 300 N ASN A 19 12.122 -19.957 -17.073 1.00 0.00 N ATOM 301 CA ASN A 19 12.501 -20.875 -16.005 1.00 0.00 C ATOM 302 C ASN A 19 12.825 -20.113 -14.723 1.00 0.00 C ATOM 303 O ASN A 19 13.095 -18.912 -14.753 1.00 0.00 O ATOM 304 CB ASN A 19 13.706 -21.716 -16.430 1.00 0.00 C ATOM 305 CG ASN A 19 13.508 -22.366 -17.786 1.00 0.00 C ATOM 306 OD1 ASN A 19 12.689 -23.272 -17.939 1.00 0.00 O ATOM 307 ND2 ASN A 19 14.259 -21.903 -18.779 1.00 0.00 N ATOM 0 H ASN A 19 12.825 -19.251 -17.292 1.00 0.00 H new ATOM 0 HA ASN A 19 11.656 -21.536 -15.811 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.594 -21.085 -16.459 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.888 -22.489 -15.683 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.169 -22.300 -19.714 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.925 -21.150 -18.606 1.00 0.00 H new ATOM 314 N LYS A 20 12.797 -20.820 -13.598 1.00 0.00 N ATOM 315 CA LYS A 20 13.090 -20.213 -12.305 1.00 0.00 C ATOM 316 C LYS A 20 14.482 -20.607 -11.822 1.00 0.00 C ATOM 317 O LYS A 20 14.661 -21.658 -11.207 1.00 0.00 O ATOM 318 CB LYS A 20 12.042 -20.633 -11.273 1.00 0.00 C ATOM 319 CG LYS A 20 10.629 -20.206 -11.631 1.00 0.00 C ATOM 320 CD LYS A 20 9.977 -21.187 -12.592 1.00 0.00 C ATOM 321 CE LYS A 20 9.773 -22.548 -11.944 1.00 0.00 C ATOM 322 NZ LYS A 20 10.937 -23.449 -12.169 1.00 0.00 N ATOM 0 H LYS A 20 12.574 -21.814 -13.556 1.00 0.00 H new ATOM 0 HA LYS A 20 13.060 -19.130 -12.424 1.00 0.00 H new ATOM 0 HB2 LYS A 20 12.068 -21.717 -11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.307 -20.207 -10.305 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.030 -20.131 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.651 -19.214 -12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.016 -20.792 -12.921 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.599 -21.295 -13.481 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.614 -22.420 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.872 -23.011 -12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.598 -24.388 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.544 -23.053 -12.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.484 -23.537 -11.289 1.00 0.00 H new ATOM 336 N ASP A 21 15.463 -19.757 -12.103 1.00 0.00 N ATOM 337 CA ASP A 21 16.839 -20.015 -11.694 1.00 0.00 C ATOM 338 C ASP A 21 17.424 -18.811 -10.963 1.00 0.00 C ATOM 339 O ASP A 21 18.642 -18.635 -10.910 1.00 0.00 O ATOM 340 CB ASP A 21 17.700 -20.356 -12.912 1.00 0.00 C ATOM 341 CG ASP A 21 18.368 -19.133 -13.509 1.00 0.00 C ATOM 342 OD1 ASP A 21 17.642 -18.219 -13.953 1.00 0.00 O ATOM 343 OD2 ASP A 21 19.616 -19.090 -13.533 1.00 0.00 O ATOM 0 H ASP A 21 15.331 -18.883 -12.612 1.00 0.00 H new ATOM 0 HA ASP A 21 16.836 -20.865 -11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.463 -21.079 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.079 -20.834 -13.670 1.00 0.00 H new ATOM 348 N TYR A 22 16.549 -17.984 -10.402 1.00 0.00 N ATOM 349 CA TYR A 22 16.979 -16.794 -9.677 1.00 0.00 C ATOM 350 C TYR A 22 16.812 -16.983 -8.172 1.00 0.00 C ATOM 351 O TYR A 22 16.139 -17.910 -7.722 1.00 0.00 O ATOM 352 CB TYR A 22 16.182 -15.573 -10.140 1.00 0.00 C ATOM 353 CG TYR A 22 14.722 -15.867 -10.401 1.00 0.00 C ATOM 354 CD1 TYR A 22 14.319 -16.509 -11.566 1.00 0.00 C ATOM 355 CD2 TYR A 22 13.744 -15.503 -9.483 1.00 0.00 C ATOM 356 CE1 TYR A 22 12.987 -16.779 -11.809 1.00 0.00 C ATOM 357 CE2 TYR A 22 12.409 -15.770 -9.717 1.00 0.00 C ATOM 358 CZ TYR A 22 12.035 -16.408 -10.881 1.00 0.00 C ATOM 359 OH TYR A 22 10.707 -16.676 -11.119 1.00 0.00 O ATOM 0 H TYR A 22 15.538 -18.116 -10.435 1.00 0.00 H new ATOM 0 HA TYR A 22 18.036 -16.632 -9.890 1.00 0.00 H new ATOM 0 HB2 TYR A 22 16.257 -14.792 -9.383 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.633 -15.179 -11.051 1.00 0.00 H new ATOM 0 HD1 TYR A 22 15.061 -16.802 -12.294 1.00 0.00 H new ATOM 0 HD2 TYR A 22 14.033 -15.003 -8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.692 -17.278 -12.720 1.00 0.00 H new ATOM 0 HE2 TYR A 22 11.662 -15.481 -8.992 1.00 0.00 H new ATOM 0 HH TYR A 22 10.168 -16.351 -10.368 1.00 0.00 H new ATOM 369 N ASP A 23 17.430 -16.097 -7.399 1.00 0.00 N ATOM 370 CA ASP A 23 17.350 -16.163 -5.944 1.00 0.00 C ATOM 371 C ASP A 23 16.076 -15.493 -5.439 1.00 0.00 C ATOM 372 O ASP A 23 15.951 -14.268 -5.476 1.00 0.00 O ATOM 373 CB ASP A 23 18.575 -15.499 -5.314 1.00 0.00 C ATOM 374 CG ASP A 23 19.860 -15.854 -6.035 1.00 0.00 C ATOM 375 OD1 ASP A 23 20.072 -17.052 -6.316 1.00 0.00 O ATOM 376 OD2 ASP A 23 20.656 -14.933 -6.317 1.00 0.00 O ATOM 0 H ASP A 23 17.992 -15.324 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 23 17.326 -17.213 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.443 -14.417 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.652 -15.802 -4.270 1.00 0.00 H new ATOM 381 N ILE A 24 15.133 -16.303 -4.969 1.00 0.00 N ATOM 382 CA ILE A 24 13.870 -15.787 -4.457 1.00 0.00 C ATOM 383 C ILE A 24 13.751 -16.018 -2.954 1.00 0.00 C ATOM 384 O ILE A 24 14.080 -17.086 -2.437 1.00 0.00 O ATOM 385 CB ILE A 24 12.667 -16.442 -5.162 1.00 0.00 C ATOM 386 CG1 ILE A 24 13.052 -16.872 -6.579 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.487 -15.483 -5.196 1.00 0.00 C ATOM 388 CD1 ILE A 24 13.514 -18.309 -6.670 1.00 0.00 C ATOM 0 H ILE A 24 15.220 -17.319 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 24 13.861 -14.716 -4.660 1.00 0.00 H new ATOM 0 HB ILE A 24 12.373 -17.329 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.195 -16.732 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.845 -16.220 -6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.645 -15.960 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.202 -15.221 -4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.768 -14.580 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 24 13.770 -18.544 -7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.390 -18.450 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.715 -18.970 -6.335 1.00 0.00 H new ATOM 400 N PRO A 25 13.267 -14.995 -2.235 1.00 0.00 N ATOM 401 CA PRO A 25 13.090 -15.063 -0.781 1.00 0.00 C ATOM 402 C PRO A 25 11.963 -16.007 -0.377 1.00 0.00 C ATOM 403 O PRO A 25 10.814 -15.830 -0.784 1.00 0.00 O ATOM 404 CB PRO A 25 12.744 -13.622 -0.398 1.00 0.00 C ATOM 405 CG PRO A 25 12.149 -13.035 -1.631 1.00 0.00 C ATOM 406 CD PRO A 25 12.854 -13.693 -2.785 1.00 0.00 C ATOM 0 HA PRO A 25 13.977 -15.450 -0.280 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.041 -13.592 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.631 -13.071 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.076 -13.220 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.287 -11.954 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.194 -13.811 -3.645 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.711 -13.108 -3.119 1.00 0.00 H new ATOM 414 N THR A 26 12.298 -17.012 0.426 1.00 0.00 N ATOM 415 CA THR A 26 11.315 -17.985 0.884 1.00 0.00 C ATOM 416 C THR A 26 10.604 -17.498 2.141 1.00 0.00 C ATOM 417 O THR A 26 10.386 -18.264 3.081 1.00 0.00 O ATOM 418 CB THR A 26 11.967 -19.350 1.173 1.00 0.00 C ATOM 419 OG1 THR A 26 12.930 -19.220 2.225 1.00 0.00 O ATOM 420 CG2 THR A 26 12.642 -19.903 -0.074 1.00 0.00 C ATOM 0 H THR A 26 13.244 -17.173 0.773 1.00 0.00 H new ATOM 0 HA THR A 26 10.588 -18.101 0.080 1.00 0.00 H new ATOM 0 HB THR A 26 11.184 -20.044 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.339 -20.093 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.095 -20.867 0.155 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.901 -20.029 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.414 -19.210 -0.408 1.00 0.00 H new ATOM 428 N THR A 27 10.243 -16.219 2.154 1.00 0.00 N ATOM 429 CA THR A 27 9.557 -15.629 3.296 1.00 0.00 C ATOM 430 C THR A 27 8.087 -16.030 3.321 1.00 0.00 C ATOM 431 O THR A 27 7.539 -16.476 2.314 1.00 0.00 O ATOM 432 CB THR A 27 9.658 -14.092 3.281 1.00 0.00 C ATOM 433 OG1 THR A 27 8.984 -13.568 2.131 1.00 0.00 O ATOM 434 CG2 THR A 27 11.113 -13.646 3.269 1.00 0.00 C ATOM 0 H THR A 27 10.415 -15.571 1.385 1.00 0.00 H new ATOM 0 HA THR A 27 10.050 -16.009 4.191 1.00 0.00 H new ATOM 0 HB THR A 27 9.184 -13.710 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.051 -12.590 2.130 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.160 -12.557 3.258 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.616 -14.022 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.607 -14.039 2.380 1.00 0.00 H new ATOM 442 N GLU A 28 7.453 -15.867 4.479 1.00 0.00 N ATOM 443 CA GLU A 28 6.045 -16.213 4.633 1.00 0.00 C ATOM 444 C GLU A 28 5.164 -14.972 4.515 1.00 0.00 C ATOM 445 O GLU A 28 4.189 -14.818 5.249 1.00 0.00 O ATOM 446 CB GLU A 28 5.809 -16.892 5.984 1.00 0.00 C ATOM 447 CG GLU A 28 6.561 -18.203 6.145 1.00 0.00 C ATOM 448 CD GLU A 28 6.231 -18.908 7.446 1.00 0.00 C ATOM 449 OE1 GLU A 28 5.107 -19.441 7.562 1.00 0.00 O ATOM 450 OE2 GLU A 28 7.095 -18.929 8.347 1.00 0.00 O ATOM 0 H GLU A 28 7.892 -15.498 5.323 1.00 0.00 H new ATOM 0 HA GLU A 28 5.778 -16.905 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.108 -16.211 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.742 -17.077 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.321 -18.860 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.633 -18.010 6.102 1.00 0.00 H new ATOM 457 N ASN A 29 5.516 -14.090 3.586 1.00 0.00 N ATOM 458 CA ASN A 29 4.759 -12.862 3.371 1.00 0.00 C ATOM 459 C ASN A 29 4.804 -12.444 1.905 1.00 0.00 C ATOM 460 O ASN A 29 5.879 -12.332 1.313 1.00 0.00 O ATOM 461 CB ASN A 29 5.311 -11.738 4.251 1.00 0.00 C ATOM 462 CG ASN A 29 5.204 -12.056 5.730 1.00 0.00 C ATOM 463 OD1 ASN A 29 6.146 -12.844 6.235 1.00 0.00 O flip ATOM 464 ND2 ASN A 29 4.286 -11.599 6.410 1.00 0.00 N flip ATOM 0 H ASN A 29 6.321 -14.202 2.970 1.00 0.00 H new ATOM 0 HA ASN A 29 3.721 -13.052 3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.355 -11.560 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.769 -10.816 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.584 -10.997 5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.227 -11.822 7.404 1.00 0.00 H new ATOM 471 N LEU A 30 3.632 -12.214 1.325 1.00 0.00 N ATOM 472 CA LEU A 30 3.536 -11.807 -0.073 1.00 0.00 C ATOM 473 C LEU A 30 3.325 -10.300 -0.189 1.00 0.00 C ATOM 474 O LEU A 30 2.957 -9.639 0.782 1.00 0.00 O ATOM 475 CB LEU A 30 2.390 -12.548 -0.764 1.00 0.00 C ATOM 476 CG LEU A 30 2.742 -13.903 -1.379 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.569 -13.717 -2.642 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.487 -14.768 -0.373 1.00 0.00 C ATOM 0 H LEU A 30 2.734 -12.302 1.801 1.00 0.00 H new ATOM 0 HA LEU A 30 4.475 -12.063 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.591 -12.697 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.991 -11.907 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 30 1.816 -14.411 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.810 -14.692 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.999 -13.137 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.491 -13.189 -2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.729 -15.728 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.407 -14.266 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.859 -14.930 0.503 1.00 0.00 H new ATOM 490 N TYR A 31 3.559 -9.766 -1.382 1.00 0.00 N ATOM 491 CA TYR A 31 3.394 -8.337 -1.624 1.00 0.00 C ATOM 492 C TYR A 31 2.459 -8.089 -2.804 1.00 0.00 C ATOM 493 O TYR A 31 2.353 -8.914 -3.712 1.00 0.00 O ATOM 494 CB TYR A 31 4.752 -7.684 -1.889 1.00 0.00 C ATOM 495 CG TYR A 31 5.759 -7.912 -0.785 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.407 -7.743 0.549 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.063 -8.296 -1.074 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.324 -7.950 1.562 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.986 -8.506 -0.068 1.00 0.00 C ATOM 500 CZ TYR A 31 7.612 -8.332 1.248 1.00 0.00 C ATOM 501 OH TYR A 31 8.529 -8.539 2.253 1.00 0.00 O ATOM 0 H TYR A 31 3.863 -10.300 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 31 2.951 -7.892 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.156 -8.072 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.610 -6.612 -2.024 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.399 -7.445 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.360 -8.433 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.034 -7.814 2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.995 -8.805 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 31 9.388 -8.804 1.863 1.00 0.00 H new ATOM 511 N PHE A 32 1.783 -6.945 -2.785 1.00 0.00 N ATOM 512 CA PHE A 32 0.857 -6.586 -3.852 1.00 0.00 C ATOM 513 C PHE A 32 0.647 -5.076 -3.905 1.00 0.00 C ATOM 514 O PHE A 32 0.198 -4.467 -2.934 1.00 0.00 O ATOM 515 CB PHE A 32 -0.486 -7.292 -3.649 1.00 0.00 C ATOM 516 CG PHE A 32 -0.376 -8.790 -3.614 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.064 -9.502 -4.760 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.584 -9.485 -2.433 1.00 0.00 C ATOM 519 CE1 PHE A 32 0.037 -10.880 -4.730 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.484 -10.863 -2.397 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.172 -11.562 -3.547 1.00 0.00 C ATOM 0 H PHE A 32 1.859 -6.251 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 32 1.290 -6.908 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.932 -6.946 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.164 -7.004 -4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.102 -8.975 -5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.827 -8.944 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.279 -11.424 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.650 -11.393 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.092 -12.639 -3.521 1.00 0.00 H new ATOM 531 N GLN A 33 0.975 -4.479 -5.046 1.00 0.00 N ATOM 532 CA GLN A 33 0.824 -3.040 -5.225 1.00 0.00 C ATOM 533 C GLN A 33 -0.206 -2.731 -6.307 1.00 0.00 C ATOM 534 O GLN A 33 -0.247 -3.390 -7.345 1.00 0.00 O ATOM 535 CB GLN A 33 2.168 -2.406 -5.589 1.00 0.00 C ATOM 536 CG GLN A 33 3.250 -2.632 -4.545 1.00 0.00 C ATOM 537 CD GLN A 33 3.016 -1.831 -3.279 1.00 0.00 C ATOM 538 OE1 GLN A 33 2.649 -2.382 -2.241 1.00 0.00 O ATOM 539 NE2 GLN A 33 3.227 -0.522 -3.359 1.00 0.00 N ATOM 0 H GLN A 33 1.347 -4.969 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 33 0.474 -2.617 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.505 -2.811 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.029 -1.334 -5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.294 -3.692 -4.297 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.218 -2.363 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.531 -0.107 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.085 0.068 -2.539 1.00 0.00 H new ATOM 548 N GLY A 34 -1.038 -1.725 -6.055 1.00 0.00 N ATOM 549 CA GLY A 34 -2.057 -1.347 -7.017 1.00 0.00 C ATOM 550 C GLY A 34 -3.313 -0.819 -6.352 1.00 0.00 C ATOM 551 O GLY A 34 -4.422 -1.244 -6.678 1.00 0.00 O ATOM 0 H GLY A 34 -1.025 -1.165 -5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.656 -0.586 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.310 -2.211 -7.632 1.00 0.00 H new ATOM 555 N SER A 35 -3.141 0.109 -5.417 1.00 0.00 N ATOM 556 CA SER A 35 -4.270 0.692 -4.701 1.00 0.00 C ATOM 557 C SER A 35 -5.177 1.465 -5.653 1.00 0.00 C ATOM 558 O SER A 35 -4.792 1.773 -6.781 1.00 0.00 O ATOM 559 CB SER A 35 -3.773 1.617 -3.588 1.00 0.00 C ATOM 560 OG SER A 35 -3.357 0.874 -2.455 1.00 0.00 O ATOM 0 H SER A 35 -2.231 0.474 -5.137 1.00 0.00 H new ATOM 0 HA SER A 35 -4.846 -0.121 -4.258 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.943 2.220 -3.956 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.567 2.307 -3.303 1.00 0.00 H new ATOM 0 HG SER A 35 -3.904 1.124 -1.681 1.00 0.00 H new ATOM 566 N SER A 36 -6.383 1.775 -5.190 1.00 0.00 N ATOM 567 CA SER A 36 -7.348 2.509 -6.001 1.00 0.00 C ATOM 568 C SER A 36 -7.576 3.909 -5.439 1.00 0.00 C ATOM 569 O SER A 36 -8.682 4.444 -5.507 1.00 0.00 O ATOM 570 CB SER A 36 -8.675 1.750 -6.065 1.00 0.00 C ATOM 571 OG SER A 36 -9.522 2.286 -7.067 1.00 0.00 O ATOM 0 H SER A 36 -6.716 1.530 -4.258 1.00 0.00 H new ATOM 0 HA SER A 36 -6.943 2.602 -7.008 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.485 0.696 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.174 1.801 -5.097 1.00 0.00 H new ATOM 0 HG SER A 36 -9.630 3.249 -6.923 1.00 0.00 H new ATOM 577 N GLY A 37 -6.521 4.497 -4.885 1.00 0.00 N ATOM 578 CA GLY A 37 -6.625 5.829 -4.319 1.00 0.00 C ATOM 579 C GLY A 37 -5.841 5.975 -3.030 1.00 0.00 C ATOM 580 O GLY A 37 -4.617 6.102 -3.052 1.00 0.00 O ATOM 0 H GLY A 37 -5.595 4.074 -4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.264 6.558 -5.045 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.674 6.059 -4.131 1.00 0.00 H new ATOM 584 N SER A 38 -6.547 5.958 -1.904 1.00 0.00 N ATOM 585 CA SER A 38 -5.910 6.095 -0.600 1.00 0.00 C ATOM 586 C SER A 38 -5.984 4.787 0.182 1.00 0.00 C ATOM 587 O SER A 38 -6.553 3.802 -0.288 1.00 0.00 O ATOM 588 CB SER A 38 -6.572 7.219 0.200 1.00 0.00 C ATOM 589 OG SER A 38 -6.124 8.490 -0.239 1.00 0.00 O ATOM 0 H SER A 38 -7.561 5.851 -1.869 1.00 0.00 H new ATOM 0 HA SER A 38 -4.861 6.343 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.655 7.155 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.347 7.097 1.260 1.00 0.00 H new ATOM 0 HG SER A 38 -6.563 9.191 0.287 1.00 0.00 H new ATOM 595 N SER A 39 -5.405 4.786 1.378 1.00 0.00 N ATOM 596 CA SER A 39 -5.402 3.599 2.225 1.00 0.00 C ATOM 597 C SER A 39 -6.826 3.188 2.589 1.00 0.00 C ATOM 598 O SER A 39 -7.091 2.024 2.887 1.00 0.00 O ATOM 599 CB SER A 39 -4.592 3.856 3.497 1.00 0.00 C ATOM 600 OG SER A 39 -3.207 3.662 3.267 1.00 0.00 O ATOM 0 H SER A 39 -4.932 5.594 1.783 1.00 0.00 H new ATOM 0 HA SER A 39 -4.939 2.785 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.767 4.874 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.930 3.187 4.288 1.00 0.00 H new ATOM 0 HG SER A 39 -2.711 3.834 4.094 1.00 0.00 H new ATOM 606 N GLY A 40 -7.739 4.154 2.562 1.00 0.00 N ATOM 607 CA GLY A 40 -9.125 3.874 2.892 1.00 0.00 C ATOM 608 C GLY A 40 -9.791 2.969 1.874 1.00 0.00 C ATOM 609 O GLY A 40 -10.202 1.855 2.199 1.00 0.00 O ATOM 0 H GLY A 40 -7.544 5.125 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.174 3.407 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.677 4.812 2.956 1.00 0.00 H new ATOM 613 N ASP A 41 -9.900 3.448 0.640 1.00 0.00 N ATOM 614 CA ASP A 41 -10.522 2.675 -0.428 1.00 0.00 C ATOM 615 C ASP A 41 -10.132 1.204 -0.332 1.00 0.00 C ATOM 616 O ASP A 41 -10.973 0.318 -0.481 1.00 0.00 O ATOM 617 CB ASP A 41 -10.118 3.235 -1.793 1.00 0.00 C ATOM 618 CG ASP A 41 -10.827 4.535 -2.119 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.321 5.604 -1.719 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.888 4.483 -2.775 1.00 0.00 O ATOM 0 H ASP A 41 -9.566 4.368 0.355 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.604 2.753 -0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.040 3.398 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.342 2.499 -2.565 1.00 0.00 H new ATOM 625 N MET A 42 -8.851 0.951 -0.083 1.00 0.00 N ATOM 626 CA MET A 42 -8.350 -0.413 0.032 1.00 0.00 C ATOM 627 C MET A 42 -9.320 -1.283 0.825 1.00 0.00 C ATOM 628 O MET A 42 -9.940 -2.195 0.277 1.00 0.00 O ATOM 629 CB MET A 42 -6.976 -0.419 0.705 1.00 0.00 C ATOM 630 CG MET A 42 -5.819 -0.318 -0.276 1.00 0.00 C ATOM 631 SD MET A 42 -5.227 -1.932 -0.821 1.00 0.00 S ATOM 632 CE MET A 42 -5.693 -1.898 -2.550 1.00 0.00 C ATOM 0 H MET A 42 -8.142 1.673 0.043 1.00 0.00 H new ATOM 0 HA MET A 42 -8.257 -0.825 -0.973 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.920 0.413 1.407 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.869 -1.334 1.287 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.133 0.261 -1.144 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.998 0.227 0.191 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.711 -2.915 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.683 -1.453 -2.651 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.970 -1.306 -3.110 1.00 0.00 H new ATOM 642 N MET A 43 -9.447 -0.996 2.116 1.00 0.00 N ATOM 643 CA MET A 43 -10.343 -1.752 2.982 1.00 0.00 C ATOM 644 C MET A 43 -11.695 -1.970 2.309 1.00 0.00 C ATOM 645 O MET A 43 -12.232 -3.078 2.319 1.00 0.00 O ATOM 646 CB MET A 43 -10.535 -1.024 4.314 1.00 0.00 C ATOM 647 CG MET A 43 -9.232 -0.736 5.042 1.00 0.00 C ATOM 648 SD MET A 43 -8.426 -2.234 5.642 1.00 0.00 S ATOM 649 CE MET A 43 -9.225 -2.435 7.232 1.00 0.00 C ATOM 0 H MET A 43 -8.941 -0.245 2.585 1.00 0.00 H new ATOM 0 HA MET A 43 -9.890 -2.725 3.170 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.056 -0.084 4.133 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.177 -1.625 4.958 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.555 -0.207 4.371 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.430 -0.072 5.884 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.897 -3.369 7.688 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.958 -1.601 7.881 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.306 -2.457 7.096 1.00 0.00 H new ATOM 659 N ARG A 44 -12.239 -0.907 1.726 1.00 0.00 N ATOM 660 CA ARG A 44 -13.528 -0.982 1.050 1.00 0.00 C ATOM 661 C ARG A 44 -13.491 -2.009 -0.078 1.00 0.00 C ATOM 662 O ARG A 44 -14.195 -3.017 -0.035 1.00 0.00 O ATOM 663 CB ARG A 44 -13.917 0.389 0.494 1.00 0.00 C ATOM 664 CG ARG A 44 -14.574 1.298 1.520 1.00 0.00 C ATOM 665 CD ARG A 44 -13.544 1.937 2.438 1.00 0.00 C ATOM 666 NE ARG A 44 -13.974 3.250 2.913 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.452 3.854 3.975 1.00 0.00 C ATOM 668 NH1 ARG A 44 -12.486 3.268 4.667 1.00 0.00 N ATOM 669 NH2 ARG A 44 -13.897 5.049 4.345 1.00 0.00 N ATOM 0 H ARG A 44 -11.807 0.017 1.708 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.275 -1.296 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.025 0.880 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.598 0.251 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.140 2.077 1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.286 0.724 2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.364 1.284 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.597 2.036 1.907 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.715 3.729 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.141 2.351 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.087 3.734 5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.640 5.503 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.496 5.512 5.160 1.00 0.00 H new ATOM 683 N GLU A 45 -12.666 -1.744 -1.086 1.00 0.00 N ATOM 684 CA GLU A 45 -12.539 -2.644 -2.226 1.00 0.00 C ATOM 685 C GLU A 45 -12.304 -4.079 -1.762 1.00 0.00 C ATOM 686 O GLU A 45 -13.061 -4.986 -2.109 1.00 0.00 O ATOM 687 CB GLU A 45 -11.392 -2.196 -3.133 1.00 0.00 C ATOM 688 CG GLU A 45 -11.561 -2.619 -4.582 1.00 0.00 C ATOM 689 CD GLU A 45 -12.718 -1.916 -5.265 1.00 0.00 C ATOM 690 OE1 GLU A 45 -12.627 -0.688 -5.473 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.714 -2.595 -5.591 1.00 0.00 O ATOM 0 H GLU A 45 -12.076 -0.914 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.472 -2.610 -2.789 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.307 -1.110 -3.088 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.457 -2.605 -2.751 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.641 -2.409 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.719 -3.697 -4.626 1.00 0.00 H new ATOM 698 N ILE A 46 -11.251 -4.275 -0.976 1.00 0.00 N ATOM 699 CA ILE A 46 -10.916 -5.599 -0.465 1.00 0.00 C ATOM 700 C ILE A 46 -12.168 -6.352 -0.028 1.00 0.00 C ATOM 701 O ILE A 46 -12.481 -7.417 -0.559 1.00 0.00 O ATOM 702 CB ILE A 46 -9.942 -5.513 0.724 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.650 -4.808 0.304 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.641 -6.903 1.264 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.872 -4.229 1.464 1.00 0.00 C ATOM 0 H ILE A 46 -10.615 -3.535 -0.679 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.435 -6.140 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.411 -4.930 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.017 -5.516 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.893 -4.008 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.951 -6.825 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.567 -7.372 1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.189 -7.509 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.969 -3.745 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.488 -3.496 1.985 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.597 -5.028 2.153 1.00 0.00 H new ATOM 717 N ARG A 47 -12.882 -5.790 0.942 1.00 0.00 N ATOM 718 CA ARG A 47 -14.101 -6.408 1.450 1.00 0.00 C ATOM 719 C ARG A 47 -14.924 -7.002 0.312 1.00 0.00 C ATOM 720 O ARG A 47 -15.336 -8.161 0.367 1.00 0.00 O ATOM 721 CB ARG A 47 -14.937 -5.381 2.217 1.00 0.00 C ATOM 722 CG ARG A 47 -14.401 -5.075 3.606 1.00 0.00 C ATOM 723 CD ARG A 47 -15.307 -4.107 4.352 1.00 0.00 C ATOM 724 NE ARG A 47 -15.018 -4.080 5.783 1.00 0.00 N ATOM 725 CZ ARG A 47 -15.721 -3.373 6.661 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.749 -2.640 6.256 1.00 0.00 N ATOM 727 NH2 ARG A 47 -15.397 -3.399 7.947 1.00 0.00 N ATOM 0 H ARG A 47 -12.637 -4.908 1.392 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.816 -7.213 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.979 -4.456 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.959 -5.749 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.310 -6.001 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.400 -4.650 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.186 -3.106 3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -16.348 -4.392 4.198 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.234 -4.634 6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.002 -2.618 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.287 -2.098 6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.607 -3.962 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -15.937 -2.856 8.620 1.00 0.00 H new ATOM 741 N LYS A 48 -15.162 -6.200 -0.721 1.00 0.00 N ATOM 742 CA LYS A 48 -15.936 -6.645 -1.874 1.00 0.00 C ATOM 743 C LYS A 48 -15.319 -7.895 -2.493 1.00 0.00 C ATOM 744 O LYS A 48 -16.020 -8.861 -2.795 1.00 0.00 O ATOM 745 CB LYS A 48 -16.017 -5.531 -2.920 1.00 0.00 C ATOM 746 CG LYS A 48 -16.568 -5.993 -4.258 1.00 0.00 C ATOM 747 CD LYS A 48 -16.074 -5.117 -5.397 1.00 0.00 C ATOM 748 CE LYS A 48 -15.905 -5.915 -6.681 1.00 0.00 C ATOM 749 NZ LYS A 48 -16.104 -5.069 -7.890 1.00 0.00 N ATOM 0 H LYS A 48 -14.830 -5.238 -0.783 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.942 -6.889 -1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -16.645 -4.728 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.022 -5.113 -3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.271 -7.026 -4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.657 -5.975 -4.230 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.779 -4.303 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.122 -4.663 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.908 -6.356 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.618 -6.739 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.980 -5.649 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.064 -4.669 -7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.407 -4.297 -7.892 1.00 0.00 H new ATOM 763 N VAL A 49 -14.003 -7.870 -2.679 1.00 0.00 N ATOM 764 CA VAL A 49 -13.291 -9.002 -3.260 1.00 0.00 C ATOM 765 C VAL A 49 -13.557 -10.281 -2.474 1.00 0.00 C ATOM 766 O VAL A 49 -14.031 -11.275 -3.026 1.00 0.00 O ATOM 767 CB VAL A 49 -11.773 -8.747 -3.306 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.083 -9.787 -4.176 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.484 -7.341 -3.811 1.00 0.00 C ATOM 0 H VAL A 49 -13.408 -7.078 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.663 -9.121 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.377 -8.834 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.011 -9.591 -4.197 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.262 -10.781 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.481 -9.735 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.407 -7.178 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.893 -7.224 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.945 -6.613 -3.144 1.00 0.00 H new ATOM 779 N LEU A 50 -13.251 -10.249 -1.182 1.00 0.00 N ATOM 780 CA LEU A 50 -13.457 -11.405 -0.317 1.00 0.00 C ATOM 781 C LEU A 50 -14.865 -11.967 -0.486 1.00 0.00 C ATOM 782 O LEU A 50 -15.043 -13.153 -0.758 1.00 0.00 O ATOM 783 CB LEU A 50 -13.220 -11.023 1.145 1.00 0.00 C ATOM 784 CG LEU A 50 -11.951 -10.221 1.431 1.00 0.00 C ATOM 785 CD1 LEU A 50 -11.854 -9.885 2.911 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.719 -10.990 0.976 1.00 0.00 C ATOM 0 H LEU A 50 -12.859 -9.434 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.741 -12.175 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.077 -10.446 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.190 -11.937 1.738 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.000 -9.288 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.944 -9.314 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.720 -9.293 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.828 -10.807 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.825 -10.403 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.665 -11.939 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.783 -11.179 -0.096 1.00 0.00 H new ATOM 798 N GLY A 51 -15.864 -11.105 -0.325 1.00 0.00 N ATOM 799 CA GLY A 51 -17.244 -11.533 -0.466 1.00 0.00 C ATOM 800 C GLY A 51 -17.516 -12.180 -1.809 1.00 0.00 C ATOM 801 O GLY A 51 -18.314 -13.112 -1.906 1.00 0.00 O ATOM 0 H GLY A 51 -15.743 -10.118 -0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.485 -12.238 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.902 -10.673 -0.340 1.00 0.00 H new ATOM 805 N ALA A 52 -16.853 -11.683 -2.848 1.00 0.00 N ATOM 806 CA ALA A 52 -17.027 -12.219 -4.193 1.00 0.00 C ATOM 807 C ALA A 52 -16.606 -13.683 -4.259 1.00 0.00 C ATOM 808 O ALA A 52 -17.271 -14.502 -4.892 1.00 0.00 O ATOM 809 CB ALA A 52 -16.236 -11.395 -5.197 1.00 0.00 C ATOM 0 H ALA A 52 -16.190 -10.910 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.086 -12.160 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.376 -11.807 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.587 -10.363 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.178 -11.423 -4.938 1.00 0.00 H new ATOM 815 N ASN A 53 -15.497 -14.006 -3.601 1.00 0.00 N ATOM 816 CA ASN A 53 -14.987 -15.372 -3.587 1.00 0.00 C ATOM 817 C ASN A 53 -15.528 -16.142 -2.387 1.00 0.00 C ATOM 818 O ASN A 53 -14.836 -16.979 -1.810 1.00 0.00 O ATOM 819 CB ASN A 53 -13.457 -15.366 -3.555 1.00 0.00 C ATOM 820 CG ASN A 53 -12.851 -15.211 -4.937 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.424 -16.187 -5.553 1.00 0.00 O ATOM 822 ND2 ASN A 53 -12.809 -13.978 -5.429 1.00 0.00 N ATOM 0 H ASN A 53 -14.935 -13.340 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.324 -15.869 -4.497 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.113 -14.552 -2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.102 -16.294 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.411 -13.811 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.175 -13.198 -4.883 1.00 0.00 H new ATOM 829 N ASN A 54 -16.772 -15.853 -2.017 1.00 0.00 N ATOM 830 CA ASN A 54 -17.408 -16.519 -0.886 1.00 0.00 C ATOM 831 C ASN A 54 -16.462 -16.581 0.310 1.00 0.00 C ATOM 832 O ASN A 54 -16.339 -17.618 0.963 1.00 0.00 O ATOM 833 CB ASN A 54 -17.845 -17.931 -1.279 1.00 0.00 C ATOM 834 CG ASN A 54 -18.936 -17.927 -2.332 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.657 -17.927 -3.531 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.188 -17.922 -1.887 1.00 0.00 N ATOM 0 H ASN A 54 -17.359 -15.162 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.287 -15.940 -0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.984 -18.484 -1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.201 -18.458 -0.394 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.964 -17.918 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.373 -17.922 -0.884 1.00 0.00 H new ATOM 843 N CYS A 55 -15.798 -15.466 0.590 1.00 0.00 N ATOM 844 CA CYS A 55 -14.863 -15.393 1.707 1.00 0.00 C ATOM 845 C CYS A 55 -15.408 -14.499 2.816 1.00 0.00 C ATOM 846 O CYS A 55 -16.257 -13.640 2.573 1.00 0.00 O ATOM 847 CB CYS A 55 -13.508 -14.867 1.232 1.00 0.00 C ATOM 848 SG CYS A 55 -12.667 -15.951 0.053 1.00 0.00 S ATOM 0 H CYS A 55 -15.889 -14.600 0.059 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.735 -16.399 2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.651 -13.889 0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.863 -14.721 2.098 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.519 -16.370 -0.835 1.00 0.00 H new ATOM 854 N ASP A 56 -14.917 -14.708 4.032 1.00 0.00 N ATOM 855 CA ASP A 56 -15.356 -13.921 5.179 1.00 0.00 C ATOM 856 C ASP A 56 -14.237 -13.010 5.673 1.00 0.00 C ATOM 857 O ASP A 56 -13.057 -13.283 5.452 1.00 0.00 O ATOM 858 CB ASP A 56 -15.818 -14.842 6.310 1.00 0.00 C ATOM 859 CG ASP A 56 -16.390 -14.073 7.485 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.590 -13.730 7.440 1.00 0.00 O ATOM 861 OD2 ASP A 56 -15.639 -13.815 8.448 1.00 0.00 O ATOM 0 H ASP A 56 -14.215 -15.415 4.249 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.193 -13.299 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.572 -15.531 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.977 -15.446 6.650 1.00 0.00 H new ATOM 866 N TYR A 57 -14.615 -11.926 6.343 1.00 0.00 N ATOM 867 CA TYR A 57 -13.643 -10.973 6.865 1.00 0.00 C ATOM 868 C TYR A 57 -14.079 -10.443 8.228 1.00 0.00 C ATOM 869 O TYR A 57 -15.262 -10.198 8.461 1.00 0.00 O ATOM 870 CB TYR A 57 -13.461 -9.811 5.888 1.00 0.00 C ATOM 871 CG TYR A 57 -14.753 -9.342 5.257 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.367 -10.079 4.253 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.361 -8.161 5.668 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.547 -9.654 3.674 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.542 -7.729 5.096 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.131 -8.478 4.099 1.00 0.00 C ATOM 877 OH TYR A 57 -18.307 -8.052 3.525 1.00 0.00 O ATOM 0 H TYR A 57 -15.587 -11.686 6.537 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.691 -11.491 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.998 -8.975 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.771 -10.114 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.914 -11.001 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.902 -7.571 6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.010 -10.239 2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -17.002 -6.810 5.428 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.586 -7.208 3.938 1.00 0.00 H new ATOM 887 N GLU A 58 -13.113 -10.268 9.124 1.00 0.00 N ATOM 888 CA GLU A 58 -13.396 -9.767 10.464 1.00 0.00 C ATOM 889 C GLU A 58 -12.495 -8.584 10.804 1.00 0.00 C ATOM 890 O GLU A 58 -11.314 -8.756 11.103 1.00 0.00 O ATOM 891 CB GLU A 58 -13.208 -10.879 11.498 1.00 0.00 C ATOM 892 CG GLU A 58 -13.440 -10.424 12.929 1.00 0.00 C ATOM 893 CD GLU A 58 -14.900 -10.494 13.334 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.628 -11.345 12.780 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.314 -9.699 14.203 1.00 0.00 O ATOM 0 H GLU A 58 -12.128 -10.466 8.947 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.432 -9.430 10.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.893 -11.696 11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.197 -11.277 11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.850 -11.044 13.604 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.084 -9.400 13.043 1.00 0.00 H new ATOM 902 N GLN A 59 -13.062 -7.383 10.755 1.00 0.00 N ATOM 903 CA GLN A 59 -12.310 -6.170 11.056 1.00 0.00 C ATOM 904 C GLN A 59 -11.883 -6.144 12.520 1.00 0.00 C ATOM 905 O GLN A 59 -12.721 -6.082 13.420 1.00 0.00 O ATOM 906 CB GLN A 59 -13.148 -4.932 10.735 1.00 0.00 C ATOM 907 CG GLN A 59 -12.320 -3.728 10.316 1.00 0.00 C ATOM 908 CD GLN A 59 -12.971 -2.412 10.692 1.00 0.00 C ATOM 909 OE1 GLN A 59 -14.196 -2.303 10.740 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.151 -1.402 10.962 1.00 0.00 N ATOM 0 H GLN A 59 -14.039 -7.224 10.510 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.414 -6.164 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.849 -5.175 9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.741 -4.668 11.611 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.336 -3.788 10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.164 -3.757 9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.141 -1.537 10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.531 -0.492 11.221 1.00 0.00 H new ATOM 919 N ARG A 60 -10.575 -6.192 12.751 1.00 0.00 N ATOM 920 CA ARG A 60 -10.038 -6.176 14.106 1.00 0.00 C ATOM 921 C ARG A 60 -9.700 -4.752 14.539 1.00 0.00 C ATOM 922 O ARG A 60 -10.061 -4.325 15.636 1.00 0.00 O ATOM 923 CB ARG A 60 -8.790 -7.056 14.193 1.00 0.00 C ATOM 924 CG ARG A 60 -9.051 -8.517 13.864 1.00 0.00 C ATOM 925 CD ARG A 60 -9.799 -9.216 14.988 1.00 0.00 C ATOM 926 NE ARG A 60 -10.124 -10.600 14.652 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.844 -11.396 15.434 1.00 0.00 C ATOM 928 NH1 ARG A 60 -11.312 -10.949 16.591 1.00 0.00 N ATOM 929 NH2 ARG A 60 -11.098 -12.644 15.058 1.00 0.00 N ATOM 0 H ARG A 60 -9.868 -6.242 12.017 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.800 -6.571 14.777 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.034 -6.668 13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.377 -6.987 15.199 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.629 -8.586 12.943 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.104 -9.026 13.685 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.193 -9.196 15.894 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.717 -8.671 15.206 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.779 -10.975 13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.119 -9.991 16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.865 -11.563 17.189 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.740 -12.991 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.651 -13.255 15.659 1.00 0.00 H new ATOM 943 N GLU A 61 -9.005 -4.024 13.671 1.00 0.00 N ATOM 944 CA GLU A 61 -8.618 -2.649 13.966 1.00 0.00 C ATOM 945 C GLU A 61 -9.125 -1.697 12.886 1.00 0.00 C ATOM 946 O GLU A 61 -9.848 -2.103 11.975 1.00 0.00 O ATOM 947 CB GLU A 61 -7.097 -2.538 14.085 1.00 0.00 C ATOM 948 CG GLU A 61 -6.503 -3.441 15.154 1.00 0.00 C ATOM 949 CD GLU A 61 -6.423 -2.765 16.509 1.00 0.00 C ATOM 950 OE1 GLU A 61 -7.312 -1.942 16.814 1.00 0.00 O ATOM 951 OE2 GLU A 61 -5.473 -3.059 17.264 1.00 0.00 O ATOM 0 H GLU A 61 -8.699 -4.363 12.759 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.071 -2.367 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.647 -2.783 13.123 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.833 -1.504 14.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.107 -4.345 15.238 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.504 -3.752 14.848 1.00 0.00 H new ATOM 958 N ARG A 62 -8.741 -0.430 12.995 1.00 0.00 N ATOM 959 CA ARG A 62 -9.158 0.580 12.029 1.00 0.00 C ATOM 960 C ARG A 62 -8.692 0.213 10.623 1.00 0.00 C ATOM 961 O ARG A 62 -9.499 0.101 9.700 1.00 0.00 O ATOM 962 CB ARG A 62 -8.602 1.951 12.421 1.00 0.00 C ATOM 963 CG ARG A 62 -8.822 3.022 11.365 1.00 0.00 C ATOM 964 CD ARG A 62 -8.941 4.403 11.989 1.00 0.00 C ATOM 965 NE ARG A 62 -10.316 4.716 12.370 1.00 0.00 N ATOM 966 CZ ARG A 62 -10.638 5.646 13.261 1.00 0.00 C ATOM 967 NH1 ARG A 62 -9.689 6.352 13.860 1.00 0.00 N ATOM 968 NH2 ARG A 62 -11.913 5.873 13.554 1.00 0.00 N ATOM 0 H ARG A 62 -8.142 -0.078 13.742 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.247 0.622 12.032 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.069 2.270 13.353 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.533 1.858 12.615 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.994 3.012 10.657 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.727 2.797 10.800 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.300 4.460 12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.581 5.152 11.283 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.070 4.191 11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.709 6.181 13.637 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.939 7.066 14.544 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.646 5.333 13.094 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.160 6.588 14.239 1.00 0.00 H new ATOM 982 N PHE A 63 -7.385 0.028 10.468 1.00 0.00 N ATOM 983 CA PHE A 63 -6.811 -0.325 9.175 1.00 0.00 C ATOM 984 C PHE A 63 -6.360 -1.783 9.159 1.00 0.00 C ATOM 985 O PHE A 63 -5.246 -2.095 8.738 1.00 0.00 O ATOM 986 CB PHE A 63 -5.629 0.590 8.851 1.00 0.00 C ATOM 987 CG PHE A 63 -6.004 2.041 8.749 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.729 2.507 7.664 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.631 2.938 9.737 1.00 0.00 C ATOM 990 CE1 PHE A 63 -7.075 3.842 7.567 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.975 4.274 9.645 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.698 4.726 8.560 1.00 0.00 C ATOM 0 H PHE A 63 -6.704 0.117 11.222 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.582 -0.194 8.416 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.867 0.473 9.622 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.181 0.272 7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.027 1.820 6.886 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.065 2.590 10.588 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.639 4.194 6.716 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.678 4.963 10.422 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.969 5.769 8.487 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.233 -2.671 9.621 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.926 -4.096 9.662 1.00 0.00 C ATOM 1004 C LEU A 64 -8.169 -4.930 9.367 1.00 0.00 C ATOM 1005 O LEU A 64 -9.286 -4.545 9.719 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.356 -4.477 11.029 1.00 0.00 C ATOM 1007 CG LEU A 64 -6.014 -5.954 11.227 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.931 -6.386 10.251 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.577 -6.213 12.661 1.00 0.00 C ATOM 0 H LEU A 64 -8.159 -2.429 9.973 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.181 -4.303 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.454 -3.890 11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.076 -4.186 11.794 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.909 -6.544 11.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.700 -7.440 10.406 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.282 -6.238 9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.033 -5.790 10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.338 -7.269 12.783 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.696 -5.613 12.887 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.384 -5.943 13.342 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.969 -6.073 8.721 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.074 -6.963 8.381 1.00 0.00 C ATOM 1023 C LEU A 65 -8.602 -8.412 8.307 1.00 0.00 C ATOM 1024 O LEU A 65 -7.666 -8.735 7.577 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.696 -6.549 7.047 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.813 -5.507 7.122 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.984 -4.811 5.781 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.118 -6.154 7.559 1.00 0.00 C ATOM 0 H LEU A 65 -7.052 -6.406 8.422 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.827 -6.884 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.905 -6.159 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.091 -7.441 6.560 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.536 -4.758 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.783 -4.073 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.054 -4.313 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.238 -5.547 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.901 -5.397 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.401 -6.924 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.989 -6.605 8.543 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.260 -9.282 9.067 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.909 -10.697 9.087 1.00 0.00 C ATOM 1042 C PHE A 66 -9.518 -11.426 7.893 1.00 0.00 C ATOM 1043 O PHE A 66 -10.704 -11.758 7.894 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.384 -11.344 10.390 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.915 -12.760 10.562 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.610 -13.030 10.945 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.777 -13.822 10.342 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.176 -14.332 11.103 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.348 -15.127 10.500 1.00 0.00 C ATOM 1050 CZ PHE A 66 -8.046 -15.382 10.882 1.00 0.00 C ATOM 0 H PHE A 66 -10.039 -9.032 9.677 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.824 -10.777 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.031 -10.748 11.232 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.473 -11.324 10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.925 -12.214 11.122 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.797 -13.628 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.156 -14.529 11.399 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.030 -15.946 10.325 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.708 -16.400 11.008 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.699 -11.669 6.876 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.157 -12.357 5.673 1.00 0.00 C ATOM 1062 C CYS A 67 -9.128 -13.870 5.868 1.00 0.00 C ATOM 1063 O CYS A 67 -8.165 -14.419 6.402 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.289 -11.968 4.476 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.235 -10.190 4.150 1.00 0.00 S ATOM 0 H CYS A 67 -7.715 -11.400 6.860 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.186 -12.053 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.274 -12.326 4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.663 -12.478 3.588 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.654 -9.976 3.007 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.192 -14.537 5.432 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.289 -15.987 5.558 1.00 0.00 C ATOM 1073 C VAL A 68 -11.173 -16.576 4.464 1.00 0.00 C ATOM 1074 O VAL A 68 -12.264 -16.072 4.194 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.853 -16.394 6.933 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.232 -15.789 7.144 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.900 -17.909 7.061 1.00 0.00 C ATOM 0 H VAL A 68 -10.998 -14.097 4.989 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.278 -16.382 5.456 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.191 -16.007 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.615 -16.087 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.163 -14.702 7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.908 -16.143 6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.301 -18.179 8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.539 -18.320 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.894 -18.314 6.957 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.694 -17.646 3.837 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.442 -18.305 2.772 1.00 0.00 C ATOM 1089 C HIS A 69 -12.198 -19.517 3.309 1.00 0.00 C ATOM 1090 O HIS A 69 -11.596 -20.459 3.821 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.498 -18.735 1.649 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.140 -19.634 0.637 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.716 -20.924 0.400 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.183 -19.422 -0.199 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.469 -21.467 -0.540 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.368 -20.576 -0.920 1.00 0.00 N ATOM 0 H HIS A 69 -9.793 -18.075 4.048 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.166 -17.593 2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.119 -17.846 1.144 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.639 -19.246 2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -9.942 -21.387 0.876 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.762 -18.514 -0.283 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.367 -22.468 -0.931 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.522 -19.483 3.188 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.338 -20.584 3.666 1.00 0.00 C ATOM 1107 C GLY A 70 -15.170 -21.210 2.564 1.00 0.00 C ATOM 1108 O GLY A 70 -15.822 -20.506 1.793 1.00 0.00 O ATOM 0 H GLY A 70 -14.043 -18.713 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.694 -21.345 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.998 -20.227 4.457 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.146 -22.536 2.488 1.00 0.00 N ATOM 1113 CA ASP A 71 -15.903 -23.257 1.472 1.00 0.00 C ATOM 1114 C ASP A 71 -16.714 -24.387 2.099 1.00 0.00 C ATOM 1115 O ASP A 71 -17.825 -24.684 1.661 1.00 0.00 O ATOM 1116 CB ASP A 71 -14.961 -23.820 0.406 1.00 0.00 C ATOM 1117 CG ASP A 71 -15.688 -24.195 -0.870 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -16.494 -25.149 -0.834 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -15.452 -23.536 -1.904 1.00 0.00 O ATOM 0 H ASP A 71 -14.610 -23.133 3.118 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.592 -22.555 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.192 -23.082 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.452 -24.699 0.802 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.150 -25.015 3.126 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.834 -26.106 3.795 1.00 0.00 C ATOM 1126 C GLY A 72 -15.874 -27.140 4.349 1.00 0.00 C ATOM 1127 O GLY A 72 -16.205 -27.867 5.286 1.00 0.00 O ATOM 0 H GLY A 72 -15.231 -24.788 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.441 -25.706 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.516 -26.587 3.094 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.680 -27.208 3.768 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.668 -28.162 4.208 1.00 0.00 C ATOM 1133 C HIS A 73 -12.370 -27.448 4.571 1.00 0.00 C ATOM 1134 O HIS A 73 -11.746 -26.806 3.726 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.406 -29.199 3.116 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.561 -30.121 2.875 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.889 -29.872 2.788 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -14.415 -31.480 2.694 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -16.514 -31.073 2.557 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -15.603 -32.027 2.504 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.390 -26.614 2.991 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.043 -28.669 5.097 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -13.164 -28.683 2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.532 -29.789 3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.476 -32.014 2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -17.578 -31.214 2.438 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.785 -33.018 2.344 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.969 -27.563 5.833 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.745 -26.930 6.307 1.00 0.00 C ATOM 1151 C ALA A 74 -9.627 -27.058 5.277 1.00 0.00 C ATOM 1152 O ALA A 74 -8.826 -26.141 5.101 1.00 0.00 O ATOM 1153 CB ALA A 74 -10.315 -27.538 7.634 1.00 0.00 C ATOM 0 H ALA A 74 -12.475 -28.089 6.546 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.948 -25.869 6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.399 -27.055 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.101 -27.390 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.136 -28.605 7.504 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.579 -28.202 4.602 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.557 -28.449 3.591 1.00 0.00 C ATOM 1161 C GLU A 75 -8.389 -27.237 2.679 1.00 0.00 C ATOM 1162 O GLU A 75 -7.271 -26.818 2.386 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.919 -29.681 2.759 1.00 0.00 C ATOM 1164 CG GLU A 75 -9.038 -30.955 3.579 1.00 0.00 C ATOM 1165 CD GLU A 75 -7.690 -31.511 3.994 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -6.823 -30.716 4.413 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -7.501 -32.742 3.899 1.00 0.00 O ATOM 0 H GLU A 75 -10.235 -28.972 4.736 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.612 -28.630 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.864 -29.499 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.162 -29.824 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.634 -30.755 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.574 -31.707 2.999 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.511 -26.680 2.233 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.489 -25.518 1.353 1.00 0.00 C ATOM 1176 C ASN A 76 -9.503 -24.223 2.161 1.00 0.00 C ATOM 1177 O ASN A 76 -9.146 -23.159 1.655 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.686 -25.550 0.401 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.966 -25.972 1.096 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.444 -25.139 2.012 1.00 0.00 O flip ATOM 1181 ND2 ASN A 76 -12.519 -27.035 0.811 1.00 0.00 N flip ATOM 0 H ASN A 76 -10.446 -27.015 2.467 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.568 -25.553 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.823 -24.562 -0.039 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.477 -26.238 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.116 -27.645 0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.380 -27.305 1.286 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.916 -24.323 3.419 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.976 -23.161 4.299 1.00 0.00 C ATOM 1190 C LEU A 77 -8.584 -22.582 4.532 1.00 0.00 C ATOM 1191 O LEU A 77 -7.613 -23.321 4.697 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.613 -23.541 5.637 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.084 -22.378 6.511 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.519 -22.005 6.176 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.953 -22.732 7.985 1.00 0.00 C ATOM 0 H LEU A 77 -10.214 -25.197 3.853 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.589 -22.401 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.467 -24.189 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.892 -24.128 6.206 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.450 -21.515 6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.836 -21.176 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.583 -21.708 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.168 -22.863 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.293 -21.893 8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.562 -23.609 8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.910 -22.948 8.216 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.495 -21.256 4.548 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.223 -20.578 4.764 1.00 0.00 C ATOM 1209 C VAL A 78 -7.430 -19.218 5.423 1.00 0.00 C ATOM 1210 O VAL A 78 -8.254 -18.421 4.976 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.457 -20.384 3.441 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.178 -19.594 3.675 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.153 -21.730 2.800 1.00 0.00 C ATOM 0 H VAL A 78 -9.289 -20.630 4.414 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.634 -21.214 5.425 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.086 -19.815 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.651 -19.467 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.425 -18.616 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.541 -20.133 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.612 -21.575 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.543 -22.327 3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.086 -22.255 2.595 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.676 -18.961 6.486 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.777 -17.697 7.207 1.00 0.00 C ATOM 1225 C GLN A 79 -5.506 -16.872 7.039 1.00 0.00 C ATOM 1226 O GLN A 79 -4.396 -17.396 7.142 1.00 0.00 O ATOM 1227 CB GLN A 79 -7.042 -17.952 8.691 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.351 -18.677 8.960 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.343 -19.428 10.277 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.749 -18.978 11.257 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -9.004 -20.579 10.306 1.00 0.00 N ATOM 0 H GLN A 79 -5.988 -19.611 6.868 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.611 -17.134 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.220 -18.538 9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.049 -16.999 9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.168 -17.955 8.963 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.547 -19.377 8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.482 -20.914 9.470 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.034 -21.129 11.165 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.675 -15.580 6.782 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.540 -14.682 6.600 1.00 0.00 C ATOM 1242 C TRP A 80 -4.925 -13.244 6.928 1.00 0.00 C ATOM 1243 O TRP A 80 -5.954 -12.749 6.469 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.019 -14.769 5.164 1.00 0.00 C ATOM 1245 CG TRP A 80 -4.884 -14.049 4.175 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -4.721 -12.771 3.721 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.048 -14.564 3.518 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -5.713 -12.461 2.822 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.539 -13.544 2.680 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.721 -15.788 3.556 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.672 -13.713 1.889 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.846 -15.953 2.770 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.312 -14.921 1.945 1.00 0.00 C ATOM 0 H TRP A 80 -6.587 -15.131 6.695 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.751 -14.992 7.285 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.012 -14.354 5.125 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.944 -15.817 4.875 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.929 -12.102 4.024 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.817 -11.569 2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.369 -16.590 4.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.033 -12.918 1.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.375 -16.894 2.792 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.193 -15.082 1.342 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.093 -12.580 7.724 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.350 -11.198 8.113 1.00 0.00 C ATOM 1266 C GLU A 81 -3.862 -10.231 7.038 1.00 0.00 C ATOM 1267 O GLU A 81 -2.669 -10.159 6.748 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.665 -10.884 9.445 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.533 -11.173 10.658 1.00 0.00 C ATOM 1270 CD GLU A 81 -3.825 -10.876 11.966 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.592 -9.683 12.255 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -3.504 -11.834 12.699 1.00 0.00 O ATOM 0 H GLU A 81 -3.237 -12.976 8.112 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.427 -11.074 8.228 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.747 -11.467 9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.377 -9.833 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.444 -10.577 10.599 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.836 -12.220 10.642 1.00 0.00 H new ATOM 1279 N MET A 82 -4.796 -9.490 6.450 1.00 0.00 N ATOM 1280 CA MET A 82 -4.462 -8.526 5.407 1.00 0.00 C ATOM 1281 C MET A 82 -4.618 -7.097 5.917 1.00 0.00 C ATOM 1282 O MET A 82 -5.731 -6.584 6.020 1.00 0.00 O ATOM 1283 CB MET A 82 -5.350 -8.742 4.180 1.00 0.00 C ATOM 1284 CG MET A 82 -4.659 -8.419 2.865 1.00 0.00 C ATOM 1285 SD MET A 82 -4.908 -6.709 2.351 1.00 0.00 S ATOM 1286 CE MET A 82 -5.471 -6.941 0.666 1.00 0.00 C ATOM 0 H MET A 82 -5.789 -9.538 6.678 1.00 0.00 H new ATOM 0 HA MET A 82 -3.421 -8.680 5.125 1.00 0.00 H new ATOM 0 HB2 MET A 82 -5.683 -9.780 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.242 -8.123 4.274 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.591 -8.613 2.963 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.034 -9.086 2.089 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.447 -5.987 0.140 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.818 -7.652 0.159 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.491 -7.326 0.673 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.495 -6.461 6.235 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.509 -5.091 6.735 1.00 0.00 C ATOM 1298 C GLU A 83 -2.962 -4.124 5.689 1.00 0.00 C ATOM 1299 O GLU A 83 -2.143 -4.498 4.849 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.686 -4.986 8.021 1.00 0.00 C ATOM 1301 CG GLU A 83 -2.400 -3.556 8.445 1.00 0.00 C ATOM 1302 CD GLU A 83 -2.049 -3.442 9.916 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -2.982 -3.371 10.744 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -0.844 -3.424 10.239 1.00 0.00 O ATOM 0 H GLU A 83 -2.565 -6.872 6.155 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.543 -4.820 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.217 -5.495 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.741 -5.511 7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.578 -3.162 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.272 -2.937 8.235 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.423 -2.879 5.745 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.981 -1.857 4.803 1.00 0.00 C ATOM 1313 C VAL A 84 -1.926 -0.951 5.430 1.00 0.00 C ATOM 1314 O VAL A 84 -2.155 -0.349 6.479 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.160 -0.994 4.317 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.682 0.053 3.322 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.243 -1.868 3.704 1.00 0.00 C ATOM 0 H VAL A 84 -4.102 -2.553 6.433 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.547 -2.379 3.950 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.586 -0.476 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.529 0.653 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.945 0.699 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.229 -0.442 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.068 -1.241 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.832 -2.415 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.606 -2.575 4.450 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.772 -0.860 4.780 1.00 0.00 N ATOM 1328 CA CYS A 85 0.320 -0.027 5.274 1.00 0.00 C ATOM 1329 C CYS A 85 0.852 0.882 4.171 1.00 0.00 C ATOM 1330 O CYS A 85 0.369 0.851 3.038 1.00 0.00 O ATOM 1331 CB CYS A 85 1.449 -0.902 5.820 1.00 0.00 C ATOM 1332 SG CYS A 85 1.283 -1.313 7.572 1.00 0.00 S ATOM 0 H CYS A 85 -0.567 -1.352 3.910 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.067 0.598 6.079 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.489 -1.826 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.398 -0.389 5.667 1.00 0.00 H new ATOM 0 HG CYS A 85 2.284 -2.057 7.940 1.00 0.00 H new ATOM 1338 N LYS A 86 1.848 1.693 4.509 1.00 0.00 N ATOM 1339 CA LYS A 86 2.447 2.612 3.549 1.00 0.00 C ATOM 1340 C LYS A 86 3.965 2.461 3.524 1.00 0.00 C ATOM 1341 O LYS A 86 4.559 1.907 4.450 1.00 0.00 O ATOM 1342 CB LYS A 86 2.074 4.056 3.893 1.00 0.00 C ATOM 1343 CG LYS A 86 2.759 4.580 5.143 1.00 0.00 C ATOM 1344 CD LYS A 86 2.000 4.191 6.400 1.00 0.00 C ATOM 1345 CE LYS A 86 2.189 5.218 7.506 1.00 0.00 C ATOM 1346 NZ LYS A 86 1.445 6.477 7.226 1.00 0.00 N ATOM 0 H LYS A 86 2.258 1.733 5.442 1.00 0.00 H new ATOM 0 HA LYS A 86 2.059 2.368 2.560 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.331 4.699 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.994 4.122 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.775 4.187 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.839 5.666 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.939 4.094 6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.342 3.215 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.850 4.799 8.453 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.250 5.440 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.370 7.038 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.952 7.027 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.492 6.247 6.880 1.00 0.00 H new ATOM 1360 N LEU A 87 4.587 2.957 2.460 1.00 0.00 N ATOM 1361 CA LEU A 87 6.036 2.878 2.315 1.00 0.00 C ATOM 1362 C LEU A 87 6.616 4.226 1.897 1.00 0.00 C ATOM 1363 O LEU A 87 6.122 4.885 0.982 1.00 0.00 O ATOM 1364 CB LEU A 87 6.409 1.809 1.287 1.00 0.00 C ATOM 1365 CG LEU A 87 6.079 0.366 1.670 1.00 0.00 C ATOM 1366 CD1 LEU A 87 5.803 -0.466 0.427 1.00 0.00 C ATOM 1367 CD2 LEU A 87 7.214 -0.243 2.480 1.00 0.00 C ATOM 0 H LEU A 87 4.110 3.418 1.685 1.00 0.00 H new ATOM 0 HA LEU A 87 6.458 2.605 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.901 2.041 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.480 1.877 1.094 1.00 0.00 H new ATOM 0 HG LEU A 87 5.180 0.370 2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.570 -1.490 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.957 -0.042 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.683 -0.463 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.962 -1.270 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.129 -0.234 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.365 0.339 3.389 1.00 0.00 H new ATOM 1379 N PRO A 88 7.690 4.646 2.581 1.00 0.00 N ATOM 1380 CA PRO A 88 8.362 5.917 2.297 1.00 0.00 C ATOM 1381 C PRO A 88 9.098 5.898 0.961 1.00 0.00 C ATOM 1382 O PRO A 88 8.963 6.818 0.154 1.00 0.00 O ATOM 1383 CB PRO A 88 9.356 6.060 3.452 1.00 0.00 C ATOM 1384 CG PRO A 88 9.617 4.664 3.902 1.00 0.00 C ATOM 1385 CD PRO A 88 8.333 3.912 3.684 1.00 0.00 C ATOM 0 HA PRO A 88 7.655 6.743 2.221 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.274 6.549 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.942 6.665 4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.433 4.217 3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.910 4.641 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.517 2.871 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.712 3.909 4.580 1.00 0.00 H new ATOM 1393 N ARG A 89 9.876 4.845 0.734 1.00 0.00 N ATOM 1394 CA ARG A 89 10.633 4.707 -0.504 1.00 0.00 C ATOM 1395 C ARG A 89 9.706 4.402 -1.677 1.00 0.00 C ATOM 1396 O ARG A 89 9.671 5.140 -2.662 1.00 0.00 O ATOM 1397 CB ARG A 89 11.680 3.600 -0.366 1.00 0.00 C ATOM 1398 CG ARG A 89 13.019 4.090 0.159 1.00 0.00 C ATOM 1399 CD ARG A 89 13.952 2.931 0.475 1.00 0.00 C ATOM 1400 NE ARG A 89 14.340 2.198 -0.727 1.00 0.00 N ATOM 1401 CZ ARG A 89 15.419 1.426 -0.800 1.00 0.00 C ATOM 1402 NH1 ARG A 89 16.212 1.288 0.253 1.00 0.00 N ATOM 1403 NH2 ARG A 89 15.705 0.791 -1.930 1.00 0.00 N ATOM 0 H ARG A 89 9.999 4.075 1.391 1.00 0.00 H new ATOM 0 HA ARG A 89 11.138 5.653 -0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.296 2.830 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.830 3.131 -1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.484 4.742 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.862 4.688 1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.845 3.310 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.462 2.251 1.172 1.00 0.00 H new ATOM 0 HE ARG A 89 13.751 2.283 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.995 1.775 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.040 0.695 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 89 15.097 0.896 -2.742 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.533 0.198 -1.986 1.00 0.00 H new ATOM 1417 N LEU A 90 8.959 3.309 -1.565 1.00 0.00 N ATOM 1418 CA LEU A 90 8.031 2.906 -2.617 1.00 0.00 C ATOM 1419 C LEU A 90 7.039 4.022 -2.925 1.00 0.00 C ATOM 1420 O LEU A 90 6.485 4.088 -4.022 1.00 0.00 O ATOM 1421 CB LEU A 90 7.280 1.639 -2.202 1.00 0.00 C ATOM 1422 CG LEU A 90 7.956 0.313 -2.552 1.00 0.00 C ATOM 1423 CD1 LEU A 90 8.864 -0.138 -1.418 1.00 0.00 C ATOM 1424 CD2 LEU A 90 6.914 -0.752 -2.859 1.00 0.00 C ATOM 0 H LEU A 90 8.977 2.686 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 90 8.608 2.700 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.123 1.670 -1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.295 1.656 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 90 8.567 0.462 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.337 -1.083 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.632 0.616 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.275 -0.270 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.413 -1.689 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.277 -0.899 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.305 -0.432 -3.704 1.00 0.00 H new ATOM 1436 N SER A 91 6.820 4.899 -1.951 1.00 0.00 N ATOM 1437 CA SER A 91 5.893 6.012 -2.117 1.00 0.00 C ATOM 1438 C SER A 91 4.533 5.518 -2.599 1.00 0.00 C ATOM 1439 O SER A 91 3.881 6.162 -3.423 1.00 0.00 O ATOM 1440 CB SER A 91 6.459 7.030 -3.109 1.00 0.00 C ATOM 1441 OG SER A 91 7.649 7.618 -2.613 1.00 0.00 O ATOM 0 H SER A 91 7.272 4.860 -1.038 1.00 0.00 H new ATOM 0 HA SER A 91 5.763 6.493 -1.148 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.661 6.540 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.718 7.806 -3.300 1.00 0.00 H new ATOM 0 HG SER A 91 7.880 7.212 -1.752 1.00 0.00 H new ATOM 1447 N LEU A 92 4.109 4.371 -2.080 1.00 0.00 N ATOM 1448 CA LEU A 92 2.826 3.788 -2.456 1.00 0.00 C ATOM 1449 C LEU A 92 2.295 2.880 -1.351 1.00 0.00 C ATOM 1450 O LEU A 92 2.981 2.623 -0.363 1.00 0.00 O ATOM 1451 CB LEU A 92 2.964 2.999 -3.759 1.00 0.00 C ATOM 1452 CG LEU A 92 2.710 3.781 -5.048 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.980 2.908 -6.264 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.284 4.312 -5.077 1.00 0.00 C ATOM 0 H LEU A 92 4.635 3.826 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 92 2.115 4.601 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.970 2.582 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.272 2.158 -3.726 1.00 0.00 H new ATOM 0 HG LEU A 92 3.394 4.630 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.794 3.481 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.018 2.576 -6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.322 2.040 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.121 4.866 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.584 3.478 -5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.124 4.973 -4.225 1.00 0.00 H new ATOM 1466 N ASN A 93 1.070 2.397 -1.527 1.00 0.00 N ATOM 1467 CA ASN A 93 0.447 1.516 -0.546 1.00 0.00 C ATOM 1468 C ASN A 93 1.166 0.171 -0.490 1.00 0.00 C ATOM 1469 O ASN A 93 1.626 -0.342 -1.509 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.030 1.304 -0.883 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.871 2.533 -0.594 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.582 3.031 -1.467 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -1.792 3.027 0.636 1.00 0.00 N ATOM 0 H ASN A 93 0.489 2.601 -2.340 1.00 0.00 H new ATOM 0 HA ASN A 93 0.524 1.991 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.125 1.041 -1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.414 0.461 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.334 3.853 0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.189 2.581 1.327 1.00 0.00 H new ATOM 1480 N GLY A 94 1.257 -0.396 0.710 1.00 0.00 N ATOM 1481 CA GLY A 94 1.920 -1.676 0.877 1.00 0.00 C ATOM 1482 C GLY A 94 0.985 -2.749 1.398 1.00 0.00 C ATOM 1483 O GLY A 94 0.632 -2.756 2.578 1.00 0.00 O ATOM 0 H GLY A 94 0.883 0.008 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.336 -1.994 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.757 -1.561 1.566 1.00 0.00 H new ATOM 1487 N VAL A 95 0.580 -3.659 0.517 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.320 -4.741 0.895 1.00 0.00 C ATOM 1489 C VAL A 95 0.449 -6.033 1.149 1.00 0.00 C ATOM 1490 O VAL A 95 1.051 -6.598 0.236 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.382 -4.994 -0.193 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.379 -6.045 0.268 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.090 -3.698 -0.556 1.00 0.00 C ATOM 0 H VAL A 95 0.861 -3.668 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.818 -4.432 1.814 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.881 -5.370 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.121 -6.210 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.855 -6.978 0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.877 -5.701 1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.837 -3.894 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.579 -3.291 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.362 -2.979 -0.932 1.00 0.00 H new ATOM 1503 N ARG A 96 0.424 -6.495 2.394 1.00 0.00 N ATOM 1504 CA ARG A 96 1.120 -7.720 2.769 1.00 0.00 C ATOM 1505 C ARG A 96 0.128 -8.804 3.181 1.00 0.00 C ATOM 1506 O ARG A 96 -0.933 -8.512 3.732 1.00 0.00 O ATOM 1507 CB ARG A 96 2.098 -7.447 3.913 1.00 0.00 C ATOM 1508 CG ARG A 96 3.469 -6.987 3.445 1.00 0.00 C ATOM 1509 CD ARG A 96 4.335 -6.539 4.612 1.00 0.00 C ATOM 1510 NE ARG A 96 4.121 -5.133 4.944 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.469 -4.592 6.106 1.00 0.00 C ATOM 1512 NH1 ARG A 96 5.044 -5.334 7.042 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.241 -3.305 6.334 1.00 0.00 N ATOM 0 H ARG A 96 -0.071 -6.040 3.161 1.00 0.00 H new ATOM 0 HA ARG A 96 1.677 -8.072 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.674 -6.687 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.211 -8.354 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.965 -7.799 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.356 -6.165 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.115 -7.155 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.385 -6.698 4.366 1.00 0.00 H new ATOM 0 HE ARG A 96 3.680 -4.534 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.221 -6.324 6.871 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.310 -4.915 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.798 -2.731 5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.508 -2.890 7.227 1.00 0.00 H new ATOM 1527 N PHE A 97 0.482 -10.056 2.910 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.377 -11.184 3.251 1.00 0.00 C ATOM 1529 C PHE A 97 0.278 -12.066 4.309 1.00 0.00 C ATOM 1530 O PHE A 97 1.263 -12.754 4.039 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.688 -12.012 2.002 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.767 -11.418 1.143 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.659 -10.119 0.671 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.889 -12.158 0.806 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.650 -9.570 -0.121 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.883 -11.614 0.015 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.764 -10.318 -0.448 1.00 0.00 C ATOM 0 H PHE A 97 1.358 -10.315 2.455 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.308 -10.789 3.658 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.221 -12.116 1.409 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.987 -13.015 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.791 -9.529 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.988 -13.172 1.166 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.553 -8.557 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.752 -12.202 -0.241 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.541 -9.890 -1.065 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.275 -12.041 5.517 1.00 0.00 N ATOM 1548 CA LYS A 98 0.253 -12.838 6.618 1.00 0.00 C ATOM 1549 C LYS A 98 -0.514 -14.149 6.757 1.00 0.00 C ATOM 1550 O LYS A 98 -1.737 -14.152 6.894 1.00 0.00 O ATOM 1551 CB LYS A 98 0.178 -12.049 7.927 1.00 0.00 C ATOM 1552 CG LYS A 98 0.490 -12.883 9.158 1.00 0.00 C ATOM 1553 CD LYS A 98 1.962 -13.255 9.221 1.00 0.00 C ATOM 1554 CE LYS A 98 2.203 -14.416 10.175 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.458 -13.948 11.565 1.00 0.00 N ATOM 0 H LYS A 98 -1.090 -11.477 5.758 1.00 0.00 H new ATOM 0 HA LYS A 98 1.296 -13.069 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.876 -11.213 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.821 -11.625 8.029 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.216 -12.327 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.115 -13.789 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.314 -13.522 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.543 -12.391 9.543 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.337 -15.078 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.054 -15.001 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.617 -14.769 12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.299 -13.337 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.636 -13.411 11.907 1.00 0.00 H new ATOM 1569 N ARG A 99 0.213 -15.261 6.723 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.399 -16.579 6.846 1.00 0.00 C ATOM 1571 C ARG A 99 -0.600 -16.950 8.312 1.00 0.00 C ATOM 1572 O ARG A 99 0.291 -16.755 9.140 1.00 0.00 O ATOM 1573 CB ARG A 99 0.468 -17.634 6.156 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.163 -19.016 6.127 1.00 0.00 C ATOM 1575 CD ARG A 99 0.383 -19.854 4.982 1.00 0.00 C ATOM 1576 NE ARG A 99 1.579 -20.598 5.369 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.805 -20.089 5.331 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.996 -18.841 4.925 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.843 -20.828 5.699 1.00 0.00 N ATOM 0 H ARG A 99 1.227 -15.276 6.611 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.374 -16.546 6.360 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.670 -17.314 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.429 -17.693 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.026 -19.523 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.244 -18.921 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.384 -20.551 4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.617 -19.205 4.138 1.00 0.00 H new ATOM 0 HE ARG A 99 1.466 -21.561 5.686 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.200 -18.270 4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.939 -18.453 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.700 -21.788 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.784 -20.436 5.669 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.775 -17.485 8.626 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.093 -17.883 9.992 1.00 0.00 C ATOM 1595 C ILE A 100 -2.417 -19.371 10.069 1.00 0.00 C ATOM 1596 O ILE A 100 -1.910 -20.083 10.935 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.282 -17.080 10.550 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -2.879 -15.623 10.782 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.785 -17.708 11.842 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.137 -14.728 9.590 1.00 0.00 C ATOM 0 H ILE A 100 -2.523 -17.653 7.953 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.210 -17.674 10.596 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.090 -17.101 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.425 -15.236 11.642 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.819 -15.583 11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.626 -17.129 12.225 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.107 -18.731 11.648 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.983 -17.714 12.580 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.828 -13.710 9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.569 -15.091 8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.200 -14.738 9.351 1.00 0.00 H new ATOM 1612 N SER A 101 -3.263 -19.835 9.155 1.00 0.00 N ATOM 1613 CA SER A 101 -3.657 -21.238 9.120 1.00 0.00 C ATOM 1614 C SER A 101 -4.025 -21.664 7.702 1.00 0.00 C ATOM 1615 O SER A 101 -4.169 -20.831 6.808 1.00 0.00 O ATOM 1616 CB SER A 101 -4.839 -21.482 10.060 1.00 0.00 C ATOM 1617 OG SER A 101 -6.068 -21.176 9.424 1.00 0.00 O ATOM 0 H SER A 101 -3.689 -19.259 8.429 1.00 0.00 H new ATOM 0 HA SER A 101 -2.808 -21.836 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.842 -22.523 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.727 -20.871 10.956 1.00 0.00 H new ATOM 0 HG SER A 101 -6.777 -21.745 9.791 1.00 0.00 H new ATOM 1623 N GLY A 102 -4.176 -22.971 7.503 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.525 -23.486 6.192 1.00 0.00 C ATOM 1625 C GLY A 102 -3.340 -24.104 5.477 1.00 0.00 C ATOM 1626 O GLY A 102 -2.385 -24.551 6.113 1.00 0.00 O ATOM 0 H GLY A 102 -4.063 -23.681 8.226 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.312 -24.233 6.296 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.931 -22.678 5.584 1.00 0.00 H new ATOM 1630 N THR A 103 -3.400 -24.131 4.149 1.00 0.00 N ATOM 1631 CA THR A 103 -2.325 -24.702 3.347 1.00 0.00 C ATOM 1632 C THR A 103 -1.662 -23.637 2.480 1.00 0.00 C ATOM 1633 O THR A 103 -2.319 -22.707 2.012 1.00 0.00 O ATOM 1634 CB THR A 103 -2.841 -25.837 2.443 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.980 -25.392 1.699 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.213 -27.059 3.268 1.00 0.00 C ATOM 0 H THR A 103 -4.182 -23.764 3.606 1.00 0.00 H new ATOM 0 HA THR A 103 -1.591 -25.108 4.043 1.00 0.00 H new ATOM 0 HB THR A 103 -2.043 -26.113 1.753 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.301 -26.119 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.575 -27.847 2.608 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.336 -27.413 3.810 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.996 -26.794 3.979 1.00 0.00 H new ATOM 1644 N SER A 104 -0.358 -23.781 2.269 1.00 0.00 N ATOM 1645 CA SER A 104 0.395 -22.830 1.459 1.00 0.00 C ATOM 1646 C SER A 104 -0.206 -22.711 0.062 1.00 0.00 C ATOM 1647 O SER A 104 -0.514 -21.612 -0.402 1.00 0.00 O ATOM 1648 CB SER A 104 1.860 -23.257 1.362 1.00 0.00 C ATOM 1649 OG SER A 104 1.990 -24.664 1.478 1.00 0.00 O ATOM 0 H SER A 104 0.199 -24.547 2.647 1.00 0.00 H new ATOM 0 HA SER A 104 0.340 -21.855 1.943 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.276 -22.927 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.437 -22.769 2.148 1.00 0.00 H new ATOM 0 HG SER A 104 2.936 -24.912 1.411 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.370 -23.849 -0.604 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.934 -23.874 -1.947 1.00 0.00 C ATOM 1657 C ILE A 105 -2.176 -22.994 -2.038 1.00 0.00 C ATOM 1658 O ILE A 105 -2.227 -22.053 -2.830 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.301 -25.306 -2.378 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.036 -26.107 -2.692 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.228 -25.276 -3.583 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.871 -25.435 -3.698 1.00 0.00 C ATOM 0 H ILE A 105 -0.120 -24.766 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.167 -23.487 -2.618 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.823 -25.794 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.519 -26.272 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.322 -27.088 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.478 -26.296 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.141 -24.738 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.731 -24.773 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.747 -26.059 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.333 -25.295 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.187 -24.466 -3.312 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.176 -23.305 -1.220 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.417 -22.540 -1.204 1.00 0.00 C ATOM 1676 C ALA A 106 -4.165 -21.094 -0.791 1.00 0.00 C ATOM 1677 O ALA A 106 -4.820 -20.175 -1.282 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.426 -23.191 -0.270 1.00 0.00 C ATOM 0 H ALA A 106 -3.151 -24.082 -0.559 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.825 -22.535 -2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.348 -22.609 -0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.637 -24.204 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.017 -23.226 0.740 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.214 -20.900 0.116 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.877 -19.565 0.596 1.00 0.00 C ATOM 1686 C PHE A 107 -2.493 -18.650 -0.563 1.00 0.00 C ATOM 1687 O PHE A 107 -2.895 -17.487 -0.612 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.729 -19.638 1.606 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.293 -18.294 2.115 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.915 -17.718 3.212 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.261 -17.605 1.497 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.515 -16.482 3.683 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.143 -16.369 1.965 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.486 -15.806 3.058 1.00 0.00 C ATOM 0 H PHE A 107 -2.663 -21.650 0.533 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.757 -19.150 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.037 -20.255 2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.878 -20.135 1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.721 -18.241 3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.233 -18.039 0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.007 -16.045 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.950 -15.844 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.174 -14.839 3.423 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.710 -19.183 -1.495 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.270 -18.417 -2.655 1.00 0.00 C ATOM 1706 C LYS A 108 -2.319 -18.455 -3.761 1.00 0.00 C ATOM 1707 O LYS A 108 -2.749 -17.415 -4.258 1.00 0.00 O ATOM 1708 CB LYS A 108 0.059 -18.964 -3.179 1.00 0.00 C ATOM 1709 CG LYS A 108 1.227 -18.730 -2.237 1.00 0.00 C ATOM 1710 CD LYS A 108 2.482 -19.440 -2.716 1.00 0.00 C ATOM 1711 CE LYS A 108 3.382 -19.829 -1.553 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.293 -18.719 -1.161 1.00 0.00 N ATOM 0 H LYS A 108 -1.367 -20.143 -1.469 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.132 -17.381 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.044 -20.034 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.280 -18.500 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.422 -17.661 -2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.967 -19.083 -1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.205 -20.333 -3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.030 -18.791 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.768 -20.114 -0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.972 -20.703 -1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.201 -19.112 -0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.455 -18.098 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.860 -18.171 -0.390 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.728 -19.661 -4.142 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.728 -19.834 -5.189 1.00 0.00 C ATOM 1728 C ASN A 109 -4.838 -18.796 -5.058 1.00 0.00 C ATOM 1729 O ASN A 109 -5.306 -18.243 -6.054 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.322 -21.243 -5.129 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.546 -22.234 -5.976 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.697 -23.025 -5.332 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.710 -22.287 -7.195 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.382 -20.533 -3.741 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.237 -19.695 -6.152 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.335 -21.585 -4.094 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.358 -21.213 -5.467 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.374 -21.659 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.182 -22.959 -7.752 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.255 -18.537 -3.823 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.309 -17.565 -3.562 1.00 0.00 C ATOM 1742 C ILE A 110 -5.769 -16.140 -3.620 1.00 0.00 C ATOM 1743 O ILE A 110 -6.413 -15.243 -4.163 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.962 -17.798 -2.187 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.145 -16.848 -1.992 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.939 -17.614 -1.076 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.374 -17.242 -2.781 1.00 0.00 C ATOM 0 H ILE A 110 -4.879 -18.987 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.061 -17.699 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.332 -18.822 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.400 -16.811 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.844 -15.842 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.416 -17.782 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.126 -18.328 -1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.541 -16.600 -1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.172 -16.524 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.136 -17.251 -3.845 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.701 -18.235 -2.474 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.582 -15.939 -3.058 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.953 -14.625 -3.049 1.00 0.00 C ATOM 1761 C ALA A 111 -3.914 -14.025 -4.451 1.00 0.00 C ATOM 1762 O ALA A 111 -4.006 -12.809 -4.619 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.547 -14.716 -2.473 1.00 0.00 C ATOM 0 H ALA A 111 -4.036 -16.671 -2.603 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.551 -13.968 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.089 -13.727 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.596 -15.094 -1.452 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.948 -15.393 -3.082 1.00 0.00 H new ATOM 1769 N SER A 112 -3.777 -14.886 -5.454 1.00 0.00 N ATOM 1770 CA SER A 112 -3.722 -14.440 -6.841 1.00 0.00 C ATOM 1771 C SER A 112 -5.049 -13.818 -7.265 1.00 0.00 C ATOM 1772 O SER A 112 -5.080 -12.752 -7.880 1.00 0.00 O ATOM 1773 CB SER A 112 -3.378 -15.613 -7.762 1.00 0.00 C ATOM 1774 OG SER A 112 -3.549 -15.259 -9.124 1.00 0.00 O ATOM 0 H SER A 112 -3.702 -15.896 -5.332 1.00 0.00 H new ATOM 0 HA SER A 112 -2.943 -13.682 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.348 -15.924 -7.590 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.013 -16.466 -7.522 1.00 0.00 H new ATOM 0 HG SER A 112 -3.322 -16.025 -9.692 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.144 -14.492 -6.932 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.476 -14.007 -7.276 1.00 0.00 C ATOM 1782 C LYS A 113 -7.711 -12.613 -6.705 1.00 0.00 C ATOM 1783 O LYS A 113 -8.124 -11.700 -7.421 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.543 -14.971 -6.753 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.513 -16.334 -7.423 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.033 -16.266 -8.849 1.00 0.00 C ATOM 1787 CE LYS A 113 -10.547 -16.126 -8.884 1.00 0.00 C ATOM 1788 NZ LYS A 113 -11.229 -17.443 -8.748 1.00 0.00 N ATOM 0 H LYS A 113 -6.136 -15.376 -6.424 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.546 -13.952 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.409 -15.100 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.527 -14.525 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.493 -16.717 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.116 -17.036 -6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -8.576 -15.421 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -8.737 -17.166 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.869 -15.465 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.847 -15.657 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.259 -17.305 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.941 -18.065 -9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.963 -17.880 -7.842 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.445 -12.455 -5.413 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.626 -11.171 -4.747 1.00 0.00 C ATOM 1804 C ILE A 114 -6.828 -10.074 -5.443 1.00 0.00 C ATOM 1805 O ILE A 114 -7.347 -8.992 -5.714 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.203 -11.239 -3.268 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -8.049 -12.272 -2.519 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.330 -9.870 -2.617 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.495 -11.862 -2.353 1.00 0.00 C ATOM 0 H ILE A 114 -7.103 -13.200 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.689 -10.934 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.159 -11.548 -3.218 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -8.008 -13.221 -3.054 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.613 -12.442 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -7.027 -9.935 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.688 -9.159 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.365 -9.534 -2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.034 -12.641 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.547 -10.929 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.948 -11.720 -3.334 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.563 -10.362 -5.730 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.693 -9.402 -6.398 1.00 0.00 C ATOM 1823 C ALA A 115 -5.278 -8.972 -7.739 1.00 0.00 C ATOM 1824 O ALA A 115 -5.432 -7.781 -8.006 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.304 -9.992 -6.590 1.00 0.00 C ATOM 0 H ALA A 115 -5.118 -11.253 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.615 -8.518 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.665 -9.264 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.878 -10.242 -5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.373 -10.893 -7.199 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.601 -9.950 -8.579 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.168 -9.671 -9.894 1.00 0.00 C ATOM 1833 C ASN A 116 -7.342 -8.703 -9.786 1.00 0.00 C ATOM 1834 O ASN A 116 -7.434 -7.738 -10.544 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.624 -10.971 -10.561 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.480 -11.711 -11.227 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.681 -11.117 -11.952 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -5.398 -13.014 -10.985 1.00 0.00 N ATOM 0 H ASN A 116 -5.480 -10.942 -8.373 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.394 -9.208 -10.506 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -7.085 -11.617 -9.814 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.389 -10.746 -11.304 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.650 -13.565 -11.407 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.083 -13.464 -10.377 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.236 -8.968 -8.839 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.404 -8.119 -8.632 1.00 0.00 C ATOM 1847 C GLU A 117 -8.986 -6.708 -8.229 1.00 0.00 C ATOM 1848 O GLU A 117 -9.473 -5.722 -8.784 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.315 -8.720 -7.560 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.876 -10.082 -7.931 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.210 -10.193 -9.406 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.318 -9.772 -9.797 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.362 -10.702 -10.168 1.00 0.00 O ATOM 0 H GLU A 117 -8.174 -9.763 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.952 -8.062 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.756 -8.808 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.142 -8.035 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.152 -10.853 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.774 -10.273 -7.344 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.083 -6.619 -7.260 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.599 -5.329 -6.780 1.00 0.00 C ATOM 1862 C LEU A 118 -6.607 -4.719 -7.766 1.00 0.00 C ATOM 1863 O LEU A 118 -5.991 -3.690 -7.487 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.941 -5.486 -5.409 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.892 -5.648 -4.223 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.227 -6.441 -3.108 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.346 -4.287 -3.714 1.00 0.00 C ATOM 0 H LEU A 118 -7.670 -7.425 -6.790 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.454 -4.659 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.282 -6.354 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.312 -4.614 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.770 -6.200 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.920 -6.546 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.953 -7.429 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.332 -5.917 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.022 -4.421 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.478 -3.710 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.863 -3.754 -4.512 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.459 -5.359 -8.920 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.545 -4.879 -9.950 1.00 0.00 C ATOM 1881 C LYS A 119 -4.153 -4.639 -9.374 1.00 0.00 C ATOM 1882 O LYS A 119 -3.456 -3.706 -9.775 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.080 -3.588 -10.574 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.179 -3.817 -11.597 1.00 0.00 C ATOM 1885 CD LYS A 119 -6.632 -4.430 -12.875 1.00 0.00 C ATOM 1886 CE LYS A 119 -5.772 -3.440 -13.646 1.00 0.00 C ATOM 1887 NZ LYS A 119 -5.395 -3.960 -14.989 1.00 0.00 N ATOM 0 H LYS A 119 -6.961 -6.212 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.472 -5.645 -10.722 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.461 -2.942 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.256 -3.056 -11.051 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.940 -4.473 -11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.667 -2.870 -11.827 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.042 -5.314 -12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.459 -4.762 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.313 -2.501 -13.759 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.870 -3.221 -13.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.810 -3.256 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.857 -4.843 -14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.255 -4.145 -15.544 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.754 -5.486 -8.432 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.444 -5.367 -7.801 1.00 0.00 C ATOM 1903 C LEU A 120 -1.391 -6.149 -8.580 1.00 0.00 C ATOM 1904 O LEU A 120 -1.682 -6.731 -9.625 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.503 -5.869 -6.357 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.536 -5.194 -5.454 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.659 -5.939 -4.134 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.165 -3.738 -5.215 1.00 0.00 C ATOM 0 H LEU A 120 -4.319 -6.263 -8.088 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.163 -4.314 -7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.708 -6.939 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.518 -5.740 -5.908 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.503 -5.224 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.399 -5.444 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.972 -6.966 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.694 -5.942 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.911 -3.273 -4.570 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.188 -3.686 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.130 -3.210 -6.168 1.00 0.00 H new ATOM 1920 N SER A 121 -0.166 -6.159 -8.064 1.00 0.00 N ATOM 1921 CA SER A 121 0.931 -6.868 -8.712 1.00 0.00 C ATOM 1922 C SER A 121 0.667 -8.370 -8.737 1.00 0.00 C ATOM 1923 O SER A 121 -0.428 -8.825 -8.411 1.00 0.00 O ATOM 1924 CB SER A 121 2.249 -6.582 -7.988 1.00 0.00 C ATOM 1925 OG SER A 121 2.264 -7.178 -6.702 1.00 0.00 O ATOM 0 H SER A 121 0.092 -5.684 -7.199 1.00 0.00 H new ATOM 0 HA SER A 121 1.004 -6.512 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.082 -6.963 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.390 -5.505 -7.895 1.00 0.00 H new ATOM 0 HG SER A 121 3.117 -6.982 -6.261 1.00 0.00 H new ATOM 1931 N GLY A 122 1.681 -9.137 -9.128 1.00 0.00 N ATOM 1932 CA GLY A 122 1.539 -10.580 -9.190 1.00 0.00 C ATOM 1933 C GLY A 122 2.857 -11.301 -8.989 1.00 0.00 C ATOM 1934 O GLY A 122 3.353 -11.993 -9.879 1.00 0.00 O ATOM 0 H GLY A 122 2.598 -8.784 -9.403 1.00 0.00 H new ATOM 0 HA2 GLY A 122 0.830 -10.905 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 122 1.119 -10.860 -10.156 1.00 0.00 H new ATOM 1938 N PRO A 123 3.448 -11.140 -7.796 1.00 0.00 N ATOM 1939 CA PRO A 123 4.725 -11.772 -7.453 1.00 0.00 C ATOM 1940 C PRO A 123 4.601 -13.284 -7.298 1.00 0.00 C ATOM 1941 O PRO A 123 5.577 -13.969 -6.995 1.00 0.00 O ATOM 1942 CB PRO A 123 5.094 -11.126 -6.116 1.00 0.00 C ATOM 1943 CG PRO A 123 3.792 -10.705 -5.527 1.00 0.00 C ATOM 1944 CD PRO A 123 2.914 -10.329 -6.689 1.00 0.00 C ATOM 0 HA PRO A 123 5.473 -11.627 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.613 -11.830 -5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.758 -10.274 -6.258 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.347 -11.513 -4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.925 -9.862 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.867 -10.558 -6.492 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.972 -9.263 -6.908 1.00 0.00 H new ATOM 1952 N SER A 124 3.393 -13.798 -7.507 1.00 0.00 N ATOM 1953 CA SER A 124 3.140 -15.229 -7.387 1.00 0.00 C ATOM 1954 C SER A 124 3.621 -15.973 -8.629 1.00 0.00 C ATOM 1955 O SER A 124 4.297 -16.997 -8.531 1.00 0.00 O ATOM 1956 CB SER A 124 1.648 -15.488 -7.170 1.00 0.00 C ATOM 1957 OG SER A 124 1.379 -16.877 -7.081 1.00 0.00 O ATOM 0 H SER A 124 2.574 -13.245 -7.760 1.00 0.00 H new ATOM 0 HA SER A 124 3.696 -15.599 -6.525 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.318 -14.991 -6.257 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.077 -15.056 -7.992 1.00 0.00 H new ATOM 0 HG SER A 124 0.419 -17.016 -6.941 1.00 0.00 H new ATOM 1963 N SER A 125 3.269 -15.448 -9.799 1.00 0.00 N ATOM 1964 CA SER A 125 3.661 -16.063 -11.061 1.00 0.00 C ATOM 1965 C SER A 125 3.599 -17.585 -10.967 1.00 0.00 C ATOM 1966 O SER A 125 4.480 -18.285 -11.464 1.00 0.00 O ATOM 1967 CB SER A 125 5.073 -15.621 -11.451 1.00 0.00 C ATOM 1968 OG SER A 125 5.082 -14.274 -11.890 1.00 0.00 O ATOM 0 H SER A 125 2.713 -14.598 -9.898 1.00 0.00 H new ATOM 0 HA SER A 125 2.960 -15.736 -11.829 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.741 -15.733 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 125 5.454 -16.267 -12.242 1.00 0.00 H new ATOM 0 HG SER A 125 5.996 -14.015 -12.132 1.00 0.00 H new ATOM 1974 N GLY A 126 2.551 -18.090 -10.324 1.00 0.00 N ATOM 1975 CA GLY A 126 2.393 -19.525 -10.175 1.00 0.00 C ATOM 1976 C GLY A 126 1.033 -19.904 -9.622 1.00 0.00 C ATOM 1977 O GLY A 126 0.892 -20.163 -8.427 1.00 0.00 O ATOM 0 H GLY A 126 1.808 -17.531 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.535 -20.006 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.170 -19.906 -9.513 1.00 0.00 H new TER 1981 GLY A 126