USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1082 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 100 SER OG : rot 180:sc= 0.133 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.266 USER MOD Set 1.3: A 111 ASN : amide:sc= 0.402 K(o=0.8,f=-1.4!) USER MOD Set 2.1: A 81 THR OG1 : rot 79:sc= 0.693 USER MOD Set 2.2: A 93 THR OG1 : rot 69:sc= 0.308 USER MOD Set 3.1: A 47 HIS : no HD1:sc= -0.0602 X(o=-0.12,f=0.23) USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= -0.0577 USER MOD Set 4.1: A 19 MET CE :methyl -167:sc= 0 (180deg=-0.161) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0109 (180deg=-0.0572) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 34:sc= 0.212 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot -172:sc= 0.545 USER MOD Single : A 8 GLN : amide:sc= 0.0167 X(o=0.017,f=-0.047) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -4 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.41) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A -7 HIS : no HD1:sc= -0.068 X(o=-0.068,f=0) USER MOD Single : A -7 HIS N :NH3+ 169:sc= 0 (180deg=-0.114) USER MOD Single : A 10 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.13) USER MOD Single : A 11 SER OG : rot 28:sc= 0.174 USER MOD Single : A 12 GLN : amide:sc= -0.542 K(o=-0.54,f=-2.1) USER MOD Single : A 14 ASN : amide:sc= 0.0989 K(o=0.099,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 0.995 (180deg=0.464) USER MOD Single : A 30 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.34) USER MOD Single : A 31 LYS NZ :NH3+ -167:sc=-0.00794 (180deg=-0.145) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.0146 K(o=0.015,f=-2.4!) USER MOD Single : A 44 ASN : amide:sc= 0.857 K(o=0.86,f=-0.019) USER MOD Single : A 46 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0503) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0193 (180deg=-0.209) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -41:sc= 0.351 USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= -0.0185 (180deg=-2.37!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0839 X(o=-0.084,f=-0.0019) USER MOD Single : A 69 CYS SG : rot -33:sc= 0.286 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -127:sc= 0.141 (180deg=-0.317) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 0.0369 (180deg=0.0179) USER MOD Single : A 84 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.73) USER MOD Single : A 89 ASN : amide:sc= 0.501 K(o=0.5,f=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ -150:sc= 0.975 (180deg=0.557) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.075) USER MOD Single : A 97 ASN : amide:sc= 0.00431 K(o=0.0043,f=-1.6!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0.072 X(o=0.072,f=0) USER MOD Single : A 110 THR OG1 : rot 122:sc= 0.0605 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 159:sc= -0.0032 (180deg=-0.704) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0813) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 21.354 -20.120 -15.467 1.00 21.13 N ATOM 2 CA HIS A -7 21.889 -19.710 -14.124 1.00 50.05 C ATOM 3 C HIS A -7 22.109 -18.172 -14.224 1.00 12.24 C ATOM 4 O HIS A -7 23.138 -17.678 -13.763 1.00 44.41 O ATOM 5 CB HIS A -7 23.150 -20.513 -13.726 1.00 43.24 C ATOM 6 CG HIS A -7 22.892 -21.951 -13.344 1.00 50.05 C ATOM 7 ND1 HIS A -7 23.895 -22.906 -13.344 1.00 22.34 N ATOM 8 CD2 HIS A -7 21.756 -22.611 -12.919 1.00 44.12 C ATOM 9 CE1 HIS A -7 23.346 -24.056 -12.938 1.00 43.51 C ATOM 10 NE2 HIS A -7 22.051 -23.952 -12.666 1.00 41.52 N ATOM 0 H1 HIS A -7 21.357 -21.157 -15.540 1.00 21.13 H new ATOM 0 H2 HIS A -7 20.381 -19.768 -15.575 1.00 21.13 H new ATOM 0 H3 HIS A -7 21.953 -19.718 -16.217 1.00 21.13 H new ATOM 0 HA HIS A -7 21.195 -19.936 -13.314 1.00 50.05 H new ATOM 0 HB2 HIS A -7 23.853 -20.494 -14.559 1.00 43.24 H new ATOM 0 HB3 HIS A -7 23.634 -20.011 -12.888 1.00 43.24 H new ATOM 0 HD2 HIS A -7 20.783 -22.157 -12.800 1.00 44.12 H new ATOM 0 HE1 HIS A -7 23.901 -24.977 -12.841 1.00 43.51 H new ATOM 0 HE2 HIS A -7 21.417 -24.684 -12.346 1.00 41.52 H new ATOM 18 N HIS A -6 21.097 -17.420 -14.703 1.00 75.54 N ATOM 19 CA HIS A -6 21.082 -15.957 -14.744 1.00 24.24 C ATOM 20 C HIS A -6 19.813 -15.479 -14.026 1.00 55.13 C ATOM 21 O HIS A -6 18.792 -15.247 -14.673 1.00 41.10 O ATOM 22 CB HIS A -6 21.176 -15.476 -16.210 1.00 65.50 C ATOM 23 CG HIS A -6 22.435 -15.903 -16.928 1.00 45.11 C ATOM 24 ND1 HIS A -6 23.706 -15.655 -16.433 1.00 42.44 N ATOM 25 CD2 HIS A -6 22.627 -16.602 -18.099 1.00 31.02 C ATOM 26 CE1 HIS A -6 24.577 -16.194 -17.292 1.00 14.24 C ATOM 27 NE2 HIS A -6 23.992 -16.789 -18.324 1.00 3.00 N ATOM 0 H HIS A -6 20.245 -17.834 -15.082 1.00 75.54 H new ATOM 0 HA HIS A -6 21.942 -15.528 -14.229 1.00 24.24 H new ATOM 0 HB2 HIS A -6 20.313 -15.853 -16.759 1.00 65.50 H new ATOM 0 HB3 HIS A -6 21.114 -14.388 -16.227 1.00 65.50 H new ATOM 0 HD2 HIS A -6 21.838 -16.954 -18.747 1.00 31.02 H new ATOM 0 HE1 HIS A -6 25.648 -16.150 -17.160 1.00 14.24 H new ATOM 0 HE2 HIS A -6 24.438 -17.273 -19.104 1.00 3.00 H new ATOM 35 N HIS A -5 19.914 -15.389 -12.689 1.00 22.14 N ATOM 36 CA HIS A -5 18.850 -15.084 -11.723 1.00 60.41 C ATOM 37 C HIS A -5 17.756 -16.164 -11.653 1.00 3.35 C ATOM 38 O HIS A -5 17.802 -16.991 -10.744 1.00 20.35 O ATOM 39 CB HIS A -5 18.276 -13.653 -11.878 1.00 1.11 C ATOM 40 CG HIS A -5 19.137 -12.578 -11.263 1.00 33.10 C ATOM 41 ND1 HIS A -5 20.242 -12.035 -11.895 1.00 64.31 N ATOM 42 CD2 HIS A -5 19.044 -11.924 -10.054 1.00 1.15 C ATOM 43 CE1 HIS A -5 20.758 -11.121 -11.068 1.00 61.44 C ATOM 44 NE2 HIS A -5 20.084 -11.001 -9.931 1.00 42.43 N ATOM 0 H HIS A -5 20.809 -15.539 -12.223 1.00 22.14 H new ATOM 0 HA HIS A -5 19.339 -15.103 -10.749 1.00 60.41 H new ATOM 0 HB2 HIS A -5 18.146 -13.438 -12.939 1.00 1.11 H new ATOM 0 HB3 HIS A -5 17.287 -13.618 -11.422 1.00 1.11 H new ATOM 0 HD2 HIS A -5 18.280 -12.099 -9.311 1.00 1.15 H new ATOM 0 HE1 HIS A -5 21.636 -10.538 -11.302 1.00 61.44 H new ATOM 0 HE2 HIS A -5 20.281 -10.378 -9.148 1.00 42.43 H new ATOM 52 N HIS A -4 16.783 -16.119 -12.577 1.00 23.42 N ATOM 53 CA HIS A -4 15.589 -16.965 -12.554 1.00 64.23 C ATOM 54 C HIS A -4 15.060 -17.201 -13.978 1.00 70.33 C ATOM 55 O HIS A -4 15.363 -16.424 -14.885 1.00 61.43 O ATOM 56 CB HIS A -4 14.536 -16.300 -11.638 1.00 61.11 C ATOM 57 CG HIS A -4 13.381 -17.177 -11.223 1.00 51.40 C ATOM 58 ND1 HIS A -4 13.553 -18.377 -10.555 1.00 43.21 N ATOM 59 CD2 HIS A -4 12.020 -17.026 -11.369 1.00 12.12 C ATOM 60 CE1 HIS A -4 12.336 -18.875 -10.319 1.00 24.10 C ATOM 61 NE2 HIS A -4 11.358 -18.108 -10.782 1.00 54.41 N ATOM 0 H HIS A -4 16.809 -15.481 -13.373 1.00 23.42 H new ATOM 0 HA HIS A -4 15.830 -17.949 -12.152 1.00 64.23 H new ATOM 0 HB2 HIS A -4 15.038 -15.942 -10.739 1.00 61.11 H new ATOM 0 HB3 HIS A -4 14.137 -15.424 -12.150 1.00 61.11 H new ATOM 0 HD2 HIS A -4 11.537 -16.196 -11.863 1.00 12.12 H new ATOM 0 HE1 HIS A -4 12.166 -19.808 -9.803 1.00 24.10 H new ATOM 0 HE2 HIS A -4 10.353 -18.271 -10.723 1.00 54.41 H new ATOM 69 N HIS A -3 14.272 -18.276 -14.137 1.00 61.24 N ATOM 70 CA HIS A -3 13.679 -18.693 -15.407 1.00 12.33 C ATOM 71 C HIS A -3 12.428 -19.535 -15.110 1.00 34.40 C ATOM 72 O HIS A -3 12.486 -20.763 -15.183 1.00 33.02 O ATOM 73 CB HIS A -3 14.742 -19.429 -16.259 1.00 62.21 C ATOM 74 CG HIS A -3 14.346 -19.686 -17.693 1.00 50.41 C ATOM 75 ND1 HIS A -3 14.737 -18.862 -18.735 1.00 74.24 N ATOM 76 CD2 HIS A -3 13.620 -20.701 -18.278 1.00 21.12 C ATOM 77 CE1 HIS A -3 14.240 -19.385 -19.860 1.00 64.04 C ATOM 78 NE2 HIS A -3 13.548 -20.500 -19.658 1.00 43.44 N ATOM 0 H HIS A -3 14.026 -18.892 -13.362 1.00 61.24 H new ATOM 0 HA HIS A -3 13.357 -17.837 -16.000 1.00 12.33 H new ATOM 0 HB2 HIS A -3 15.661 -18.843 -16.251 1.00 62.21 H new ATOM 0 HB3 HIS A -3 14.969 -20.384 -15.784 1.00 62.21 H new ATOM 0 HD2 HIS A -3 13.173 -21.529 -17.748 1.00 21.12 H new ATOM 0 HE1 HIS A -3 14.387 -18.945 -20.835 1.00 64.04 H new ATOM 0 HE2 HIS A -3 13.073 -21.077 -20.352 1.00 43.44 H new ATOM 86 N HIS A -2 11.327 -18.857 -14.744 1.00 42.02 N ATOM 87 CA HIS A -2 10.036 -19.473 -14.418 1.00 4.43 C ATOM 88 C HIS A -2 8.901 -18.433 -14.438 1.00 54.24 C ATOM 89 O HIS A -2 9.144 -17.259 -14.722 1.00 62.12 O ATOM 90 CB HIS A -2 10.119 -20.258 -13.082 1.00 61.50 C ATOM 91 CG HIS A -2 9.978 -21.752 -13.242 1.00 43.25 C ATOM 92 ND1 HIS A -2 11.035 -22.628 -13.057 1.00 14.32 N ATOM 93 CD2 HIS A -2 8.896 -22.541 -13.565 1.00 60.40 C ATOM 94 CE1 HIS A -2 10.571 -23.860 -13.282 1.00 50.44 C ATOM 95 NE2 HIS A -2 9.281 -23.884 -13.595 1.00 24.23 N ATOM 0 H HIS A -2 11.313 -17.840 -14.666 1.00 42.02 H new ATOM 0 HA HIS A -2 9.793 -20.202 -15.191 1.00 4.43 H new ATOM 0 HB2 HIS A -2 11.074 -20.042 -12.604 1.00 61.50 H new ATOM 0 HB3 HIS A -2 9.338 -19.899 -12.412 1.00 61.50 H new ATOM 0 HD2 HIS A -2 7.899 -22.176 -13.765 1.00 60.40 H new ATOM 0 HE1 HIS A -2 11.183 -24.747 -13.216 1.00 50.44 H new ATOM 0 HE2 HIS A -2 8.703 -24.697 -13.809 1.00 24.23 H new ATOM 103 N VAL A -1 7.672 -18.905 -14.171 1.00 15.23 N ATOM 104 CA VAL A -1 6.427 -18.129 -14.231 1.00 20.31 C ATOM 105 C VAL A -1 5.655 -18.122 -12.888 1.00 21.12 C ATOM 106 O VAL A -1 4.470 -17.785 -12.870 1.00 31.13 O ATOM 107 CB VAL A -1 5.505 -18.649 -15.374 1.00 12.52 C ATOM 108 CG1 VAL A -1 6.139 -18.421 -16.757 1.00 3.12 C ATOM 109 CG2 VAL A -1 5.058 -20.116 -15.209 1.00 64.25 C ATOM 0 H VAL A -1 7.515 -19.875 -13.897 1.00 15.23 H new ATOM 0 HA VAL A -1 6.718 -17.099 -14.440 1.00 20.31 H new ATOM 0 HB VAL A -1 4.596 -18.052 -15.300 1.00 12.52 H new ATOM 0 HG11 VAL A -1 5.469 -18.796 -17.531 1.00 3.12 H new ATOM 0 HG12 VAL A -1 6.308 -17.355 -16.908 1.00 3.12 H new ATOM 0 HG13 VAL A -1 7.090 -18.951 -16.813 1.00 3.12 H new ATOM 0 HG21 VAL A -1 4.420 -20.398 -16.046 1.00 64.25 H new ATOM 0 HG22 VAL A -1 5.935 -20.763 -15.187 1.00 64.25 H new ATOM 0 HG23 VAL A -1 4.503 -20.225 -14.277 1.00 64.25 H new ATOM 119 N ALA A 0 6.341 -18.455 -11.778 1.00 75.33 N ATOM 120 CA ALA A 0 5.814 -18.365 -10.415 1.00 13.51 C ATOM 121 C ALA A 0 5.588 -16.906 -9.984 1.00 44.21 C ATOM 122 O ALA A 0 6.419 -16.047 -10.283 1.00 65.44 O ATOM 123 CB ALA A 0 6.793 -19.061 -9.459 1.00 22.50 C ATOM 0 H ALA A 0 7.300 -18.802 -11.812 1.00 75.33 H new ATOM 0 HA ALA A 0 4.843 -18.860 -10.383 1.00 13.51 H new ATOM 0 HB1 ALA A 0 6.411 -19.001 -8.440 1.00 22.50 H new ATOM 0 HB2 ALA A 0 6.899 -20.107 -9.745 1.00 22.50 H new ATOM 0 HB3 ALA A 0 7.765 -18.570 -9.512 1.00 22.50 H new ATOM 129 N MET A 1 4.474 -16.662 -9.277 1.00 24.02 N ATOM 130 CA MET A 1 4.089 -15.344 -8.773 1.00 5.22 C ATOM 131 C MET A 1 4.510 -15.227 -7.304 1.00 65.13 C ATOM 132 O MET A 1 3.818 -15.725 -6.417 1.00 4.04 O ATOM 133 CB MET A 1 2.580 -15.138 -8.992 1.00 54.13 C ATOM 134 CG MET A 1 2.211 -14.984 -10.477 1.00 75.42 C ATOM 135 SD MET A 1 2.658 -13.380 -11.213 1.00 35.22 S ATOM 136 CE MET A 1 4.111 -13.839 -12.194 1.00 62.22 C ATOM 0 H MET A 1 3.805 -17.394 -9.037 1.00 24.02 H new ATOM 0 HA MET A 1 4.599 -14.548 -9.316 1.00 5.22 H new ATOM 0 HB2 MET A 1 2.037 -15.985 -8.573 1.00 54.13 H new ATOM 0 HB3 MET A 1 2.256 -14.251 -8.447 1.00 54.13 H new ATOM 0 HG2 MET A 1 2.701 -15.776 -11.043 1.00 75.42 H new ATOM 0 HG3 MET A 1 1.137 -15.131 -10.587 1.00 75.42 H new ATOM 0 HE1 MET A 1 4.681 -12.943 -12.441 1.00 62.22 H new ATOM 0 HE2 MET A 1 4.738 -14.521 -11.619 1.00 62.22 H new ATOM 0 HE3 MET A 1 3.790 -14.329 -13.113 1.00 62.22 H new ATOM 146 N SER A 2 5.673 -14.587 -7.110 1.00 51.31 N ATOM 147 CA SER A 2 6.368 -14.464 -5.837 1.00 70.03 C ATOM 148 C SER A 2 6.484 -12.980 -5.468 1.00 64.11 C ATOM 149 O SER A 2 7.107 -12.215 -6.205 1.00 21.45 O ATOM 150 CB SER A 2 7.766 -15.096 -5.987 1.00 61.24 C ATOM 151 OG SER A 2 7.658 -16.500 -6.114 1.00 64.31 O ATOM 0 H SER A 2 6.168 -14.125 -7.873 1.00 51.31 H new ATOM 0 HA SER A 2 5.821 -14.976 -5.045 1.00 70.03 H new ATOM 0 HB2 SER A 2 8.268 -14.682 -6.862 1.00 61.24 H new ATOM 0 HB3 SER A 2 8.380 -14.848 -5.121 1.00 61.24 H new ATOM 0 HG SER A 2 8.552 -16.889 -6.210 1.00 64.31 H new ATOM 157 N PHE A 3 5.882 -12.610 -4.326 1.00 51.23 N ATOM 158 CA PHE A 3 5.902 -11.252 -3.774 1.00 34.33 C ATOM 159 C PHE A 3 7.273 -10.776 -3.262 1.00 42.54 C ATOM 160 O PHE A 3 7.509 -9.569 -3.249 1.00 61.34 O ATOM 161 CB PHE A 3 4.820 -11.140 -2.679 1.00 42.50 C ATOM 162 CG PHE A 3 3.418 -10.899 -3.202 1.00 12.51 C ATOM 163 CD1 PHE A 3 3.035 -9.606 -3.620 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.536 -11.979 -3.413 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.773 -9.398 -4.159 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.280 -11.750 -3.960 1.00 20.11 C ATOM 167 CZ PHE A 3 0.899 -10.464 -4.321 1.00 13.10 C ATOM 0 H PHE A 3 5.356 -13.266 -3.749 1.00 51.23 H new ATOM 0 HA PHE A 3 5.683 -10.576 -4.601 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.822 -12.057 -2.090 1.00 42.50 H new ATOM 0 HB3 PHE A 3 5.087 -10.327 -2.004 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.723 -8.780 -3.520 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.837 -12.982 -3.150 1.00 61.21 H new ATOM 0 HE1 PHE A 3 1.470 -8.404 -4.453 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.598 -12.574 -4.105 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.085 -10.292 -4.731 1.00 13.10 H new ATOM 177 N SER A 4 8.145 -11.719 -2.869 1.00 10.11 N ATOM 178 CA SER A 4 9.493 -11.486 -2.350 1.00 51.31 C ATOM 179 C SER A 4 10.421 -10.745 -3.340 1.00 52.21 C ATOM 180 O SER A 4 10.741 -11.283 -4.403 1.00 3.23 O ATOM 181 CB SER A 4 10.070 -12.839 -1.879 1.00 73.10 C ATOM 182 OG SER A 4 10.213 -13.764 -2.943 1.00 35.45 O ATOM 0 H SER A 4 7.913 -12.711 -2.909 1.00 10.11 H new ATOM 0 HA SER A 4 9.429 -10.803 -1.503 1.00 51.31 H new ATOM 0 HB2 SER A 4 11.041 -12.674 -1.411 1.00 73.10 H new ATOM 0 HB3 SER A 4 9.417 -13.264 -1.117 1.00 73.10 H new ATOM 0 HG SER A 4 10.444 -13.284 -3.765 1.00 35.45 H new ATOM 188 N GLY A 5 10.851 -9.534 -2.955 1.00 0.50 N ATOM 189 CA GLY A 5 11.770 -8.723 -3.748 1.00 50.05 C ATOM 190 C GLY A 5 11.760 -7.269 -3.266 1.00 70.14 C ATOM 191 O GLY A 5 10.915 -6.867 -2.467 1.00 2.24 O ATOM 0 H GLY A 5 10.566 -9.093 -2.080 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.779 -9.129 -3.674 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.486 -8.765 -4.799 1.00 50.05 H new ATOM 195 N LYS A 6 12.708 -6.480 -3.799 1.00 53.11 N ATOM 196 CA LYS A 6 12.805 -5.032 -3.600 1.00 33.32 C ATOM 197 C LYS A 6 12.525 -4.348 -4.947 1.00 2.31 C ATOM 198 O LYS A 6 12.960 -4.863 -5.976 1.00 51.24 O ATOM 199 CB LYS A 6 14.212 -4.673 -3.071 1.00 34.34 C ATOM 200 CG LYS A 6 14.226 -3.400 -2.199 1.00 41.11 C ATOM 201 CD LYS A 6 15.349 -2.399 -2.489 1.00 73.43 C ATOM 202 CE LYS A 6 16.768 -2.963 -2.341 1.00 73.45 C ATOM 203 NZ LYS A 6 17.774 -1.912 -2.567 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.448 -6.847 -4.397 1.00 53.11 H new ATOM 0 HA LYS A 6 12.078 -4.690 -2.864 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.598 -5.509 -2.488 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.887 -4.534 -3.916 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.271 -2.889 -2.321 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.295 -3.701 -1.154 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.227 -2.022 -3.504 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.240 -1.547 -1.817 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.894 -3.385 -1.344 1.00 73.45 H new ATOM 0 HE3 LYS A 6 16.918 -3.775 -3.053 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 18.727 -2.315 -2.462 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 17.665 -1.527 -3.527 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 17.642 -1.150 -1.872 1.00 41.11 H new ATOM 217 N TYR A 7 11.790 -3.225 -4.913 1.00 32.11 N ATOM 218 CA TYR A 7 11.214 -2.558 -6.083 1.00 30.14 C ATOM 219 C TYR A 7 11.442 -1.041 -5.999 1.00 32.15 C ATOM 220 O TYR A 7 11.021 -0.423 -5.025 1.00 20.05 O ATOM 221 CB TYR A 7 9.692 -2.848 -6.164 1.00 54.11 C ATOM 222 CG TYR A 7 9.270 -4.308 -6.083 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.030 -5.051 -7.256 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.097 -4.925 -4.826 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.657 -6.408 -7.177 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.727 -6.282 -4.749 1.00 13.51 C ATOM 227 CZ TYR A 7 8.515 -7.028 -5.923 1.00 23.13 C ATOM 228 OH TYR A 7 8.169 -8.344 -5.844 1.00 1.12 O ATOM 0 H TYR A 7 11.575 -2.744 -4.040 1.00 32.11 H new ATOM 0 HA TYR A 7 11.704 -2.943 -6.977 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.199 -2.306 -5.357 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.316 -2.437 -7.101 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.132 -4.578 -8.221 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.249 -4.356 -3.921 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.480 -6.972 -8.081 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.605 -6.752 -3.784 1.00 13.51 H new ATOM 0 HH TYR A 7 7.985 -8.578 -4.910 1.00 1.12 H new ATOM 238 N GLN A 8 12.046 -0.449 -7.039 1.00 12.25 N ATOM 239 CA GLN A 8 12.162 1.005 -7.201 1.00 23.23 C ATOM 240 C GLN A 8 10.843 1.590 -7.740 1.00 74.20 C ATOM 241 O GLN A 8 10.127 0.899 -8.467 1.00 23.14 O ATOM 242 CB GLN A 8 13.352 1.295 -8.144 1.00 44.44 C ATOM 243 CG GLN A 8 13.139 0.922 -9.631 1.00 54.44 C ATOM 244 CD GLN A 8 14.344 0.216 -10.254 1.00 43.43 C ATOM 245 OE1 GLN A 8 15.443 0.764 -10.285 1.00 25.13 O ATOM 246 NE2 GLN A 8 14.140 -1.003 -10.759 1.00 32.20 N ATOM 0 H GLN A 8 12.473 -0.975 -7.801 1.00 12.25 H new ATOM 0 HA GLN A 8 12.349 1.484 -6.240 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.587 2.358 -8.086 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.224 0.755 -7.775 1.00 44.44 H new ATOM 0 HG2 GLN A 8 12.265 0.277 -9.715 1.00 54.44 H new ATOM 0 HG3 GLN A 8 12.923 1.827 -10.199 1.00 54.44 H new ATOM 0 HE21 GLN A 8 13.212 -1.425 -10.714 1.00 32.20 H new ATOM 0 HE22 GLN A 8 14.912 -1.512 -11.190 1.00 32.20 H new ATOM 255 N LEU A 9 10.566 2.864 -7.421 1.00 12.01 N ATOM 256 CA LEU A 9 9.460 3.629 -8.009 1.00 44.41 C ATOM 257 C LEU A 9 9.803 3.963 -9.475 1.00 23.42 C ATOM 258 O LEU A 9 10.875 4.513 -9.730 1.00 10.44 O ATOM 259 CB LEU A 9 9.216 4.889 -7.141 1.00 53.02 C ATOM 260 CG LEU A 9 7.804 5.521 -7.196 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.723 6.708 -6.224 1.00 2.25 C ATOM 262 CD2 LEU A 9 7.326 5.956 -8.590 1.00 32.31 C ATOM 0 H LEU A 9 11.110 3.395 -6.741 1.00 12.01 H new ATOM 0 HA LEU A 9 8.534 3.054 -8.021 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.431 4.632 -6.104 1.00 53.02 H new ATOM 0 HB3 LEU A 9 9.939 5.649 -7.438 1.00 53.02 H new ATOM 0 HG LEU A 9 7.126 4.720 -6.900 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.726 7.147 -6.269 1.00 2.25 H new ATOM 0 HD12 LEU A 9 7.922 6.362 -5.210 1.00 2.25 H new ATOM 0 HD13 LEU A 9 8.463 7.458 -6.503 1.00 2.25 H new ATOM 0 HD21 LEU A 9 6.327 6.385 -8.515 1.00 32.31 H new ATOM 0 HD22 LEU A 9 8.011 6.701 -8.993 1.00 32.31 H new ATOM 0 HD23 LEU A 9 7.300 5.091 -9.252 1.00 32.31 H new ATOM 274 N GLN A 10 8.896 3.615 -10.401 1.00 4.02 N ATOM 275 CA GLN A 10 9.029 3.891 -11.834 1.00 40.12 C ATOM 276 C GLN A 10 8.290 5.178 -12.214 1.00 25.41 C ATOM 277 O GLN A 10 8.900 6.081 -12.785 1.00 51.02 O ATOM 278 CB GLN A 10 8.476 2.708 -12.661 1.00 23.21 C ATOM 279 CG GLN A 10 9.280 1.408 -12.523 1.00 11.14 C ATOM 280 CD GLN A 10 10.579 1.427 -13.325 1.00 73.23 C ATOM 281 OE1 GLN A 10 10.585 1.092 -14.508 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.687 1.795 -12.682 1.00 4.53 N ATOM 0 H GLN A 10 8.033 3.124 -10.166 1.00 4.02 H new ATOM 0 HA GLN A 10 10.088 4.020 -12.056 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.446 2.518 -12.358 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.451 2.996 -13.712 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.510 1.239 -11.471 1.00 11.14 H new ATOM 0 HG3 GLN A 10 8.666 0.570 -12.854 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.640 2.066 -11.700 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.581 1.805 -13.172 1.00 4.53 H new ATOM 291 N SER A 11 6.985 5.216 -11.905 1.00 2.22 N ATOM 292 CA SER A 11 6.059 6.268 -12.307 1.00 31.44 C ATOM 293 C SER A 11 4.858 6.315 -11.355 1.00 60.01 C ATOM 294 O SER A 11 4.607 5.361 -10.619 1.00 44.20 O ATOM 295 CB SER A 11 5.614 6.031 -13.769 1.00 33.23 C ATOM 296 OG SER A 11 6.530 6.623 -14.665 1.00 42.42 O ATOM 0 H SER A 11 6.537 4.487 -11.349 1.00 2.22 H new ATOM 0 HA SER A 11 6.558 7.235 -12.251 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.543 4.961 -13.965 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.620 6.450 -13.926 1.00 33.23 H new ATOM 0 HG SER A 11 7.418 6.656 -14.251 1.00 42.42 H new ATOM 302 N GLN A 12 4.125 7.434 -11.400 1.00 33.41 N ATOM 303 CA GLN A 12 2.928 7.672 -10.598 1.00 74.33 C ATOM 304 C GLN A 12 2.092 8.786 -11.240 1.00 1.03 C ATOM 305 O GLN A 12 2.653 9.670 -11.889 1.00 32.25 O ATOM 306 CB GLN A 12 3.315 7.983 -9.133 1.00 61.21 C ATOM 307 CG GLN A 12 4.229 9.214 -8.949 1.00 23.43 C ATOM 308 CD GLN A 12 4.602 9.479 -7.491 1.00 73.02 C ATOM 309 OE1 GLN A 12 4.537 8.603 -6.632 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.020 10.708 -7.207 1.00 11.21 N ATOM 0 H GLN A 12 4.357 8.216 -12.012 1.00 33.41 H new ATOM 0 HA GLN A 12 2.311 6.774 -10.574 1.00 74.33 H new ATOM 0 HB2 GLN A 12 2.403 8.137 -8.556 1.00 61.21 H new ATOM 0 HB3 GLN A 12 3.815 7.111 -8.712 1.00 61.21 H new ATOM 0 HG2 GLN A 12 5.140 9.071 -9.529 1.00 23.43 H new ATOM 0 HG3 GLN A 12 3.728 10.093 -9.354 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.063 11.414 -7.941 1.00 11.21 H new ATOM 0 HE22 GLN A 12 5.298 10.945 -6.255 1.00 11.21 H new ATOM 319 N GLU A 13 0.771 8.720 -11.023 1.00 43.44 N ATOM 320 CA GLU A 13 -0.212 9.696 -11.497 1.00 42.23 C ATOM 321 C GLU A 13 -1.207 9.994 -10.373 1.00 20.52 C ATOM 322 O GLU A 13 -1.562 9.086 -9.623 1.00 74.05 O ATOM 323 CB GLU A 13 -0.946 9.144 -12.742 1.00 15.01 C ATOM 324 CG GLU A 13 -0.127 9.136 -14.048 1.00 12.24 C ATOM 325 CD GLU A 13 0.107 10.541 -14.607 1.00 45.31 C ATOM 326 OE1 GLU A 13 1.057 11.203 -14.135 1.00 24.51 O ATOM 327 OE2 GLU A 13 -0.681 10.933 -15.493 1.00 1.35 O1- ATOM 0 H GLU A 13 0.346 7.958 -10.494 1.00 43.44 H new ATOM 0 HA GLU A 13 0.293 10.620 -11.779 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.268 8.125 -12.530 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.847 9.736 -12.903 1.00 15.01 H new ATOM 0 HG2 GLU A 13 0.835 8.657 -13.866 1.00 12.24 H new ATOM 0 HG3 GLU A 13 -0.646 8.534 -14.794 1.00 12.24 H new ATOM 334 N ASN A 14 -1.653 11.262 -10.290 1.00 43.13 N ATOM 335 CA ASN A 14 -2.582 11.801 -9.282 1.00 52.34 C ATOM 336 C ASN A 14 -2.029 11.826 -7.839 1.00 34.24 C ATOM 337 O ASN A 14 -2.818 12.000 -6.908 1.00 23.21 O ATOM 338 CB ASN A 14 -3.982 11.111 -9.370 1.00 31.51 C ATOM 339 CG ASN A 14 -5.150 12.021 -9.766 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.076 13.244 -9.691 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.268 11.408 -10.163 1.00 73.45 N ATOM 0 H ASN A 14 -1.359 11.973 -10.959 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.706 12.853 -9.539 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.920 10.296 -10.091 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.207 10.663 -8.402 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.090 11.958 -10.414 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -6.300 10.390 -10.216 1.00 73.45 H new ATOM 348 N PHE A 15 -0.698 11.702 -7.676 1.00 24.15 N ATOM 349 CA PHE A 15 0.018 11.775 -6.397 1.00 23.43 C ATOM 350 C PHE A 15 -0.251 13.078 -5.626 1.00 74.11 C ATOM 351 O PHE A 15 -0.605 13.012 -4.452 1.00 1.01 O ATOM 352 CB PHE A 15 1.529 11.544 -6.634 1.00 2.23 C ATOM 353 CG PHE A 15 2.437 11.669 -5.415 1.00 74.31 C ATOM 354 CD1 PHE A 15 2.728 10.542 -4.618 1.00 60.44 C ATOM 355 CD2 PHE A 15 2.887 12.935 -4.986 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.511 10.673 -3.479 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.646 13.048 -3.833 1.00 71.40 C ATOM 358 CZ PHE A 15 3.965 11.923 -3.086 1.00 21.22 C ATOM 0 H PHE A 15 -0.072 11.542 -8.465 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.366 10.981 -5.756 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.660 10.547 -7.056 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.869 12.255 -7.387 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.340 9.573 -4.895 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.639 13.817 -5.557 1.00 63.41 H new ATOM 0 HE1 PHE A 15 3.767 9.799 -2.898 1.00 62.11 H new ATOM 0 HE2 PHE A 15 3.992 14.020 -3.513 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.569 12.021 -2.196 1.00 21.22 H new ATOM 368 N GLU A 16 -0.094 14.220 -6.318 1.00 41.43 N ATOM 369 CA GLU A 16 -0.342 15.575 -5.822 1.00 0.21 C ATOM 370 C GLU A 16 -1.747 15.741 -5.221 1.00 40.14 C ATOM 371 O GLU A 16 -1.850 16.056 -4.037 1.00 50.12 O ATOM 372 CB GLU A 16 -0.103 16.583 -6.969 1.00 62.30 C ATOM 373 CG GLU A 16 1.378 16.982 -7.175 1.00 34.23 C ATOM 374 CD GLU A 16 1.671 18.406 -6.694 1.00 35.45 C ATOM 375 OE1 GLU A 16 1.012 19.335 -7.209 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.529 18.547 -5.800 1.00 14.32 O1- ATOM 0 H GLU A 16 0.226 14.217 -7.287 1.00 41.43 H new ATOM 0 HA GLU A 16 0.355 15.770 -5.007 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.483 16.155 -7.897 1.00 62.30 H new ATOM 0 HB3 GLU A 16 -0.685 17.483 -6.771 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.018 16.281 -6.639 1.00 34.23 H new ATOM 0 HG3 GLU A 16 1.630 16.899 -8.232 1.00 34.23 H new ATOM 383 N ALA A 17 -2.786 15.495 -6.039 1.00 41.43 N ATOM 384 CA ALA A 17 -4.200 15.607 -5.667 1.00 64.44 C ATOM 385 C ALA A 17 -4.598 14.727 -4.472 1.00 21.15 C ATOM 386 O ALA A 17 -5.305 15.207 -3.586 1.00 52.04 O ATOM 387 CB ALA A 17 -5.067 15.267 -6.888 1.00 51.43 C ATOM 0 H ALA A 17 -2.656 15.204 -7.008 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.366 16.636 -5.347 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -6.120 15.348 -6.620 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.844 15.962 -7.697 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.853 14.249 -7.214 1.00 51.43 H new ATOM 393 N PHE A 18 -4.100 13.479 -4.459 1.00 53.03 N ATOM 394 CA PHE A 18 -4.310 12.505 -3.392 1.00 1.40 C ATOM 395 C PHE A 18 -3.660 12.924 -2.067 1.00 42.54 C ATOM 396 O PHE A 18 -4.352 12.949 -1.054 1.00 24.03 O ATOM 397 CB PHE A 18 -3.849 11.119 -3.882 1.00 72.24 C ATOM 398 CG PHE A 18 -3.969 9.970 -2.892 1.00 64.31 C ATOM 399 CD1 PHE A 18 -5.164 9.225 -2.808 1.00 12.40 C ATOM 400 CD2 PHE A 18 -2.946 9.730 -1.949 1.00 3.02 C ATOM 401 CE1 PHE A 18 -5.297 8.237 -1.842 1.00 31.44 C ATOM 402 CE2 PHE A 18 -3.108 8.753 -0.977 1.00 22.13 C ATOM 403 CZ PHE A 18 -4.280 8.010 -0.923 1.00 41.52 C ATOM 0 H PHE A 18 -3.523 13.116 -5.218 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.375 12.455 -3.164 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.425 10.864 -4.771 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.806 11.196 -4.189 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -5.974 9.423 -3.494 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -2.035 10.309 -1.984 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -6.197 7.641 -1.805 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -2.321 8.570 -0.261 1.00 22.13 H new ATOM 0 HZ PHE A 18 -4.401 7.252 -0.163 1.00 41.52 H new ATOM 413 N MET A 19 -2.355 13.251 -2.104 1.00 55.30 N ATOM 414 CA MET A 19 -1.560 13.604 -0.927 1.00 10.14 C ATOM 415 C MET A 19 -1.966 14.942 -0.285 1.00 23.02 C ATOM 416 O MET A 19 -1.964 15.019 0.943 1.00 25.41 O ATOM 417 CB MET A 19 -0.057 13.539 -1.247 1.00 3.32 C ATOM 418 CG MET A 19 0.462 12.127 -1.570 1.00 44.32 C ATOM 419 SD MET A 19 0.531 11.006 -0.147 1.00 31.24 S ATOM 420 CE MET A 19 0.944 9.448 -0.974 1.00 45.12 C ATOM 0 H MET A 19 -1.819 13.276 -2.972 1.00 55.30 H new ATOM 0 HA MET A 19 -1.778 12.854 -0.166 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.150 14.192 -2.095 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.501 13.933 -0.397 1.00 3.32 H new ATOM 0 HG2 MET A 19 -0.178 11.685 -2.334 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.460 12.210 -1.999 1.00 44.32 H new ATOM 0 HE1 MET A 19 0.798 8.619 -0.282 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.298 9.314 -1.842 1.00 45.12 H new ATOM 0 HE3 MET A 19 1.985 9.472 -1.297 1.00 45.12 H new ATOM 430 N LYS A 20 -2.372 15.941 -1.095 1.00 5.12 N ATOM 431 CA LYS A 20 -3.007 17.177 -0.610 1.00 70.21 C ATOM 432 C LYS A 20 -4.329 16.903 0.133 1.00 45.31 C ATOM 433 O LYS A 20 -4.539 17.477 1.202 1.00 54.35 O ATOM 434 CB LYS A 20 -3.220 18.201 -1.761 1.00 21.54 C ATOM 435 CG LYS A 20 -2.133 19.290 -1.887 1.00 73.32 C ATOM 436 CD LYS A 20 -0.813 18.831 -2.523 1.00 31.42 C ATOM 437 CE LYS A 20 -0.734 18.978 -4.049 1.00 14.14 C ATOM 438 NZ LYS A 20 -0.359 20.343 -4.456 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.267 15.910 -2.109 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.317 17.617 0.110 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.276 17.656 -2.704 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.184 18.689 -1.617 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -2.534 20.114 -2.477 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.920 19.684 -0.893 1.00 73.32 H new ATOM 0 HD2 LYS A 20 0.003 19.400 -2.077 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -0.650 17.784 -2.266 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -0.006 18.270 -4.444 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -1.698 18.721 -4.488 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 0.147 20.308 -5.364 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -1.217 20.922 -4.560 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 0.257 20.764 -3.732 1.00 71.41 H new ATOM 452 N ALA A 21 -5.173 16.022 -0.434 1.00 70.25 N ATOM 453 CA ALA A 21 -6.477 15.653 0.113 1.00 31.14 C ATOM 454 C ALA A 21 -6.410 14.843 1.419 1.00 31.42 C ATOM 455 O ALA A 21 -7.195 15.130 2.321 1.00 52.22 O ATOM 456 CB ALA A 21 -7.291 14.905 -0.952 1.00 4.31 C ATOM 0 H ALA A 21 -4.955 15.539 -1.306 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.974 16.585 0.381 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -8.263 14.631 -0.541 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.432 15.548 -1.820 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.757 14.003 -1.252 1.00 4.31 H new ATOM 462 N ILE A 22 -5.476 13.876 1.515 1.00 64.42 N ATOM 463 CA ILE A 22 -5.272 13.067 2.725 1.00 53.33 C ATOM 464 C ILE A 22 -4.426 13.768 3.818 1.00 74.23 C ATOM 465 O ILE A 22 -4.347 13.241 4.928 1.00 51.23 O ATOM 466 CB ILE A 22 -4.704 11.646 2.430 1.00 34.13 C ATOM 467 CG1 ILE A 22 -3.264 11.592 1.878 1.00 63.24 C ATOM 468 CG2 ILE A 22 -5.668 10.816 1.558 1.00 10.14 C ATOM 469 CD1 ILE A 22 -2.500 10.342 2.330 1.00 61.52 C ATOM 0 H ILE A 22 -4.843 13.636 0.752 1.00 64.42 H new ATOM 0 HA ILE A 22 -6.279 12.948 3.126 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.628 11.190 3.417 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -3.296 11.618 0.789 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.722 12.480 2.202 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -5.237 9.832 1.374 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -6.621 10.704 2.075 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.829 11.325 0.608 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -1.494 10.359 1.911 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -2.440 10.326 3.418 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -3.023 9.451 1.983 1.00 61.52 H new ATOM 481 N GLY A 23 -3.887 14.966 3.527 1.00 43.03 N ATOM 482 CA GLY A 23 -3.411 15.902 4.546 1.00 24.22 C ATOM 483 C GLY A 23 -1.900 15.842 4.815 1.00 33.24 C ATOM 484 O GLY A 23 -1.475 16.331 5.862 1.00 54.20 O ATOM 0 H GLY A 23 -3.772 15.308 2.573 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.672 16.915 4.240 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -3.941 15.704 5.478 1.00 24.22 H new ATOM 488 N LEU A 24 -1.084 15.286 3.899 1.00 41.30 N ATOM 489 CA LEU A 24 0.386 15.349 3.950 1.00 1.32 C ATOM 490 C LEU A 24 0.867 16.821 3.834 1.00 71.32 C ATOM 491 O LEU A 24 0.264 17.573 3.066 1.00 51.04 O ATOM 492 CB LEU A 24 0.970 14.516 2.775 1.00 61.22 C ATOM 493 CG LEU A 24 1.364 13.055 3.097 1.00 65.05 C ATOM 494 CD1 LEU A 24 2.669 12.959 3.907 1.00 2.04 C ATOM 495 CD2 LEU A 24 0.229 12.195 3.682 1.00 64.15 C ATOM 0 H LEU A 24 -1.435 14.773 3.091 1.00 41.30 H new ATOM 0 HA LEU A 24 0.730 14.943 4.901 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.237 14.502 1.968 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.852 15.032 2.396 1.00 61.22 H new ATOM 0 HG LEU A 24 1.564 12.605 2.125 1.00 65.05 H new ATOM 0 HD11 LEU A 24 2.898 11.912 4.105 1.00 2.04 H new ATOM 0 HD12 LEU A 24 3.484 13.408 3.339 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.551 13.489 4.852 1.00 2.04 H new ATOM 0 HD21 LEU A 24 0.598 11.188 3.876 1.00 64.15 H new ATOM 0 HD22 LEU A 24 -0.120 12.639 4.614 1.00 64.15 H new ATOM 0 HD23 LEU A 24 -0.596 12.148 2.971 1.00 64.15 H new ATOM 507 N PRO A 25 1.939 17.215 4.565 1.00 51.42 N ATOM 508 CA PRO A 25 2.595 18.524 4.357 1.00 64.41 C ATOM 509 C PRO A 25 3.277 18.605 2.979 1.00 52.34 C ATOM 510 O PRO A 25 3.837 17.606 2.527 1.00 25.31 O ATOM 511 CB PRO A 25 3.616 18.602 5.504 1.00 42.32 C ATOM 512 CG PRO A 25 3.955 17.156 5.821 1.00 45.43 C ATOM 513 CD PRO A 25 2.630 16.438 5.597 1.00 10.24 C ATOM 0 HA PRO A 25 1.890 19.355 4.366 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.504 19.160 5.206 1.00 42.32 H new ATOM 0 HB3 PRO A 25 3.197 19.110 6.373 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.738 16.772 5.167 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.309 17.039 6.845 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.790 15.409 5.274 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.045 16.396 6.516 1.00 10.24 H new ATOM 521 N GLU A 26 3.194 19.779 2.325 1.00 15.43 N ATOM 522 CA GLU A 26 3.672 19.964 0.952 1.00 32.41 C ATOM 523 C GLU A 26 5.200 19.832 0.751 1.00 20.45 C ATOM 524 O GLU A 26 5.627 19.599 -0.376 1.00 41.02 O ATOM 525 CB GLU A 26 2.993 21.187 0.292 1.00 40.32 C ATOM 526 CG GLU A 26 3.301 21.337 -1.212 1.00 11.11 C ATOM 527 CD GLU A 26 2.319 22.246 -1.946 1.00 71.15 C ATOM 528 OE1 GLU A 26 2.515 23.479 -1.881 1.00 30.22 O ATOM 529 OE2 GLU A 26 1.396 21.685 -2.578 1.00 51.31 O1- ATOM 0 H GLU A 26 2.793 20.622 2.737 1.00 15.43 H new ATOM 0 HA GLU A 26 3.338 19.097 0.383 1.00 32.41 H new ATOM 0 HB2 GLU A 26 1.914 21.107 0.426 1.00 40.32 H new ATOM 0 HB3 GLU A 26 3.312 22.091 0.810 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.309 21.734 -1.331 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.289 20.351 -1.677 1.00 11.11 H new ATOM 536 N GLU A 27 5.988 19.857 1.843 1.00 72.42 N ATOM 537 CA GLU A 27 7.392 19.430 1.868 1.00 12.31 C ATOM 538 C GLU A 27 7.573 17.965 1.420 1.00 42.50 C ATOM 539 O GLU A 27 8.350 17.708 0.499 1.00 21.24 O ATOM 540 CB GLU A 27 7.972 19.682 3.277 1.00 3.21 C ATOM 541 CG GLU A 27 9.415 19.176 3.487 1.00 35.22 C ATOM 542 CD GLU A 27 9.918 19.484 4.895 1.00 64.24 C ATOM 543 OE1 GLU A 27 9.543 18.720 5.811 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.668 20.475 5.025 1.00 2.32 O1- ATOM 0 H GLU A 27 5.655 20.183 2.750 1.00 72.42 H new ATOM 0 HA GLU A 27 7.948 20.024 1.143 1.00 12.31 H new ATOM 0 HB2 GLU A 27 7.945 20.753 3.479 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.324 19.203 4.011 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.453 18.101 3.313 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.075 19.641 2.754 1.00 35.22 H new ATOM 551 N LEU A 28 6.822 17.051 2.063 1.00 51.31 N ATOM 552 CA LEU A 28 6.782 15.618 1.763 1.00 65.54 C ATOM 553 C LEU A 28 6.174 15.313 0.383 1.00 32.34 C ATOM 554 O LEU A 28 6.516 14.281 -0.194 1.00 40.54 O ATOM 555 CB LEU A 28 6.020 14.852 2.873 1.00 15.54 C ATOM 556 CG LEU A 28 6.887 14.416 4.077 1.00 40.12 C ATOM 557 CD1 LEU A 28 7.526 15.585 4.853 1.00 40.45 C ATOM 558 CD2 LEU A 28 6.091 13.498 5.020 1.00 71.15 C ATOM 0 H LEU A 28 6.205 17.306 2.834 1.00 51.31 H new ATOM 0 HA LEU A 28 7.816 15.274 1.734 1.00 65.54 H new ATOM 0 HB2 LEU A 28 5.209 15.482 3.238 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.562 13.966 2.434 1.00 15.54 H new ATOM 0 HG LEU A 28 7.722 13.858 3.652 1.00 40.12 H new ATOM 0 HD11 LEU A 28 8.117 15.193 5.681 1.00 40.45 H new ATOM 0 HD12 LEU A 28 8.171 16.156 4.185 1.00 40.45 H new ATOM 0 HD13 LEU A 28 6.742 16.235 5.243 1.00 40.45 H new ATOM 0 HD21 LEU A 28 6.721 13.204 5.859 1.00 71.15 H new ATOM 0 HD22 LEU A 28 5.216 14.030 5.392 1.00 71.15 H new ATOM 0 HD23 LEU A 28 5.771 12.608 4.477 1.00 71.15 H new ATOM 570 N ILE A 29 5.308 16.206 -0.123 1.00 13.23 N ATOM 571 CA ILE A 29 4.674 16.073 -1.431 1.00 61.03 C ATOM 572 C ILE A 29 5.635 16.485 -2.558 1.00 61.24 C ATOM 573 O ILE A 29 5.759 15.718 -3.506 1.00 44.33 O ATOM 574 CB ILE A 29 3.357 16.888 -1.546 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.345 16.423 -0.477 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.694 16.844 -2.943 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.249 17.444 -0.162 1.00 23.43 C ATOM 0 H ILE A 29 5.029 17.050 0.377 1.00 13.23 H new ATOM 0 HA ILE A 29 4.422 15.018 -1.537 1.00 61.03 H new ATOM 0 HB ILE A 29 3.644 17.926 -1.380 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.878 15.498 -0.814 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.885 16.192 0.441 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.781 17.440 -2.931 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.382 17.249 -3.685 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.451 15.813 -3.198 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.581 17.038 0.598 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.703 18.363 0.208 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.681 17.659 -1.067 1.00 23.43 H new ATOM 589 N GLN A 30 6.320 17.639 -2.438 1.00 73.04 N ATOM 590 CA GLN A 30 7.271 18.114 -3.450 1.00 71.00 C ATOM 591 C GLN A 30 8.506 17.217 -3.606 1.00 2.13 C ATOM 592 O GLN A 30 8.909 16.970 -4.740 1.00 63.11 O ATOM 593 CB GLN A 30 7.679 19.591 -3.219 1.00 31.43 C ATOM 594 CG GLN A 30 6.585 20.667 -3.420 1.00 43.50 C ATOM 595 CD GLN A 30 5.617 20.393 -4.573 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.005 20.430 -5.738 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.361 20.091 -4.246 1.00 51.30 N ATOM 0 H GLN A 30 6.227 18.264 -1.637 1.00 73.04 H new ATOM 0 HA GLN A 30 6.732 18.056 -4.396 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.059 19.681 -2.201 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.507 19.822 -3.890 1.00 31.43 H new ATOM 0 HG2 GLN A 30 6.012 20.758 -2.497 1.00 43.50 H new ATOM 0 HG3 GLN A 30 7.069 21.629 -3.591 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.080 20.071 -3.266 1.00 51.30 H new ATOM 0 HE22 GLN A 30 3.681 19.879 -4.976 1.00 51.30 H new ATOM 606 N LYS A 31 9.046 16.694 -2.491 1.00 15.24 N ATOM 607 CA LYS A 31 10.121 15.699 -2.524 1.00 32.41 C ATOM 608 C LYS A 31 9.604 14.283 -2.852 1.00 15.54 C ATOM 609 O LYS A 31 10.413 13.442 -3.223 1.00 25.33 O ATOM 610 CB LYS A 31 10.948 15.775 -1.218 1.00 61.25 C ATOM 611 CG LYS A 31 10.329 15.159 0.053 1.00 25.12 C ATOM 612 CD LYS A 31 10.703 13.682 0.299 1.00 14.14 C ATOM 613 CE LYS A 31 10.387 13.196 1.721 1.00 54.24 C ATOM 614 NZ LYS A 31 11.247 13.849 2.725 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.749 16.950 -1.550 1.00 15.24 H new ATOM 0 HA LYS A 31 10.794 15.938 -3.347 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.905 15.286 -1.397 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.160 16.825 -1.014 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.642 15.748 0.915 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.244 15.239 -0.012 1.00 25.12 H new ATOM 0 HD2 LYS A 31 10.169 13.057 -0.417 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.768 13.549 0.107 1.00 14.14 H new ATOM 0 HE2 LYS A 31 9.341 13.399 1.951 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.521 12.116 1.774 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 11.164 13.347 3.632 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 12.236 13.824 2.404 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 10.948 14.838 2.848 1.00 12.45 H new ATOM 628 N GLY A 32 8.287 14.039 -2.729 1.00 25.23 N ATOM 629 CA GLY A 32 7.665 12.752 -3.038 1.00 2.20 C ATOM 630 C GLY A 32 7.353 12.627 -4.538 1.00 32.41 C ATOM 631 O GLY A 32 7.516 11.541 -5.092 1.00 51.50 O ATOM 0 H GLY A 32 7.622 14.743 -2.408 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.329 11.943 -2.734 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.745 12.643 -2.463 1.00 2.20 H new ATOM 635 N LYS A 33 6.921 13.725 -5.191 1.00 23.43 N ATOM 636 CA LYS A 33 6.670 13.787 -6.634 1.00 13.23 C ATOM 637 C LYS A 33 7.937 14.011 -7.468 1.00 61.53 C ATOM 638 O LYS A 33 7.950 13.589 -8.624 1.00 51.30 O ATOM 639 CB LYS A 33 5.544 14.794 -6.975 1.00 51.13 C ATOM 640 CG LYS A 33 5.764 16.257 -6.542 1.00 0.44 C ATOM 641 CD LYS A 33 5.722 17.293 -7.674 1.00 73.42 C ATOM 642 CE LYS A 33 6.972 17.276 -8.564 1.00 35.11 C ATOM 643 NZ LYS A 33 6.954 18.389 -9.527 1.00 72.55 N1+ ATOM 0 H LYS A 33 6.735 14.608 -4.715 1.00 23.43 H new ATOM 0 HA LYS A 33 6.315 12.798 -6.923 1.00 13.23 H new ATOM 0 HB2 LYS A 33 5.390 14.779 -8.054 1.00 51.13 H new ATOM 0 HB3 LYS A 33 4.621 14.439 -6.516 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.004 16.518 -5.805 1.00 0.44 H new ATOM 0 HG3 LYS A 33 6.730 16.329 -6.043 1.00 0.44 H new ATOM 0 HD2 LYS A 33 4.843 17.109 -8.292 1.00 73.42 H new ATOM 0 HD3 LYS A 33 5.606 18.287 -7.242 1.00 73.42 H new ATOM 0 HE2 LYS A 33 7.865 17.343 -7.943 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.027 16.329 -9.100 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 7.811 18.353 -10.115 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.113 18.309 -10.134 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 6.925 19.293 -9.013 1.00 72.55 H new ATOM 657 N ASP A 34 8.970 14.642 -6.883 1.00 50.54 N ATOM 658 CA ASP A 34 10.248 14.888 -7.547 1.00 73.22 C ATOM 659 C ASP A 34 11.167 13.660 -7.409 1.00 31.32 C ATOM 660 O ASP A 34 11.519 13.058 -8.423 1.00 61.12 O ATOM 661 CB ASP A 34 10.924 16.179 -7.033 1.00 22.05 C ATOM 662 CG ASP A 34 12.135 16.607 -7.864 1.00 5.32 C ATOM 663 OD1 ASP A 34 11.945 16.800 -9.085 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.209 16.793 -7.255 1.00 3.34 O1- ATOM 0 H ASP A 34 8.934 14.996 -5.927 1.00 50.54 H new ATOM 0 HA ASP A 34 10.055 15.046 -8.608 1.00 73.22 H new ATOM 0 HB2 ASP A 34 10.192 16.986 -7.030 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.237 16.029 -6.000 1.00 22.05 H new ATOM 669 N ILE A 35 11.535 13.313 -6.162 1.00 12.23 N ATOM 670 CA ILE A 35 12.473 12.232 -5.860 1.00 41.32 C ATOM 671 C ILE A 35 11.700 10.902 -5.803 1.00 25.42 C ATOM 672 O ILE A 35 10.798 10.754 -4.976 1.00 2.34 O ATOM 673 CB ILE A 35 13.213 12.433 -4.496 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.814 13.853 -4.352 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.299 11.361 -4.250 1.00 41.45 C ATOM 676 CD1 ILE A 35 14.315 14.178 -2.937 1.00 5.42 C ATOM 0 H ILE A 35 11.181 13.785 -5.330 1.00 12.23 H new ATOM 0 HA ILE A 35 13.226 12.228 -6.648 1.00 41.32 H new ATOM 0 HB ILE A 35 12.448 12.315 -3.729 1.00 45.03 H new ATOM 0 HG12 ILE A 35 14.642 13.959 -5.053 1.00 53.41 H new ATOM 0 HG13 ILE A 35 13.060 14.586 -4.637 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.782 11.546 -3.291 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.839 10.373 -4.240 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.043 11.407 -5.046 1.00 41.45 H new ATOM 0 HD11 ILE A 35 14.721 15.189 -2.918 1.00 5.42 H new ATOM 0 HD12 ILE A 35 13.487 14.106 -2.232 1.00 5.42 H new ATOM 0 HD13 ILE A 35 15.094 13.469 -2.655 1.00 5.42 H new ATOM 688 N LYS A 36 12.084 9.955 -6.677 1.00 22.42 N ATOM 689 CA LYS A 36 11.582 8.581 -6.669 1.00 71.21 C ATOM 690 C LYS A 36 12.031 7.829 -5.406 1.00 4.44 C ATOM 691 O LYS A 36 13.227 7.781 -5.114 1.00 43.34 O ATOM 692 CB LYS A 36 12.034 7.832 -7.945 1.00 63.15 C ATOM 693 CG LYS A 36 11.021 7.848 -9.103 1.00 0.11 C ATOM 694 CD LYS A 36 10.819 9.204 -9.788 1.00 54.43 C ATOM 695 CE LYS A 36 9.844 9.085 -10.972 1.00 3.34 C ATOM 696 NZ LYS A 36 9.716 10.359 -11.697 1.00 51.25 N1+ ATOM 0 H LYS A 36 12.763 10.132 -7.418 1.00 22.42 H new ATOM 0 HA LYS A 36 10.493 8.621 -6.659 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.969 8.271 -8.294 1.00 63.15 H new ATOM 0 HB3 LYS A 36 12.247 6.796 -7.683 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.343 7.126 -9.854 1.00 0.11 H new ATOM 0 HG3 LYS A 36 10.058 7.505 -8.724 1.00 0.11 H new ATOM 0 HD2 LYS A 36 10.435 9.926 -9.067 1.00 54.43 H new ATOM 0 HD3 LYS A 36 11.778 9.584 -10.139 1.00 54.43 H new ATOM 0 HE2 LYS A 36 10.193 8.310 -11.655 1.00 3.34 H new ATOM 0 HE3 LYS A 36 8.865 8.772 -10.608 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 9.051 10.243 -12.488 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 9.360 11.092 -11.051 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 10.646 10.644 -12.065 1.00 51.25 H new ATOM 710 N GLY A 37 11.051 7.236 -4.710 1.00 2.05 N ATOM 711 CA GLY A 37 11.275 6.383 -3.547 1.00 32.21 C ATOM 712 C GLY A 37 11.608 4.949 -3.986 1.00 11.23 C ATOM 713 O GLY A 37 11.799 4.653 -5.168 1.00 34.23 O ATOM 0 H GLY A 37 10.065 7.341 -4.948 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.091 6.784 -2.946 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.387 6.379 -2.915 1.00 32.21 H new ATOM 717 N VAL A 38 11.677 4.057 -2.993 1.00 23.15 N ATOM 718 CA VAL A 38 11.879 2.619 -3.154 1.00 73.42 C ATOM 719 C VAL A 38 10.922 1.907 -2.177 1.00 44.22 C ATOM 720 O VAL A 38 10.545 2.482 -1.162 1.00 3.40 O ATOM 721 CB VAL A 38 13.357 2.217 -2.850 1.00 61.42 C ATOM 722 CG1 VAL A 38 13.637 0.702 -2.912 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.356 2.941 -3.773 1.00 41.14 C ATOM 0 H VAL A 38 11.590 4.332 -2.015 1.00 23.15 H new ATOM 0 HA VAL A 38 11.673 2.328 -4.184 1.00 73.42 H new ATOM 0 HB VAL A 38 13.501 2.533 -1.817 1.00 61.42 H new ATOM 0 HG11 VAL A 38 14.687 0.517 -2.688 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.013 0.187 -2.182 1.00 1.10 H new ATOM 0 HG13 VAL A 38 13.408 0.330 -3.911 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.371 2.631 -3.525 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.142 2.687 -4.811 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.263 4.018 -3.636 1.00 41.14 H new ATOM 733 N SER A 39 10.516 0.677 -2.496 1.00 55.12 N ATOM 734 CA SER A 39 9.676 -0.159 -1.642 1.00 32.20 C ATOM 735 C SER A 39 10.237 -1.583 -1.627 1.00 25.20 C ATOM 736 O SER A 39 10.912 -1.979 -2.572 1.00 12.25 O ATOM 737 CB SER A 39 8.228 -0.131 -2.167 1.00 61.43 C ATOM 738 OG SER A 39 7.610 1.094 -1.828 1.00 30.44 O ATOM 0 H SER A 39 10.769 0.226 -3.375 1.00 55.12 H new ATOM 0 HA SER A 39 9.674 0.220 -0.620 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.223 -0.262 -3.249 1.00 61.43 H new ATOM 0 HB3 SER A 39 7.663 -0.961 -1.743 1.00 61.43 H new ATOM 0 HG SER A 39 6.691 1.102 -2.168 1.00 30.44 H new ATOM 744 N GLU A 40 9.939 -2.338 -0.563 1.00 0.52 N ATOM 745 CA GLU A 40 10.331 -3.737 -0.447 1.00 41.33 C ATOM 746 C GLU A 40 9.166 -4.538 0.126 1.00 33.01 C ATOM 747 O GLU A 40 8.462 -4.058 1.012 1.00 10.34 O ATOM 748 CB GLU A 40 11.632 -3.859 0.373 1.00 3.20 C ATOM 749 CG GLU A 40 12.231 -5.281 0.406 1.00 1.11 C ATOM 750 CD GLU A 40 13.575 -5.371 1.137 1.00 53.23 C ATOM 751 OE1 GLU A 40 13.913 -4.421 1.874 1.00 2.42 O ATOM 752 OE2 GLU A 40 14.251 -6.400 0.926 1.00 22.13 O1- ATOM 0 H GLU A 40 9.417 -1.989 0.241 1.00 0.52 H new ATOM 0 HA GLU A 40 10.555 -4.158 -1.427 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.373 -3.175 -0.040 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.435 -3.537 1.395 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.521 -5.953 0.888 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.360 -5.634 -0.617 1.00 1.11 H new ATOM 759 N ILE A 41 8.989 -5.745 -0.421 1.00 21.23 N ATOM 760 CA ILE A 41 7.944 -6.676 -0.029 1.00 11.11 C ATOM 761 C ILE A 41 8.626 -7.990 0.378 1.00 1.33 C ATOM 762 O ILE A 41 9.453 -8.505 -0.376 1.00 2.42 O ATOM 763 CB ILE A 41 6.968 -6.960 -1.201 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.254 -5.678 -1.698 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.940 -8.043 -0.835 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.516 -5.855 -3.037 1.00 72.04 C ATOM 0 H ILE A 41 9.587 -6.103 -1.166 1.00 21.23 H new ATOM 0 HA ILE A 41 7.368 -6.246 0.791 1.00 11.11 H new ATOM 0 HB ILE A 41 7.579 -7.334 -2.023 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.540 -5.355 -0.941 1.00 73.42 H new ATOM 0 HG13 ILE A 41 6.990 -4.881 -1.803 1.00 73.42 H new ATOM 0 HG21 ILE A 41 5.274 -8.214 -1.681 1.00 42.00 H new ATOM 0 HG22 ILE A 41 6.459 -8.969 -0.589 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.356 -7.715 0.025 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.042 -4.915 -3.318 1.00 72.04 H new ATOM 0 HD12 ILE A 41 6.228 -6.147 -3.809 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.755 -6.628 -2.934 1.00 72.04 H new ATOM 778 N VAL A 42 8.260 -8.500 1.563 1.00 51.41 N ATOM 779 CA VAL A 42 8.824 -9.722 2.124 1.00 23.01 C ATOM 780 C VAL A 42 7.663 -10.587 2.650 1.00 3.20 C ATOM 781 O VAL A 42 7.250 -10.446 3.801 1.00 70.04 O ATOM 782 CB VAL A 42 9.855 -9.418 3.258 1.00 64.41 C ATOM 783 CG1 VAL A 42 10.462 -10.686 3.893 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.989 -8.488 2.781 1.00 14.34 C ATOM 0 H VAL A 42 7.556 -8.066 2.160 1.00 51.41 H new ATOM 0 HA VAL A 42 9.371 -10.258 1.348 1.00 23.01 H new ATOM 0 HB VAL A 42 9.276 -8.907 4.028 1.00 64.41 H new ATOM 0 HG11 VAL A 42 11.169 -10.400 4.672 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.667 -11.291 4.329 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.980 -11.264 3.128 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.680 -8.306 3.604 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.523 -8.959 1.956 1.00 14.34 H new ATOM 0 HG23 VAL A 42 10.566 -7.541 2.446 1.00 14.34 H new ATOM 794 N GLN A 43 7.138 -11.461 1.776 1.00 45.20 N ATOM 795 CA GLN A 43 6.126 -12.457 2.132 1.00 44.04 C ATOM 796 C GLN A 43 6.766 -13.601 2.938 1.00 71.32 C ATOM 797 O GLN A 43 7.850 -14.061 2.577 1.00 74.35 O ATOM 798 CB GLN A 43 5.436 -12.957 0.840 1.00 3.31 C ATOM 799 CG GLN A 43 4.300 -13.993 1.028 1.00 64.03 C ATOM 800 CD GLN A 43 3.119 -13.484 1.860 1.00 22.32 C ATOM 801 OE1 GLN A 43 2.915 -12.285 1.997 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.316 -14.387 2.418 1.00 42.23 N ATOM 0 H GLN A 43 7.410 -11.493 0.793 1.00 45.20 H new ATOM 0 HA GLN A 43 5.363 -12.012 2.771 1.00 44.04 H new ATOM 0 HB2 GLN A 43 5.029 -12.094 0.313 1.00 3.31 H new ATOM 0 HB3 GLN A 43 6.196 -13.396 0.193 1.00 3.31 H new ATOM 0 HG2 GLN A 43 3.935 -14.297 0.047 1.00 64.03 H new ATOM 0 HG3 GLN A 43 4.710 -14.883 1.506 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.502 -15.382 2.293 1.00 42.23 H new ATOM 0 HE22 GLN A 43 1.514 -14.084 2.971 1.00 42.23 H new ATOM 811 N ASN A 44 6.083 -14.028 4.011 1.00 2.11 N ATOM 812 CA ASN A 44 6.578 -15.026 4.957 1.00 73.01 C ATOM 813 C ASN A 44 5.395 -15.808 5.559 1.00 14.21 C ATOM 814 O ASN A 44 4.887 -15.457 6.622 1.00 13.54 O ATOM 815 CB ASN A 44 7.563 -14.381 5.979 1.00 31.31 C ATOM 816 CG ASN A 44 7.012 -13.276 6.897 1.00 43.35 C ATOM 817 OD1 ASN A 44 6.767 -13.523 8.075 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.845 -12.052 6.387 1.00 60.41 N ATOM 0 H ASN A 44 5.154 -13.679 4.245 1.00 2.11 H new ATOM 0 HA ASN A 44 7.183 -15.777 4.449 1.00 73.01 H new ATOM 0 HB2 ASN A 44 7.960 -15.176 6.610 1.00 31.31 H new ATOM 0 HB3 ASN A 44 8.403 -13.967 5.421 1.00 31.31 H new ATOM 0 HD21 ASN A 44 6.506 -11.294 6.980 1.00 60.41 H new ATOM 0 HD22 ASN A 44 7.056 -11.876 5.405 1.00 60.41 H new ATOM 825 N GLY A 45 4.965 -16.873 4.858 1.00 43.22 N ATOM 826 CA GLY A 45 3.883 -17.754 5.301 1.00 0.52 C ATOM 827 C GLY A 45 2.534 -17.065 5.069 1.00 45.51 C ATOM 828 O GLY A 45 2.151 -16.848 3.921 1.00 72.23 O ATOM 0 H GLY A 45 5.367 -17.144 3.960 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.921 -18.696 4.755 1.00 0.52 H new ATOM 0 HA3 GLY A 45 4.004 -17.993 6.358 1.00 0.52 H new ATOM 832 N LYS A 46 1.821 -16.748 6.162 1.00 30.04 N ATOM 833 CA LYS A 46 0.577 -15.968 6.159 1.00 51.45 C ATOM 834 C LYS A 46 0.845 -14.454 6.341 1.00 0.32 C ATOM 835 O LYS A 46 -0.048 -13.653 6.062 1.00 74.42 O ATOM 836 CB LYS A 46 -0.351 -16.534 7.264 1.00 21.31 C ATOM 837 CG LYS A 46 -1.809 -16.018 7.271 1.00 1.33 C ATOM 838 CD LYS A 46 -2.661 -16.431 6.053 1.00 73.32 C ATOM 839 CE LYS A 46 -3.028 -17.922 5.993 1.00 1.34 C ATOM 840 NZ LYS A 46 -3.909 -18.310 7.110 1.00 43.32 N1+ ATOM 0 H LYS A 46 2.104 -17.037 7.098 1.00 30.04 H new ATOM 0 HA LYS A 46 0.086 -16.063 5.190 1.00 51.45 H new ATOM 0 HB2 LYS A 46 -0.374 -17.620 7.168 1.00 21.31 H new ATOM 0 HB3 LYS A 46 0.095 -16.309 8.233 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -2.300 -16.378 8.175 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.791 -14.930 7.329 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -3.581 -15.846 6.057 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.120 -16.169 5.144 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -3.524 -18.137 5.046 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -2.119 -18.522 6.021 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -4.245 -19.283 6.965 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -3.380 -18.256 8.004 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -4.724 -17.665 7.150 1.00 43.32 H new ATOM 854 N HIS A 47 2.057 -14.085 6.793 1.00 24.14 N ATOM 855 CA HIS A 47 2.491 -12.706 7.022 1.00 22.41 C ATOM 856 C HIS A 47 3.056 -12.048 5.751 1.00 14.04 C ATOM 857 O HIS A 47 3.694 -12.727 4.950 1.00 43.50 O ATOM 858 CB HIS A 47 3.550 -12.690 8.146 1.00 50.02 C ATOM 859 CG HIS A 47 3.033 -12.380 9.524 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.403 -11.189 9.829 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.088 -13.085 10.706 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.145 -11.204 11.139 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.522 -12.329 11.734 1.00 65.34 N ATOM 0 H HIS A 47 2.782 -14.767 7.015 1.00 24.14 H new ATOM 0 HA HIS A 47 1.618 -12.124 7.316 1.00 22.41 H new ATOM 0 HB2 HIS A 47 4.040 -13.663 8.172 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.313 -11.955 7.890 1.00 50.02 H new ATOM 0 HD2 HIS A 47 3.506 -14.074 10.820 1.00 74.35 H new ATOM 0 HE1 HIS A 47 1.677 -10.383 11.662 1.00 74.35 H new ATOM 0 HE2 HIS A 47 2.421 -12.583 12.717 1.00 65.34 H new ATOM 871 N PHE A 48 2.852 -10.726 5.636 1.00 64.22 N ATOM 872 CA PHE A 48 3.356 -9.872 4.558 1.00 21.45 C ATOM 873 C PHE A 48 3.964 -8.620 5.197 1.00 13.42 C ATOM 874 O PHE A 48 3.229 -7.855 5.821 1.00 2.42 O ATOM 875 CB PHE A 48 2.176 -9.504 3.631 1.00 52.14 C ATOM 876 CG PHE A 48 2.457 -8.639 2.400 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.743 -7.258 2.512 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.479 -9.220 1.116 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.974 -6.495 1.375 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.736 -8.447 -0.004 1.00 52.34 C ATOM 881 CZ PHE A 48 2.956 -7.082 0.121 1.00 60.00 C ATOM 0 H PHE A 48 2.308 -10.205 6.323 1.00 64.22 H new ATOM 0 HA PHE A 48 4.118 -10.378 3.965 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.723 -10.433 3.287 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.428 -8.989 4.234 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.782 -6.795 3.487 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.294 -10.278 1.005 1.00 65.05 H new ATOM 0 HE1 PHE A 48 3.169 -5.437 1.469 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.765 -8.909 -0.980 1.00 52.34 H new ATOM 0 HZ PHE A 48 3.113 -6.478 -0.760 1.00 60.00 H new ATOM 891 N LYS A 49 5.268 -8.407 4.975 1.00 3.35 N ATOM 892 CA LYS A 49 5.984 -7.169 5.292 1.00 52.41 C ATOM 893 C LYS A 49 5.861 -6.210 4.092 1.00 72.32 C ATOM 894 O LYS A 49 6.115 -6.639 2.965 1.00 11.52 O ATOM 895 CB LYS A 49 7.469 -7.520 5.569 1.00 41.21 C ATOM 896 CG LYS A 49 7.981 -7.249 6.987 1.00 22.14 C ATOM 897 CD LYS A 49 8.185 -5.764 7.322 1.00 12.30 C ATOM 898 CE LYS A 49 8.891 -5.554 8.670 1.00 43.24 C ATOM 899 NZ LYS A 49 10.282 -6.044 8.641 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.871 -9.116 4.556 1.00 3.35 H new ATOM 0 HA LYS A 49 5.564 -6.684 6.173 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.617 -8.577 5.349 1.00 41.21 H new ATOM 0 HB3 LYS A 49 8.089 -6.959 4.869 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.276 -7.675 7.701 1.00 22.14 H new ATOM 0 HG3 LYS A 49 8.928 -7.772 7.123 1.00 22.14 H new ATOM 0 HD2 LYS A 49 8.771 -5.294 6.532 1.00 12.30 H new ATOM 0 HD3 LYS A 49 7.217 -5.263 7.341 1.00 12.30 H new ATOM 0 HE2 LYS A 49 8.884 -4.494 8.923 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.339 -6.072 9.454 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 10.800 -5.666 9.459 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.285 -7.083 8.679 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 10.743 -5.729 7.764 1.00 54.54 H new ATOM 913 N PHE A 50 5.502 -4.944 4.355 1.00 44.13 N ATOM 914 CA PHE A 50 5.436 -3.872 3.358 1.00 1.25 C ATOM 915 C PHE A 50 6.315 -2.736 3.894 1.00 11.43 C ATOM 916 O PHE A 50 5.929 -2.075 4.857 1.00 12.42 O ATOM 917 CB PHE A 50 3.964 -3.409 3.182 1.00 51.44 C ATOM 918 CG PHE A 50 3.605 -2.719 1.864 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.544 -1.971 1.112 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.254 -2.696 1.456 1.00 72.15 C ATOM 921 CE1 PHE A 50 4.148 -1.294 -0.034 1.00 21.11 C ATOM 922 CE2 PHE A 50 1.875 -2.013 0.307 1.00 61.23 C ATOM 923 CZ PHE A 50 2.820 -1.319 -0.439 1.00 22.42 C ATOM 0 H PHE A 50 5.244 -4.633 5.291 1.00 44.13 H new ATOM 0 HA PHE A 50 5.788 -4.200 2.380 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.319 -4.281 3.295 1.00 51.44 H new ATOM 0 HB3 PHE A 50 3.724 -2.727 3.998 1.00 51.44 H new ATOM 0 HD1 PHE A 50 5.575 -1.927 1.432 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.509 -3.214 2.042 1.00 72.15 H new ATOM 0 HE1 PHE A 50 4.876 -0.746 -0.613 1.00 21.11 H new ATOM 0 HE2 PHE A 50 0.842 -2.021 -0.008 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.521 -0.798 -1.336 1.00 22.42 H new ATOM 933 N THR A 51 7.464 -2.525 3.242 1.00 53.25 N ATOM 934 CA THR A 51 8.395 -1.433 3.511 1.00 42.45 C ATOM 935 C THR A 51 8.295 -0.382 2.388 1.00 21.42 C ATOM 936 O THR A 51 8.142 -0.756 1.226 1.00 40.20 O ATOM 937 CB THR A 51 9.852 -1.961 3.546 1.00 72.25 C ATOM 938 OG1 THR A 51 9.975 -2.956 4.542 1.00 1.10 O ATOM 939 CG2 THR A 51 10.942 -0.907 3.804 1.00 30.11 C ATOM 0 H THR A 51 7.779 -3.134 2.486 1.00 53.25 H new ATOM 0 HA THR A 51 8.138 -0.993 4.475 1.00 42.45 H new ATOM 0 HB THR A 51 10.023 -2.342 2.539 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.897 -3.289 4.560 1.00 1.10 H new ATOM 0 HG21 THR A 51 11.920 -1.388 3.807 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.912 -0.152 3.018 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.768 -0.432 4.770 1.00 30.11 H new ATOM 947 N ILE A 52 8.390 0.903 2.764 1.00 41.33 N ATOM 948 CA ILE A 52 8.367 2.049 1.857 1.00 54.14 C ATOM 949 C ILE A 52 9.443 3.048 2.324 1.00 24.44 C ATOM 950 O ILE A 52 9.257 3.729 3.334 1.00 45.15 O ATOM 951 CB ILE A 52 6.989 2.790 1.822 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.785 1.841 1.598 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.982 3.897 0.742 1.00 55.04 C ATOM 954 CD1 ILE A 52 5.174 1.298 2.903 1.00 33.33 C ATOM 0 H ILE A 52 8.488 1.176 3.742 1.00 41.33 H new ATOM 0 HA ILE A 52 8.553 1.672 0.851 1.00 54.14 H new ATOM 0 HB ILE A 52 6.870 3.236 2.810 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.014 2.372 1.040 1.00 20.40 H new ATOM 0 HG13 ILE A 52 6.105 1.002 0.980 1.00 20.40 H new ATOM 0 HG21 ILE A 52 6.013 4.396 0.739 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.764 4.624 0.961 1.00 55.04 H new ATOM 0 HG23 ILE A 52 7.164 3.452 -0.236 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.337 0.641 2.667 1.00 33.33 H new ATOM 0 HD12 ILE A 52 5.930 0.738 3.453 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.822 2.130 3.514 1.00 33.33 H new ATOM 966 N THR A 53 10.537 3.130 1.556 1.00 22.12 N ATOM 967 CA THR A 53 11.581 4.149 1.668 1.00 13.34 C ATOM 968 C THR A 53 11.187 5.371 0.811 1.00 63.33 C ATOM 969 O THR A 53 10.799 5.201 -0.345 1.00 3.11 O ATOM 970 CB THR A 53 12.934 3.600 1.142 1.00 54.14 C ATOM 971 OG1 THR A 53 13.319 2.485 1.921 1.00 44.35 O ATOM 972 CG2 THR A 53 14.102 4.606 1.139 1.00 4.54 C ATOM 0 H THR A 53 10.724 2.460 0.810 1.00 22.12 H new ATOM 0 HA THR A 53 11.686 4.428 2.716 1.00 13.34 H new ATOM 0 HB THR A 53 12.748 3.344 0.099 1.00 54.14 H new ATOM 0 HG1 THR A 53 14.172 2.134 1.591 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.999 4.121 0.753 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.848 5.456 0.506 1.00 4.54 H new ATOM 0 HG23 THR A 53 14.286 4.953 2.156 1.00 4.54 H new ATOM 980 N ALA A 54 11.284 6.579 1.382 1.00 2.35 N ATOM 981 CA ALA A 54 10.848 7.812 0.731 1.00 30.14 C ATOM 982 C ALA A 54 11.688 8.995 1.221 1.00 24.35 C ATOM 983 O ALA A 54 11.578 9.374 2.387 1.00 5.40 O ATOM 984 CB ALA A 54 9.349 8.030 1.004 1.00 75.44 C ATOM 0 H ALA A 54 11.670 6.724 2.315 1.00 2.35 H new ATOM 0 HA ALA A 54 10.993 7.732 -0.346 1.00 30.14 H new ATOM 0 HB1 ALA A 54 9.021 8.950 0.519 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.781 7.188 0.608 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.182 8.107 2.078 1.00 75.44 H new ATOM 990 N GLY A 55 12.499 9.569 0.315 1.00 72.42 N ATOM 991 CA GLY A 55 13.376 10.708 0.589 1.00 34.33 C ATOM 992 C GLY A 55 14.599 10.238 1.383 1.00 33.32 C ATOM 993 O GLY A 55 15.630 9.926 0.792 1.00 61.42 O ATOM 0 H GLY A 55 12.560 9.242 -0.649 1.00 72.42 H new ATOM 0 HA2 GLY A 55 13.693 11.169 -0.347 1.00 34.33 H new ATOM 0 HA3 GLY A 55 12.835 11.469 1.152 1.00 34.33 H new ATOM 997 N SER A 56 14.465 10.200 2.719 1.00 24.25 N ATOM 998 CA SER A 56 15.497 9.743 3.655 1.00 51.21 C ATOM 999 C SER A 56 14.880 9.128 4.935 1.00 11.32 C ATOM 1000 O SER A 56 15.561 9.054 5.958 1.00 13.10 O ATOM 1001 CB SER A 56 16.495 10.898 3.917 1.00 20.12 C ATOM 1002 OG SER A 56 17.639 10.468 4.625 1.00 2.14 O ATOM 0 H SER A 56 13.609 10.496 3.188 1.00 24.25 H new ATOM 0 HA SER A 56 16.065 8.925 3.212 1.00 51.21 H new ATOM 0 HB2 SER A 56 16.801 11.333 2.966 1.00 20.12 H new ATOM 0 HB3 SER A 56 15.996 11.685 4.482 1.00 20.12 H new ATOM 0 HG SER A 56 17.371 9.841 5.329 1.00 2.14 H new ATOM 1008 N LYS A 57 13.613 8.683 4.861 1.00 73.31 N ATOM 1009 CA LYS A 57 12.888 7.997 5.935 1.00 20.53 C ATOM 1010 C LYS A 57 12.264 6.702 5.397 1.00 63.12 C ATOM 1011 O LYS A 57 11.907 6.644 4.219 1.00 14.45 O ATOM 1012 CB LYS A 57 11.820 8.935 6.546 1.00 73.21 C ATOM 1013 CG LYS A 57 10.844 9.573 5.532 1.00 2.02 C ATOM 1014 CD LYS A 57 9.514 10.040 6.149 1.00 74.54 C ATOM 1015 CE LYS A 57 8.481 8.913 6.306 1.00 51.10 C ATOM 1016 NZ LYS A 57 8.035 8.403 4.997 1.00 41.34 N1+ ATOM 0 H LYS A 57 13.049 8.798 4.019 1.00 73.31 H new ATOM 0 HA LYS A 57 13.584 7.731 6.730 1.00 20.53 H new ATOM 0 HB2 LYS A 57 11.241 8.371 7.278 1.00 73.21 H new ATOM 0 HB3 LYS A 57 12.328 9.733 7.088 1.00 73.21 H new ATOM 0 HG2 LYS A 57 11.333 10.426 5.061 1.00 2.02 H new ATOM 0 HG3 LYS A 57 10.633 8.851 4.743 1.00 2.02 H new ATOM 0 HD2 LYS A 57 9.711 10.480 7.127 1.00 74.54 H new ATOM 0 HD3 LYS A 57 9.090 10.827 5.525 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.915 8.099 6.886 1.00 51.10 H new ATOM 0 HE3 LYS A 57 7.622 9.281 6.866 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 7.008 8.536 4.904 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 8.521 8.922 4.238 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 8.261 7.390 4.924 1.00 41.34 H new ATOM 1030 N VAL A 58 12.139 5.693 6.274 1.00 22.24 N ATOM 1031 CA VAL A 58 11.627 4.374 5.916 1.00 72.31 C ATOM 1032 C VAL A 58 10.492 3.984 6.877 1.00 12.04 C ATOM 1033 O VAL A 58 10.739 3.718 8.054 1.00 53.43 O ATOM 1034 CB VAL A 58 12.728 3.273 5.962 1.00 15.54 C ATOM 1035 CG1 VAL A 58 12.214 1.907 5.467 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.977 3.669 5.155 1.00 53.14 C ATOM 0 H VAL A 58 12.394 5.777 7.258 1.00 22.24 H new ATOM 0 HA VAL A 58 11.263 4.439 4.891 1.00 72.31 H new ATOM 0 HB VAL A 58 13.003 3.180 7.013 1.00 15.54 H new ATOM 0 HG11 VAL A 58 13.020 1.175 5.519 1.00 21.52 H new ATOM 0 HG12 VAL A 58 11.385 1.580 6.096 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.873 1.999 4.436 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.717 2.871 5.216 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.701 3.829 4.113 1.00 53.14 H new ATOM 0 HG23 VAL A 58 14.398 4.587 5.564 1.00 53.14 H new ATOM 1046 N ILE A 59 9.270 3.928 6.328 1.00 52.34 N ATOM 1047 CA ILE A 59 8.102 3.316 6.956 1.00 63.31 C ATOM 1048 C ILE A 59 8.140 1.808 6.661 1.00 31.44 C ATOM 1049 O ILE A 59 8.515 1.417 5.557 1.00 30.30 O ATOM 1050 CB ILE A 59 6.779 3.894 6.360 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.627 5.395 6.697 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.487 3.136 6.759 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.752 6.158 5.695 1.00 31.01 C ATOM 0 H ILE A 59 9.067 4.320 5.408 1.00 52.34 H new ATOM 0 HA ILE A 59 8.126 3.521 8.026 1.00 63.31 H new ATOM 0 HB ILE A 59 6.885 3.753 5.284 1.00 40.23 H new ATOM 0 HG12 ILE A 59 6.197 5.494 7.693 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.615 5.855 6.729 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.626 3.616 6.294 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.553 2.102 6.421 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.373 3.157 7.843 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.688 7.205 5.991 1.00 31.01 H new ATOM 0 HD12 ILE A 59 6.193 6.089 4.701 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.753 5.723 5.680 1.00 31.01 H new ATOM 1065 N GLN A 60 7.692 0.998 7.629 1.00 13.05 N ATOM 1066 CA GLN A 60 7.370 -0.404 7.399 1.00 21.24 C ATOM 1067 C GLN A 60 6.267 -0.869 8.348 1.00 24.42 C ATOM 1068 O GLN A 60 6.238 -0.473 9.513 1.00 55.10 O ATOM 1069 CB GLN A 60 8.620 -1.314 7.406 1.00 12.44 C ATOM 1070 CG GLN A 60 9.505 -1.210 8.666 1.00 71.21 C ATOM 1071 CD GLN A 60 10.919 -0.742 8.324 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.697 -1.489 7.734 1.00 22.25 O ATOM 1073 NE2 GLN A 60 11.255 0.496 8.686 1.00 2.35 N ATOM 0 H GLN A 60 7.545 1.302 8.591 1.00 13.05 H new ATOM 0 HA GLN A 60 6.973 -0.494 6.388 1.00 21.24 H new ATOM 0 HB2 GLN A 60 8.296 -2.349 7.294 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.228 -1.074 6.534 1.00 12.44 H new ATOM 0 HG2 GLN A 60 9.052 -0.515 9.373 1.00 71.21 H new ATOM 0 HG3 GLN A 60 9.552 -2.181 9.159 1.00 71.21 H new ATOM 0 HE21 GLN A 60 10.581 1.085 9.174 1.00 2.35 H new ATOM 0 HE22 GLN A 60 12.186 0.854 8.475 1.00 2.35 H new ATOM 1082 N ASN A 61 5.384 -1.707 7.795 1.00 15.02 N ATOM 1083 CA ASN A 61 4.261 -2.353 8.469 1.00 22.04 C ATOM 1084 C ASN A 61 4.293 -3.841 8.111 1.00 12.24 C ATOM 1085 O ASN A 61 4.845 -4.217 7.076 1.00 1.30 O ATOM 1086 CB ASN A 61 2.934 -1.720 7.984 1.00 74.13 C ATOM 1087 CG ASN A 61 2.734 -0.282 8.470 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.482 -0.054 9.650 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.831 0.692 7.562 1.00 71.34 N ATOM 0 H ASN A 61 5.440 -1.965 6.810 1.00 15.02 H new ATOM 0 HA ASN A 61 4.333 -2.224 9.549 1.00 22.04 H new ATOM 0 HB2 ASN A 61 2.910 -1.734 6.894 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.101 -2.332 8.329 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.694 1.664 7.840 1.00 71.34 H new ATOM 0 HD22 ASN A 61 3.042 0.464 6.590 1.00 71.34 H new ATOM 1096 N GLU A 62 3.647 -4.655 8.955 1.00 11.32 N ATOM 1097 CA GLU A 62 3.385 -6.060 8.670 1.00 10.11 C ATOM 1098 C GLU A 62 1.973 -6.432 9.134 1.00 4.42 C ATOM 1099 O GLU A 62 1.486 -5.890 10.127 1.00 11.11 O ATOM 1100 CB GLU A 62 4.527 -6.951 9.213 1.00 64.34 C ATOM 1101 CG GLU A 62 4.266 -8.469 9.120 1.00 12.24 C ATOM 1102 CD GLU A 62 5.542 -9.299 9.248 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.141 -9.267 10.342 1.00 25.35 O ATOM 1104 OE2 GLU A 62 5.904 -9.935 8.234 1.00 52.24 O1- ATOM 0 H GLU A 62 3.291 -4.349 9.861 1.00 11.32 H new ATOM 0 HA GLU A 62 3.390 -6.244 7.596 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.441 -6.720 8.665 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.706 -6.691 10.256 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.568 -8.761 9.904 1.00 12.24 H new ATOM 0 HG3 GLU A 62 3.787 -8.693 8.167 1.00 12.24 H new ATOM 1111 N PHE A 63 1.348 -7.340 8.375 1.00 45.12 N ATOM 1112 CA PHE A 63 -0.009 -7.816 8.600 1.00 45.42 C ATOM 1113 C PHE A 63 -0.087 -9.322 8.353 1.00 52.20 C ATOM 1114 O PHE A 63 0.636 -9.839 7.502 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.985 -7.026 7.701 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.816 -7.106 6.191 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -0.099 -6.098 5.513 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.287 -8.221 5.463 1.00 4.21 C ATOM 1119 CE1 PHE A 63 0.066 -6.169 4.137 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -1.090 -8.284 4.090 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.436 -7.253 3.428 1.00 51.51 C ATOM 0 H PHE A 63 1.792 -7.773 7.565 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.297 -7.646 9.638 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.996 -7.358 7.938 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.920 -5.976 7.986 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.322 -5.271 6.065 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.799 -9.023 5.973 1.00 4.21 H new ATOM 0 HE1 PHE A 63 0.586 -5.379 3.616 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.447 -9.139 3.534 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.317 -7.294 2.355 1.00 51.51 H new ATOM 1131 N THR A 64 -1.005 -9.975 9.079 1.00 74.12 N ATOM 1132 CA THR A 64 -1.410 -11.354 8.834 1.00 13.51 C ATOM 1133 C THR A 64 -2.655 -11.333 7.930 1.00 22.02 C ATOM 1134 O THR A 64 -3.622 -10.642 8.260 1.00 1.35 O ATOM 1135 CB THR A 64 -1.796 -12.092 10.144 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.800 -11.914 11.127 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.990 -13.604 9.960 1.00 4.13 C ATOM 0 H THR A 64 -1.492 -9.546 9.866 1.00 74.12 H new ATOM 0 HA THR A 64 -0.569 -11.876 8.377 1.00 13.51 H new ATOM 0 HB THR A 64 -2.746 -11.653 10.450 1.00 73.13 H new ATOM 0 HG1 THR A 64 -1.061 -12.385 11.946 1.00 42.04 H new ATOM 0 HG21 THR A 64 -2.258 -14.055 10.915 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.786 -13.783 9.238 1.00 4.13 H new ATOM 0 HG23 THR A 64 -1.063 -14.048 9.596 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.603 -12.056 6.800 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.683 -12.103 5.810 1.00 33.33 C ATOM 1147 C VAL A 65 -4.965 -12.736 6.394 1.00 61.03 C ATOM 1148 O VAL A 65 -4.901 -13.804 7.002 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.241 -12.874 4.530 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.377 -13.202 3.533 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.130 -12.111 3.786 1.00 40.35 C ATOM 0 H VAL A 65 -1.799 -12.630 6.548 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.908 -11.072 5.536 1.00 33.33 H new ATOM 0 HB VAL A 65 -2.877 -13.830 4.906 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.967 -13.738 2.677 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.125 -13.823 4.026 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.841 -12.276 3.192 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.838 -12.669 2.896 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.497 -11.127 3.493 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.266 -11.995 4.441 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.096 -12.042 6.198 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.420 -12.458 6.661 1.00 0.44 C ATOM 1163 C GLY A 66 -7.719 -12.059 8.117 1.00 33.05 C ATOM 1164 O GLY A 66 -8.855 -12.252 8.552 1.00 40.34 O ATOM 0 H GLY A 66 -6.111 -11.152 5.699 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.177 -12.020 6.011 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.505 -13.540 6.565 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.748 -11.491 8.852 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.926 -10.939 10.196 1.00 22.42 C ATOM 1170 C GLU A 67 -6.751 -9.417 10.157 1.00 3.42 C ATOM 1171 O GLU A 67 -6.081 -8.891 9.265 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.894 -11.559 11.160 1.00 4.45 C ATOM 1173 CG GLU A 67 -6.042 -13.082 11.339 1.00 21.52 C ATOM 1174 CD GLU A 67 -5.065 -13.654 12.369 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -5.029 -13.114 13.496 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -4.381 -14.639 12.016 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.790 -11.403 8.512 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.929 -11.176 10.549 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.891 -11.342 10.791 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.987 -11.078 12.134 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -7.063 -13.310 11.647 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -5.881 -13.574 10.380 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.337 -8.738 11.158 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.134 -7.310 11.386 1.00 12.35 C ATOM 1185 C GLU A 68 -5.745 -7.018 11.971 1.00 34.40 C ATOM 1186 O GLU A 68 -5.219 -7.784 12.778 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.259 -6.733 12.268 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.577 -6.571 11.492 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.687 -5.969 12.348 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -10.788 -4.723 12.353 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -11.415 -6.767 12.976 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.967 -9.173 11.832 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.178 -6.809 10.419 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -8.421 -7.389 13.124 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -7.950 -5.765 12.662 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.408 -5.936 10.623 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -9.897 -7.544 11.118 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.206 -5.885 11.521 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.903 -5.325 11.856 1.00 70.35 C ATOM 1200 C CYS A 69 -4.070 -3.798 11.977 1.00 60.52 C ATOM 1201 O CYS A 69 -5.195 -3.304 11.883 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.863 -5.744 10.790 1.00 55.14 C ATOM 1203 SG CYS A 69 -3.222 -4.979 9.177 1.00 2.14 S ATOM 0 H CYS A 69 -5.710 -5.292 10.862 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.529 -5.705 12.807 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -1.865 -5.453 11.119 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -2.861 -6.829 10.688 1.00 55.14 H new ATOM 0 HG CYS A 69 -4.508 -4.863 9.029 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.951 -3.074 12.140 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.939 -1.618 12.029 1.00 5.34 C ATOM 1211 C GLU A 70 -1.766 -1.191 11.137 1.00 21.04 C ATOM 1212 O GLU A 70 -0.631 -1.609 11.366 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.890 -0.969 13.429 1.00 62.11 C ATOM 1214 CG GLU A 70 -3.333 0.507 13.395 1.00 33.43 C ATOM 1215 CD GLU A 70 -3.152 1.235 14.724 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -2.025 1.168 15.261 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -4.119 1.906 15.148 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.040 -3.483 12.350 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.859 -1.270 11.560 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.534 -1.526 14.110 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.876 -1.035 13.824 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -2.765 1.029 12.625 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -4.383 0.555 13.105 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.089 -0.346 10.148 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.154 0.277 9.215 1.00 51.44 C ATOM 1226 C LEU A 71 -0.954 1.751 9.599 1.00 52.25 C ATOM 1227 O LEU A 71 -1.777 2.334 10.308 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.722 0.167 7.776 1.00 12.12 C ATOM 1229 CG LEU A 71 -1.184 -1.032 6.962 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -1.543 -2.395 7.583 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -1.616 -0.945 5.482 1.00 11.34 C ATOM 0 H LEU A 71 -3.055 -0.069 9.973 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.191 -0.231 9.258 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.808 0.093 7.833 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.493 1.087 7.238 1.00 12.12 H new ATOM 0 HG LEU A 71 -0.097 -0.965 6.998 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -1.137 -3.195 6.964 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -1.120 -2.461 8.585 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.627 -2.495 7.639 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -1.222 -1.803 4.937 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -2.704 -0.945 5.420 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -1.227 -0.026 5.043 1.00 11.34 H new ATOM 1243 N GLU A 72 0.145 2.318 9.085 1.00 31.40 N ATOM 1244 CA GLU A 72 0.492 3.730 9.193 1.00 14.02 C ATOM 1245 C GLU A 72 0.334 4.392 7.813 1.00 21.53 C ATOM 1246 O GLU A 72 0.674 3.773 6.803 1.00 23.03 O ATOM 1247 CB GLU A 72 1.920 3.829 9.790 1.00 41.41 C ATOM 1248 CG GLU A 72 2.467 5.251 10.078 1.00 41.14 C ATOM 1249 CD GLU A 72 3.319 5.891 8.973 1.00 41.24 C ATOM 1250 OE1 GLU A 72 3.263 5.413 7.820 1.00 4.01 O ATOM 1251 OE2 GLU A 72 4.024 6.869 9.304 1.00 22.04 O1- ATOM 0 H GLU A 72 0.839 1.781 8.564 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.173 4.274 9.864 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.937 3.265 10.722 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.608 3.334 9.105 1.00 41.41 H new ATOM 0 HG2 GLU A 72 1.621 5.908 10.281 1.00 41.14 H new ATOM 0 HG3 GLU A 72 3.064 5.209 10.989 1.00 41.14 H new ATOM 1258 N THR A 73 -0.149 5.644 7.807 1.00 53.10 N ATOM 1259 CA THR A 73 -0.142 6.534 6.639 1.00 22.32 C ATOM 1260 C THR A 73 0.893 7.646 6.893 1.00 73.14 C ATOM 1261 O THR A 73 1.028 8.072 8.038 1.00 51.31 O ATOM 1262 CB THR A 73 -1.527 7.195 6.414 1.00 61.01 C ATOM 1263 OG1 THR A 73 -2.515 6.189 6.304 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.633 8.089 5.165 1.00 13.44 C ATOM 0 H THR A 73 -0.564 6.074 8.633 1.00 53.10 H new ATOM 0 HA THR A 73 0.103 5.946 5.755 1.00 22.32 H new ATOM 0 HB THR A 73 -1.673 7.842 7.279 1.00 61.01 H new ATOM 0 HG1 THR A 73 -3.391 6.605 6.164 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.639 8.503 5.098 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.910 8.902 5.237 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.425 7.496 4.274 1.00 13.44 H new ATOM 1272 N MET A 74 1.608 8.059 5.830 1.00 65.23 N ATOM 1273 CA MET A 74 2.860 8.841 5.828 1.00 15.22 C ATOM 1274 C MET A 74 2.975 10.062 6.766 1.00 61.53 C ATOM 1275 O MET A 74 4.082 10.347 7.219 1.00 63.41 O ATOM 1276 CB MET A 74 3.192 9.282 4.387 1.00 4.31 C ATOM 1277 CG MET A 74 3.315 8.144 3.365 1.00 63.10 C ATOM 1278 SD MET A 74 3.868 8.714 1.735 1.00 71.13 S ATOM 1279 CE MET A 74 3.815 7.146 0.829 1.00 42.32 C ATOM 0 H MET A 74 1.305 7.839 4.881 1.00 65.23 H new ATOM 0 HA MET A 74 3.579 8.137 6.246 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.418 9.971 4.048 1.00 4.31 H new ATOM 0 HB3 MET A 74 4.129 9.838 4.402 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.017 7.399 3.741 1.00 63.10 H new ATOM 0 HG3 MET A 74 2.349 7.649 3.263 1.00 63.10 H new ATOM 0 HE1 MET A 74 4.127 7.311 -0.202 1.00 42.32 H new ATOM 0 HE2 MET A 74 4.487 6.430 1.302 1.00 42.32 H new ATOM 0 HE3 MET A 74 2.799 6.753 0.842 1.00 42.32 H new ATOM 1289 N THR A 75 1.858 10.757 7.030 1.00 42.10 N ATOM 1290 CA THR A 75 1.769 11.893 7.956 1.00 73.34 C ATOM 1291 C THR A 75 1.893 11.506 9.454 1.00 4.34 C ATOM 1292 O THR A 75 2.295 12.351 10.255 1.00 65.22 O ATOM 1293 CB THR A 75 0.455 12.690 7.697 1.00 44.22 C ATOM 1294 OG1 THR A 75 0.246 13.737 8.627 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.812 11.820 7.699 1.00 62.31 C ATOM 0 H THR A 75 0.965 10.536 6.590 1.00 42.10 H new ATOM 0 HA THR A 75 2.634 12.523 7.749 1.00 73.34 H new ATOM 0 HB THR A 75 0.611 13.099 6.699 1.00 44.22 H new ATOM 0 HG1 THR A 75 -0.590 14.201 8.414 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.684 12.447 7.512 1.00 62.31 H new ATOM 0 HG22 THR A 75 -0.735 11.063 6.918 1.00 62.31 H new ATOM 0 HG23 THR A 75 -0.917 11.332 8.668 1.00 62.31 H new ATOM 1303 N GLY A 76 1.605 10.238 9.797 1.00 3.43 N ATOM 1304 CA GLY A 76 1.713 9.688 11.148 1.00 13.34 C ATOM 1305 C GLY A 76 0.368 9.157 11.671 1.00 34.01 C ATOM 1306 O GLY A 76 0.315 8.749 12.831 1.00 72.12 O ATOM 0 H GLY A 76 1.281 9.551 9.116 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.446 8.881 11.152 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.084 10.459 11.823 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.701 9.135 10.849 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.997 8.518 11.170 1.00 62.44 C ATOM 1312 C GLU A 77 -1.874 6.998 11.378 1.00 4.12 C ATOM 1313 O GLU A 77 -1.066 6.355 10.711 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.995 8.770 10.025 1.00 1.33 C ATOM 1315 CG GLU A 77 -3.464 10.224 9.862 1.00 21.25 C ATOM 1316 CD GLU A 77 -4.244 10.397 8.557 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -5.464 10.648 8.648 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -3.607 10.251 7.490 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.683 9.558 9.921 1.00 2.11 H new ATOM 0 HA GLU A 77 -2.348 8.971 12.097 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.537 8.448 9.090 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -3.870 8.140 10.185 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -4.092 10.506 10.707 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -2.603 10.892 9.868 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.709 6.466 12.279 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.777 5.051 12.640 1.00 62.24 C ATOM 1327 C LYS A 78 -4.205 4.562 12.350 1.00 52.53 C ATOM 1328 O LYS A 78 -5.157 5.172 12.840 1.00 41.41 O ATOM 1329 CB LYS A 78 -2.421 4.914 14.137 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.990 5.347 14.531 1.00 12.42 C ATOM 1331 CD LYS A 78 0.027 4.213 14.768 1.00 34.14 C ATOM 1332 CE LYS A 78 0.502 3.458 13.516 1.00 51.30 C ATOM 1333 NZ LYS A 78 -0.454 2.428 13.086 1.00 3.34 N1+ ATOM 0 H LYS A 78 -3.381 7.035 12.795 1.00 34.45 H new ATOM 0 HA LYS A 78 -2.075 4.447 12.066 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -3.131 5.505 14.715 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -2.559 3.873 14.430 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -0.601 5.997 13.747 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -1.052 5.946 15.439 1.00 12.42 H new ATOM 0 HD2 LYS A 78 0.900 4.634 15.267 1.00 34.14 H new ATOM 0 HD3 LYS A 78 -0.416 3.493 15.455 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.656 4.168 12.704 1.00 51.30 H new ATOM 0 HE3 LYS A 78 1.466 2.992 13.720 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 0.038 1.517 12.990 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 -1.211 2.340 13.793 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 -0.866 2.697 12.170 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.332 3.503 11.534 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.607 3.040 10.977 1.00 74.43 C ATOM 1349 C VAL A 79 -5.653 1.507 10.843 1.00 74.30 C ATOM 1350 O VAL A 79 -4.749 0.916 10.254 1.00 24.50 O ATOM 1351 CB VAL A 79 -5.886 3.671 9.576 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.498 5.077 9.684 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -4.661 3.693 8.634 1.00 71.32 C ATOM 0 H VAL A 79 -3.536 2.937 11.240 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.376 3.361 11.680 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.616 3.002 9.120 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -6.674 5.475 8.685 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.443 5.022 10.225 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.811 5.733 10.220 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -4.941 4.147 7.683 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -3.860 4.274 9.092 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.316 2.673 8.462 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.728 0.898 11.382 1.00 63.33 N ATOM 1364 CA LYS A 80 -7.030 -0.533 11.262 1.00 34.21 C ATOM 1365 C LYS A 80 -7.441 -0.911 9.831 1.00 52.24 C ATOM 1366 O LYS A 80 -8.083 -0.108 9.152 1.00 75.41 O ATOM 1367 CB LYS A 80 -8.147 -0.953 12.254 1.00 34.34 C ATOM 1368 CG LYS A 80 -7.691 -1.504 13.624 1.00 31.13 C ATOM 1369 CD LYS A 80 -7.899 -0.547 14.809 1.00 52.13 C ATOM 1370 CE LYS A 80 -6.804 0.515 14.912 1.00 31.42 C ATOM 1371 NZ LYS A 80 -7.015 1.423 16.049 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.425 1.406 11.926 1.00 63.33 H new ATOM 0 HA LYS A 80 -6.114 -1.070 11.509 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.787 -0.088 12.431 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.763 -1.711 11.771 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -8.230 -2.430 13.825 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -6.633 -1.758 13.563 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -8.867 -0.056 14.708 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -7.929 -1.123 15.734 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -5.835 0.026 15.015 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -6.773 1.093 13.989 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -6.146 1.967 16.225 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -7.794 2.076 15.831 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -7.254 0.869 16.896 1.00 4.01 H new ATOM 1385 N THR A 81 -7.110 -2.151 9.434 1.00 10.31 N ATOM 1386 CA THR A 81 -7.485 -2.727 8.143 1.00 71.10 C ATOM 1387 C THR A 81 -7.181 -4.243 8.102 1.00 11.10 C ATOM 1388 O THR A 81 -6.404 -4.737 8.920 1.00 2.42 O ATOM 1389 CB THR A 81 -6.767 -2.000 6.962 1.00 64.15 C ATOM 1390 OG1 THR A 81 -7.249 -2.449 5.715 1.00 65.32 O ATOM 1391 CG2 THR A 81 -5.232 -2.137 6.943 1.00 11.32 C ATOM 0 H THR A 81 -6.565 -2.788 10.015 1.00 10.31 H new ATOM 0 HA THR A 81 -8.559 -2.585 8.025 1.00 71.10 H new ATOM 0 HB THR A 81 -7.001 -0.949 7.131 1.00 64.15 H new ATOM 0 HG1 THR A 81 -8.107 -2.017 5.521 1.00 65.32 H new ATOM 0 HG21 THR A 81 -4.829 -1.598 6.086 1.00 11.32 H new ATOM 0 HG22 THR A 81 -4.818 -1.720 7.861 1.00 11.32 H new ATOM 0 HG23 THR A 81 -4.962 -3.190 6.869 1.00 11.32 H new ATOM 1399 N VAL A 82 -7.796 -4.938 7.132 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.471 -6.301 6.711 1.00 65.00 C ATOM 1401 C VAL A 82 -6.982 -6.230 5.250 1.00 15.30 C ATOM 1402 O VAL A 82 -7.441 -5.366 4.498 1.00 20.31 O ATOM 1403 CB VAL A 82 -8.733 -7.221 6.723 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.463 -8.678 6.280 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.417 -7.240 8.096 1.00 75.14 C ATOM 0 H VAL A 82 -8.569 -4.542 6.598 1.00 12.10 H new ATOM 0 HA VAL A 82 -6.725 -6.708 7.393 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.394 -6.771 5.983 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.392 -9.248 6.317 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.075 -8.683 5.261 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.732 -9.132 6.949 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.290 -7.892 8.059 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -8.718 -7.611 8.846 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -9.730 -6.230 8.361 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.100 -7.164 4.865 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.692 -7.352 3.474 1.00 54.31 C ATOM 1417 C VAL A 83 -6.056 -8.783 3.038 1.00 42.34 C ATOM 1418 O VAL A 83 -5.876 -9.727 3.809 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.165 -7.163 3.284 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.736 -7.194 1.802 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.643 -5.884 3.969 1.00 52.03 C ATOM 0 H VAL A 83 -5.651 -7.810 5.515 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.209 -6.604 2.873 1.00 54.31 H new ATOM 0 HB VAL A 83 -3.705 -8.021 3.775 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.657 -7.057 1.733 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.008 -8.154 1.364 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.239 -6.393 1.261 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.569 -5.797 3.807 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.145 -5.014 3.546 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -3.846 -5.936 5.039 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.548 -8.895 1.795 1.00 61.33 N ATOM 1432 CA GLN A 84 -6.892 -10.146 1.123 1.00 41.54 C ATOM 1433 C GLN A 84 -6.170 -10.259 -0.220 1.00 4.15 C ATOM 1434 O GLN A 84 -5.904 -9.240 -0.850 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.424 -10.206 0.910 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.212 -10.700 2.136 1.00 14.11 C ATOM 1437 CD GLN A 84 -8.933 -12.163 2.502 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -8.389 -12.932 1.710 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.329 -12.563 3.709 1.00 32.13 N ATOM 0 H GLN A 84 -6.723 -8.078 1.210 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.575 -10.981 1.748 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.781 -9.213 0.639 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.637 -10.863 0.066 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -8.969 -10.069 2.991 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.278 -10.580 1.944 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -9.777 -11.902 4.344 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -9.184 -13.530 3.999 1.00 32.13 H new ATOM 1448 N LEU A 85 -5.922 -11.508 -0.641 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.376 -11.862 -1.948 1.00 51.31 C ATOM 1450 C LEU A 85 -6.508 -12.554 -2.721 1.00 54.41 C ATOM 1451 O LEU A 85 -6.994 -13.594 -2.274 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.134 -12.764 -1.725 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.139 -12.927 -2.902 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -3.720 -13.673 -4.114 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -2.446 -11.616 -3.304 1.00 64.25 C ATOM 0 H LEU A 85 -6.104 -12.324 -0.056 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.039 -11.004 -2.530 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -3.582 -12.369 -0.872 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -4.487 -13.757 -1.445 1.00 65.52 H new ATOM 0 HG LEU A 85 -2.359 -13.576 -2.504 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -2.962 -13.746 -4.894 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -4.027 -14.674 -3.812 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -4.583 -13.129 -4.497 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -1.764 -11.804 -4.133 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -3.196 -10.887 -3.610 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -1.885 -11.226 -2.455 1.00 64.25 H new ATOM 1467 N GLU A 86 -6.922 -11.958 -3.854 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.076 -12.387 -4.663 1.00 12.40 C ATOM 1469 C GLU A 86 -7.840 -13.647 -5.534 1.00 63.23 C ATOM 1470 O GLU A 86 -8.666 -13.933 -6.400 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.576 -11.184 -5.496 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.584 -10.703 -6.570 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.159 -9.596 -7.448 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -8.585 -9.928 -8.576 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.139 -8.431 -6.996 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.449 -11.142 -4.242 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.849 -12.711 -3.966 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.514 -11.457 -5.980 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -8.794 -10.356 -4.822 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.677 -10.343 -6.085 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.297 -11.547 -7.197 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.730 -14.371 -5.312 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.338 -15.562 -6.068 1.00 62.21 C ATOM 1484 C GLY A 87 -5.727 -15.218 -7.439 1.00 53.52 C ATOM 1485 O GLY A 87 -5.564 -16.121 -8.258 1.00 50.23 O ATOM 0 H GLY A 87 -6.063 -14.132 -4.578 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.617 -16.136 -5.486 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.210 -16.200 -6.213 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.412 -13.935 -7.689 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.954 -13.410 -8.976 1.00 30.21 C ATOM 1491 C ASP A 88 -3.736 -12.488 -8.758 1.00 42.45 C ATOM 1492 O ASP A 88 -3.580 -11.501 -9.475 1.00 71.24 O ATOM 1493 CB ASP A 88 -6.131 -12.721 -9.722 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.888 -12.375 -11.198 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -6.543 -11.414 -11.660 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -5.116 -13.110 -11.854 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.473 -13.213 -6.971 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.619 -14.223 -9.621 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -7.003 -13.372 -9.662 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.382 -11.802 -9.192 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.864 -12.828 -7.784 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.614 -12.118 -7.436 1.00 54.15 C ATOM 1503 C ASN A 89 -1.784 -10.605 -7.153 1.00 13.15 C ATOM 1504 O ASN A 89 -0.846 -9.832 -7.335 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.408 -12.487 -8.370 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.731 -12.903 -9.811 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -1.091 -14.050 -10.061 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.621 -11.979 -10.765 1.00 72.24 N ATOM 0 H ASN A 89 -3.020 -13.643 -7.191 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.333 -12.513 -6.460 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.262 -11.628 -8.410 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.145 -13.301 -7.901 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -0.838 -12.217 -11.733 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.319 -11.034 -10.527 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.987 -10.213 -6.701 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.386 -8.841 -6.418 1.00 43.31 C ATOM 1517 C LYS A 90 -3.893 -8.761 -4.973 1.00 61.44 C ATOM 1518 O LYS A 90 -4.783 -9.527 -4.604 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.490 -8.420 -7.416 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.014 -8.248 -8.873 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.047 -8.725 -9.906 1.00 4.11 C ATOM 1522 CE LYS A 90 -6.262 -7.807 -10.076 1.00 2.42 C ATOM 1523 NZ LYS A 90 -7.349 -8.515 -10.774 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.736 -10.881 -6.517 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.540 -8.163 -6.531 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.284 -9.166 -7.394 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -4.927 -7.480 -7.078 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.788 -7.197 -9.053 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.086 -8.802 -9.013 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -4.552 -8.830 -10.871 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.397 -9.716 -9.617 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -6.609 -7.468 -9.100 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -5.978 -6.918 -10.640 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -7.913 -7.833 -11.320 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -6.944 -9.223 -11.419 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -7.958 -8.989 -10.077 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.319 -7.835 -4.188 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.721 -7.565 -2.807 1.00 71.14 C ATOM 1539 C LEU A 91 -4.736 -6.416 -2.781 1.00 73.50 C ATOM 1540 O LEU A 91 -4.441 -5.346 -3.306 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.497 -7.160 -1.962 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.481 -8.278 -1.662 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.140 -7.667 -1.224 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.011 -9.301 -0.632 1.00 11.33 C ATOM 0 H LEU A 91 -2.550 -7.245 -4.505 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.166 -8.470 -2.393 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -1.977 -6.353 -2.477 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -2.853 -6.756 -1.014 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.322 -8.839 -2.583 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.572 -8.465 -1.014 1.00 43.11 H new ATOM 0 HD12 LEU A 91 0.249 -7.034 -2.021 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.289 -7.068 -0.326 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.255 -10.067 -0.458 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.234 -8.791 0.305 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -2.918 -9.768 -1.016 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.881 -6.652 -2.127 1.00 32.00 N ATOM 1557 CA VAL A 92 -6.957 -5.679 -1.943 1.00 22.23 C ATOM 1558 C VAL A 92 -7.064 -5.339 -0.444 1.00 44.13 C ATOM 1559 O VAL A 92 -7.043 -6.251 0.385 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.319 -6.263 -2.417 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.508 -5.300 -2.210 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.263 -6.699 -3.895 1.00 33.22 C ATOM 0 H VAL A 92 -6.087 -7.555 -1.699 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.730 -4.790 -2.531 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.491 -7.134 -1.785 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.425 -5.773 -2.563 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.605 -5.065 -1.150 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.334 -4.382 -2.771 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.231 -7.102 -4.192 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.021 -5.839 -4.519 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.497 -7.465 -4.020 1.00 33.22 H new ATOM 1572 N THR A 93 -7.188 -4.038 -0.127 1.00 63.53 N ATOM 1573 CA THR A 93 -7.244 -3.526 1.244 1.00 13.43 C ATOM 1574 C THR A 93 -7.850 -2.107 1.290 1.00 2.45 C ATOM 1575 O THR A 93 -7.726 -1.357 0.321 1.00 12.21 O ATOM 1576 CB THR A 93 -5.836 -3.552 1.911 1.00 65.32 C ATOM 1577 OG1 THR A 93 -5.867 -3.074 3.240 1.00 23.40 O ATOM 1578 CG2 THR A 93 -4.753 -2.717 1.209 1.00 32.30 C ATOM 0 H THR A 93 -7.253 -3.304 -0.832 1.00 63.53 H new ATOM 0 HA THR A 93 -7.899 -4.185 1.814 1.00 13.43 H new ATOM 0 HB THR A 93 -5.576 -4.608 1.845 1.00 65.32 H new ATOM 0 HG1 THR A 93 -6.354 -3.709 3.805 1.00 23.40 H new ATOM 0 HG21 THR A 93 -3.814 -2.806 1.755 1.00 32.30 H new ATOM 0 HG22 THR A 93 -4.616 -3.081 0.191 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.060 -1.671 1.182 1.00 32.30 H new ATOM 1586 N THR A 94 -8.494 -1.768 2.419 1.00 31.54 N ATOM 1587 CA THR A 94 -9.100 -0.460 2.673 1.00 61.25 C ATOM 1588 C THR A 94 -9.332 -0.247 4.178 1.00 52.21 C ATOM 1589 O THR A 94 -9.716 -1.187 4.876 1.00 72.24 O ATOM 1590 CB THR A 94 -10.437 -0.260 1.892 1.00 73.32 C ATOM 1591 OG1 THR A 94 -11.024 0.999 2.170 1.00 22.12 O ATOM 1592 CG2 THR A 94 -11.520 -1.319 2.166 1.00 71.41 C ATOM 0 H THR A 94 -8.608 -2.417 3.198 1.00 31.54 H new ATOM 0 HA THR A 94 -8.394 0.286 2.310 1.00 61.25 H new ATOM 0 HB THR A 94 -10.126 -0.346 0.851 1.00 73.32 H new ATOM 0 HG1 THR A 94 -11.858 1.090 1.663 1.00 22.12 H new ATOM 0 HG21 THR A 94 -12.408 -1.092 1.577 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.144 -2.304 1.890 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.776 -1.312 3.226 1.00 71.41 H new ATOM 1600 N PHE A 95 -9.096 0.992 4.642 1.00 12.34 N ATOM 1601 CA PHE A 95 -9.296 1.397 6.035 1.00 32.24 C ATOM 1602 C PHE A 95 -10.775 1.761 6.248 1.00 42.34 C ATOM 1603 O PHE A 95 -11.442 1.124 7.060 1.00 52.11 O ATOM 1604 CB PHE A 95 -8.381 2.594 6.404 1.00 51.52 C ATOM 1605 CG PHE A 95 -6.975 2.541 5.836 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -6.013 1.660 6.368 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.671 3.261 4.663 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -4.777 1.538 5.752 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.424 3.133 4.067 1.00 31.44 C ATOM 1610 CZ PHE A 95 -4.480 2.272 4.612 1.00 4.31 C ATOM 0 H PHE A 95 -8.756 1.748 4.047 1.00 12.34 H new ATOM 0 HA PHE A 95 -9.029 0.566 6.688 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -8.858 3.512 6.062 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -8.313 2.656 7.490 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -6.237 1.082 7.252 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.411 3.915 4.226 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -4.038 0.866 6.163 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.188 3.702 3.180 1.00 31.44 H new ATOM 0 HZ PHE A 95 -3.510 2.173 4.147 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.241 2.785 5.510 1.00 53.44 N ATOM 1621 CA LYS A 96 -12.574 3.381 5.619 1.00 45.34 C ATOM 1622 C LYS A 96 -13.230 3.474 4.232 1.00 4.11 C ATOM 1623 O LYS A 96 -14.341 2.972 4.071 1.00 13.52 O ATOM 1624 CB LYS A 96 -12.466 4.764 6.309 1.00 23.43 C ATOM 1625 CG LYS A 96 -12.121 4.676 7.815 1.00 21.04 C ATOM 1626 CD LYS A 96 -11.027 5.649 8.299 1.00 75.14 C ATOM 1627 CE LYS A 96 -11.507 7.080 8.600 1.00 20.32 C ATOM 1628 NZ LYS A 96 -11.966 7.790 7.396 1.00 11.43 N1+ ATOM 0 H LYS A 96 -10.671 3.234 4.793 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.214 2.749 6.234 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -11.703 5.355 5.803 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -13.411 5.295 6.191 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -13.028 4.861 8.390 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -11.803 3.658 8.039 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -10.572 5.239 9.200 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -10.245 5.697 7.541 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -12.319 7.041 9.326 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -10.695 7.642 9.061 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -12.182 8.778 7.637 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -11.219 7.765 6.672 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -12.822 7.329 7.026 1.00 11.43 H new ATOM 1642 N ASN A 97 -12.529 4.075 3.253 1.00 10.42 N ATOM 1643 CA ASN A 97 -12.981 4.149 1.858 1.00 75.11 C ATOM 1644 C ASN A 97 -11.822 4.125 0.837 1.00 61.01 C ATOM 1645 O ASN A 97 -12.105 4.079 -0.360 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.971 5.332 1.640 1.00 25.42 C ATOM 1647 CG ASN A 97 -13.329 6.709 1.405 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -13.183 7.143 0.263 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.954 7.400 2.482 1.00 5.41 N ATOM 0 H ASN A 97 -11.628 4.525 3.412 1.00 10.42 H new ATOM 0 HA ASN A 97 -13.539 3.234 1.661 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -14.605 5.097 0.785 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.623 5.400 2.511 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -12.530 8.321 2.375 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -13.091 7.007 3.413 1.00 5.41 H new ATOM 1656 N ILE A 98 -10.562 4.166 1.309 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.358 4.220 0.475 1.00 2.05 C ATOM 1658 C ILE A 98 -9.042 2.811 -0.079 1.00 35.23 C ATOM 1659 O ILE A 98 -8.285 2.059 0.535 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.131 4.784 1.265 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.457 6.154 1.911 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -6.859 4.897 0.387 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.342 6.746 2.785 1.00 5.42 C ATOM 0 H ILE A 98 -10.353 4.162 2.307 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.552 4.900 -0.354 1.00 2.05 H new ATOM 0 HB ILE A 98 -7.921 4.063 2.055 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.692 6.865 1.119 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.355 6.047 2.519 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.038 5.294 0.985 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -6.589 3.911 0.009 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.054 5.566 -0.451 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.667 7.704 3.191 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -7.120 6.062 3.604 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.446 6.893 2.182 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.677 2.473 -1.213 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.534 1.204 -1.927 1.00 15.10 C ATOM 1677 C LYS A 99 -8.175 1.097 -2.627 1.00 10.35 C ATOM 1678 O LYS A 99 -8.046 1.536 -3.769 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.673 1.044 -2.955 1.00 51.34 C ATOM 1680 CG LYS A 99 -12.042 0.677 -2.369 1.00 22.43 C ATOM 1681 CD LYS A 99 -13.039 0.348 -3.492 1.00 32.12 C ATOM 1682 CE LYS A 99 -14.402 -0.134 -2.982 1.00 42.11 C ATOM 1683 NZ LYS A 99 -15.289 -0.489 -4.104 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.331 3.107 -1.673 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.593 0.401 -1.192 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -10.773 1.977 -3.510 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.386 0.276 -3.673 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -11.941 -0.179 -1.702 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -12.421 1.505 -1.769 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -13.184 1.235 -4.109 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -12.609 -0.420 -4.135 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -14.266 -0.999 -2.333 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -14.866 0.647 -2.380 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -16.205 -0.812 -3.733 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -15.435 0.345 -4.709 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -14.854 -1.250 -4.663 1.00 33.01 H new ATOM 1697 N SER A 100 -7.207 0.480 -1.938 1.00 21.55 N ATOM 1698 CA SER A 100 -5.928 0.076 -2.505 1.00 50.10 C ATOM 1699 C SER A 100 -6.087 -1.301 -3.162 1.00 4.35 C ATOM 1700 O SER A 100 -6.569 -2.228 -2.510 1.00 70.42 O ATOM 1701 CB SER A 100 -4.881 0.030 -1.380 1.00 11.03 C ATOM 1702 OG SER A 100 -3.584 -0.233 -1.879 1.00 24.44 O ATOM 0 H SER A 100 -7.300 0.246 -0.950 1.00 21.55 H new ATOM 0 HA SER A 100 -5.599 0.787 -3.263 1.00 50.10 H new ATOM 0 HB2 SER A 100 -4.879 0.980 -0.846 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.156 -0.740 -0.659 1.00 11.03 H new ATOM 0 HG SER A 100 -2.945 -0.253 -1.136 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.658 -1.404 -4.425 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.560 -2.659 -5.158 1.00 23.22 C ATOM 1710 C VAL A 101 -4.168 -2.692 -5.800 1.00 63.20 C ATOM 1711 O VAL A 101 -3.969 -2.115 -6.870 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.661 -2.825 -6.247 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.514 -4.131 -7.061 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -8.073 -2.760 -5.637 1.00 60.44 C ATOM 0 H VAL A 101 -5.364 -0.595 -4.973 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.711 -3.486 -4.465 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.522 -1.988 -6.931 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.310 -4.189 -7.803 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.547 -4.139 -7.564 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.581 -4.987 -6.390 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.816 -2.879 -6.426 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.190 -3.559 -4.904 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.214 -1.796 -5.148 1.00 60.44 H new ATOM 1724 N THR A 102 -3.227 -3.359 -5.115 1.00 1.42 N ATOM 1725 CA THR A 102 -1.908 -3.703 -5.642 1.00 32.21 C ATOM 1726 C THR A 102 -2.027 -4.912 -6.587 1.00 75.43 C ATOM 1727 O THR A 102 -2.908 -5.747 -6.402 1.00 20.23 O ATOM 1728 CB THR A 102 -0.919 -4.077 -4.504 1.00 51.52 C ATOM 1729 OG1 THR A 102 -0.823 -3.003 -3.589 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.518 -4.425 -4.944 1.00 34.32 C ATOM 0 H THR A 102 -3.370 -3.679 -4.157 1.00 1.42 H new ATOM 0 HA THR A 102 -1.529 -2.829 -6.172 1.00 32.21 H new ATOM 0 HB THR A 102 -1.343 -4.983 -4.070 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.200 -3.240 -2.870 1.00 54.43 H new ATOM 0 HG21 THR A 102 1.118 -4.669 -4.067 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.495 -5.281 -5.618 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.958 -3.571 -5.458 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.129 -4.968 -7.574 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.986 -6.026 -8.560 1.00 73.42 C ATOM 1740 C GLU A 103 0.499 -6.393 -8.635 1.00 13.32 C ATOM 1741 O GLU A 103 1.318 -5.504 -8.856 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.492 -5.483 -9.914 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.256 -6.394 -11.136 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.424 -5.621 -12.441 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -0.383 -5.146 -12.949 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -2.582 -5.502 -12.895 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.442 -4.226 -7.708 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.561 -6.914 -8.298 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.562 -5.291 -9.830 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.010 -4.524 -10.102 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.253 -6.819 -11.088 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.957 -7.228 -11.112 1.00 32.21 H new ATOM 1753 N LEU A 104 0.803 -7.691 -8.520 1.00 42.30 N ATOM 1754 CA LEU A 104 2.101 -8.271 -8.855 1.00 11.24 C ATOM 1755 C LEU A 104 1.980 -8.894 -10.250 1.00 73.12 C ATOM 1756 O LEU A 104 1.131 -9.762 -10.447 1.00 4.51 O ATOM 1757 CB LEU A 104 2.460 -9.319 -7.775 1.00 54.01 C ATOM 1758 CG LEU A 104 3.755 -10.134 -7.996 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.009 -9.335 -7.623 1.00 75.11 C ATOM 1760 CD2 LEU A 104 3.710 -11.464 -7.227 1.00 4.54 C ATOM 0 H LEU A 104 0.133 -8.382 -8.182 1.00 42.30 H new ATOM 0 HA LEU A 104 2.898 -7.527 -8.874 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.542 -8.805 -6.817 1.00 54.01 H new ATOM 0 HB3 LEU A 104 1.629 -10.019 -7.691 1.00 54.01 H new ATOM 0 HG LEU A 104 3.814 -10.354 -9.062 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.895 -9.947 -7.794 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.064 -8.437 -8.238 1.00 75.11 H new ATOM 0 HD13 LEU A 104 4.961 -9.053 -6.571 1.00 75.11 H new ATOM 0 HD21 LEU A 104 4.634 -12.016 -7.401 1.00 4.54 H new ATOM 0 HD22 LEU A 104 3.602 -11.264 -6.161 1.00 4.54 H new ATOM 0 HD23 LEU A 104 2.863 -12.056 -7.573 1.00 4.54 H new ATOM 1772 N ASN A 105 2.841 -8.459 -11.181 1.00 34.14 N ATOM 1773 CA ASN A 105 3.034 -9.036 -12.513 1.00 71.15 C ATOM 1774 C ASN A 105 4.536 -9.321 -12.641 1.00 24.52 C ATOM 1775 O ASN A 105 5.235 -8.650 -13.402 1.00 10.23 O ATOM 1776 CB ASN A 105 2.498 -8.052 -13.594 1.00 53.44 C ATOM 1777 CG ASN A 105 1.012 -8.173 -13.960 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.620 -7.745 -15.043 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.171 -8.754 -13.102 1.00 74.43 N ATOM 0 H ASN A 105 3.449 -7.657 -11.015 1.00 34.14 H new ATOM 0 HA ASN A 105 2.479 -9.963 -12.658 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.682 -7.034 -13.249 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.085 -8.192 -14.502 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.816 -8.849 -13.341 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.515 -9.103 -12.208 1.00 74.43 H new ATOM 1786 N GLY A 106 5.004 -10.317 -11.865 1.00 41.51 N ATOM 1787 CA GLY A 106 6.401 -10.746 -11.809 1.00 24.53 C ATOM 1788 C GLY A 106 7.267 -9.624 -11.226 1.00 44.41 C ATOM 1789 O GLY A 106 7.085 -9.230 -10.074 1.00 71.31 O ATOM 0 H GLY A 106 4.399 -10.856 -11.246 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.491 -11.643 -11.196 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.751 -11.006 -12.808 1.00 24.53 H new ATOM 1793 N ASP A 107 8.197 -9.111 -12.047 1.00 35.04 N ATOM 1794 CA ASP A 107 9.064 -7.968 -11.741 1.00 74.01 C ATOM 1795 C ASP A 107 8.389 -6.583 -11.847 1.00 4.24 C ATOM 1796 O ASP A 107 9.097 -5.588 -11.717 1.00 62.20 O ATOM 1797 CB ASP A 107 10.391 -8.011 -12.543 1.00 2.23 C ATOM 1798 CG ASP A 107 11.271 -9.232 -12.248 1.00 32.02 C ATOM 1799 OD1 ASP A 107 11.235 -9.715 -11.094 1.00 52.24 O ATOM 1800 OD2 ASP A 107 12.044 -9.599 -13.159 1.00 30.24 O1- ATOM 0 H ASP A 107 8.370 -9.497 -12.975 1.00 35.04 H new ATOM 0 HA ASP A 107 9.294 -8.088 -10.682 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.158 -7.995 -13.608 1.00 2.23 H new ATOM 0 HB3 ASP A 107 10.961 -7.107 -12.328 1.00 2.23 H new ATOM 1805 N ILE A 108 7.065 -6.512 -12.053 1.00 2.50 N ATOM 1806 CA ILE A 108 6.305 -5.259 -12.096 1.00 64.11 C ATOM 1807 C ILE A 108 5.297 -5.245 -10.934 1.00 2.11 C ATOM 1808 O ILE A 108 4.654 -6.261 -10.672 1.00 22.32 O ATOM 1809 CB ILE A 108 5.525 -5.111 -13.437 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.439 -5.237 -14.681 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.673 -3.822 -13.526 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.511 -4.143 -14.821 1.00 60.45 C ATOM 0 H ILE A 108 6.485 -7.339 -12.196 1.00 2.50 H new ATOM 0 HA ILE A 108 7.008 -4.431 -12.012 1.00 64.11 H new ATOM 0 HB ILE A 108 4.832 -5.953 -13.437 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.935 -6.207 -14.651 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.814 -5.227 -15.574 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.160 -3.790 -14.487 1.00 22.33 H new ATOM 0 HG22 ILE A 108 3.937 -3.816 -12.722 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.321 -2.950 -13.431 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.097 -4.321 -15.722 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.029 -3.168 -14.889 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.168 -4.164 -13.951 1.00 60.45 H new ATOM 1824 N ILE A 109 5.175 -4.080 -10.279 1.00 40.12 N ATOM 1825 CA ILE A 109 4.205 -3.810 -9.223 1.00 22.33 C ATOM 1826 C ILE A 109 3.377 -2.585 -9.640 1.00 1.23 C ATOM 1827 O ILE A 109 3.826 -1.455 -9.451 1.00 51.11 O ATOM 1828 CB ILE A 109 4.885 -3.529 -7.845 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.723 -4.716 -7.334 1.00 33.11 C ATOM 1830 CG2 ILE A 109 3.922 -3.045 -6.734 1.00 12.12 C ATOM 1831 CD1 ILE A 109 4.926 -5.920 -6.822 1.00 34.14 C ATOM 0 H ILE A 109 5.772 -3.278 -10.482 1.00 40.12 H new ATOM 0 HA ILE A 109 3.579 -4.694 -9.097 1.00 22.33 H new ATOM 0 HB ILE A 109 5.555 -2.697 -8.063 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.374 -5.051 -8.141 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.368 -4.362 -6.530 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.483 -2.876 -5.815 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.446 -2.115 -7.045 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.158 -3.803 -6.559 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.614 -6.696 -6.487 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.295 -5.611 -5.989 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.301 -6.311 -7.625 1.00 34.14 H new ATOM 1843 N THR A 110 2.178 -2.825 -10.189 1.00 33.21 N ATOM 1844 CA THR A 110 1.171 -1.778 -10.390 1.00 2.23 C ATOM 1845 C THR A 110 0.300 -1.664 -9.122 1.00 12.04 C ATOM 1846 O THR A 110 0.192 -2.628 -8.368 1.00 75.51 O ATOM 1847 CB THR A 110 0.255 -2.075 -11.610 1.00 74.14 C ATOM 1848 OG1 THR A 110 1.046 -2.347 -12.751 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.720 -0.945 -11.992 1.00 2.10 C ATOM 0 H THR A 110 1.881 -3.748 -10.505 1.00 33.21 H new ATOM 0 HA THR A 110 1.697 -0.843 -10.586 1.00 2.23 H new ATOM 0 HB THR A 110 -0.346 -2.928 -11.296 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.827 -3.238 -13.096 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.313 -1.252 -12.854 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.382 -0.736 -11.152 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.156 -0.046 -12.241 1.00 2.10 H new ATOM 1857 N ASN A 111 -0.297 -0.489 -8.888 1.00 1.30 N ATOM 1858 CA ASN A 111 -1.225 -0.230 -7.791 1.00 43.31 C ATOM 1859 C ASN A 111 -2.150 0.923 -8.203 1.00 23.34 C ATOM 1860 O ASN A 111 -1.697 1.871 -8.844 1.00 30.24 O ATOM 1861 CB ASN A 111 -0.424 0.004 -6.477 1.00 72.52 C ATOM 1862 CG ASN A 111 -1.241 0.581 -5.311 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -1.410 1.794 -5.213 1.00 15.41 O ATOM 1864 ND2 ASN A 111 -1.750 -0.277 -4.426 1.00 44.55 N ATOM 0 H ASN A 111 -0.140 0.329 -9.477 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.870 -1.084 -7.584 1.00 43.31 H new ATOM 0 HB2 ASN A 111 0.011 -0.944 -6.161 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.404 0.680 -6.690 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -2.299 0.068 -3.638 1.00 44.55 H new ATOM 0 HD22 ASN A 111 -1.591 -1.278 -4.537 1.00 44.55 H new ATOM 1871 N THR A 112 -3.420 0.818 -7.785 1.00 70.33 N ATOM 1872 CA THR A 112 -4.417 1.877 -7.900 1.00 53.43 C ATOM 1873 C THR A 112 -5.103 2.059 -6.533 1.00 64.33 C ATOM 1874 O THR A 112 -5.591 1.086 -5.962 1.00 23.24 O ATOM 1875 CB THR A 112 -5.487 1.545 -8.971 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.852 1.400 -10.228 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.576 2.622 -9.138 1.00 71.42 C ATOM 0 H THR A 112 -3.785 -0.028 -7.348 1.00 70.33 H new ATOM 0 HA THR A 112 -3.913 2.793 -8.207 1.00 53.43 H new ATOM 0 HB THR A 112 -5.973 0.632 -8.627 1.00 52.13 H new ATOM 0 HG1 THR A 112 -5.522 1.188 -10.911 1.00 1.20 H new ATOM 0 HG21 THR A 112 -7.283 2.309 -9.907 1.00 71.42 H new ATOM 0 HG22 THR A 112 -7.103 2.756 -8.193 1.00 71.42 H new ATOM 0 HG23 THR A 112 -6.114 3.564 -9.432 1.00 71.42 H new ATOM 1885 N MET A 113 -5.106 3.309 -6.048 1.00 51.12 N ATOM 1886 CA MET A 113 -5.638 3.758 -4.765 1.00 1.03 C ATOM 1887 C MET A 113 -6.754 4.779 -5.019 1.00 4.14 C ATOM 1888 O MET A 113 -6.455 5.921 -5.369 1.00 24.23 O ATOM 1889 CB MET A 113 -4.495 4.398 -3.951 1.00 21.14 C ATOM 1890 CG MET A 113 -3.536 3.384 -3.306 1.00 14.13 C ATOM 1891 SD MET A 113 -3.602 3.355 -1.494 1.00 42.25 S ATOM 1892 CE MET A 113 -2.636 4.837 -1.119 1.00 63.21 C ATOM 0 H MET A 113 -4.708 4.081 -6.583 1.00 51.12 H new ATOM 0 HA MET A 113 -6.048 2.919 -4.204 1.00 1.03 H new ATOM 0 HB2 MET A 113 -3.923 5.057 -4.605 1.00 21.14 H new ATOM 0 HB3 MET A 113 -4.927 5.022 -3.168 1.00 21.14 H new ATOM 0 HG2 MET A 113 -3.769 2.388 -3.684 1.00 14.13 H new ATOM 0 HG3 MET A 113 -2.517 3.613 -3.619 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.875 5.183 -0.113 1.00 63.21 H new ATOM 0 HE2 MET A 113 -1.573 4.603 -1.179 1.00 63.21 H new ATOM 0 HE3 MET A 113 -2.876 5.620 -1.838 1.00 63.21 H new ATOM 1902 N THR A 114 -8.014 4.361 -4.826 1.00 31.21 N ATOM 1903 CA THR A 114 -9.189 5.213 -5.013 1.00 32.02 C ATOM 1904 C THR A 114 -9.711 5.709 -3.651 1.00 0.44 C ATOM 1905 O THR A 114 -10.161 4.899 -2.842 1.00 11.44 O ATOM 1906 CB THR A 114 -10.329 4.454 -5.742 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.869 4.054 -7.019 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.632 5.256 -5.935 1.00 33.33 C ATOM 0 H THR A 114 -8.244 3.412 -4.533 1.00 31.21 H new ATOM 0 HA THR A 114 -8.883 6.061 -5.626 1.00 32.02 H new ATOM 0 HB THR A 114 -10.578 3.612 -5.096 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.582 3.572 -7.487 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.366 4.639 -6.454 1.00 33.33 H new ATOM 0 HG22 THR A 114 -12.027 5.549 -4.962 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.426 6.148 -6.526 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.648 7.035 -3.448 1.00 10.34 N ATOM 1917 CA LEU A 115 -10.131 7.758 -2.270 1.00 5.52 C ATOM 1918 C LEU A 115 -11.060 8.867 -2.769 1.00 24.12 C ATOM 1919 O LEU A 115 -10.585 9.809 -3.404 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.906 8.291 -1.480 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.140 9.312 -0.330 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -9.144 10.784 -0.793 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -10.330 8.970 0.590 1.00 4.21 C ATOM 0 H LEU A 115 -9.236 7.661 -4.140 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.695 7.125 -1.585 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.387 7.431 -1.057 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.227 8.752 -2.197 1.00 61.42 H new ATOM 0 HG LEU A 115 -8.256 9.204 0.298 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -9.313 11.435 0.065 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -8.183 11.025 -1.248 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.939 10.933 -1.524 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -10.422 9.732 1.364 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -11.247 8.937 0.002 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -10.163 7.999 1.056 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.371 8.723 -2.504 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.413 9.601 -3.045 1.00 30.35 C ATOM 1937 C GLY A 116 -13.421 9.519 -4.581 1.00 51.00 C ATOM 1938 O GLY A 116 -13.316 8.427 -5.143 1.00 22.24 O ATOM 0 H GLY A 116 -12.736 7.985 -1.902 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.387 9.310 -2.651 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.236 10.629 -2.728 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.522 10.682 -5.243 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.389 10.834 -6.700 1.00 14.31 C ATOM 1944 C ASP A 117 -11.926 10.975 -7.180 1.00 43.04 C ATOM 1945 O ASP A 117 -11.716 11.147 -8.382 1.00 1.34 O ATOM 1946 CB ASP A 117 -14.282 11.954 -7.300 1.00 3.04 C ATOM 1947 CG ASP A 117 -15.788 11.820 -7.036 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -16.540 11.982 -8.023 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -16.179 11.637 -5.863 1.00 23.23 O1- ATOM 0 H ASP A 117 -13.703 11.566 -4.767 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.763 9.888 -7.092 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -13.946 12.912 -6.903 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -14.122 11.982 -8.378 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.936 10.879 -6.273 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.509 10.926 -6.607 1.00 44.24 C ATOM 1956 C ILE A 118 -9.005 9.482 -6.792 1.00 5.21 C ATOM 1957 O ILE A 118 -9.290 8.632 -5.949 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.641 11.577 -5.486 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -9.267 12.881 -4.936 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -7.196 11.836 -5.974 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.539 13.452 -3.710 1.00 24.45 C ATOM 0 H ILE A 118 -11.112 10.765 -5.275 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.411 11.529 -7.510 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.609 10.860 -4.665 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -9.271 13.632 -5.726 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.307 12.690 -4.672 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.616 12.290 -5.170 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.735 10.892 -6.265 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -7.217 12.509 -6.831 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -9.037 14.365 -3.384 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.557 12.720 -2.902 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.505 13.677 -3.973 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.263 9.238 -7.884 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.722 7.919 -8.214 1.00 54.42 C ATOM 1975 C VAL A 119 -6.207 8.058 -8.444 1.00 43.45 C ATOM 1976 O VAL A 119 -5.773 8.418 -9.539 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.404 7.300 -9.469 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.904 5.872 -9.761 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.939 7.267 -9.338 1.00 54.54 C ATOM 0 H VAL A 119 -8.023 9.959 -8.565 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.923 7.243 -7.383 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.128 7.951 -10.299 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.409 5.483 -10.645 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.828 5.892 -9.937 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.120 5.229 -8.908 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.371 6.827 -10.237 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.217 6.668 -8.471 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.315 8.282 -9.214 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.442 7.781 -7.379 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.982 7.717 -7.351 1.00 51.53 C ATOM 1991 C PHE A 120 -3.471 6.392 -7.935 1.00 21.53 C ATOM 1992 O PHE A 120 -4.028 5.346 -7.612 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.534 7.950 -5.889 1.00 62.43 C ATOM 1994 CG PHE A 120 -2.080 7.699 -5.513 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.028 8.214 -6.296 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.770 7.081 -4.283 1.00 1.44 C ATOM 1997 CE1 PHE A 120 0.288 8.045 -5.893 1.00 44.00 C ATOM 1998 CE2 PHE A 120 -0.449 6.932 -3.887 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.575 7.413 -4.689 1.00 63.23 C ATOM 0 H PHE A 120 -5.852 7.585 -6.466 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.546 8.491 -7.983 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.766 8.984 -5.635 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -4.152 7.319 -5.251 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -1.247 8.742 -7.212 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -2.565 6.722 -3.647 1.00 1.44 H new ATOM 0 HE1 PHE A 120 1.093 8.406 -6.517 1.00 44.00 H new ATOM 0 HE2 PHE A 120 -0.218 6.441 -2.953 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.602 7.296 -4.376 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.427 6.458 -8.774 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.738 5.297 -9.333 1.00 24.41 C ATOM 2011 C LYS A 121 -0.258 5.331 -8.931 1.00 1.12 C ATOM 2012 O LYS A 121 0.343 6.405 -8.883 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.842 5.275 -10.876 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.218 4.914 -11.464 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.218 6.083 -11.507 1.00 1.43 C ATOM 2016 CE LYS A 121 -5.471 5.796 -12.348 1.00 11.33 C ATOM 2017 NZ LYS A 121 -5.161 5.697 -13.784 1.00 31.52 N1+ ATOM 0 H LYS A 121 -2.032 7.345 -9.087 1.00 14.14 H new ATOM 0 HA LYS A 121 -2.214 4.400 -8.938 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.557 6.258 -11.252 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.110 4.563 -11.258 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.079 4.534 -12.476 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.650 4.104 -10.876 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -4.523 6.326 -10.489 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.716 6.964 -11.908 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.929 4.866 -12.011 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -6.203 6.587 -12.189 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -6.046 5.673 -14.329 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -4.597 6.521 -14.075 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.620 4.827 -13.963 1.00 31.52 H new ATOM 2031 N ARG A 122 0.304 4.132 -8.727 1.00 54.11 N ATOM 2032 CA ARG A 122 1.733 3.871 -8.576 1.00 51.51 C ATOM 2033 C ARG A 122 2.108 2.716 -9.503 1.00 51.43 C ATOM 2034 O ARG A 122 1.362 1.746 -9.614 1.00 64.24 O ATOM 2035 CB ARG A 122 2.054 3.497 -7.110 1.00 71.25 C ATOM 2036 CG ARG A 122 2.101 4.716 -6.183 1.00 23.43 C ATOM 2037 CD ARG A 122 3.433 5.486 -6.222 1.00 72.20 C ATOM 2038 NE ARG A 122 4.491 4.827 -5.439 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.183 5.380 -4.424 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.996 6.657 -4.058 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.078 4.636 -3.761 1.00 41.43 N ATOM 0 H ARG A 122 -0.255 3.282 -8.660 1.00 54.11 H new ATOM 0 HA ARG A 122 2.305 4.762 -8.835 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.302 2.798 -6.745 1.00 71.25 H new ATOM 0 HB3 ARG A 122 3.013 2.981 -7.073 1.00 71.25 H new ATOM 0 HG2 ARG A 122 1.293 5.396 -6.454 1.00 23.43 H new ATOM 0 HG3 ARG A 122 1.913 4.389 -5.160 1.00 23.43 H new ATOM 0 HD2 ARG A 122 3.761 5.586 -7.257 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.277 6.494 -5.839 1.00 72.20 H new ATOM 0 HE ARG A 122 4.721 3.865 -5.687 1.00 11.34 H new ATOM 0 HH11 ARG A 122 4.316 7.235 -4.552 1.00 71.04 H new ATOM 0 HH12 ARG A 122 5.534 7.050 -3.286 1.00 71.04 H new ATOM 0 HH21 ARG A 122 6.229 3.663 -4.027 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.609 5.043 -2.991 1.00 41.43 H new ATOM 2055 N ILE A 123 3.287 2.841 -10.119 1.00 23.42 N ATOM 2056 CA ILE A 123 3.946 1.786 -10.875 1.00 74.43 C ATOM 2057 C ILE A 123 5.385 1.716 -10.342 1.00 3.34 C ATOM 2058 O ILE A 123 6.046 2.747 -10.211 1.00 11.31 O ATOM 2059 CB ILE A 123 3.983 2.054 -12.411 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.570 2.302 -13.004 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.640 0.878 -13.169 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.044 3.742 -12.856 1.00 23.05 C ATOM 0 H ILE A 123 3.822 3.709 -10.101 1.00 23.42 H new ATOM 0 HA ILE A 123 3.391 0.857 -10.746 1.00 74.43 H new ATOM 0 HB ILE A 123 4.578 2.958 -12.542 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.587 2.045 -14.063 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.866 1.623 -12.522 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.651 1.094 -14.237 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.662 0.743 -12.816 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.071 -0.034 -12.989 1.00 70.43 H new ATOM 0 HD11 ILE A 123 1.051 3.814 -13.301 1.00 23.05 H new ATOM 0 HD12 ILE A 123 1.988 4.002 -11.799 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.720 4.430 -13.364 1.00 23.05 H new ATOM 2074 N SER A 124 5.827 0.496 -10.027 1.00 71.20 N ATOM 2075 CA SER A 124 7.148 0.178 -9.494 1.00 14.32 C ATOM 2076 C SER A 124 7.684 -1.072 -10.214 1.00 44.33 C ATOM 2077 O SER A 124 6.901 -1.826 -10.793 1.00 2.24 O ATOM 2078 CB SER A 124 7.029 -0.028 -7.968 1.00 41.23 C ATOM 2079 OG SER A 124 6.842 1.207 -7.309 1.00 61.04 O ATOM 0 H SER A 124 5.244 -0.333 -10.143 1.00 71.20 H new ATOM 0 HA SER A 124 7.855 0.990 -9.667 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.193 -0.692 -7.750 1.00 41.23 H new ATOM 0 HB3 SER A 124 7.929 -0.514 -7.591 1.00 41.23 H new ATOM 0 HG SER A 124 6.767 1.055 -6.344 1.00 61.04 H new ATOM 2085 N LYS A 125 9.013 -1.260 -10.184 1.00 51.44 N ATOM 2086 CA LYS A 125 9.698 -2.362 -10.862 1.00 72.03 C ATOM 2087 C LYS A 125 10.826 -2.906 -9.987 1.00 64.24 C ATOM 2088 O LYS A 125 11.551 -2.134 -9.364 1.00 21.30 O ATOM 2089 CB LYS A 125 10.210 -1.895 -12.239 1.00 73.22 C ATOM 2090 CG LYS A 125 10.989 -2.942 -13.055 1.00 42.33 C ATOM 2091 CD LYS A 125 11.415 -2.410 -14.429 1.00 22.14 C ATOM 2092 CE LYS A 125 12.202 -3.451 -15.235 1.00 53.41 C ATOM 2093 NZ LYS A 125 12.633 -2.907 -16.533 1.00 45.34 N1+ ATOM 0 H LYS A 125 9.647 -0.640 -9.680 1.00 51.44 H new ATOM 0 HA LYS A 125 8.995 -3.178 -11.028 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.356 -1.564 -12.830 1.00 73.22 H new ATOM 0 HB3 LYS A 125 10.852 -1.026 -12.091 1.00 73.22 H new ATOM 0 HG2 LYS A 125 11.873 -3.250 -12.497 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.371 -3.830 -13.187 1.00 42.33 H new ATOM 0 HD2 LYS A 125 10.530 -2.111 -14.991 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.026 -1.517 -14.297 1.00 22.14 H new ATOM 0 HE2 LYS A 125 13.074 -3.772 -14.665 1.00 53.41 H new ATOM 0 HE3 LYS A 125 11.583 -4.334 -15.395 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 13.163 -3.634 -17.055 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 11.798 -2.623 -17.085 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 13.243 -2.079 -16.377 1.00 45.34 H new ATOM 2107 N ARG A 126 10.960 -4.238 -10.005 1.00 3.51 N ATOM 2108 CA ARG A 126 11.890 -5.045 -9.219 1.00 31.02 C ATOM 2109 C ARG A 126 13.347 -4.748 -9.595 1.00 63.35 C ATOM 2110 O ARG A 126 13.656 -4.623 -10.782 1.00 31.35 O ATOM 2111 CB ARG A 126 11.504 -6.521 -9.439 1.00 1.25 C ATOM 2112 CG ARG A 126 11.687 -7.497 -8.268 1.00 25.20 C ATOM 2113 CD ARG A 126 13.107 -8.013 -8.034 1.00 61.54 C ATOM 2114 NE ARG A 126 13.054 -9.199 -7.166 1.00 13.10 N ATOM 2115 CZ ARG A 126 14.024 -9.676 -6.373 1.00 1.14 C ATOM 2116 NH1 ARG A 126 15.209 -9.060 -6.266 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 13.793 -10.792 -5.670 1.00 75.52 N ATOM 0 H ARG A 126 10.379 -4.816 -10.612 1.00 3.51 H new ATOM 0 HA ARG A 126 11.818 -4.803 -8.159 1.00 31.02 H new ATOM 0 HB2 ARG A 126 10.456 -6.551 -9.738 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.086 -6.896 -10.280 1.00 1.25 H new ATOM 0 HG2 ARG A 126 11.347 -7.006 -7.356 1.00 25.20 H new ATOM 0 HG3 ARG A 126 11.034 -8.354 -8.431 1.00 25.20 H new ATOM 0 HD2 ARG A 126 13.577 -8.264 -8.985 1.00 61.54 H new ATOM 0 HD3 ARG A 126 13.717 -7.237 -7.572 1.00 61.54 H new ATOM 0 HE ARG A 126 12.177 -9.719 -7.168 1.00 13.10 H new ATOM 0 HH11 ARG A 126 15.390 -8.207 -6.795 1.00 52.44 H new ATOM 0 HH12 ARG A 126 15.930 -9.444 -5.655 1.00 52.44 H new ATOM 0 HH21 ARG A 126 12.892 -11.264 -5.743 1.00 75.52 H new ATOM 0 HH22 ARG A 126 14.519 -11.171 -5.061 1.00 75.52 H new ATOM 2131 N ILE A 127 14.210 -4.624 -8.575 1.00 3.34 N ATOM 2132 CA ILE A 127 15.620 -4.242 -8.709 1.00 44.01 C ATOM 2133 C ILE A 127 16.367 -5.564 -8.735 1.00 43.14 C ATOM 2134 O ILE A 127 17.387 -5.735 -9.399 1.00 12.22 O ATOM 2135 CB ILE A 127 16.105 -3.305 -7.552 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.120 -2.143 -7.270 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.519 -2.749 -7.845 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.544 -1.203 -6.134 1.00 14.32 C ATOM 0 H ILE A 127 13.936 -4.792 -7.607 1.00 3.34 H new ATOM 0 HA ILE A 127 15.797 -3.653 -9.609 1.00 44.01 H new ATOM 0 HB ILE A 127 16.143 -3.920 -6.653 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.000 -1.558 -8.182 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.143 -2.563 -7.030 1.00 63.15 H new ATOM 0 HG21 ILE A 127 17.832 -2.101 -7.026 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.222 -3.576 -7.943 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.500 -2.177 -8.773 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.794 -0.422 -6.009 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.635 -1.770 -5.207 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.505 -0.749 -6.377 1.00 14.32 H new TER 2150 ILE A 127