USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1070 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 133 HIS : no HD1:sc= -0.323 K(o=-0.32,f=-0.95) USER MOD Set 2.1: A 57 CYS SG : rot 11:sc= 0.578 USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= -1.5 USER MOD Set 3.1: A 46 LYS NZ :NH3+ 175:sc= 1.51 (180deg=1.52) USER MOD Set 3.2: B 117 ASN : amide:sc= 0.122 K(o=1.6,f=-8!) USER MOD Set 4.1: A 30 GLN : amide:sc= 0.929 K(o=0.69,f=-4.4) USER MOD Set 4.2: A 36 SER OG : rot 119:sc= 0.844 USER MOD Set 4.3: A 38 HIS : no HE2:sc= -1.08 K(o=0.69,f=-5.1!) USER MOD Set 5.1: A 23 THR OG1 : rot 131:sc= 1.21 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.738 USER MOD Single : A 1 TYR N :NH3+ 149:sc= 0.355 (180deg=0.0693) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00659 USER MOD Single : A 8 CYS SG : rot -2:sc= 0.014 USER MOD Single : A 9 MET CE :methyl -175:sc= -0.0133 (180deg=-0.0249) USER MOD Single : A 10 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.0034) USER MOD Single : A 12 SER OG : rot 180:sc= 0.118 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 158:sc= -0.0649 (180deg=-0.401) USER MOD Single : A 29 CYS SG : rot -44:sc= -3.54! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.29) USER MOD Single : A 40 HIS : no HD1:sc= -0.967 K(o=-0.97,f=-3.2!) USER MOD Single : A 42 TYR OH : rot -155:sc= -0.157 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 49 ASN : amide:sc= 0.12 K(o=0.12,f=-4.6!) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc= 1.25 (180deg=-0.456) USER MOD Single : A 51 ASN : amide:sc= 0.918 K(o=0.92,f=-0.79) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.182 K(o=0.18,f=-4.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.358 K(o=0.36,f=-9.3!) USER MOD Single : A 70 THR OG1 : rot 88:sc= -0.727 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= 1.05 (180deg=0.438) USER MOD Single : A 80 CYS SG : rot 95:sc= 0.321 USER MOD Single : A 85 CYS SG : rot 70:sc= -1.25 USER MOD Single : B 102 SER OG : rot 180:sc= 0.0495 USER MOD Single : B 105 LYS NZ :NH3+ 178:sc= 1.94 (180deg=1.83) USER MOD Single : B 107 THR OG1 : rot -79:sc= 1.4 USER MOD Single : B 113 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.18) USER MOD Single : B 116 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.11) USER MOD Single : B 129 LYS NZ :NH3+ -152:sc= 2.05 (180deg=-0.316!) USER MOD Single : B 130 SER OG : rot -58:sc= 1.26 USER MOD Single : B 135 HIS : no HD1:sc= -0.0892 X(o=-0.089,f=-0.018) USER MOD Single : B 137 LYS NZ :NH3+ -164:sc= 1.32 (180deg=1.13) USER MOD Single : B 138 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0417) USER MOD Single : B 143 LYS NZ :NH3+ -153:sc= 3.46 (180deg=2.97) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -21.306 4.411 -13.271 1.00 15.00 N ATOM 2 CA TYR A 1 -22.658 4.185 -13.837 1.00 15.00 C ATOM 3 C TYR A 1 -23.587 5.330 -13.460 1.00 15.00 C ATOM 4 O TYR A 1 -24.151 5.994 -14.329 1.00 15.00 O ATOM 5 CB TYR A 1 -23.245 2.859 -13.342 1.00 15.00 C ATOM 6 CG TYR A 1 -22.360 1.660 -13.596 1.00 15.00 C ATOM 7 CD1 TYR A 1 -22.326 1.053 -14.845 1.00 15.00 C ATOM 8 CD2 TYR A 1 -21.559 1.134 -12.588 1.00 15.00 C ATOM 9 CE1 TYR A 1 -21.520 -0.043 -15.083 1.00 15.00 C ATOM 10 CE2 TYR A 1 -20.750 0.038 -12.821 1.00 15.00 C ATOM 11 CZ TYR A 1 -20.733 -0.545 -14.068 1.00 15.00 C ATOM 12 OH TYR A 1 -19.926 -1.634 -14.303 1.00 15.00 O ATOM 0 H1 TYR A 1 -20.861 3.495 -13.060 1.00 15.00 H new ATOM 0 H2 TYR A 1 -20.724 4.929 -13.960 1.00 15.00 H new ATOM 0 H3 TYR A 1 -21.385 4.968 -12.396 1.00 15.00 H new ATOM 0 HA TYR A 1 -22.565 4.140 -14.922 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -23.437 2.936 -12.272 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -24.207 2.696 -13.827 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -22.940 1.444 -15.643 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -21.569 1.589 -11.609 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -21.506 -0.505 -16.059 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -20.134 -0.359 -12.028 1.00 15.00 H new ATOM 0 HH TYR A 1 -19.436 -1.861 -13.485 1.00 15.00 H new ATOM 24 N VAL A 2 -23.754 5.549 -12.160 1.00 15.00 N ATOM 25 CA VAL A 2 -24.602 6.621 -11.662 1.00 15.00 C ATOM 26 C VAL A 2 -23.783 7.560 -10.786 1.00 15.00 C ATOM 27 O VAL A 2 -22.644 7.249 -10.440 1.00 15.00 O ATOM 28 CB VAL A 2 -25.803 6.079 -10.853 1.00 15.00 C ATOM 29 CG1 VAL A 2 -26.711 5.242 -11.737 1.00 15.00 C ATOM 30 CG2 VAL A 2 -25.333 5.272 -9.654 1.00 15.00 C ATOM 0 H VAL A 2 -23.309 4.993 -11.430 1.00 15.00 H new ATOM 0 HA VAL A 2 -24.995 7.159 -12.525 1.00 15.00 H new ATOM 0 HB VAL A 2 -26.372 6.932 -10.484 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -27.550 4.870 -11.148 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -27.086 5.855 -12.557 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -26.150 4.400 -12.141 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -26.198 4.903 -9.103 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -24.733 4.429 -9.996 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -24.731 5.905 -9.003 1.00 15.00 H new ATOM 40 N GLU A 3 -24.357 8.698 -10.431 1.00 15.00 N ATOM 41 CA GLU A 3 -23.657 9.669 -9.604 1.00 15.00 C ATOM 42 C GLU A 3 -23.932 9.425 -8.126 1.00 15.00 C ATOM 43 O GLU A 3 -23.041 9.556 -7.288 1.00 15.00 O ATOM 44 CB GLU A 3 -24.064 11.093 -9.993 1.00 15.00 C ATOM 45 CG GLU A 3 -23.172 12.165 -9.387 1.00 15.00 C ATOM 46 CD GLU A 3 -21.696 11.860 -9.544 1.00 15.00 C ATOM 47 OE1 GLU A 3 -21.272 11.500 -10.663 1.00 15.00 O ATOM 48 OE2 GLU A 3 -20.951 12.000 -8.553 1.00 15.00 O1- ATOM 0 H GLU A 3 -25.302 8.972 -10.701 1.00 15.00 H new ATOM 0 HA GLU A 3 -22.587 9.551 -9.775 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -24.043 11.185 -11.079 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -25.093 11.267 -9.679 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -23.392 13.123 -9.858 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -23.406 12.269 -8.328 1.00 15.00 H new ATOM 55 N PHE A 4 -25.162 9.066 -7.805 1.00 15.00 N ATOM 56 CA PHE A 4 -25.530 8.811 -6.421 1.00 15.00 C ATOM 57 C PHE A 4 -25.632 7.316 -6.168 1.00 15.00 C ATOM 58 O PHE A 4 -26.665 6.704 -6.436 1.00 15.00 O ATOM 59 CB PHE A 4 -26.850 9.503 -6.075 1.00 15.00 C ATOM 60 CG PHE A 4 -26.725 10.993 -5.933 1.00 15.00 C ATOM 61 CD1 PHE A 4 -26.483 11.564 -4.693 1.00 15.00 C ATOM 62 CD2 PHE A 4 -26.841 11.823 -7.036 1.00 15.00 C ATOM 63 CE1 PHE A 4 -26.361 12.935 -4.558 1.00 15.00 C ATOM 64 CE2 PHE A 4 -26.721 13.194 -6.906 1.00 15.00 C ATOM 65 CZ PHE A 4 -26.480 13.751 -5.666 1.00 15.00 C ATOM 0 H PHE A 4 -25.919 8.945 -8.477 1.00 15.00 H new ATOM 0 HA PHE A 4 -24.751 9.221 -5.778 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -27.582 9.280 -6.851 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -27.236 9.088 -5.144 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -26.389 10.931 -3.823 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -27.027 11.394 -8.009 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -26.173 13.367 -3.586 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -26.816 13.829 -7.774 1.00 15.00 H new ATOM 0 HZ PHE A 4 -26.385 14.822 -5.563 1.00 15.00 H new ATOM 75 N SER A 5 -24.553 6.731 -5.674 1.00 15.00 N ATOM 76 CA SER A 5 -24.525 5.306 -5.386 1.00 15.00 C ATOM 77 C SER A 5 -24.904 5.049 -3.933 1.00 15.00 C ATOM 78 O SER A 5 -24.626 5.873 -3.056 1.00 15.00 O ATOM 79 CB SER A 5 -23.133 4.746 -5.678 1.00 15.00 C ATOM 80 OG SER A 5 -22.394 5.637 -6.503 1.00 15.00 O ATOM 0 H SER A 5 -23.684 7.222 -5.464 1.00 15.00 H new ATOM 0 HA SER A 5 -25.251 4.803 -6.024 1.00 15.00 H new ATOM 0 HB2 SER A 5 -22.599 4.581 -4.742 1.00 15.00 H new ATOM 0 HB3 SER A 5 -23.221 3.777 -6.169 1.00 15.00 H new ATOM 0 HG SER A 5 -21.506 5.261 -6.677 1.00 15.00 H new ATOM 86 N GLU A 6 -25.550 3.922 -3.685 1.00 15.00 N ATOM 87 CA GLU A 6 -25.966 3.566 -2.339 1.00 15.00 C ATOM 88 C GLU A 6 -25.613 2.115 -2.024 1.00 15.00 C ATOM 89 O GLU A 6 -26.294 1.190 -2.474 1.00 15.00 O ATOM 90 CB GLU A 6 -27.473 3.779 -2.181 1.00 15.00 C ATOM 91 CG GLU A 6 -27.922 3.899 -0.734 1.00 15.00 C ATOM 92 CD GLU A 6 -27.457 5.189 -0.088 1.00 15.00 C ATOM 93 OE1 GLU A 6 -26.624 5.133 0.840 1.00 15.00 O ATOM 94 OE2 GLU A 6 -27.935 6.266 -0.501 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.798 3.237 -4.399 1.00 15.00 H new ATOM 0 HA GLU A 6 -25.435 4.210 -1.638 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.762 4.682 -2.718 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -28.000 2.947 -2.648 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -29.010 3.845 -0.689 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.537 3.052 -0.166 1.00 15.00 H new ATOM 101 N GLU A 7 -24.535 1.919 -1.275 1.00 15.00 N ATOM 102 CA GLU A 7 -24.102 0.587 -0.884 1.00 15.00 C ATOM 103 C GLU A 7 -23.321 0.658 0.423 1.00 15.00 C ATOM 104 O GLU A 7 -23.055 1.749 0.935 1.00 15.00 O ATOM 105 CB GLU A 7 -23.256 -0.071 -1.984 1.00 15.00 C ATOM 106 CG GLU A 7 -21.965 0.664 -2.317 1.00 15.00 C ATOM 107 CD GLU A 7 -22.167 1.798 -3.298 1.00 15.00 C ATOM 108 OE1 GLU A 7 -22.108 2.970 -2.875 1.00 15.00 O ATOM 109 OE2 GLU A 7 -22.375 1.521 -4.501 1.00 15.00 O1- ATOM 0 H GLU A 7 -23.943 2.672 -0.925 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.988 -0.031 -0.736 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -23.011 -1.087 -1.676 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.858 -0.149 -2.889 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -21.531 1.059 -1.398 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -21.247 -0.044 -2.731 1.00 15.00 H new ATOM 116 N CYS A 8 -22.981 -0.502 0.970 1.00 15.00 N ATOM 117 CA CYS A 8 -22.235 -0.581 2.219 1.00 15.00 C ATOM 118 C CYS A 8 -21.265 -1.763 2.191 1.00 15.00 C ATOM 119 O CYS A 8 -21.479 -2.730 1.456 1.00 15.00 O ATOM 120 CB CYS A 8 -23.194 -0.726 3.400 1.00 15.00 C ATOM 121 SG CYS A 8 -24.371 0.634 3.575 1.00 15.00 S ATOM 0 H CYS A 8 -23.213 -1.409 0.564 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.663 0.340 2.335 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -23.748 -1.658 3.291 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.612 -0.807 4.318 1.00 15.00 H new ATOM 0 HG CYS A 8 -24.139 1.529 2.661 1.00 15.00 H new ATOM 127 N MET A 9 -20.208 -1.681 2.992 1.00 15.00 N ATOM 128 CA MET A 9 -19.207 -2.741 3.056 1.00 15.00 C ATOM 129 C MET A 9 -19.196 -3.404 4.432 1.00 15.00 C ATOM 130 O MET A 9 -19.689 -2.836 5.413 1.00 15.00 O ATOM 131 CB MET A 9 -17.819 -2.184 2.733 1.00 15.00 C ATOM 132 CG MET A 9 -17.733 -1.530 1.366 1.00 15.00 C ATOM 133 SD MET A 9 -18.096 -2.676 0.019 1.00 15.00 S ATOM 134 CE MET A 9 -18.606 -1.530 -1.262 1.00 15.00 C ATOM 0 H MET A 9 -20.022 -0.889 3.608 1.00 15.00 H new ATOM 0 HA MET A 9 -19.469 -3.495 2.314 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.543 -1.454 3.494 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.090 -2.993 2.787 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.431 -0.694 1.324 1.00 15.00 H new ATOM 0 HG3 MET A 9 -16.733 -1.118 1.227 1.00 15.00 H new ATOM 0 HE1 MET A 9 -18.949 -2.088 -2.133 1.00 15.00 H new ATOM 0 HE2 MET A 9 -19.417 -0.905 -0.889 1.00 15.00 H new ATOM 0 HE3 MET A 9 -17.762 -0.900 -1.544 1.00 15.00 H new ATOM 144 N HIS A 10 -18.616 -4.598 4.496 1.00 15.00 N ATOM 145 CA HIS A 10 -18.542 -5.366 5.735 1.00 15.00 C ATOM 146 C HIS A 10 -17.293 -5.005 6.541 1.00 15.00 C ATOM 147 O HIS A 10 -16.203 -5.511 6.274 1.00 15.00 O ATOM 148 CB HIS A 10 -18.552 -6.869 5.418 1.00 15.00 C ATOM 149 CG HIS A 10 -18.594 -7.757 6.627 1.00 15.00 C ATOM 150 ND1 HIS A 10 -19.762 -8.345 7.044 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.593 -8.129 7.461 1.00 15.00 C ATOM 152 CE1 HIS A 10 -19.450 -9.055 8.114 1.00 15.00 C ATOM 153 NE2 HIS A 10 -18.149 -8.954 8.401 1.00 15.00 N ATOM 0 H HIS A 10 -18.186 -5.059 3.695 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.413 -5.118 6.341 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -19.415 -7.090 4.790 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -17.663 -7.111 4.835 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.557 -7.832 7.396 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -20.156 -9.642 8.683 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -17.662 -9.406 9.175 1.00 15.00 H new ATOM 161 N GLY A 11 -17.477 -4.125 7.523 1.00 15.00 N ATOM 162 CA GLY A 11 -16.389 -3.705 8.398 1.00 15.00 C ATOM 163 C GLY A 11 -15.132 -3.284 7.657 1.00 15.00 C ATOM 164 O GLY A 11 -15.148 -2.318 6.894 1.00 15.00 O ATOM 0 H GLY A 11 -18.375 -3.688 7.732 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.732 -2.874 9.014 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -16.143 -4.523 9.075 1.00 15.00 H new ATOM 168 N SER A 12 -14.048 -4.025 7.883 1.00 15.00 N ATOM 169 CA SER A 12 -12.760 -3.745 7.256 1.00 15.00 C ATOM 170 C SER A 12 -12.826 -3.967 5.747 1.00 15.00 C ATOM 171 O SER A 12 -12.285 -3.184 4.967 1.00 15.00 O ATOM 172 CB SER A 12 -11.681 -4.643 7.874 1.00 15.00 C ATOM 173 OG SER A 12 -12.176 -5.306 9.033 1.00 15.00 O ATOM 0 H SER A 12 -14.039 -4.834 8.504 1.00 15.00 H new ATOM 0 HA SER A 12 -12.508 -2.699 7.433 1.00 15.00 H new ATOM 0 HB2 SER A 12 -11.351 -5.380 7.141 1.00 15.00 H new ATOM 0 HB3 SER A 12 -10.810 -4.043 8.137 1.00 15.00 H new ATOM 0 HG SER A 12 -11.473 -5.875 9.410 1.00 15.00 H new ATOM 179 N GLY A 13 -13.511 -5.025 5.343 1.00 15.00 N ATOM 180 CA GLY A 13 -13.636 -5.329 3.937 1.00 15.00 C ATOM 181 C GLY A 13 -12.404 -6.011 3.377 1.00 15.00 C ATOM 182 O GLY A 13 -11.833 -5.553 2.389 1.00 15.00 O ATOM 0 H GLY A 13 -13.983 -5.679 5.967 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.504 -5.971 3.783 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -13.819 -4.407 3.385 1.00 15.00 H new ATOM 186 N GLU A 14 -11.982 -7.105 4.006 1.00 15.00 N ATOM 187 CA GLU A 14 -10.815 -7.839 3.529 1.00 15.00 C ATOM 188 C GLU A 14 -11.203 -8.664 2.308 1.00 15.00 C ATOM 189 O GLU A 14 -10.353 -9.083 1.522 1.00 15.00 O ATOM 190 CB GLU A 14 -10.239 -8.744 4.626 1.00 15.00 C ATOM 191 CG GLU A 14 -11.107 -9.947 4.964 1.00 15.00 C ATOM 192 CD GLU A 14 -10.319 -11.064 5.621 1.00 15.00 C ATOM 193 OE1 GLU A 14 -9.396 -11.606 4.977 1.00 15.00 O ATOM 194 OE2 GLU A 14 -10.619 -11.408 6.784 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.425 -7.498 4.837 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.041 -7.123 3.255 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -9.257 -9.096 4.312 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -10.091 -8.152 5.529 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -11.912 -9.635 5.629 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -11.573 -10.322 4.053 1.00 15.00 H new ATOM 201 N ASN A 15 -12.506 -8.872 2.159 1.00 15.00 N ATOM 202 CA ASN A 15 -13.053 -9.629 1.044 1.00 15.00 C ATOM 203 C ASN A 15 -13.606 -8.675 -0.014 1.00 15.00 C ATOM 204 O ASN A 15 -14.459 -9.045 -0.821 1.00 15.00 O ATOM 205 CB ASN A 15 -14.162 -10.569 1.529 1.00 15.00 C ATOM 206 CG ASN A 15 -13.655 -11.965 1.847 1.00 15.00 C ATOM 207 OD1 ASN A 15 -13.155 -12.669 0.974 1.00 15.00 O ATOM 208 ND2 ASN A 15 -13.791 -12.383 3.098 1.00 15.00 N ATOM 0 H ASN A 15 -13.210 -8.521 2.808 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.255 -10.227 0.604 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -14.627 -10.145 2.419 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -14.936 -10.634 0.765 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -13.475 -13.317 3.361 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -14.211 -11.771 3.797 1.00 15.00 H new ATOM 215 N TYR A 16 -13.114 -7.441 0.006 1.00 15.00 N ATOM 216 CA TYR A 16 -13.551 -6.417 -0.937 1.00 15.00 C ATOM 217 C TYR A 16 -13.040 -6.712 -2.343 1.00 15.00 C ATOM 218 O TYR A 16 -11.832 -6.763 -2.578 1.00 15.00 O ATOM 219 CB TYR A 16 -13.059 -5.042 -0.475 1.00 15.00 C ATOM 220 CG TYR A 16 -13.496 -3.892 -1.358 1.00 15.00 C ATOM 221 CD1 TYR A 16 -14.839 -3.552 -1.476 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.566 -3.140 -2.068 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.242 -2.500 -2.276 1.00 15.00 C ATOM 224 CE2 TYR A 16 -12.964 -2.087 -2.869 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.302 -1.770 -2.968 1.00 15.00 C ATOM 226 OH TYR A 16 -14.699 -0.721 -3.765 1.00 15.00 O ATOM 0 H TYR A 16 -12.407 -7.124 0.670 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.641 -6.420 -0.966 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -13.418 -4.863 0.538 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -11.970 -5.056 -0.429 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.580 -4.120 -0.933 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.516 -3.383 -1.992 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.290 -2.251 -2.358 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.230 -1.514 -3.416 1.00 15.00 H new ATOM 0 HH TYR A 16 -15.516 -0.323 -3.399 1.00 15.00 H new ATOM 236 N ASP A 17 -13.970 -6.901 -3.271 1.00 15.00 N ATOM 237 CA ASP A 17 -13.628 -7.184 -4.663 1.00 15.00 C ATOM 238 C ASP A 17 -14.161 -6.071 -5.563 1.00 15.00 C ATOM 239 O ASP A 17 -14.153 -6.183 -6.789 1.00 15.00 O ATOM 240 CB ASP A 17 -14.209 -8.538 -5.089 1.00 15.00 C ATOM 241 CG ASP A 17 -13.422 -9.198 -6.213 1.00 15.00 C ATOM 242 OD1 ASP A 17 -12.521 -10.014 -5.917 1.00 15.00 O ATOM 243 OD2 ASP A 17 -13.713 -8.925 -7.396 1.00 15.00 O1- ATOM 0 H ASP A 17 -14.972 -6.864 -3.085 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.543 -7.229 -4.760 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -14.230 -9.205 -4.227 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -15.242 -8.399 -5.409 1.00 15.00 H new ATOM 248 N GLY A 18 -14.613 -4.990 -4.936 1.00 15.00 N ATOM 249 CA GLY A 18 -15.152 -3.858 -5.671 1.00 15.00 C ATOM 250 C GLY A 18 -14.144 -3.229 -6.616 1.00 15.00 C ATOM 251 O GLY A 18 -12.935 -3.244 -6.355 1.00 15.00 O ATOM 0 H GLY A 18 -14.616 -4.877 -3.922 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -16.022 -4.183 -6.241 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.498 -3.104 -4.964 1.00 15.00 H new ATOM 255 N LYS A 19 -14.639 -2.666 -7.708 1.00 15.00 N ATOM 256 CA LYS A 19 -13.776 -2.042 -8.701 1.00 15.00 C ATOM 257 C LYS A 19 -13.558 -0.559 -8.403 1.00 15.00 C ATOM 258 O LYS A 19 -14.488 0.249 -8.461 1.00 15.00 O ATOM 259 CB LYS A 19 -14.353 -2.228 -10.111 1.00 15.00 C ATOM 260 CG LYS A 19 -15.862 -2.035 -10.200 1.00 15.00 C ATOM 261 CD LYS A 19 -16.384 -2.347 -11.598 1.00 15.00 C ATOM 262 CE LYS A 19 -16.334 -3.840 -11.894 1.00 15.00 C ATOM 263 NZ LYS A 19 -16.554 -4.137 -13.334 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.634 -2.628 -7.929 1.00 15.00 H new ATOM 0 HA LYS A 19 -12.806 -2.536 -8.652 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -13.868 -1.523 -10.786 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -14.105 -3.229 -10.464 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -16.356 -2.681 -9.474 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -16.115 -1.008 -9.937 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -17.410 -1.991 -11.692 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -15.791 -1.809 -12.337 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -15.366 -4.237 -11.587 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -17.091 -4.352 -11.300 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -16.511 -5.165 -13.487 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -17.488 -3.783 -13.623 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -15.817 -3.672 -13.901 1.00 15.00 H new ATOM 277 N ILE A 20 -12.320 -0.222 -8.068 1.00 15.00 N ATOM 278 CA ILE A 20 -11.929 1.148 -7.768 1.00 15.00 C ATOM 279 C ILE A 20 -10.407 1.261 -7.817 1.00 15.00 C ATOM 280 O ILE A 20 -9.699 0.422 -7.258 1.00 15.00 O ATOM 281 CB ILE A 20 -12.463 1.619 -6.389 1.00 15.00 C ATOM 282 CG1 ILE A 20 -12.068 3.075 -6.126 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.964 0.713 -5.267 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.728 3.678 -4.903 1.00 15.00 C ATOM 0 H ILE A 20 -11.556 -0.894 -7.996 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.373 1.800 -8.520 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.551 1.556 -6.411 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.986 3.132 -6.008 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -12.326 3.675 -6.999 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -12.354 1.067 -4.313 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -12.307 -0.307 -5.443 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.874 0.730 -5.243 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -12.399 4.710 -4.783 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.811 3.655 -5.025 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.450 3.104 -4.019 1.00 15.00 H new ATOM 296 N SER A 21 -9.904 2.269 -8.516 1.00 15.00 N ATOM 297 CA SER A 21 -8.468 2.461 -8.638 1.00 15.00 C ATOM 298 C SER A 21 -8.051 3.841 -8.142 1.00 15.00 C ATOM 299 O SER A 21 -7.081 4.423 -8.631 1.00 15.00 O ATOM 300 CB SER A 21 -8.049 2.270 -10.094 1.00 15.00 C ATOM 301 OG SER A 21 -9.028 2.789 -10.980 1.00 15.00 O ATOM 0 H SER A 21 -10.468 2.964 -9.005 1.00 15.00 H new ATOM 0 HA SER A 21 -7.965 1.720 -8.016 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.095 2.768 -10.269 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.897 1.210 -10.296 1.00 15.00 H new ATOM 0 HG SER A 21 -8.735 2.656 -11.906 1.00 15.00 H new ATOM 307 N LYS A 22 -8.781 4.358 -7.162 1.00 15.00 N ATOM 308 CA LYS A 22 -8.488 5.670 -6.603 1.00 15.00 C ATOM 309 C LYS A 22 -8.510 5.628 -5.079 1.00 15.00 C ATOM 310 O LYS A 22 -9.271 4.865 -4.478 1.00 15.00 O ATOM 311 CB LYS A 22 -9.492 6.708 -7.115 1.00 15.00 C ATOM 312 CG LYS A 22 -9.239 7.146 -8.551 1.00 15.00 C ATOM 313 CD LYS A 22 -10.312 8.106 -9.039 1.00 15.00 C ATOM 314 CE LYS A 22 -11.616 7.384 -9.348 1.00 15.00 C ATOM 315 NZ LYS A 22 -12.729 8.335 -9.606 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.581 3.888 -6.738 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.488 5.959 -6.926 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.498 6.295 -7.042 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -9.459 7.583 -6.466 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -8.262 7.625 -8.619 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -9.211 6.271 -9.200 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -10.489 8.869 -8.281 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.960 8.621 -9.933 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -11.478 6.742 -10.218 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.879 6.736 -8.512 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -13.599 7.804 -9.812 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -12.878 8.931 -8.767 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -12.490 8.937 -10.420 1.00 15.00 H new ATOM 329 N THR A 23 -7.667 6.445 -4.463 1.00 15.00 N ATOM 330 CA THR A 23 -7.585 6.518 -3.012 1.00 15.00 C ATOM 331 C THR A 23 -8.659 7.454 -2.462 1.00 15.00 C ATOM 332 O THR A 23 -9.458 8.007 -3.221 1.00 15.00 O ATOM 333 CB THR A 23 -6.202 7.034 -2.562 1.00 15.00 C ATOM 334 OG1 THR A 23 -6.036 8.400 -2.965 1.00 15.00 O ATOM 335 CG2 THR A 23 -5.085 6.190 -3.156 1.00 15.00 C ATOM 0 H THR A 23 -7.026 7.071 -4.951 1.00 15.00 H new ATOM 0 HA THR A 23 -7.738 5.511 -2.624 1.00 15.00 H new ATOM 0 HB THR A 23 -6.150 6.963 -1.476 1.00 15.00 H new ATOM 0 HG1 THR A 23 -5.730 8.932 -2.201 1.00 15.00 H new ATOM 0 HG21 THR A 23 -4.121 6.575 -2.823 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.196 5.157 -2.828 1.00 15.00 H new ATOM 0 HG23 THR A 23 -5.136 6.232 -4.244 1.00 15.00 H new ATOM 343 N MET A 24 -8.665 7.642 -1.145 1.00 15.00 N ATOM 344 CA MET A 24 -9.627 8.536 -0.507 1.00 15.00 C ATOM 345 C MET A 24 -9.248 9.990 -0.783 1.00 15.00 C ATOM 346 O MET A 24 -10.038 10.907 -0.567 1.00 15.00 O ATOM 347 CB MET A 24 -9.693 8.275 1.007 1.00 15.00 C ATOM 348 CG MET A 24 -8.362 8.455 1.730 1.00 15.00 C ATOM 349 SD MET A 24 -8.086 10.138 2.316 1.00 15.00 S ATOM 350 CE MET A 24 -9.291 10.244 3.637 1.00 15.00 C ATOM 0 H MET A 24 -8.017 7.189 -0.501 1.00 15.00 H new ATOM 0 HA MET A 24 -10.614 8.342 -0.926 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.428 8.948 1.449 1.00 15.00 H new ATOM 0 HB3 MET A 24 -10.050 7.259 1.174 1.00 15.00 H new ATOM 0 HG2 MET A 24 -8.323 7.772 2.579 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.551 8.175 1.058 1.00 15.00 H new ATOM 0 HE1 MET A 24 -8.999 11.030 4.333 1.00 15.00 H new ATOM 0 HE2 MET A 24 -10.271 10.475 3.218 1.00 15.00 H new ATOM 0 HE3 MET A 24 -9.337 9.291 4.165 1.00 15.00 H new ATOM 360 N SER A 25 -8.028 10.182 -1.270 1.00 15.00 N ATOM 361 CA SER A 25 -7.517 11.506 -1.589 1.00 15.00 C ATOM 362 C SER A 25 -7.646 11.787 -3.086 1.00 15.00 C ATOM 363 O SER A 25 -7.204 12.827 -3.580 1.00 15.00 O ATOM 364 CB SER A 25 -6.057 11.599 -1.151 1.00 15.00 C ATOM 365 OG SER A 25 -5.527 10.306 -0.884 1.00 15.00 O ATOM 0 H SER A 25 -7.368 9.426 -1.454 1.00 15.00 H new ATOM 0 HA SER A 25 -8.103 12.255 -1.056 1.00 15.00 H new ATOM 0 HB2 SER A 25 -5.469 12.084 -1.930 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.979 12.220 -0.259 1.00 15.00 H new ATOM 0 HG SER A 25 -4.591 10.387 -0.607 1.00 15.00 H new ATOM 371 N GLY A 26 -8.254 10.846 -3.797 1.00 15.00 N ATOM 372 CA GLY A 26 -8.442 10.991 -5.228 1.00 15.00 C ATOM 373 C GLY A 26 -7.170 10.749 -6.014 1.00 15.00 C ATOM 374 O GLY A 26 -7.022 11.245 -7.132 1.00 15.00 O ATOM 0 H GLY A 26 -8.623 9.979 -3.405 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -9.209 10.292 -5.562 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.811 11.994 -5.442 1.00 15.00 H new ATOM 378 N LEU A 27 -6.248 9.998 -5.432 1.00 15.00 N ATOM 379 CA LEU A 27 -4.986 9.696 -6.093 1.00 15.00 C ATOM 380 C LEU A 27 -5.116 8.418 -6.913 1.00 15.00 C ATOM 381 O LEU A 27 -5.902 7.532 -6.573 1.00 15.00 O ATOM 382 CB LEU A 27 -3.858 9.548 -5.065 1.00 15.00 C ATOM 383 CG LEU A 27 -3.664 10.744 -4.128 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.665 10.401 -3.030 1.00 15.00 C ATOM 385 CD2 LEU A 27 -3.208 11.969 -4.912 1.00 15.00 C ATOM 0 H LEU A 27 -6.349 9.586 -4.504 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.740 10.523 -6.759 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -4.054 8.662 -4.461 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.924 9.370 -5.598 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.620 10.978 -3.660 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -2.538 11.261 -2.372 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -3.036 9.554 -2.453 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.706 10.142 -3.479 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -3.075 12.809 -4.230 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -2.262 11.752 -5.409 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.960 12.224 -5.659 1.00 15.00 H new ATOM 397 N GLU A 28 -4.348 8.333 -7.989 1.00 15.00 N ATOM 398 CA GLU A 28 -4.377 7.169 -8.866 1.00 15.00 C ATOM 399 C GLU A 28 -3.622 6.003 -8.235 1.00 15.00 C ATOM 400 O GLU A 28 -2.520 6.179 -7.709 1.00 15.00 O ATOM 401 CB GLU A 28 -3.769 7.518 -10.227 1.00 15.00 C ATOM 402 CG GLU A 28 -4.386 8.753 -10.865 1.00 15.00 C ATOM 403 CD GLU A 28 -3.800 9.072 -12.225 1.00 15.00 C ATOM 404 OE1 GLU A 28 -4.234 8.461 -13.222 1.00 15.00 O ATOM 405 OE2 GLU A 28 -2.914 9.952 -12.308 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.693 9.060 -8.278 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.415 6.870 -9.010 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.697 7.677 -10.108 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.893 6.670 -10.900 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -5.461 8.605 -10.964 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -4.242 9.607 -10.204 1.00 15.00 H new ATOM 412 N CYS A 29 -4.223 4.823 -8.280 1.00 15.00 N ATOM 413 CA CYS A 29 -3.613 3.628 -7.714 1.00 15.00 C ATOM 414 C CYS A 29 -2.692 2.948 -8.721 1.00 15.00 C ATOM 415 O CYS A 29 -2.979 2.901 -9.920 1.00 15.00 O ATOM 416 CB CYS A 29 -4.694 2.643 -7.258 1.00 15.00 C ATOM 417 SG CYS A 29 -4.060 1.038 -6.713 1.00 15.00 S ATOM 0 H CYS A 29 -5.137 4.667 -8.705 1.00 15.00 H new ATOM 0 HA CYS A 29 -3.017 3.935 -6.854 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -5.258 3.094 -6.441 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.393 2.484 -8.079 1.00 15.00 H new ATOM 0 HG CYS A 29 -3.157 0.621 -7.550 1.00 15.00 H new ATOM 423 N GLN A 30 -1.583 2.429 -8.219 1.00 15.00 N ATOM 424 CA GLN A 30 -0.610 1.729 -9.038 1.00 15.00 C ATOM 425 C GLN A 30 -0.999 0.259 -9.153 1.00 15.00 C ATOM 426 O GLN A 30 -1.565 -0.310 -8.217 1.00 15.00 O ATOM 427 CB GLN A 30 0.783 1.864 -8.414 1.00 15.00 C ATOM 428 CG GLN A 30 1.862 1.087 -9.144 1.00 15.00 C ATOM 429 CD GLN A 30 3.099 0.876 -8.294 1.00 15.00 C ATOM 430 OE1 GLN A 30 4.025 1.684 -8.316 1.00 15.00 O ATOM 431 NE2 GLN A 30 3.126 -0.214 -7.539 1.00 15.00 N ATOM 0 H GLN A 30 -1.333 2.482 -7.232 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.592 2.167 -10.036 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.060 2.918 -8.392 1.00 15.00 H new ATOM 0 HB3 GLN A 30 0.741 1.524 -7.379 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.465 0.119 -9.449 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.137 1.620 -10.054 1.00 15.00 H new ATOM 0 HE21 GLN A 30 2.337 -0.861 -7.548 1.00 15.00 H new ATOM 0 HE22 GLN A 30 3.936 -0.406 -6.949 1.00 15.00 H new ATOM 440 N ALA A 31 -0.712 -0.346 -10.297 1.00 15.00 N ATOM 441 CA ALA A 31 -1.027 -1.747 -10.514 1.00 15.00 C ATOM 442 C ALA A 31 -0.143 -2.622 -9.635 1.00 15.00 C ATOM 443 O ALA A 31 1.049 -2.354 -9.482 1.00 15.00 O ATOM 444 CB ALA A 31 -0.855 -2.109 -11.980 1.00 15.00 C ATOM 0 H ALA A 31 -0.261 0.113 -11.088 1.00 15.00 H new ATOM 0 HA ALA A 31 -2.068 -1.921 -10.242 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -1.095 -3.162 -12.125 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.523 -1.498 -12.587 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.177 -1.927 -12.281 1.00 15.00 H new ATOM 450 N TRP A 32 -0.728 -3.665 -9.063 1.00 15.00 N ATOM 451 CA TRP A 32 0.002 -4.573 -8.183 1.00 15.00 C ATOM 452 C TRP A 32 1.091 -5.331 -8.943 1.00 15.00 C ATOM 453 O TRP A 32 2.120 -5.689 -8.376 1.00 15.00 O ATOM 454 CB TRP A 32 -0.963 -5.566 -7.527 1.00 15.00 C ATOM 455 CG TRP A 32 -2.059 -4.908 -6.736 1.00 15.00 C ATOM 456 CD1 TRP A 32 -3.338 -4.670 -7.148 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.971 -4.402 -5.399 1.00 15.00 C ATOM 458 NE1 TRP A 32 -4.047 -4.047 -6.150 1.00 15.00 N ATOM 459 CE2 TRP A 32 -3.230 -3.871 -5.068 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.948 -4.343 -4.450 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -3.495 -3.293 -3.826 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -1.210 -3.771 -3.219 1.00 15.00 C ATOM 463 CH2 TRP A 32 -2.475 -3.252 -2.916 1.00 15.00 C ATOM 0 H TRP A 32 -1.711 -3.906 -9.192 1.00 15.00 H new ATOM 0 HA TRP A 32 0.482 -3.973 -7.410 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.410 -6.191 -8.301 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.399 -6.227 -6.870 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.735 -4.933 -8.117 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -5.025 -3.762 -6.207 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.032 -4.738 -4.674 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -4.470 -2.893 -3.592 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 -0.426 -3.724 -2.478 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -2.648 -2.811 -1.945 1.00 15.00 H new ATOM 474 N ASP A 33 0.864 -5.564 -10.227 1.00 15.00 N ATOM 475 CA ASP A 33 1.829 -6.282 -11.051 1.00 15.00 C ATOM 476 C ASP A 33 2.673 -5.321 -11.885 1.00 15.00 C ATOM 477 O ASP A 33 3.364 -5.738 -12.817 1.00 15.00 O ATOM 478 CB ASP A 33 1.122 -7.296 -11.956 1.00 15.00 C ATOM 479 CG ASP A 33 0.139 -6.652 -12.911 1.00 15.00 C ATOM 480 OD1 ASP A 33 0.342 -6.750 -14.139 1.00 15.00 O ATOM 481 OD2 ASP A 33 -0.856 -6.061 -12.437 1.00 15.00 O1- ATOM 0 H ASP A 33 0.022 -5.268 -10.721 1.00 15.00 H new ATOM 0 HA ASP A 33 2.498 -6.821 -10.381 1.00 15.00 H new ATOM 0 HB2 ASP A 33 1.869 -7.846 -12.528 1.00 15.00 H new ATOM 0 HB3 ASP A 33 0.596 -8.022 -11.337 1.00 15.00 H new ATOM 486 N SER A 34 2.623 -4.038 -11.546 1.00 15.00 N ATOM 487 CA SER A 34 3.401 -3.033 -12.258 1.00 15.00 C ATOM 488 C SER A 34 4.838 -3.030 -11.746 1.00 15.00 C ATOM 489 O SER A 34 5.178 -3.790 -10.837 1.00 15.00 O ATOM 490 CB SER A 34 2.781 -1.651 -12.077 1.00 15.00 C ATOM 491 OG SER A 34 2.953 -0.864 -13.243 1.00 15.00 O ATOM 0 H SER A 34 2.053 -3.670 -10.784 1.00 15.00 H new ATOM 0 HA SER A 34 3.399 -3.279 -13.320 1.00 15.00 H new ATOM 0 HB2 SER A 34 1.719 -1.751 -11.854 1.00 15.00 H new ATOM 0 HB3 SER A 34 3.240 -1.151 -11.224 1.00 15.00 H new ATOM 0 HG SER A 34 2.547 0.017 -13.106 1.00 15.00 H new ATOM 497 N GLN A 35 5.682 -2.182 -12.316 1.00 15.00 N ATOM 498 CA GLN A 35 7.068 -2.123 -11.887 1.00 15.00 C ATOM 499 C GLN A 35 7.609 -0.690 -11.873 1.00 15.00 C ATOM 500 O GLN A 35 8.755 -0.444 -12.254 1.00 15.00 O ATOM 501 CB GLN A 35 7.942 -3.042 -12.755 1.00 15.00 C ATOM 502 CG GLN A 35 9.326 -3.321 -12.167 1.00 15.00 C ATOM 503 CD GLN A 35 9.286 -3.855 -10.741 1.00 15.00 C ATOM 504 OE1 GLN A 35 10.148 -3.528 -9.921 1.00 15.00 O ATOM 505 NE2 GLN A 35 8.306 -4.693 -10.440 1.00 15.00 N ATOM 0 H GLN A 35 5.435 -1.535 -13.065 1.00 15.00 H new ATOM 0 HA GLN A 35 7.107 -2.482 -10.858 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.423 -3.989 -12.900 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.061 -2.589 -13.739 1.00 15.00 H new ATOM 0 HG2 GLN A 35 9.843 -4.041 -12.801 1.00 15.00 H new ATOM 0 HG3 GLN A 35 9.912 -2.402 -12.186 1.00 15.00 H new ATOM 0 HE21 GLN A 35 7.611 -4.940 -11.145 1.00 15.00 H new ATOM 0 HE22 GLN A 35 8.246 -5.092 -9.503 1.00 15.00 H new ATOM 514 N SER A 36 6.784 0.267 -11.453 1.00 15.00 N ATOM 515 CA SER A 36 7.248 1.644 -11.322 1.00 15.00 C ATOM 516 C SER A 36 8.255 1.627 -10.178 1.00 15.00 C ATOM 517 O SER A 36 8.208 0.691 -9.372 1.00 15.00 O ATOM 518 CB SER A 36 6.071 2.572 -11.014 1.00 15.00 C ATOM 519 OG SER A 36 4.840 1.863 -11.074 1.00 15.00 O ATOM 0 H SER A 36 5.807 0.117 -11.202 1.00 15.00 H new ATOM 0 HA SER A 36 7.702 2.015 -12.241 1.00 15.00 H new ATOM 0 HB2 SER A 36 6.196 3.009 -10.023 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.056 3.397 -11.727 1.00 15.00 H new ATOM 0 HG SER A 36 4.404 1.889 -10.196 1.00 15.00 H new ATOM 525 N PRO A 37 9.185 2.586 -10.033 1.00 15.00 N ATOM 526 CA PRO A 37 10.131 2.451 -8.936 1.00 15.00 C ATOM 527 C PRO A 37 9.490 2.732 -7.584 1.00 15.00 C ATOM 528 O PRO A 37 9.361 3.874 -7.141 1.00 15.00 O ATOM 529 CB PRO A 37 11.182 3.515 -9.268 1.00 15.00 C ATOM 530 CG PRO A 37 10.477 4.529 -10.115 1.00 15.00 C ATOM 531 CD PRO A 37 9.387 3.792 -10.850 1.00 15.00 C ATOM 0 HA PRO A 37 10.531 1.441 -8.850 1.00 15.00 H new ATOM 0 HB2 PRO A 37 11.579 3.970 -8.361 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.027 3.078 -9.801 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.059 5.325 -9.499 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.169 4.997 -10.815 1.00 15.00 H new ATOM 0 HD2 PRO A 37 8.476 4.387 -10.921 1.00 15.00 H new ATOM 0 HD3 PRO A 37 9.686 3.543 -11.868 1.00 15.00 H new ATOM 539 N HIS A 38 9.096 1.642 -6.946 1.00 15.00 N ATOM 540 CA HIS A 38 8.516 1.655 -5.621 1.00 15.00 C ATOM 541 C HIS A 38 9.292 0.729 -4.700 1.00 15.00 C ATOM 542 O HIS A 38 10.034 -0.135 -5.173 1.00 15.00 O ATOM 543 CB HIS A 38 7.040 1.259 -5.669 1.00 15.00 C ATOM 544 CG HIS A 38 6.144 2.260 -5.013 1.00 15.00 C ATOM 545 ND1 HIS A 38 4.984 2.745 -5.578 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.263 2.879 -3.812 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.449 3.627 -4.724 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.189 3.744 -3.635 1.00 15.00 N ATOM 0 H HIS A 38 9.174 0.707 -7.346 1.00 15.00 H new ATOM 0 HA HIS A 38 8.578 2.669 -5.227 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.737 1.135 -6.709 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.913 0.292 -5.182 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.601 2.479 -6.485 1.00 15.00 H new ATOM 0 HD2 HIS A 38 7.065 2.724 -3.105 1.00 15.00 H new ATOM 0 HE1 HIS A 38 3.533 4.171 -4.902 1.00 15.00 H new ATOM 556 N ALA A 39 9.128 0.887 -3.402 1.00 15.00 N ATOM 557 CA ALA A 39 9.751 -0.031 -2.470 1.00 15.00 C ATOM 558 C ALA A 39 8.648 -0.916 -1.905 1.00 15.00 C ATOM 559 O ALA A 39 7.793 -0.431 -1.160 1.00 15.00 O ATOM 560 CB ALA A 39 10.471 0.724 -1.363 1.00 15.00 C ATOM 0 H ALA A 39 8.577 1.631 -2.973 1.00 15.00 H new ATOM 0 HA ALA A 39 10.504 -0.638 -2.974 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.930 0.013 -0.677 1.00 15.00 H new ATOM 0 HB2 ALA A 39 11.243 1.359 -1.798 1.00 15.00 H new ATOM 0 HB3 ALA A 39 9.756 1.343 -0.820 1.00 15.00 H new ATOM 566 N HIS A 40 8.660 -2.204 -2.238 1.00 15.00 N ATOM 567 CA HIS A 40 7.619 -3.112 -1.765 1.00 15.00 C ATOM 568 C HIS A 40 7.957 -4.568 -2.061 1.00 15.00 C ATOM 569 O HIS A 40 8.852 -4.866 -2.848 1.00 15.00 O ATOM 570 CB HIS A 40 6.264 -2.756 -2.410 1.00 15.00 C ATOM 571 CG HIS A 40 6.190 -2.989 -3.896 1.00 15.00 C ATOM 572 ND1 HIS A 40 6.642 -2.052 -4.798 1.00 15.00 N ATOM 573 CD2 HIS A 40 5.702 -4.056 -4.578 1.00 15.00 C ATOM 574 CE1 HIS A 40 6.421 -2.565 -5.999 1.00 15.00 C ATOM 575 NE2 HIS A 40 5.855 -3.776 -5.911 1.00 15.00 N ATOM 0 H HIS A 40 9.370 -2.639 -2.827 1.00 15.00 H new ATOM 0 HA HIS A 40 7.554 -2.993 -0.683 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.482 -3.341 -1.926 1.00 15.00 H new ATOM 0 HB3 HIS A 40 6.047 -1.707 -2.210 1.00 15.00 H new ATOM 0 HD2 HIS A 40 5.276 -4.952 -4.153 1.00 15.00 H new ATOM 0 HE1 HIS A 40 6.665 -2.071 -6.928 1.00 15.00 H new ATOM 0 HE2 HIS A 40 5.588 -4.377 -6.690 1.00 15.00 H new ATOM 583 N GLY A 41 7.225 -5.464 -1.414 1.00 15.00 N ATOM 584 CA GLY A 41 7.415 -6.884 -1.617 1.00 15.00 C ATOM 585 C GLY A 41 6.082 -7.598 -1.718 1.00 15.00 C ATOM 586 O GLY A 41 5.986 -8.808 -1.498 1.00 15.00 O ATOM 0 H GLY A 41 6.494 -5.227 -0.744 1.00 15.00 H new ATOM 0 HA2 GLY A 41 7.992 -7.052 -2.527 1.00 15.00 H new ATOM 0 HA3 GLY A 41 7.993 -7.299 -0.792 1.00 15.00 H new ATOM 590 N TYR A 42 5.049 -6.834 -2.054 1.00 15.00 N ATOM 591 CA TYR A 42 3.703 -7.372 -2.178 1.00 15.00 C ATOM 592 C TYR A 42 3.450 -7.888 -3.590 1.00 15.00 C ATOM 593 O TYR A 42 2.814 -7.216 -4.399 1.00 15.00 O ATOM 594 CB TYR A 42 2.655 -6.309 -1.835 1.00 15.00 C ATOM 595 CG TYR A 42 2.680 -5.837 -0.399 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.490 -4.778 -0.013 1.00 15.00 C ATOM 597 CD2 TYR A 42 1.875 -6.434 0.569 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.504 -4.326 1.291 1.00 15.00 C ATOM 599 CE2 TYR A 42 1.887 -5.988 1.879 1.00 15.00 C ATOM 600 CZ TYR A 42 2.701 -4.936 2.234 1.00 15.00 C ATOM 601 OH TYR A 42 2.710 -4.484 3.536 1.00 15.00 O ATOM 0 H TYR A 42 5.121 -5.835 -2.246 1.00 15.00 H new ATOM 0 HA TYR A 42 3.617 -8.200 -1.474 1.00 15.00 H new ATOM 0 HB2 TYR A 42 2.802 -5.449 -2.488 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.665 -6.710 -2.054 1.00 15.00 H new ATOM 0 HD1 TYR A 42 4.121 -4.299 -0.747 1.00 15.00 H new ATOM 0 HD2 TYR A 42 1.232 -7.257 0.293 1.00 15.00 H new ATOM 0 HE1 TYR A 42 4.140 -3.499 1.572 1.00 15.00 H new ATOM 0 HE2 TYR A 42 1.261 -6.463 2.620 1.00 15.00 H new ATOM 0 HH TYR A 42 2.438 -5.210 4.136 1.00 15.00 H new ATOM 611 N ILE A 43 3.964 -9.069 -3.885 1.00 15.00 N ATOM 612 CA ILE A 43 3.773 -9.669 -5.199 1.00 15.00 C ATOM 613 C ILE A 43 2.436 -10.408 -5.242 1.00 15.00 C ATOM 614 O ILE A 43 2.157 -11.226 -4.368 1.00 15.00 O ATOM 615 CB ILE A 43 4.917 -10.650 -5.546 1.00 15.00 C ATOM 616 CG1 ILE A 43 6.285 -9.993 -5.317 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.794 -11.139 -6.985 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.498 -8.720 -6.112 1.00 15.00 C ATOM 0 H ILE A 43 4.515 -9.632 -3.237 1.00 15.00 H new ATOM 0 HA ILE A 43 3.778 -8.867 -5.937 1.00 15.00 H new ATOM 0 HB ILE A 43 4.835 -11.512 -4.884 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.396 -9.770 -4.256 1.00 15.00 H new ATOM 0 HG13 ILE A 43 7.067 -10.706 -5.576 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.609 -11.828 -7.206 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.841 -11.652 -7.115 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.844 -10.288 -7.664 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.487 -8.317 -5.895 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.421 -8.939 -7.177 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.739 -7.988 -5.836 1.00 15.00 H new ATOM 630 N PRO A 44 1.590 -10.121 -6.252 1.00 15.00 N ATOM 631 CA PRO A 44 0.271 -10.762 -6.400 1.00 15.00 C ATOM 632 C PRO A 44 0.337 -12.289 -6.360 1.00 15.00 C ATOM 633 O PRO A 44 -0.577 -12.942 -5.870 1.00 15.00 O ATOM 634 CB PRO A 44 -0.198 -10.290 -7.778 1.00 15.00 C ATOM 635 CG PRO A 44 0.516 -9.007 -8.014 1.00 15.00 C ATOM 636 CD PRO A 44 1.843 -9.132 -7.319 1.00 15.00 C ATOM 0 HA PRO A 44 -0.397 -10.492 -5.582 1.00 15.00 H new ATOM 0 HB2 PRO A 44 0.043 -11.022 -8.548 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.279 -10.149 -7.799 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.651 -8.827 -9.081 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.053 -8.166 -7.618 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.622 -9.471 -8.002 1.00 15.00 H new ATOM 0 HD3 PRO A 44 2.172 -8.177 -6.909 1.00 15.00 H new ATOM 644 N SER A 45 1.430 -12.843 -6.868 1.00 15.00 N ATOM 645 CA SER A 45 1.627 -14.285 -6.899 1.00 15.00 C ATOM 646 C SER A 45 1.808 -14.856 -5.487 1.00 15.00 C ATOM 647 O SER A 45 1.612 -16.053 -5.260 1.00 15.00 O ATOM 648 CB SER A 45 2.846 -14.606 -7.764 1.00 15.00 C ATOM 649 OG SER A 45 3.059 -13.582 -8.729 1.00 15.00 O ATOM 0 H SER A 45 2.201 -12.308 -7.268 1.00 15.00 H new ATOM 0 HA SER A 45 0.739 -14.750 -7.327 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.729 -14.708 -7.134 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.700 -15.562 -8.267 1.00 15.00 H new ATOM 0 HG SER A 45 3.844 -13.803 -9.273 1.00 15.00 H new ATOM 655 N LYS A 46 2.171 -13.991 -4.546 1.00 15.00 N ATOM 656 CA LYS A 46 2.379 -14.396 -3.161 1.00 15.00 C ATOM 657 C LYS A 46 1.054 -14.435 -2.410 1.00 15.00 C ATOM 658 O LYS A 46 0.920 -15.124 -1.398 1.00 15.00 O ATOM 659 CB LYS A 46 3.351 -13.440 -2.462 1.00 15.00 C ATOM 660 CG LYS A 46 4.793 -13.593 -2.920 1.00 15.00 C ATOM 661 CD LYS A 46 5.644 -12.392 -2.535 1.00 15.00 C ATOM 662 CE LYS A 46 5.806 -12.259 -1.027 1.00 15.00 C ATOM 663 NZ LYS A 46 7.057 -11.537 -0.671 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.328 -12.998 -4.720 1.00 15.00 H new ATOM 0 HA LYS A 46 2.811 -15.397 -3.160 1.00 15.00 H new ATOM 0 HB2 LYS A 46 3.029 -12.414 -2.640 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.301 -13.607 -1.386 1.00 15.00 H new ATOM 0 HG2 LYS A 46 5.219 -14.495 -2.481 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.818 -13.723 -4.002 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.627 -12.483 -2.997 1.00 15.00 H new ATOM 0 HD3 LYS A 46 5.188 -11.484 -2.931 1.00 15.00 H new ATOM 0 HE2 LYS A 46 4.949 -11.727 -0.614 1.00 15.00 H new ATOM 0 HE3 LYS A 46 5.816 -13.250 -0.573 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 7.093 -11.391 0.358 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.879 -12.099 -0.969 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 7.075 -10.615 -1.153 1.00 15.00 H new ATOM 677 N PHE A 47 0.076 -13.687 -2.912 1.00 15.00 N ATOM 678 CA PHE A 47 -1.247 -13.638 -2.295 1.00 15.00 C ATOM 679 C PHE A 47 -2.345 -13.792 -3.350 1.00 15.00 C ATOM 680 O PHE A 47 -3.146 -12.877 -3.557 1.00 15.00 O ATOM 681 CB PHE A 47 -1.457 -12.321 -1.534 1.00 15.00 C ATOM 682 CG PHE A 47 -0.213 -11.742 -0.924 1.00 15.00 C ATOM 683 CD1 PHE A 47 0.248 -12.179 0.308 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.494 -10.752 -1.584 1.00 15.00 C ATOM 685 CE1 PHE A 47 1.390 -11.639 0.867 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.635 -10.208 -1.030 1.00 15.00 C ATOM 687 CZ PHE A 47 2.084 -10.652 0.197 1.00 15.00 C ATOM 0 H PHE A 47 0.174 -13.106 -3.745 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.306 -14.467 -1.589 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.886 -11.587 -2.217 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.189 -12.487 -0.744 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -0.292 -12.951 0.837 1.00 15.00 H new ATOM 0 HD2 PHE A 47 0.148 -10.401 -2.545 1.00 15.00 H new ATOM 0 HE1 PHE A 47 1.739 -11.989 1.827 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.176 -9.436 -1.556 1.00 15.00 H new ATOM 0 HZ PHE A 47 2.977 -10.228 0.632 1.00 15.00 H new ATOM 697 N PRO A 48 -2.413 -14.951 -4.028 1.00 15.00 N ATOM 698 CA PRO A 48 -3.432 -15.189 -5.050 1.00 15.00 C ATOM 699 C PRO A 48 -4.807 -15.400 -4.425 1.00 15.00 C ATOM 700 O PRO A 48 -5.834 -15.308 -5.097 1.00 15.00 O ATOM 701 CB PRO A 48 -2.951 -16.464 -5.742 1.00 15.00 C ATOM 702 CG PRO A 48 -2.145 -17.180 -4.715 1.00 15.00 C ATOM 703 CD PRO A 48 -1.518 -16.115 -3.856 1.00 15.00 C ATOM 0 HA PRO A 48 -3.546 -14.347 -5.732 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -3.791 -17.072 -6.078 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.352 -16.233 -6.623 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -2.773 -17.841 -4.118 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -1.382 -17.802 -5.183 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -1.461 -16.425 -2.813 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.501 -15.889 -4.177 1.00 15.00 H new ATOM 711 N ASN A 49 -4.806 -15.643 -3.122 1.00 15.00 N ATOM 712 CA ASN A 49 -6.029 -15.877 -2.367 1.00 15.00 C ATOM 713 C ASN A 49 -6.788 -14.577 -2.129 1.00 15.00 C ATOM 714 O ASN A 49 -7.993 -14.588 -1.890 1.00 15.00 O ATOM 715 CB ASN A 49 -5.714 -16.541 -1.021 1.00 15.00 C ATOM 716 CG ASN A 49 -4.827 -15.685 -0.125 1.00 15.00 C ATOM 717 OD1 ASN A 49 -3.899 -15.022 -0.591 1.00 15.00 O ATOM 718 ND2 ASN A 49 -5.118 -15.683 1.168 1.00 15.00 N ATOM 0 H ASN A 49 -3.957 -15.684 -2.558 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.657 -16.543 -2.958 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -6.648 -16.754 -0.501 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.223 -17.498 -1.201 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -4.566 -15.119 1.814 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -5.894 -16.245 1.517 1.00 15.00 H new ATOM 725 N LYS A 50 -6.085 -13.453 -2.203 1.00 15.00 N ATOM 726 CA LYS A 50 -6.717 -12.156 -1.979 1.00 15.00 C ATOM 727 C LYS A 50 -7.110 -11.490 -3.294 1.00 15.00 C ATOM 728 O LYS A 50 -7.555 -10.346 -3.307 1.00 15.00 O ATOM 729 CB LYS A 50 -5.796 -11.247 -1.162 1.00 15.00 C ATOM 730 CG LYS A 50 -5.617 -11.702 0.282 1.00 15.00 C ATOM 731 CD LYS A 50 -6.944 -11.734 1.034 1.00 15.00 C ATOM 732 CE LYS A 50 -6.767 -12.227 2.462 1.00 15.00 C ATOM 733 NZ LYS A 50 -8.033 -12.776 3.023 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.088 -13.411 -2.414 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.632 -12.324 -1.412 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.820 -11.204 -1.645 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -6.199 -10.234 -1.168 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -5.166 -12.694 0.297 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -4.926 -11.030 0.792 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -7.381 -10.735 1.045 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -7.645 -12.383 0.509 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -5.995 -12.997 2.487 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -6.419 -11.406 3.089 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -7.820 -13.607 3.611 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -8.499 -12.050 3.604 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -8.665 -13.055 2.246 1.00 15.00 H new ATOM 747 N ASN A 51 -6.941 -12.227 -4.388 1.00 15.00 N ATOM 748 CA ASN A 51 -7.293 -11.756 -5.730 1.00 15.00 C ATOM 749 C ASN A 51 -6.689 -10.390 -6.057 1.00 15.00 C ATOM 750 O ASN A 51 -7.411 -9.412 -6.266 1.00 15.00 O ATOM 751 CB ASN A 51 -8.818 -11.708 -5.896 1.00 15.00 C ATOM 752 CG ASN A 51 -9.248 -11.480 -7.339 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.567 -11.889 -8.279 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.389 -10.830 -7.525 1.00 15.00 N ATOM 0 H ASN A 51 -6.555 -13.171 -4.372 1.00 15.00 H new ATOM 0 HA ASN A 51 -6.868 -12.471 -6.434 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.247 -12.643 -5.537 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.222 -10.911 -5.271 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.728 -10.655 -8.471 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -10.928 -10.505 -6.722 1.00 15.00 H new ATOM 761 N LEU A 52 -5.367 -10.315 -6.067 1.00 15.00 N ATOM 762 CA LEU A 52 -4.700 -9.070 -6.412 1.00 15.00 C ATOM 763 C LEU A 52 -4.583 -8.988 -7.927 1.00 15.00 C ATOM 764 O LEU A 52 -3.808 -9.729 -8.531 1.00 15.00 O ATOM 765 CB LEU A 52 -3.304 -8.996 -5.777 1.00 15.00 C ATOM 766 CG LEU A 52 -3.236 -8.310 -4.405 1.00 15.00 C ATOM 767 CD1 LEU A 52 -3.902 -9.169 -3.345 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.791 -8.021 -4.024 1.00 15.00 C ATOM 0 H LEU A 52 -4.742 -11.090 -5.844 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.285 -8.233 -6.030 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -2.916 -10.010 -5.676 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.641 -8.467 -6.461 1.00 15.00 H new ATOM 0 HG LEU A 52 -3.773 -7.363 -4.468 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.844 -8.666 -2.380 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -4.948 -9.327 -3.609 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.394 -10.131 -3.284 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -1.762 -7.535 -3.049 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.232 -8.956 -3.980 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -1.342 -7.365 -4.770 1.00 15.00 H new ATOM 780 N LYS A 53 -5.340 -8.085 -8.537 1.00 15.00 N ATOM 781 CA LYS A 53 -5.330 -7.937 -9.987 1.00 15.00 C ATOM 782 C LYS A 53 -5.417 -6.470 -10.385 1.00 15.00 C ATOM 783 O LYS A 53 -6.067 -5.672 -9.703 1.00 15.00 O ATOM 784 CB LYS A 53 -6.501 -8.707 -10.617 1.00 15.00 C ATOM 785 CG LYS A 53 -6.486 -10.210 -10.351 1.00 15.00 C ATOM 786 CD LYS A 53 -5.319 -10.904 -11.040 1.00 15.00 C ATOM 787 CE LYS A 53 -5.089 -12.301 -10.479 1.00 15.00 C ATOM 788 NZ LYS A 53 -3.903 -12.964 -11.085 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.968 -7.445 -8.051 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.390 -8.348 -10.355 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.436 -8.293 -10.240 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.491 -8.541 -11.694 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -6.429 -10.387 -9.277 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -7.422 -10.648 -10.697 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.514 -10.968 -12.111 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.415 -10.308 -10.916 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -4.956 -12.239 -9.399 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -5.974 -12.912 -10.656 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -3.786 -13.912 -10.673 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.040 -13.048 -12.113 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -3.053 -12.396 -10.894 1.00 15.00 H new ATOM 802 N LYS A 54 -4.762 -6.138 -11.494 1.00 15.00 N ATOM 803 CA LYS A 54 -4.741 -4.780 -12.034 1.00 15.00 C ATOM 804 C LYS A 54 -4.289 -3.768 -10.980 1.00 15.00 C ATOM 805 O LYS A 54 -3.311 -3.996 -10.264 1.00 15.00 O ATOM 806 CB LYS A 54 -6.124 -4.401 -12.589 1.00 15.00 C ATOM 807 CG LYS A 54 -6.660 -5.364 -13.641 1.00 15.00 C ATOM 808 CD LYS A 54 -5.790 -5.376 -14.888 1.00 15.00 C ATOM 809 CE LYS A 54 -6.377 -6.282 -15.963 1.00 15.00 C ATOM 810 NZ LYS A 54 -5.515 -6.356 -17.173 1.00 15.00 N1+ ATOM 0 H LYS A 54 -4.227 -6.807 -12.048 1.00 15.00 H new ATOM 0 HA LYS A 54 -4.018 -4.755 -12.850 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.833 -4.351 -11.763 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.068 -3.402 -13.022 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.710 -6.369 -13.222 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.677 -5.080 -13.910 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.693 -4.362 -15.277 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.787 -5.716 -14.631 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -6.514 -7.284 -15.556 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -7.364 -5.915 -16.245 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.956 -6.984 -17.875 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.405 -5.405 -17.579 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -4.581 -6.731 -16.911 1.00 15.00 H new ATOM 824 N ASN A 55 -5.002 -2.655 -10.894 1.00 15.00 N ATOM 825 CA ASN A 55 -4.687 -1.602 -9.940 1.00 15.00 C ATOM 826 C ASN A 55 -5.903 -1.289 -9.076 1.00 15.00 C ATOM 827 O ASN A 55 -6.182 -0.133 -8.757 1.00 15.00 O ATOM 828 CB ASN A 55 -4.213 -0.336 -10.669 1.00 15.00 C ATOM 829 CG ASN A 55 -5.261 0.272 -11.590 1.00 15.00 C ATOM 830 OD1 ASN A 55 -6.088 -0.430 -12.178 1.00 15.00 O ATOM 831 ND2 ASN A 55 -5.227 1.590 -11.718 1.00 15.00 N ATOM 0 H ASN A 55 -5.812 -2.457 -11.481 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.880 -1.952 -9.296 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.917 0.408 -9.930 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.325 -0.576 -11.253 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.901 2.061 -12.321 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.526 2.133 -11.214 1.00 15.00 H new ATOM 838 N TYR A 56 -6.627 -2.330 -8.693 1.00 15.00 N ATOM 839 CA TYR A 56 -7.813 -2.157 -7.866 1.00 15.00 C ATOM 840 C TYR A 56 -7.451 -2.260 -6.393 1.00 15.00 C ATOM 841 O TYR A 56 -6.602 -3.068 -6.015 1.00 15.00 O ATOM 842 CB TYR A 56 -8.874 -3.197 -8.226 1.00 15.00 C ATOM 843 CG TYR A 56 -9.386 -3.053 -9.641 1.00 15.00 C ATOM 844 CD1 TYR A 56 -9.394 -4.135 -10.515 1.00 15.00 C ATOM 845 CD2 TYR A 56 -9.854 -1.832 -10.105 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.849 -3.998 -11.813 1.00 15.00 C ATOM 847 CE2 TYR A 56 -10.313 -1.690 -11.399 1.00 15.00 C ATOM 848 CZ TYR A 56 -10.310 -2.775 -12.248 1.00 15.00 C ATOM 849 OH TYR A 56 -10.758 -2.627 -13.541 1.00 15.00 O ATOM 0 H TYR A 56 -6.417 -3.297 -8.939 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.223 -1.165 -8.055 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -8.455 -4.195 -8.097 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.710 -3.110 -7.532 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -9.039 -5.097 -10.174 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -9.859 -0.979 -9.443 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.843 -4.845 -12.483 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -10.673 -0.732 -11.745 1.00 15.00 H new ATOM 0 HH TYR A 56 -11.049 -1.702 -13.683 1.00 15.00 H new ATOM 859 N CYS A 57 -8.087 -1.429 -5.575 1.00 15.00 N ATOM 860 CA CYS A 57 -7.840 -1.416 -4.136 1.00 15.00 C ATOM 861 C CYS A 57 -8.148 -2.777 -3.513 1.00 15.00 C ATOM 862 O CYS A 57 -9.208 -3.360 -3.761 1.00 15.00 O ATOM 863 CB CYS A 57 -8.681 -0.324 -3.468 1.00 15.00 C ATOM 864 SG CYS A 57 -8.161 0.083 -1.786 1.00 15.00 S ATOM 0 H CYS A 57 -8.782 -0.751 -5.886 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.784 -1.202 -3.973 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.637 0.578 -4.079 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.723 -0.644 -3.447 1.00 15.00 H new ATOM 0 HG CYS A 57 -7.015 -0.478 -1.539 1.00 15.00 H new ATOM 870 N ARG A 58 -7.211 -3.275 -2.716 1.00 15.00 N ATOM 871 CA ARG A 58 -7.357 -4.565 -2.052 1.00 15.00 C ATOM 872 C ARG A 58 -6.844 -4.470 -0.624 1.00 15.00 C ATOM 873 O ARG A 58 -6.207 -3.481 -0.251 1.00 15.00 O ATOM 874 CB ARG A 58 -6.571 -5.653 -2.803 1.00 15.00 C ATOM 875 CG ARG A 58 -7.083 -5.947 -4.204 1.00 15.00 C ATOM 876 CD ARG A 58 -8.392 -6.716 -4.176 1.00 15.00 C ATOM 877 NE ARG A 58 -9.461 -5.994 -4.864 1.00 15.00 N ATOM 878 CZ ARG A 58 -10.131 -6.473 -5.912 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.840 -7.674 -6.403 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -11.094 -5.751 -6.478 1.00 15.00 N ATOM 0 H ARG A 58 -6.332 -2.799 -2.512 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.414 -4.832 -2.047 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.526 -5.349 -2.868 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.600 -6.573 -2.219 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -7.223 -5.010 -4.744 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.336 -6.522 -4.751 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -8.251 -7.690 -4.645 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -8.684 -6.899 -3.142 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.710 -5.066 -4.521 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -9.101 -8.234 -5.977 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.356 -8.036 -7.205 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.322 -4.827 -6.110 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.604 -6.121 -7.280 1.00 15.00 H new ATOM 894 N ASN A 59 -7.127 -5.481 0.176 1.00 15.00 N ATOM 895 CA ASN A 59 -6.656 -5.505 1.553 1.00 15.00 C ATOM 896 C ASN A 59 -6.177 -6.898 1.924 1.00 15.00 C ATOM 897 O ASN A 59 -6.945 -7.717 2.427 1.00 15.00 O ATOM 898 CB ASN A 59 -7.745 -5.051 2.528 1.00 15.00 C ATOM 899 CG ASN A 59 -7.168 -4.696 3.887 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.171 -5.272 4.325 1.00 15.00 O ATOM 901 ND2 ASN A 59 -7.790 -3.753 4.566 1.00 15.00 N ATOM 0 H ASN A 59 -7.678 -6.294 -0.100 1.00 15.00 H new ATOM 0 HA ASN A 59 -5.823 -4.806 1.628 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.265 -4.186 2.116 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.485 -5.843 2.642 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -7.448 -3.478 5.487 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -8.613 -3.298 4.171 1.00 15.00 H new ATOM 908 N PRO A 60 -4.894 -7.191 1.671 1.00 15.00 N ATOM 909 CA PRO A 60 -4.313 -8.493 1.976 1.00 15.00 C ATOM 910 C PRO A 60 -3.827 -8.601 3.423 1.00 15.00 C ATOM 911 O PRO A 60 -3.413 -9.674 3.865 1.00 15.00 O ATOM 912 CB PRO A 60 -3.138 -8.566 1.004 1.00 15.00 C ATOM 913 CG PRO A 60 -2.700 -7.152 0.807 1.00 15.00 C ATOM 914 CD PRO A 60 -3.909 -6.278 1.050 1.00 15.00 C ATOM 0 HA PRO A 60 -5.034 -9.304 1.872 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -2.330 -9.175 1.409 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -3.437 -9.020 0.059 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -1.895 -6.898 1.497 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -2.314 -7.005 -0.202 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.671 -5.442 1.707 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -4.289 -5.855 0.120 1.00 15.00 H new ATOM 922 N ASP A 61 -3.886 -7.498 4.160 1.00 15.00 N ATOM 923 CA ASP A 61 -3.433 -7.492 5.551 1.00 15.00 C ATOM 924 C ASP A 61 -4.597 -7.675 6.515 1.00 15.00 C ATOM 925 O ASP A 61 -4.409 -8.147 7.639 1.00 15.00 O ATOM 926 CB ASP A 61 -2.689 -6.195 5.881 1.00 15.00 C ATOM 927 CG ASP A 61 -2.159 -6.193 7.304 1.00 15.00 C ATOM 928 OD1 ASP A 61 -2.448 -5.241 8.054 1.00 15.00 O ATOM 929 OD2 ASP A 61 -1.472 -7.162 7.684 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.239 -6.602 3.824 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.749 -8.332 5.670 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -1.861 -6.064 5.185 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.359 -5.347 5.742 1.00 15.00 H new ATOM 934 N ARG A 62 -5.796 -7.315 6.055 1.00 15.00 N ATOM 935 CA ARG A 62 -7.019 -7.418 6.856 1.00 15.00 C ATOM 936 C ARG A 62 -7.001 -6.375 7.969 1.00 15.00 C ATOM 937 O ARG A 62 -7.495 -6.606 9.073 1.00 15.00 O ATOM 938 CB ARG A 62 -7.190 -8.824 7.445 1.00 15.00 C ATOM 939 CG ARG A 62 -6.997 -9.942 6.431 1.00 15.00 C ATOM 940 CD ARG A 62 -6.596 -11.240 7.109 1.00 15.00 C ATOM 941 NE ARG A 62 -5.462 -11.053 8.013 1.00 15.00 N ATOM 942 CZ ARG A 62 -5.406 -11.536 9.251 1.00 15.00 C ATOM 943 NH1 ARG A 62 -6.418 -12.240 9.747 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -4.335 -11.314 10.000 1.00 15.00 N ATOM 0 H ARG A 62 -5.948 -6.944 5.117 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.869 -7.230 6.200 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -6.476 -8.956 8.258 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -8.187 -8.907 7.879 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -7.921 -10.092 5.872 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -6.231 -9.654 5.711 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -7.444 -11.636 7.667 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.339 -11.981 6.352 1.00 15.00 H new ATOM 0 HE ARG A 62 -4.663 -10.518 7.673 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -7.246 -12.414 9.177 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -6.367 -12.607 10.697 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -3.555 -10.773 9.627 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -4.291 -11.684 10.950 1.00 15.00 H new ATOM 958 N ASP A 63 -6.416 -5.229 7.658 1.00 15.00 N ATOM 959 CA ASP A 63 -6.308 -4.115 8.595 1.00 15.00 C ATOM 960 C ASP A 63 -7.611 -3.314 8.643 1.00 15.00 C ATOM 961 O ASP A 63 -8.639 -3.758 8.132 1.00 15.00 O ATOM 962 CB ASP A 63 -5.131 -3.208 8.228 1.00 15.00 C ATOM 963 CG ASP A 63 -5.448 -2.280 7.081 1.00 15.00 C ATOM 964 OD1 ASP A 63 -5.631 -1.069 7.331 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.517 -2.763 5.938 1.00 15.00 O1- ATOM 0 H ASP A 63 -6.000 -5.042 6.746 1.00 15.00 H new ATOM 0 HA ASP A 63 -6.125 -4.527 9.588 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -4.846 -2.618 9.099 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -4.271 -3.824 7.965 1.00 15.00 H new ATOM 970 N LEU A 64 -7.548 -2.138 9.270 1.00 15.00 N ATOM 971 CA LEU A 64 -8.705 -1.256 9.446 1.00 15.00 C ATOM 972 C LEU A 64 -9.507 -1.048 8.158 1.00 15.00 C ATOM 973 O LEU A 64 -10.734 -1.167 8.172 1.00 15.00 O ATOM 974 CB LEU A 64 -8.238 0.110 9.959 1.00 15.00 C ATOM 975 CG LEU A 64 -7.546 0.096 11.327 1.00 15.00 C ATOM 976 CD1 LEU A 64 -6.468 1.166 11.391 1.00 15.00 C ATOM 977 CD2 LEU A 64 -8.558 0.304 12.441 1.00 15.00 C ATOM 0 H LEU A 64 -6.687 -1.768 9.673 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.361 -1.745 10.166 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -7.552 0.539 9.228 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.101 0.773 10.014 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.078 -0.879 11.461 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -5.988 1.141 12.369 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -5.724 0.979 10.617 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -6.918 2.146 11.233 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -8.047 0.291 13.404 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -9.054 1.265 12.307 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -9.299 -0.494 12.413 1.00 15.00 H new ATOM 989 N ARG A 65 -8.839 -0.733 7.054 1.00 15.00 N ATOM 990 CA ARG A 65 -9.544 -0.515 5.792 1.00 15.00 C ATOM 991 C ARG A 65 -8.609 -0.681 4.600 1.00 15.00 C ATOM 992 O ARG A 65 -7.403 -0.488 4.726 1.00 15.00 O ATOM 993 CB ARG A 65 -10.205 0.870 5.763 1.00 15.00 C ATOM 994 CG ARG A 65 -9.247 2.030 5.984 1.00 15.00 C ATOM 995 CD ARG A 65 -9.967 3.358 5.816 1.00 15.00 C ATOM 996 NE ARG A 65 -9.163 4.490 6.283 1.00 15.00 N ATOM 997 CZ ARG A 65 -9.551 5.766 6.212 1.00 15.00 C ATOM 998 NH1 ARG A 65 -10.734 6.081 5.689 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -8.752 6.729 6.659 1.00 15.00 N ATOM 0 H ARG A 65 -7.826 -0.624 7.004 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.325 -1.272 5.719 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.700 1.002 4.801 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -10.980 0.905 6.528 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -8.816 1.968 6.983 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -8.421 1.966 5.276 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -10.218 3.502 4.765 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -10.907 3.331 6.367 1.00 15.00 H new ATOM 0 HE ARG A 65 -8.248 4.291 6.688 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -11.349 5.346 5.340 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -11.025 7.057 5.637 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -7.842 6.494 7.056 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -9.048 7.704 6.605 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.163 -1.051 3.426 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.380 -1.259 2.200 1.00 15.00 C ATOM 1015 C PRO A 66 -7.518 -0.060 1.816 1.00 15.00 C ATOM 1016 O PRO A 66 -7.894 1.099 2.027 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.446 -1.506 1.132 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.634 -1.999 1.875 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.601 -1.302 3.203 1.00 15.00 C ATOM 0 HA PRO A 66 -7.670 -2.077 2.324 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.675 -0.591 0.585 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.107 -2.239 0.400 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.554 -1.772 1.337 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.596 -3.081 2.000 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.172 -0.374 3.183 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.027 -1.922 3.992 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.365 -0.359 1.240 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.419 0.654 0.811 1.00 15.00 C ATOM 1029 C TRP A 67 -4.848 0.270 -0.542 1.00 15.00 C ATOM 1030 O TRP A 67 -5.188 -0.786 -1.092 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.290 0.816 1.840 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.875 -0.472 2.485 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.521 -1.115 3.497 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.722 -1.266 2.177 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.855 -2.262 3.833 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.744 -2.381 3.042 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.673 -1.149 1.257 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -1.761 -3.368 3.010 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.700 -2.130 1.228 1.00 15.00 C ATOM 1040 CH2 TRP A 67 -0.748 -3.225 2.101 1.00 15.00 C ATOM 0 H TRP A 67 -6.059 -1.315 1.057 1.00 15.00 H new ATOM 0 HA TRP A 67 -5.938 1.609 0.727 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.425 1.262 1.350 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.613 1.513 2.614 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.430 -0.769 3.967 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -4.140 -2.922 4.556 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.625 -0.307 0.582 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -1.797 -4.215 3.679 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.112 -2.051 0.520 1.00 15.00 H new ATOM 0 HH2 TRP A 67 0.031 -3.972 2.056 1.00 15.00 H new ATOM 1051 N CYS A 68 -4.001 1.122 -1.086 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.395 0.865 -2.376 1.00 15.00 C ATOM 1053 C CYS A 68 -2.180 1.757 -2.589 1.00 15.00 C ATOM 1054 O CYS A 68 -2.074 2.829 -1.986 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.422 1.098 -3.486 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.364 2.633 -3.311 1.00 15.00 S ATOM 0 H CYS A 68 -3.717 2.000 -0.652 1.00 15.00 H new ATOM 0 HA CYS A 68 -3.064 -0.173 -2.405 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.907 1.108 -4.447 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -5.117 0.258 -3.506 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.204 2.742 -4.297 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.261 1.304 -3.432 1.00 15.00 N ATOM 1063 CA PHE A 69 -0.055 2.062 -3.736 1.00 15.00 C ATOM 1064 C PHE A 69 -0.373 3.165 -4.733 1.00 15.00 C ATOM 1065 O PHE A 69 -1.220 2.991 -5.607 1.00 15.00 O ATOM 1066 CB PHE A 69 1.031 1.139 -4.294 1.00 15.00 C ATOM 1067 CG PHE A 69 1.699 0.296 -3.246 1.00 15.00 C ATOM 1068 CD1 PHE A 69 2.850 0.740 -2.614 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.179 -0.939 -2.893 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.471 -0.031 -1.654 1.00 15.00 C ATOM 1071 CE2 PHE A 69 1.795 -1.715 -1.931 1.00 15.00 C ATOM 1072 CZ PHE A 69 2.943 -1.260 -1.310 1.00 15.00 C ATOM 0 H PHE A 69 -1.329 0.411 -3.919 1.00 15.00 H new ATOM 0 HA PHE A 69 0.316 2.513 -2.816 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.590 0.486 -5.047 1.00 15.00 H new ATOM 0 HB3 PHE A 69 1.786 1.743 -4.798 1.00 15.00 H new ATOM 0 HD1 PHE A 69 3.266 1.702 -2.877 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.282 -1.299 -3.375 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.369 0.326 -1.172 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.380 -2.676 -1.664 1.00 15.00 H new ATOM 0 HZ PHE A 69 3.426 -1.865 -0.557 1.00 15.00 H new ATOM 1082 N THR A 70 0.299 4.294 -4.602 1.00 15.00 N ATOM 1083 CA THR A 70 0.069 5.422 -5.489 1.00 15.00 C ATOM 1084 C THR A 70 1.137 5.511 -6.573 1.00 15.00 C ATOM 1085 O THR A 70 2.255 5.028 -6.399 1.00 15.00 O ATOM 1086 CB THR A 70 0.053 6.737 -4.689 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.987 6.655 -3.603 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.340 7.018 -4.147 1.00 15.00 C ATOM 0 H THR A 70 1.010 4.455 -3.889 1.00 15.00 H new ATOM 0 HA THR A 70 -0.898 5.266 -5.967 1.00 15.00 H new ATOM 0 HB THR A 70 0.338 7.552 -5.355 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.870 6.952 -3.908 1.00 15.00 H new ATOM 0 HG21 THR A 70 -1.330 7.952 -3.585 1.00 15.00 H new ATOM 0 HG22 THR A 70 -2.043 7.101 -4.976 1.00 15.00 H new ATOM 0 HG23 THR A 70 -1.647 6.203 -3.492 1.00 15.00 H new ATOM 1096 N THR A 71 0.784 6.123 -7.697 1.00 15.00 N ATOM 1097 CA THR A 71 1.718 6.296 -8.802 1.00 15.00 C ATOM 1098 C THR A 71 2.512 7.595 -8.644 1.00 15.00 C ATOM 1099 O THR A 71 3.252 8.007 -9.545 1.00 15.00 O ATOM 1100 CB THR A 71 0.970 6.313 -10.148 1.00 15.00 C ATOM 1101 OG1 THR A 71 -0.362 6.812 -9.951 1.00 15.00 O ATOM 1102 CG2 THR A 71 0.908 4.918 -10.756 1.00 15.00 C ATOM 0 H THR A 71 -0.145 6.509 -7.867 1.00 15.00 H new ATOM 0 HA THR A 71 2.409 5.453 -8.788 1.00 15.00 H new ATOM 0 HB THR A 71 1.512 6.963 -10.835 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.837 6.824 -10.808 1.00 15.00 H new ATOM 0 HG21 THR A 71 0.375 4.958 -11.706 1.00 15.00 H new ATOM 0 HG22 THR A 71 1.920 4.549 -10.923 1.00 15.00 H new ATOM 0 HG23 THR A 71 0.385 4.247 -10.075 1.00 15.00 H new ATOM 1110 N ASP A 72 2.351 8.231 -7.491 1.00 15.00 N ATOM 1111 CA ASP A 72 3.033 9.483 -7.191 1.00 15.00 C ATOM 1112 C ASP A 72 4.192 9.230 -6.233 1.00 15.00 C ATOM 1113 O ASP A 72 3.982 8.707 -5.145 1.00 15.00 O ATOM 1114 CB ASP A 72 2.053 10.470 -6.561 1.00 15.00 C ATOM 1115 CG ASP A 72 2.185 11.870 -7.122 1.00 15.00 C ATOM 1116 OD1 ASP A 72 3.326 12.340 -7.306 1.00 15.00 O ATOM 1117 OD2 ASP A 72 1.143 12.508 -7.386 1.00 15.00 O1- ATOM 0 H ASP A 72 1.747 7.896 -6.741 1.00 15.00 H new ATOM 0 HA ASP A 72 3.422 9.904 -8.118 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.035 10.115 -6.720 1.00 15.00 H new ATOM 0 HB3 ASP A 72 2.216 10.499 -5.484 1.00 15.00 H new ATOM 1122 N PRO A 73 5.425 9.608 -6.615 1.00 15.00 N ATOM 1123 CA PRO A 73 6.622 9.396 -5.784 1.00 15.00 C ATOM 1124 C PRO A 73 6.558 10.100 -4.426 1.00 15.00 C ATOM 1125 O PRO A 73 7.322 9.778 -3.517 1.00 15.00 O ATOM 1126 CB PRO A 73 7.760 9.983 -6.625 1.00 15.00 C ATOM 1127 CG PRO A 73 7.237 10.048 -8.015 1.00 15.00 C ATOM 1128 CD PRO A 73 5.757 10.261 -7.891 1.00 15.00 C ATOM 0 HA PRO A 73 6.742 8.340 -5.542 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.043 10.973 -6.266 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.651 9.357 -6.570 1.00 15.00 H new ATOM 0 HG2 PRO A 73 7.703 10.862 -8.569 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.455 9.128 -8.557 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.503 11.321 -7.878 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.215 9.814 -8.724 1.00 15.00 H new ATOM 1136 N ASN A 74 5.647 11.059 -4.290 1.00 15.00 N ATOM 1137 CA ASN A 74 5.497 11.797 -3.038 1.00 15.00 C ATOM 1138 C ASN A 74 4.769 10.952 -1.996 1.00 15.00 C ATOM 1139 O ASN A 74 4.841 11.235 -0.797 1.00 15.00 O ATOM 1140 CB ASN A 74 4.740 13.115 -3.282 1.00 15.00 C ATOM 1141 CG ASN A 74 3.248 13.007 -3.017 1.00 15.00 C ATOM 1142 OD1 ASN A 74 2.498 12.480 -3.834 1.00 15.00 O ATOM 1143 ND2 ASN A 74 2.805 13.533 -1.884 1.00 15.00 N ATOM 0 H ASN A 74 5.003 11.343 -5.028 1.00 15.00 H new ATOM 0 HA ASN A 74 6.491 12.029 -2.656 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.161 13.891 -2.643 1.00 15.00 H new ATOM 0 HB3 ASN A 74 4.897 13.431 -4.313 1.00 15.00 H new ATOM 0 HD21 ASN A 74 1.809 13.509 -1.666 1.00 15.00 H new ATOM 0 HD22 ASN A 74 3.460 13.962 -1.230 1.00 15.00 H new ATOM 1150 N LYS A 75 4.087 9.909 -2.451 1.00 15.00 N ATOM 1151 CA LYS A 75 3.342 9.039 -1.554 1.00 15.00 C ATOM 1152 C LYS A 75 3.672 7.573 -1.819 1.00 15.00 C ATOM 1153 O LYS A 75 4.058 7.203 -2.927 1.00 15.00 O ATOM 1154 CB LYS A 75 1.841 9.273 -1.723 1.00 15.00 C ATOM 1155 CG LYS A 75 1.118 9.554 -0.417 1.00 15.00 C ATOM 1156 CD LYS A 75 1.607 10.843 0.224 1.00 15.00 C ATOM 1157 CE LYS A 75 0.954 11.077 1.573 1.00 15.00 C ATOM 1158 NZ LYS A 75 1.184 9.942 2.507 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.035 9.646 -3.435 1.00 15.00 H new ATOM 0 HA LYS A 75 3.630 9.277 -0.530 1.00 15.00 H new ATOM 0 HB2 LYS A 75 1.687 10.112 -2.402 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.396 8.396 -2.194 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.046 9.622 -0.601 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.272 8.723 0.271 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.689 10.802 0.345 1.00 15.00 H new ATOM 0 HD3 LYS A 75 1.391 11.683 -0.436 1.00 15.00 H new ATOM 0 HE2 LYS A 75 1.348 11.994 2.012 1.00 15.00 H new ATOM 0 HE3 LYS A 75 -0.118 11.223 1.437 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 1.016 10.257 3.484 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 0.532 9.165 2.277 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 2.165 9.609 2.414 1.00 15.00 H new ATOM 1172 N ARG A 76 3.538 6.745 -0.796 1.00 15.00 N ATOM 1173 CA ARG A 76 3.819 5.322 -0.931 1.00 15.00 C ATOM 1174 C ARG A 76 2.521 4.550 -1.127 1.00 15.00 C ATOM 1175 O ARG A 76 2.293 3.940 -2.171 1.00 15.00 O ATOM 1176 CB ARG A 76 4.551 4.809 0.312 1.00 15.00 C ATOM 1177 CG ARG A 76 5.735 5.673 0.712 1.00 15.00 C ATOM 1178 CD ARG A 76 7.053 5.041 0.311 1.00 15.00 C ATOM 1179 NE ARG A 76 7.559 4.139 1.342 1.00 15.00 N ATOM 1180 CZ ARG A 76 8.850 3.972 1.611 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.769 4.642 0.924 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 9.222 3.123 2.557 1.00 15.00 N ATOM 0 H ARG A 76 3.237 7.031 0.136 1.00 15.00 H new ATOM 0 HA ARG A 76 4.456 5.171 -1.802 1.00 15.00 H new ATOM 0 HB2 ARG A 76 3.849 4.760 1.144 1.00 15.00 H new ATOM 0 HB3 ARG A 76 4.898 3.792 0.127 1.00 15.00 H new ATOM 0 HG2 ARG A 76 5.644 6.653 0.244 1.00 15.00 H new ATOM 0 HG3 ARG A 76 5.721 5.832 1.790 1.00 15.00 H new ATOM 0 HD2 ARG A 76 6.923 4.491 -0.621 1.00 15.00 H new ATOM 0 HD3 ARG A 76 7.788 5.823 0.120 1.00 15.00 H new ATOM 0 HE ARG A 76 6.882 3.606 1.888 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.485 5.287 0.187 1.00 15.00 H new ATOM 0 HH12 ARG A 76 10.759 4.511 1.134 1.00 15.00 H new ATOM 0 HH21 ARG A 76 8.518 2.599 3.077 1.00 15.00 H new ATOM 0 HH22 ARG A 76 10.212 2.993 2.765 1.00 15.00 H new ATOM 1196 N TRP A 77 1.670 4.600 -0.118 1.00 15.00 N ATOM 1197 CA TRP A 77 0.385 3.925 -0.153 1.00 15.00 C ATOM 1198 C TRP A 77 -0.622 4.732 0.638 1.00 15.00 C ATOM 1199 O TRP A 77 -0.274 5.343 1.648 1.00 15.00 O ATOM 1200 CB TRP A 77 0.489 2.503 0.421 1.00 15.00 C ATOM 1201 CG TRP A 77 1.302 2.420 1.678 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.632 2.145 1.765 1.00 15.00 C ATOM 1203 CD2 TRP A 77 0.848 2.619 3.025 1.00 15.00 C ATOM 1204 NE1 TRP A 77 3.036 2.164 3.075 1.00 15.00 N ATOM 1205 CE2 TRP A 77 1.961 2.451 3.868 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -0.390 2.926 3.599 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 1.874 2.579 5.253 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -0.475 3.054 4.971 1.00 15.00 C ATOM 1209 CH2 TRP A 77 0.651 2.880 5.786 1.00 15.00 C ATOM 0 H TRP A 77 1.850 5.109 0.748 1.00 15.00 H new ATOM 0 HA TRP A 77 0.061 3.843 -1.190 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.514 2.127 0.622 1.00 15.00 H new ATOM 0 HB3 TRP A 77 0.930 1.848 -0.331 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.277 1.941 0.923 1.00 15.00 H new ATOM 0 HE1 TRP A 77 3.986 1.992 3.404 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -1.264 3.061 2.980 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 2.741 2.445 5.883 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -1.426 3.292 5.424 1.00 15.00 H new ATOM 0 HH2 TRP A 77 0.551 2.986 6.856 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.856 4.750 0.177 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.905 5.487 0.858 1.00 15.00 C ATOM 1222 C GLU A 78 -4.131 4.609 1.047 1.00 15.00 C ATOM 1223 O GLU A 78 -4.345 3.653 0.296 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.266 6.753 0.079 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.222 7.855 0.181 1.00 15.00 C ATOM 1226 CD GLU A 78 -1.971 8.282 1.614 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -0.799 8.300 2.044 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -2.948 8.601 2.320 1.00 15.00 O1- ATOM 0 H GLU A 78 -2.159 4.263 -0.667 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.537 5.783 1.840 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -3.407 6.495 -0.971 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.220 7.134 0.444 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.288 7.509 -0.261 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -2.549 8.717 -0.400 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.925 4.937 2.052 1.00 15.00 N ATOM 1236 CA TYR A 79 -6.131 4.190 2.365 1.00 15.00 C ATOM 1237 C TYR A 79 -7.293 4.640 1.489 1.00 15.00 C ATOM 1238 O TYR A 79 -7.254 5.714 0.877 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.506 4.365 3.839 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.521 3.748 4.807 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -4.565 4.527 5.442 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -5.557 2.391 5.098 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -3.669 3.974 6.338 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -4.664 1.826 5.991 1.00 15.00 C ATOM 1245 CZ TYR A 79 -3.723 2.623 6.611 1.00 15.00 C ATOM 1246 OH TYR A 79 -2.837 2.068 7.512 1.00 15.00 O ATOM 0 H TYR A 79 -4.752 5.727 2.673 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.929 3.137 2.169 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -6.593 5.430 4.056 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.488 3.924 4.007 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -4.520 5.586 5.233 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.295 1.765 4.619 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -2.931 4.596 6.822 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -4.703 0.767 6.202 1.00 15.00 H new ATOM 0 HH TYR A 79 -3.010 1.107 7.591 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.316 3.810 1.412 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.492 4.136 0.633 1.00 15.00 C ATOM 1258 C CYS A 80 -10.693 4.224 1.564 1.00 15.00 C ATOM 1259 O CYS A 80 -10.831 3.429 2.495 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.734 3.093 -0.461 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.774 3.682 -1.819 1.00 15.00 S ATOM 0 H CYS A 80 -8.355 2.905 1.880 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.339 5.096 0.141 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.773 2.774 -0.864 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -10.200 2.214 -0.015 1.00 15.00 H new ATOM 0 HG CYS A 80 -10.021 4.116 -2.786 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.547 5.206 1.326 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.718 5.419 2.166 1.00 15.00 C ATOM 1269 C ASP A 81 -13.972 4.864 1.509 1.00 15.00 C ATOM 1270 O ASP A 81 -14.436 5.382 0.492 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.898 6.910 2.454 1.00 15.00 C ATOM 1272 CG ASP A 81 -13.879 7.172 3.576 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.501 7.002 4.753 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -15.030 7.562 3.285 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.453 5.870 0.557 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.559 4.888 3.105 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.933 7.346 2.711 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -13.243 7.412 1.550 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.504 3.799 2.087 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.709 3.164 1.566 1.00 15.00 C ATOM 1281 C ILE A 82 -16.772 3.077 2.664 1.00 15.00 C ATOM 1282 O ILE A 82 -16.453 2.737 3.806 1.00 15.00 O ATOM 1283 CB ILE A 82 -15.418 1.741 1.030 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.950 1.608 0.601 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -16.339 1.409 -0.139 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -13.531 0.186 0.295 1.00 15.00 C ATOM 0 H ILE A 82 -14.120 3.353 2.920 1.00 15.00 H new ATOM 0 HA ILE A 82 -16.071 3.777 0.741 1.00 15.00 H new ATOM 0 HB ILE A 82 -15.607 1.033 1.836 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -13.782 2.225 -0.282 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -13.312 2.003 1.392 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -16.119 0.405 -0.502 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -17.377 1.456 0.191 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.180 2.128 -0.943 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.482 0.171 -0.001 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -13.666 -0.432 1.183 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -14.143 -0.207 -0.517 1.00 15.00 H new ATOM 1298 N PRO A 83 -18.037 3.415 2.348 1.00 15.00 N ATOM 1299 CA PRO A 83 -19.139 3.365 3.322 1.00 15.00 C ATOM 1300 C PRO A 83 -19.333 1.964 3.901 1.00 15.00 C ATOM 1301 O PRO A 83 -19.541 1.000 3.167 1.00 15.00 O ATOM 1302 CB PRO A 83 -20.372 3.779 2.506 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.975 3.630 1.079 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.497 3.882 1.030 1.00 15.00 C ATOM 0 HA PRO A 83 -18.948 4.010 4.179 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -21.229 3.148 2.743 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.662 4.806 2.727 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -20.213 2.632 0.711 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.512 4.339 0.449 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -18.021 3.332 0.218 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -18.273 4.937 0.875 1.00 15.00 H new ATOM 1312 N ARG A 84 -19.267 1.857 5.220 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.426 0.577 5.895 1.00 15.00 C ATOM 1314 C ARG A 84 -20.794 0.484 6.550 1.00 15.00 C ATOM 1315 O ARG A 84 -21.421 1.504 6.840 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.327 0.381 6.947 1.00 15.00 C ATOM 1317 CG ARG A 84 -18.291 1.457 8.028 1.00 15.00 C ATOM 1318 CD ARG A 84 -17.252 2.527 7.723 1.00 15.00 C ATOM 1319 NE ARG A 84 -17.244 3.587 8.730 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.170 3.929 9.449 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -15.012 3.304 9.269 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -16.258 4.903 10.346 1.00 15.00 N ATOM 0 H ARG A 84 -19.104 2.645 5.847 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.341 -0.212 5.148 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.465 -0.590 7.422 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.360 0.355 6.444 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -19.274 1.919 8.115 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -18.069 0.998 8.991 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -16.264 2.069 7.671 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -17.454 2.960 6.743 1.00 15.00 H new ATOM 0 HE ARG A 84 -18.112 4.097 8.894 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -14.937 2.557 8.578 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -14.197 3.571 9.822 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -17.144 5.389 10.486 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -15.440 5.166 10.896 1.00 15.00 H new ATOM 1336 N CYS A 85 -21.259 -0.739 6.759 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.551 -0.969 7.394 1.00 15.00 C ATOM 1338 C CYS A 85 -22.505 -0.535 8.853 1.00 15.00 C ATOM 1339 O CYS A 85 -21.441 -0.560 9.480 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.928 -2.450 7.310 1.00 15.00 C ATOM 1341 SG CYS A 85 -23.002 -3.102 5.626 1.00 15.00 S ATOM 0 H CYS A 85 -20.761 -1.590 6.498 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.303 -0.380 6.869 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.203 -3.031 7.881 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.898 -2.594 7.786 1.00 15.00 H new ATOM 0 HG CYS A 85 -21.801 -3.163 5.131 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.649 -0.123 9.382 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.736 0.305 10.771 1.00 15.00 C ATOM 1349 C ALA A 86 -23.462 -0.876 11.693 1.00 15.00 C ATOM 1350 O ALA A 86 -22.640 -0.793 12.608 1.00 15.00 O ATOM 1351 CB ALA A 86 -25.104 0.910 11.059 1.00 15.00 C ATOM 0 H ALA A 86 -24.530 -0.076 8.870 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.984 1.073 10.953 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -25.151 1.224 12.102 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -25.264 1.773 10.413 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.878 0.166 10.869 1.00 15.00 H new ATOM 1357 N ALA A 87 -24.137 -1.984 11.428 1.00 15.00 N ATOM 1358 CA ALA A 87 -23.964 -3.193 12.213 1.00 15.00 C ATOM 1359 C ALA A 87 -23.210 -4.230 11.398 1.00 15.00 C ATOM 1360 O ALA A 87 -23.770 -4.733 10.404 1.00 15.00 O ATOM 1361 CB ALA A 87 -25.311 -3.738 12.669 1.00 15.00 C ATOM 1362 OXT ALA A 87 -22.043 -4.519 11.735 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.814 -2.069 10.670 1.00 15.00 H new ATOM 0 HA ALA A 87 -23.383 -2.955 13.104 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -25.157 -4.644 13.255 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -25.817 -2.991 13.281 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -25.924 -3.969 11.798 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 20.698 2.709 -15.237 1.00 15.00 N ATOM 1370 CA GLY B 101 20.623 2.507 -13.769 1.00 15.00 C ATOM 1371 C GLY B 101 19.211 2.640 -13.251 1.00 15.00 C ATOM 1372 O GLY B 101 18.293 2.946 -14.014 1.00 15.00 O ATOM 0 HA2 GLY B 101 21.009 1.519 -13.519 1.00 15.00 H new ATOM 0 HA3 GLY B 101 21.262 3.235 -13.270 1.00 15.00 H new ATOM 1378 N SER B 102 19.030 2.406 -11.964 1.00 15.00 N ATOM 1379 CA SER B 102 17.721 2.503 -11.347 1.00 15.00 C ATOM 1380 C SER B 102 17.835 3.231 -10.010 1.00 15.00 C ATOM 1381 O SER B 102 18.864 3.843 -9.723 1.00 15.00 O ATOM 1382 CB SER B 102 17.139 1.101 -11.147 1.00 15.00 C ATOM 1383 OG SER B 102 15.725 1.140 -11.068 1.00 15.00 O ATOM 0 H SER B 102 19.779 2.146 -11.322 1.00 15.00 H new ATOM 0 HA SER B 102 17.053 3.069 -11.997 1.00 15.00 H new ATOM 0 HB2 SER B 102 17.442 0.457 -11.973 1.00 15.00 H new ATOM 0 HB3 SER B 102 17.545 0.662 -10.235 1.00 15.00 H new ATOM 0 HG SER B 102 15.379 0.232 -10.942 1.00 15.00 H new ATOM 1389 N VAL B 103 16.782 3.183 -9.202 1.00 15.00 N ATOM 1390 CA VAL B 103 16.803 3.828 -7.900 1.00 15.00 C ATOM 1391 C VAL B 103 17.487 2.914 -6.876 1.00 15.00 C ATOM 1392 O VAL B 103 16.864 2.052 -6.253 1.00 15.00 O ATOM 1393 CB VAL B 103 15.377 4.231 -7.436 1.00 15.00 C ATOM 1394 CG1 VAL B 103 14.412 3.053 -7.494 1.00 15.00 C ATOM 1395 CG2 VAL B 103 15.411 4.842 -6.040 1.00 15.00 C ATOM 0 H VAL B 103 15.909 2.706 -9.426 1.00 15.00 H new ATOM 0 HA VAL B 103 17.378 4.750 -7.983 1.00 15.00 H new ATOM 0 HB VAL B 103 15.009 4.987 -8.129 1.00 15.00 H new ATOM 0 HG11 VAL B 103 13.425 3.375 -7.162 1.00 15.00 H new ATOM 0 HG12 VAL B 103 14.348 2.685 -8.518 1.00 15.00 H new ATOM 0 HG13 VAL B 103 14.772 2.256 -6.844 1.00 15.00 H new ATOM 0 HG21 VAL B 103 14.400 5.116 -5.738 1.00 15.00 H new ATOM 0 HG22 VAL B 103 15.816 4.116 -5.335 1.00 15.00 H new ATOM 0 HG23 VAL B 103 16.041 5.732 -6.047 1.00 15.00 H new ATOM 1405 N GLU B 104 18.791 3.088 -6.737 1.00 15.00 N ATOM 1406 CA GLU B 104 19.582 2.284 -5.815 1.00 15.00 C ATOM 1407 C GLU B 104 20.120 3.145 -4.679 1.00 15.00 C ATOM 1408 O GLU B 104 21.109 2.797 -4.037 1.00 15.00 O ATOM 1409 CB GLU B 104 20.745 1.619 -6.556 1.00 15.00 C ATOM 1410 CG GLU B 104 20.346 0.989 -7.880 1.00 15.00 C ATOM 1411 CD GLU B 104 21.147 1.531 -9.051 1.00 15.00 C ATOM 1412 OE1 GLU B 104 20.750 1.298 -10.209 1.00 15.00 O ATOM 1413 OE2 GLU B 104 22.185 2.187 -8.818 1.00 15.00 O1- ATOM 0 H GLU B 104 19.329 3.784 -7.254 1.00 15.00 H new ATOM 0 HA GLU B 104 18.937 1.512 -5.395 1.00 15.00 H new ATOM 0 HB2 GLU B 104 21.521 2.362 -6.737 1.00 15.00 H new ATOM 0 HB3 GLU B 104 21.181 0.852 -5.916 1.00 15.00 H new ATOM 0 HG2 GLU B 104 20.483 -0.091 -7.820 1.00 15.00 H new ATOM 0 HG3 GLU B 104 19.285 1.166 -8.057 1.00 15.00 H new ATOM 1420 N LYS B 105 19.457 4.269 -4.443 1.00 15.00 N ATOM 1421 CA LYS B 105 19.855 5.200 -3.391 1.00 15.00 C ATOM 1422 C LYS B 105 19.745 4.554 -2.007 1.00 15.00 C ATOM 1423 O LYS B 105 20.611 4.739 -1.149 1.00 15.00 O ATOM 1424 CB LYS B 105 18.981 6.454 -3.462 1.00 15.00 C ATOM 1425 CG LYS B 105 19.467 7.595 -2.584 1.00 15.00 C ATOM 1426 CD LYS B 105 18.558 8.809 -2.701 1.00 15.00 C ATOM 1427 CE LYS B 105 19.088 9.985 -1.895 1.00 15.00 C ATOM 1428 NZ LYS B 105 18.191 11.169 -1.982 1.00 15.00 N1+ ATOM 0 H LYS B 105 18.634 4.561 -4.970 1.00 15.00 H new ATOM 0 HA LYS B 105 20.899 5.474 -3.547 1.00 15.00 H new ATOM 0 HB2 LYS B 105 18.938 6.797 -4.496 1.00 15.00 H new ATOM 0 HB3 LYS B 105 17.964 6.193 -3.171 1.00 15.00 H new ATOM 0 HG2 LYS B 105 19.506 7.266 -1.546 1.00 15.00 H new ATOM 0 HG3 LYS B 105 20.482 7.870 -2.870 1.00 15.00 H new ATOM 0 HD2 LYS B 105 18.467 9.097 -3.748 1.00 15.00 H new ATOM 0 HD3 LYS B 105 17.558 8.550 -2.353 1.00 15.00 H new ATOM 0 HE2 LYS B 105 19.198 9.689 -0.852 1.00 15.00 H new ATOM 0 HE3 LYS B 105 20.080 10.255 -2.256 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 18.571 11.936 -1.392 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 18.133 11.488 -2.970 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 17.242 10.911 -1.645 1.00 15.00 H new ATOM 1442 N LEU B 106 18.686 3.781 -1.806 1.00 15.00 N ATOM 1443 CA LEU B 106 18.450 3.106 -0.533 1.00 15.00 C ATOM 1444 C LEU B 106 18.826 1.634 -0.644 1.00 15.00 C ATOM 1445 O LEU B 106 18.057 0.755 -0.260 1.00 15.00 O ATOM 1446 CB LEU B 106 16.978 3.237 -0.112 1.00 15.00 C ATOM 1447 CG LEU B 106 16.535 4.627 0.366 1.00 15.00 C ATOM 1448 CD1 LEU B 106 17.612 5.278 1.226 1.00 15.00 C ATOM 1449 CD2 LEU B 106 16.180 5.520 -0.814 1.00 15.00 C ATOM 0 H LEU B 106 17.972 3.604 -2.512 1.00 15.00 H new ATOM 0 HA LEU B 106 19.072 3.580 0.226 1.00 15.00 H new ATOM 0 HB2 LEU B 106 16.352 2.949 -0.957 1.00 15.00 H new ATOM 0 HB3 LEU B 106 16.784 2.521 0.687 1.00 15.00 H new ATOM 0 HG LEU B 106 15.642 4.500 0.978 1.00 15.00 H new ATOM 0 HD11 LEU B 106 17.273 6.261 1.551 1.00 15.00 H new ATOM 0 HD12 LEU B 106 17.807 4.654 2.098 1.00 15.00 H new ATOM 0 HD13 LEU B 106 18.527 5.384 0.644 1.00 15.00 H new ATOM 0 HD21 LEU B 106 15.869 6.499 -0.449 1.00 15.00 H new ATOM 0 HD22 LEU B 106 17.051 5.633 -1.460 1.00 15.00 H new ATOM 0 HD23 LEU B 106 15.365 5.068 -1.380 1.00 15.00 H new ATOM 1461 N THR B 107 20.021 1.383 -1.163 1.00 15.00 N ATOM 1462 CA THR B 107 20.522 0.030 -1.355 1.00 15.00 C ATOM 1463 C THR B 107 20.563 -0.767 -0.049 1.00 15.00 C ATOM 1464 O THR B 107 20.116 -1.915 -0.001 1.00 15.00 O ATOM 1465 CB THR B 107 21.930 0.070 -1.971 1.00 15.00 C ATOM 1466 OG1 THR B 107 22.345 1.438 -2.136 1.00 15.00 O ATOM 1467 CG2 THR B 107 21.949 -0.639 -3.316 1.00 15.00 C ATOM 0 H THR B 107 20.669 2.112 -1.462 1.00 15.00 H new ATOM 0 HA THR B 107 19.830 -0.473 -2.031 1.00 15.00 H new ATOM 0 HB THR B 107 22.619 -0.444 -1.300 1.00 15.00 H new ATOM 0 HG1 THR B 107 21.926 1.812 -2.939 1.00 15.00 H new ATOM 0 HG21 THR B 107 22.955 -0.599 -3.734 1.00 15.00 H new ATOM 0 HG22 THR B 107 21.653 -1.679 -3.183 1.00 15.00 H new ATOM 0 HG23 THR B 107 21.253 -0.148 -3.996 1.00 15.00 H new ATOM 1475 N ALA B 108 21.079 -0.149 1.008 1.00 15.00 N ATOM 1476 CA ALA B 108 21.186 -0.809 2.306 1.00 15.00 C ATOM 1477 C ALA B 108 19.812 -1.064 2.916 1.00 15.00 C ATOM 1478 O ALA B 108 19.532 -2.159 3.407 1.00 15.00 O ATOM 1479 CB ALA B 108 22.040 0.022 3.254 1.00 15.00 C ATOM 0 H ALA B 108 21.430 0.809 0.992 1.00 15.00 H new ATOM 0 HA ALA B 108 21.667 -1.775 2.151 1.00 15.00 H new ATOM 0 HB1 ALA B 108 22.111 -0.483 4.217 1.00 15.00 H new ATOM 0 HB2 ALA B 108 23.038 0.142 2.833 1.00 15.00 H new ATOM 0 HB3 ALA B 108 21.583 1.002 3.391 1.00 15.00 H new ATOM 1485 N ASP B 109 18.958 -0.048 2.869 1.00 15.00 N ATOM 1486 CA ASP B 109 17.608 -0.140 3.423 1.00 15.00 C ATOM 1487 C ASP B 109 16.797 -1.221 2.713 1.00 15.00 C ATOM 1488 O ASP B 109 16.172 -2.069 3.356 1.00 15.00 O ATOM 1489 CB ASP B 109 16.896 1.208 3.298 1.00 15.00 C ATOM 1490 CG ASP B 109 16.167 1.610 4.567 1.00 15.00 C ATOM 1491 OD1 ASP B 109 16.436 2.715 5.082 1.00 15.00 O ATOM 1492 OD2 ASP B 109 15.320 0.832 5.054 1.00 15.00 O1- ATOM 0 H ASP B 109 19.177 0.856 2.450 1.00 15.00 H new ATOM 0 HA ASP B 109 17.692 -0.409 4.476 1.00 15.00 H new ATOM 0 HB2 ASP B 109 17.626 1.977 3.045 1.00 15.00 H new ATOM 0 HB3 ASP B 109 16.183 1.162 2.475 1.00 15.00 H new ATOM 1497 N ALA B 110 16.826 -1.191 1.384 1.00 15.00 N ATOM 1498 CA ALA B 110 16.096 -2.157 0.573 1.00 15.00 C ATOM 1499 C ALA B 110 16.584 -3.576 0.835 1.00 15.00 C ATOM 1500 O ALA B 110 15.781 -4.501 0.952 1.00 15.00 O ATOM 1501 CB ALA B 110 16.228 -1.814 -0.906 1.00 15.00 C ATOM 0 H ALA B 110 17.351 -0.503 0.844 1.00 15.00 H new ATOM 0 HA ALA B 110 15.044 -2.106 0.853 1.00 15.00 H new ATOM 0 HB1 ALA B 110 15.678 -2.544 -1.499 1.00 15.00 H new ATOM 0 HB2 ALA B 110 15.821 -0.819 -1.086 1.00 15.00 H new ATOM 0 HB3 ALA B 110 17.280 -1.833 -1.191 1.00 15.00 H new ATOM 1507 N GLU B 111 17.898 -3.741 0.936 1.00 15.00 N ATOM 1508 CA GLU B 111 18.493 -5.049 1.184 1.00 15.00 C ATOM 1509 C GLU B 111 18.022 -5.619 2.518 1.00 15.00 C ATOM 1510 O GLU B 111 17.637 -6.786 2.602 1.00 15.00 O ATOM 1511 CB GLU B 111 20.017 -4.950 1.167 1.00 15.00 C ATOM 1512 CG GLU B 111 20.723 -6.263 1.460 1.00 15.00 C ATOM 1513 CD GLU B 111 22.227 -6.128 1.407 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.877 -6.966 0.749 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.766 -5.174 2.007 1.00 15.00 O1- ATOM 0 H GLU B 111 18.574 -2.982 0.850 1.00 15.00 H new ATOM 0 HA GLU B 111 18.171 -5.723 0.390 1.00 15.00 H new ATOM 0 HB2 GLU B 111 20.337 -4.587 0.190 1.00 15.00 H new ATOM 0 HB3 GLU B 111 20.331 -4.208 1.901 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.427 -6.620 2.446 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.402 -7.015 0.739 1.00 15.00 H new ATOM 1522 N LEU B 112 18.038 -4.784 3.550 1.00 15.00 N ATOM 1523 CA LEU B 112 17.610 -5.204 4.879 1.00 15.00 C ATOM 1524 C LEU B 112 16.159 -5.661 4.855 1.00 15.00 C ATOM 1525 O LEU B 112 15.824 -6.732 5.369 1.00 15.00 O ATOM 1526 CB LEU B 112 17.780 -4.064 5.883 1.00 15.00 C ATOM 1527 CG LEU B 112 19.216 -3.823 6.350 1.00 15.00 C ATOM 1528 CD1 LEU B 112 19.296 -2.572 7.210 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.739 -5.027 7.118 1.00 15.00 C ATOM 0 H LEU B 112 18.343 -3.812 3.492 1.00 15.00 H new ATOM 0 HA LEU B 112 18.236 -6.041 5.188 1.00 15.00 H new ATOM 0 HB2 LEU B 112 17.401 -3.146 5.435 1.00 15.00 H new ATOM 0 HB3 LEU B 112 17.160 -4.273 6.755 1.00 15.00 H new ATOM 0 HG LEU B 112 19.841 -3.678 5.469 1.00 15.00 H new ATOM 0 HD11 LEU B 112 20.326 -2.417 7.533 1.00 15.00 H new ATOM 0 HD12 LEU B 112 18.964 -1.710 6.631 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.656 -2.690 8.084 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.762 -4.836 7.442 1.00 15.00 H new ATOM 0 HD22 LEU B 112 19.110 -5.204 7.990 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.721 -5.906 6.473 1.00 15.00 H new ATOM 1541 N GLN B 113 15.306 -4.853 4.238 1.00 15.00 N ATOM 1542 CA GLN B 113 13.890 -5.165 4.142 1.00 15.00 C ATOM 1543 C GLN B 113 13.663 -6.410 3.287 1.00 15.00 C ATOM 1544 O GLN B 113 12.803 -7.236 3.600 1.00 15.00 O ATOM 1545 CB GLN B 113 13.123 -3.980 3.556 1.00 15.00 C ATOM 1546 CG GLN B 113 11.613 -4.158 3.589 1.00 15.00 C ATOM 1547 CD GLN B 113 11.076 -4.355 4.995 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.766 -3.390 5.689 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.961 -5.605 5.423 1.00 15.00 N ATOM 0 H GLN B 113 15.574 -3.974 3.796 1.00 15.00 H new ATOM 0 HA GLN B 113 13.519 -5.365 5.147 1.00 15.00 H new ATOM 0 HB2 GLN B 113 13.387 -3.078 4.108 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.440 -3.826 2.525 1.00 15.00 H new ATOM 0 HG2 GLN B 113 11.139 -3.284 3.143 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.339 -5.017 2.976 1.00 15.00 H new ATOM 0 HE21 GLN B 113 11.230 -6.379 4.815 1.00 15.00 H new ATOM 0 HE22 GLN B 113 10.604 -5.792 6.360 1.00 15.00 H new ATOM 1558 N ARG B 114 14.439 -6.542 2.214 1.00 15.00 N ATOM 1559 CA ARG B 114 14.323 -7.682 1.314 1.00 15.00 C ATOM 1560 C ARG B 114 14.709 -8.973 2.019 1.00 15.00 C ATOM 1561 O ARG B 114 13.989 -9.970 1.941 1.00 15.00 O ATOM 1562 CB ARG B 114 15.198 -7.478 0.080 1.00 15.00 C ATOM 1563 CG ARG B 114 15.096 -8.608 -0.928 1.00 15.00 C ATOM 1564 CD ARG B 114 15.480 -8.142 -2.318 1.00 15.00 C ATOM 1565 NE ARG B 114 14.597 -7.083 -2.800 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.672 -6.541 -4.012 1.00 15.00 C ATOM 1567 NH1 ARG B 114 15.598 -6.953 -4.873 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 13.818 -5.589 -4.365 1.00 15.00 N ATOM 0 H ARG B 114 15.158 -5.869 1.947 1.00 15.00 H new ATOM 0 HA ARG B 114 13.282 -7.759 1.001 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.917 -6.543 -0.405 1.00 15.00 H new ATOM 0 HB3 ARG B 114 16.237 -7.374 0.394 1.00 15.00 H new ATOM 0 HG2 ARG B 114 15.746 -9.429 -0.625 1.00 15.00 H new ATOM 0 HG3 ARG B 114 14.078 -8.996 -0.941 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.508 -7.781 -2.309 1.00 15.00 H new ATOM 0 HD3 ARG B 114 15.444 -8.986 -3.007 1.00 15.00 H new ATOM 0 HE ARG B 114 13.877 -6.737 -2.166 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.254 -7.687 -4.605 1.00 15.00 H new ATOM 0 HH12 ARG B 114 15.653 -6.535 -5.802 1.00 15.00 H new ATOM 0 HH21 ARG B 114 13.105 -5.274 -3.707 1.00 15.00 H new ATOM 0 HH22 ARG B 114 13.874 -5.172 -5.294 1.00 15.00 H new ATOM 1582 N LEU B 115 15.845 -8.945 2.709 1.00 15.00 N ATOM 1583 CA LEU B 115 16.331 -10.109 3.444 1.00 15.00 C ATOM 1584 C LEU B 115 15.291 -10.558 4.467 1.00 15.00 C ATOM 1585 O LEU B 115 15.062 -11.752 4.659 1.00 15.00 O ATOM 1586 CB LEU B 115 17.652 -9.780 4.143 1.00 15.00 C ATOM 1587 CG LEU B 115 18.287 -10.934 4.920 1.00 15.00 C ATOM 1588 CD1 LEU B 115 18.787 -12.013 3.972 1.00 15.00 C ATOM 1589 CD2 LEU B 115 19.418 -10.422 5.794 1.00 15.00 C ATOM 0 H LEU B 115 16.449 -8.126 2.775 1.00 15.00 H new ATOM 0 HA LEU B 115 16.502 -10.922 2.738 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.364 -9.434 3.394 1.00 15.00 H new ATOM 0 HB3 LEU B 115 17.483 -8.951 4.830 1.00 15.00 H new ATOM 0 HG LEU B 115 17.526 -11.376 5.563 1.00 15.00 H new ATOM 0 HD11 LEU B 115 19.235 -12.824 4.547 1.00 15.00 H new ATOM 0 HD12 LEU B 115 17.952 -12.400 3.389 1.00 15.00 H new ATOM 0 HD13 LEU B 115 19.533 -11.590 3.300 1.00 15.00 H new ATOM 0 HD21 LEU B 115 19.860 -11.254 6.341 1.00 15.00 H new ATOM 0 HD22 LEU B 115 20.178 -9.954 5.168 1.00 15.00 H new ATOM 0 HD23 LEU B 115 19.029 -9.689 6.501 1.00 15.00 H new ATOM 1601 N LYS B 116 14.654 -9.587 5.107 1.00 15.00 N ATOM 1602 CA LYS B 116 13.628 -9.868 6.096 1.00 15.00 C ATOM 1603 C LYS B 116 12.394 -10.457 5.421 1.00 15.00 C ATOM 1604 O LYS B 116 11.819 -11.432 5.897 1.00 15.00 O ATOM 1605 CB LYS B 116 13.257 -8.591 6.845 1.00 15.00 C ATOM 1606 CG LYS B 116 12.953 -8.816 8.313 1.00 15.00 C ATOM 1607 CD LYS B 116 12.542 -7.527 8.995 1.00 15.00 C ATOM 1608 CE LYS B 116 12.554 -7.678 10.504 1.00 15.00 C ATOM 1609 NZ LYS B 116 11.910 -6.528 11.181 1.00 15.00 N1+ ATOM 0 H LYS B 116 14.832 -8.594 4.956 1.00 15.00 H new ATOM 0 HA LYS B 116 14.018 -10.594 6.809 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.076 -7.877 6.757 1.00 15.00 H new ATOM 0 HB3 LYS B 116 12.388 -8.139 6.367 1.00 15.00 H new ATOM 0 HG2 LYS B 116 12.156 -9.553 8.413 1.00 15.00 H new ATOM 0 HG3 LYS B 116 13.832 -9.228 8.809 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.219 -6.725 8.702 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.544 -7.239 8.663 1.00 15.00 H new ATOM 0 HE2 LYS B 116 12.038 -8.597 10.781 1.00 15.00 H new ATOM 0 HE3 LYS B 116 13.583 -7.773 10.851 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 11.863 -6.709 12.204 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 12.466 -5.667 11.007 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 10.948 -6.400 10.808 1.00 15.00 H new ATOM 1623 N ASN B 117 12.008 -9.861 4.297 1.00 15.00 N ATOM 1624 CA ASN B 117 10.848 -10.317 3.539 1.00 15.00 C ATOM 1625 C ASN B 117 11.055 -11.742 3.041 1.00 15.00 C ATOM 1626 O ASN B 117 10.158 -12.571 3.135 1.00 15.00 O ATOM 1627 CB ASN B 117 10.578 -9.371 2.357 1.00 15.00 C ATOM 1628 CG ASN B 117 9.809 -10.029 1.222 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.579 -10.111 1.244 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.534 -10.482 0.207 1.00 15.00 N ATOM 0 H ASN B 117 12.485 -9.057 3.889 1.00 15.00 H new ATOM 0 HA ASN B 117 9.981 -10.308 4.200 1.00 15.00 H new ATOM 0 HB2 ASN B 117 10.017 -8.507 2.713 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.528 -8.999 1.975 1.00 15.00 H new ATOM 0 HD21 ASN B 117 10.075 -10.917 -0.593 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.550 -10.395 0.227 1.00 15.00 H new ATOM 1637 N GLU B 118 12.246 -12.021 2.533 1.00 15.00 N ATOM 1638 CA GLU B 118 12.571 -13.344 2.012 1.00 15.00 C ATOM 1639 C GLU B 118 12.518 -14.399 3.113 1.00 15.00 C ATOM 1640 O GLU B 118 11.985 -15.494 2.918 1.00 15.00 O ATOM 1641 CB GLU B 118 13.955 -13.325 1.366 1.00 15.00 C ATOM 1642 CG GLU B 118 14.342 -14.640 0.712 1.00 15.00 C ATOM 1643 CD GLU B 118 15.594 -14.524 -0.126 1.00 15.00 C ATOM 1644 OE1 GLU B 118 16.689 -14.834 0.388 1.00 15.00 O ATOM 1645 OE2 GLU B 118 15.493 -14.116 -1.303 1.00 15.00 O1- ATOM 0 H GLU B 118 13.008 -11.346 2.470 1.00 15.00 H new ATOM 0 HA GLU B 118 11.827 -13.606 1.260 1.00 15.00 H new ATOM 0 HB2 GLU B 118 13.986 -12.534 0.617 1.00 15.00 H new ATOM 0 HB3 GLU B 118 14.697 -13.074 2.124 1.00 15.00 H new ATOM 0 HG2 GLU B 118 14.494 -15.395 1.484 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.520 -14.986 0.085 1.00 15.00 H new ATOM 1652 N ALA B 119 13.061 -14.065 4.276 1.00 15.00 N ATOM 1653 CA ALA B 119 13.079 -14.988 5.400 1.00 15.00 C ATOM 1654 C ALA B 119 11.673 -15.226 5.940 1.00 15.00 C ATOM 1655 O ALA B 119 11.283 -16.364 6.207 1.00 15.00 O ATOM 1656 CB ALA B 119 13.987 -14.462 6.503 1.00 15.00 C ATOM 0 H ALA B 119 13.495 -13.161 4.465 1.00 15.00 H new ATOM 0 HA ALA B 119 13.470 -15.942 5.046 1.00 15.00 H new ATOM 0 HB1 ALA B 119 13.990 -15.164 7.337 1.00 15.00 H new ATOM 0 HB2 ALA B 119 15.001 -14.352 6.118 1.00 15.00 H new ATOM 0 HB3 ALA B 119 13.621 -13.494 6.845 1.00 15.00 H new ATOM 1662 N ALA B 120 10.910 -14.152 6.078 1.00 15.00 N ATOM 1663 CA ALA B 120 9.553 -14.233 6.604 1.00 15.00 C ATOM 1664 C ALA B 120 8.566 -14.774 5.573 1.00 15.00 C ATOM 1665 O ALA B 120 7.500 -15.263 5.934 1.00 15.00 O ATOM 1666 CB ALA B 120 9.104 -12.866 7.096 1.00 15.00 C ATOM 0 H ALA B 120 11.209 -13.208 5.832 1.00 15.00 H new ATOM 0 HA ALA B 120 9.566 -14.935 7.438 1.00 15.00 H new ATOM 0 HB1 ALA B 120 8.089 -12.935 7.487 1.00 15.00 H new ATOM 0 HB2 ALA B 120 9.775 -12.525 7.885 1.00 15.00 H new ATOM 0 HB3 ALA B 120 9.126 -12.156 6.269 1.00 15.00 H new ATOM 1672 N GLU B 121 8.934 -14.708 4.298 1.00 15.00 N ATOM 1673 CA GLU B 121 8.069 -15.175 3.211 1.00 15.00 C ATOM 1674 C GLU B 121 7.678 -16.644 3.373 1.00 15.00 C ATOM 1675 O GLU B 121 6.686 -17.094 2.797 1.00 15.00 O ATOM 1676 CB GLU B 121 8.756 -14.966 1.861 1.00 15.00 C ATOM 1677 CG GLU B 121 7.785 -14.882 0.700 1.00 15.00 C ATOM 1678 CD GLU B 121 8.476 -14.665 -0.626 1.00 15.00 C ATOM 1679 OE1 GLU B 121 8.816 -13.504 -0.941 1.00 15.00 O ATOM 1680 OE2 GLU B 121 8.657 -15.648 -1.369 1.00 15.00 O1- ATOM 0 H GLU B 121 9.830 -14.334 3.987 1.00 15.00 H new ATOM 0 HA GLU B 121 7.154 -14.585 3.252 1.00 15.00 H new ATOM 0 HB2 GLU B 121 9.346 -14.050 1.899 1.00 15.00 H new ATOM 0 HB3 GLU B 121 9.452 -15.786 1.685 1.00 15.00 H new ATOM 0 HG2 GLU B 121 7.200 -15.801 0.654 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.084 -14.067 0.877 1.00 15.00 H new ATOM 1687 N GLU B 122 8.464 -17.376 4.151 1.00 15.00 N ATOM 1688 CA GLU B 122 8.216 -18.790 4.405 1.00 15.00 C ATOM 1689 C GLU B 122 6.832 -19.013 5.030 1.00 15.00 C ATOM 1690 O GLU B 122 5.939 -19.589 4.404 1.00 15.00 O ATOM 1691 CB GLU B 122 9.309 -19.340 5.323 1.00 15.00 C ATOM 1692 CG GLU B 122 9.054 -20.753 5.813 1.00 15.00 C ATOM 1693 CD GLU B 122 9.838 -21.074 7.066 1.00 15.00 C ATOM 1694 OE1 GLU B 122 9.635 -20.391 8.087 1.00 15.00 O ATOM 1695 OE2 GLU B 122 10.669 -22.004 7.033 1.00 15.00 O1- ATOM 0 H GLU B 122 9.290 -17.008 4.623 1.00 15.00 H new ATOM 0 HA GLU B 122 8.235 -19.321 3.453 1.00 15.00 H new ATOM 0 HB2 GLU B 122 10.260 -19.318 4.791 1.00 15.00 H new ATOM 0 HB3 GLU B 122 9.410 -18.681 6.185 1.00 15.00 H new ATOM 0 HG2 GLU B 122 7.990 -20.881 6.010 1.00 15.00 H new ATOM 0 HG3 GLU B 122 9.320 -21.461 5.028 1.00 15.00 H new ATOM 1702 N ALA B 123 6.656 -18.549 6.260 1.00 15.00 N ATOM 1703 CA ALA B 123 5.386 -18.712 6.964 1.00 15.00 C ATOM 1704 C ALA B 123 4.980 -17.430 7.683 1.00 15.00 C ATOM 1705 O ALA B 123 3.796 -17.166 7.887 1.00 15.00 O ATOM 1706 CB ALA B 123 5.477 -19.869 7.949 1.00 15.00 C ATOM 0 H ALA B 123 7.374 -18.057 6.792 1.00 15.00 H new ATOM 0 HA ALA B 123 4.617 -18.935 6.225 1.00 15.00 H new ATOM 0 HB1 ALA B 123 4.525 -19.981 8.468 1.00 15.00 H new ATOM 0 HB2 ALA B 123 5.707 -20.788 7.410 1.00 15.00 H new ATOM 0 HB3 ALA B 123 6.264 -19.667 8.675 1.00 15.00 H new ATOM 1712 N GLU B 124 5.969 -16.625 8.044 1.00 15.00 N ATOM 1713 CA GLU B 124 5.730 -15.369 8.750 1.00 15.00 C ATOM 1714 C GLU B 124 5.336 -14.253 7.786 1.00 15.00 C ATOM 1715 O GLU B 124 5.493 -13.070 8.094 1.00 15.00 O ATOM 1716 CB GLU B 124 6.983 -14.965 9.524 1.00 15.00 C ATOM 1717 CG GLU B 124 7.151 -15.709 10.837 1.00 15.00 C ATOM 1718 CD GLU B 124 6.342 -15.095 11.957 1.00 15.00 C ATOM 1719 OE1 GLU B 124 5.146 -14.807 11.750 1.00 15.00 O ATOM 1720 OE2 GLU B 124 6.902 -14.903 13.058 1.00 15.00 O1- ATOM 0 H GLU B 124 6.953 -16.819 7.859 1.00 15.00 H new ATOM 0 HA GLU B 124 4.903 -15.524 9.443 1.00 15.00 H new ATOM 0 HB2 GLU B 124 7.859 -15.143 8.900 1.00 15.00 H new ATOM 0 HB3 GLU B 124 6.947 -13.894 9.724 1.00 15.00 H new ATOM 0 HG2 GLU B 124 6.850 -16.748 10.703 1.00 15.00 H new ATOM 0 HG3 GLU B 124 8.205 -15.715 11.115 1.00 15.00 H new ATOM 1727 N LEU B 125 4.818 -14.632 6.622 1.00 15.00 N ATOM 1728 CA LEU B 125 4.410 -13.666 5.615 1.00 15.00 C ATOM 1729 C LEU B 125 3.254 -12.817 6.130 1.00 15.00 C ATOM 1730 O LEU B 125 3.128 -11.639 5.785 1.00 15.00 O ATOM 1731 CB LEU B 125 4.021 -14.384 4.318 1.00 15.00 C ATOM 1732 CG LEU B 125 3.723 -13.473 3.122 1.00 15.00 C ATOM 1733 CD1 LEU B 125 4.874 -12.507 2.871 1.00 15.00 C ATOM 1734 CD2 LEU B 125 3.453 -14.305 1.878 1.00 15.00 C ATOM 0 H LEU B 125 4.672 -15.605 6.355 1.00 15.00 H new ATOM 0 HA LEU B 125 5.250 -13.005 5.403 1.00 15.00 H new ATOM 0 HB2 LEU B 125 4.828 -15.063 4.043 1.00 15.00 H new ATOM 0 HB3 LEU B 125 3.141 -14.998 4.513 1.00 15.00 H new ATOM 0 HG LEU B 125 2.833 -12.888 3.355 1.00 15.00 H new ATOM 0 HD11 LEU B 125 4.637 -11.872 2.017 1.00 15.00 H new ATOM 0 HD12 LEU B 125 5.027 -11.886 3.754 1.00 15.00 H new ATOM 0 HD13 LEU B 125 5.783 -13.071 2.662 1.00 15.00 H new ATOM 0 HD21 LEU B 125 3.243 -13.644 1.037 1.00 15.00 H new ATOM 0 HD22 LEU B 125 4.328 -14.915 1.651 1.00 15.00 H new ATOM 0 HD23 LEU B 125 2.595 -14.953 2.053 1.00 15.00 H new ATOM 1746 N GLU B 126 2.422 -13.419 6.969 1.00 15.00 N ATOM 1747 CA GLU B 126 1.292 -12.716 7.553 1.00 15.00 C ATOM 1748 C GLU B 126 1.796 -11.620 8.479 1.00 15.00 C ATOM 1749 O GLU B 126 1.283 -10.504 8.483 1.00 15.00 O ATOM 1750 CB GLU B 126 0.390 -13.688 8.318 1.00 15.00 C ATOM 1751 CG GLU B 126 -0.332 -14.682 7.424 1.00 15.00 C ATOM 1752 CD GLU B 126 -1.089 -14.011 6.298 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.981 -13.181 6.578 1.00 15.00 O ATOM 1754 OE2 GLU B 126 -0.792 -14.300 5.125 1.00 15.00 O1- ATOM 0 H GLU B 126 2.510 -14.393 7.259 1.00 15.00 H new ATOM 0 HA GLU B 126 0.704 -12.266 6.753 1.00 15.00 H new ATOM 0 HB2 GLU B 126 0.993 -14.235 9.043 1.00 15.00 H new ATOM 0 HB3 GLU B 126 -0.348 -13.118 8.883 1.00 15.00 H new ATOM 0 HG2 GLU B 126 0.392 -15.380 7.004 1.00 15.00 H new ATOM 0 HG3 GLU B 126 -1.027 -15.268 8.026 1.00 15.00 H new ATOM 1761 N ARG B 127 2.829 -11.946 9.246 1.00 15.00 N ATOM 1762 CA ARG B 127 3.424 -10.994 10.172 1.00 15.00 C ATOM 1763 C ARG B 127 4.204 -9.930 9.406 1.00 15.00 C ATOM 1764 O ARG B 127 4.139 -8.747 9.727 1.00 15.00 O ATOM 1765 CB ARG B 127 4.354 -11.714 11.143 1.00 15.00 C ATOM 1766 CG ARG B 127 4.621 -10.939 12.419 1.00 15.00 C ATOM 1767 CD ARG B 127 5.913 -11.384 13.084 1.00 15.00 C ATOM 1768 NE ARG B 127 7.084 -11.049 12.274 1.00 15.00 N ATOM 1769 CZ ARG B 127 7.641 -9.841 12.239 1.00 15.00 C ATOM 1770 NH1 ARG B 127 7.145 -8.854 12.974 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 8.689 -9.617 11.457 1.00 15.00 N ATOM 0 H ARG B 127 3.272 -12.865 9.244 1.00 15.00 H new ATOM 0 HA ARG B 127 2.625 -10.513 10.735 1.00 15.00 H new ATOM 0 HB2 ARG B 127 3.920 -12.680 11.399 1.00 15.00 H new ATOM 0 HB3 ARG B 127 5.302 -11.913 10.644 1.00 15.00 H new ATOM 0 HG2 ARG B 127 4.675 -9.874 12.194 1.00 15.00 H new ATOM 0 HG3 ARG B 127 3.789 -11.077 13.110 1.00 15.00 H new ATOM 0 HD2 ARG B 127 6.000 -10.911 14.062 1.00 15.00 H new ATOM 0 HD3 ARG B 127 5.883 -12.461 13.252 1.00 15.00 H new ATOM 0 HE ARG B 127 7.498 -11.785 11.702 1.00 15.00 H new ATOM 0 HH11 ARG B 127 6.333 -9.020 13.569 1.00 15.00 H new ATOM 0 HH12 ARG B 127 7.575 -7.930 12.944 1.00 15.00 H new ATOM 0 HH21 ARG B 127 9.067 -10.371 10.883 1.00 15.00 H new ATOM 0 HH22 ARG B 127 9.116 -8.691 11.430 1.00 15.00 H new ATOM 1785 N LEU B 128 4.925 -10.373 8.381 1.00 15.00 N ATOM 1786 CA LEU B 128 5.730 -9.489 7.541 1.00 15.00 C ATOM 1787 C LEU B 128 4.870 -8.396 6.911 1.00 15.00 C ATOM 1788 O LEU B 128 5.206 -7.211 6.977 1.00 15.00 O ATOM 1789 CB LEU B 128 6.422 -10.323 6.446 1.00 15.00 C ATOM 1790 CG LEU B 128 7.422 -9.590 5.528 1.00 15.00 C ATOM 1791 CD1 LEU B 128 6.725 -9.007 4.298 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.175 -8.503 6.287 1.00 15.00 C ATOM 0 H LEU B 128 4.969 -11.355 8.108 1.00 15.00 H new ATOM 0 HA LEU B 128 6.482 -9.002 8.162 1.00 15.00 H new ATOM 0 HB2 LEU B 128 6.948 -11.146 6.930 1.00 15.00 H new ATOM 0 HB3 LEU B 128 5.648 -10.765 5.818 1.00 15.00 H new ATOM 0 HG LEU B 128 8.148 -10.327 5.185 1.00 15.00 H new ATOM 0 HD11 LEU B 128 7.458 -8.497 3.672 1.00 15.00 H new ATOM 0 HD12 LEU B 128 6.258 -9.811 3.729 1.00 15.00 H new ATOM 0 HD13 LEU B 128 5.962 -8.296 4.615 1.00 15.00 H new ATOM 0 HD21 LEU B 128 8.872 -8.005 5.613 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.465 -7.774 6.679 1.00 15.00 H new ATOM 0 HD23 LEU B 128 8.727 -8.952 7.113 1.00 15.00 H new ATOM 1804 N LYS B 129 3.753 -8.803 6.322 1.00 15.00 N ATOM 1805 CA LYS B 129 2.849 -7.876 5.662 1.00 15.00 C ATOM 1806 C LYS B 129 2.290 -6.851 6.655 1.00 15.00 C ATOM 1807 O LYS B 129 2.051 -5.699 6.290 1.00 15.00 O ATOM 1808 CB LYS B 129 1.740 -8.664 4.938 1.00 15.00 C ATOM 1809 CG LYS B 129 0.338 -8.464 5.491 1.00 15.00 C ATOM 1810 CD LYS B 129 -0.373 -9.791 5.722 1.00 15.00 C ATOM 1811 CE LYS B 129 -0.398 -10.649 4.465 1.00 15.00 C ATOM 1812 NZ LYS B 129 -1.548 -11.590 4.460 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.452 -9.777 6.289 1.00 15.00 H new ATOM 0 HA LYS B 129 3.397 -7.306 4.912 1.00 15.00 H new ATOM 0 HB2 LYS B 129 1.742 -8.380 3.886 1.00 15.00 H new ATOM 0 HB3 LYS B 129 1.983 -9.726 4.982 1.00 15.00 H new ATOM 0 HG2 LYS B 129 0.393 -7.913 6.430 1.00 15.00 H new ATOM 0 HG3 LYS B 129 -0.243 -7.856 4.798 1.00 15.00 H new ATOM 0 HD2 LYS B 129 0.127 -10.336 6.523 1.00 15.00 H new ATOM 0 HD3 LYS B 129 -1.394 -9.603 6.053 1.00 15.00 H new ATOM 0 HE2 LYS B 129 -0.452 -10.005 3.587 1.00 15.00 H new ATOM 0 HE3 LYS B 129 0.532 -11.212 4.391 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -1.305 -12.433 3.901 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -1.769 -11.874 5.436 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -2.377 -11.123 4.040 1.00 15.00 H new ATOM 1826 N SER B 130 2.112 -7.264 7.908 1.00 15.00 N ATOM 1827 CA SER B 130 1.600 -6.369 8.940 1.00 15.00 C ATOM 1828 C SER B 130 2.710 -5.460 9.473 1.00 15.00 C ATOM 1829 O SER B 130 2.495 -4.269 9.704 1.00 15.00 O ATOM 1830 CB SER B 130 0.988 -7.172 10.089 1.00 15.00 C ATOM 1831 OG SER B 130 -0.020 -8.048 9.618 1.00 15.00 O ATOM 0 H SER B 130 2.314 -8.210 8.231 1.00 15.00 H new ATOM 0 HA SER B 130 0.826 -5.746 8.491 1.00 15.00 H new ATOM 0 HB2 SER B 130 1.767 -7.746 10.591 1.00 15.00 H new ATOM 0 HB3 SER B 130 0.566 -6.491 10.828 1.00 15.00 H new ATOM 0 HG SER B 130 -0.716 -7.531 9.162 1.00 15.00 H new ATOM 1837 N GLU B 131 3.897 -6.030 9.664 1.00 15.00 N ATOM 1838 CA GLU B 131 5.042 -5.280 10.168 1.00 15.00 C ATOM 1839 C GLU B 131 5.407 -4.152 9.206 1.00 15.00 C ATOM 1840 O GLU B 131 5.559 -3.001 9.613 1.00 15.00 O ATOM 1841 CB GLU B 131 6.240 -6.209 10.371 1.00 15.00 C ATOM 1842 CG GLU B 131 7.508 -5.487 10.792 1.00 15.00 C ATOM 1843 CD GLU B 131 8.491 -6.405 11.479 1.00 15.00 C ATOM 1844 OE1 GLU B 131 8.410 -6.548 12.716 1.00 15.00 O ATOM 1845 OE2 GLU B 131 9.340 -7.004 10.792 1.00 15.00 O1- ATOM 0 H GLU B 131 4.090 -7.014 9.476 1.00 15.00 H new ATOM 0 HA GLU B 131 4.771 -4.843 11.129 1.00 15.00 H new ATOM 0 HB2 GLU B 131 5.988 -6.953 11.127 1.00 15.00 H new ATOM 0 HB3 GLU B 131 6.431 -6.749 9.444 1.00 15.00 H new ATOM 0 HG2 GLU B 131 7.980 -5.045 9.914 1.00 15.00 H new ATOM 0 HG3 GLU B 131 7.251 -4.667 11.463 1.00 15.00 H new ATOM 1852 N ARG B 132 5.524 -4.488 7.927 1.00 15.00 N ATOM 1853 CA ARG B 132 5.868 -3.504 6.907 1.00 15.00 C ATOM 1854 C ARG B 132 4.855 -2.362 6.904 1.00 15.00 C ATOM 1855 O ARG B 132 5.214 -1.203 6.710 1.00 15.00 O ATOM 1856 CB ARG B 132 5.923 -4.173 5.528 1.00 15.00 C ATOM 1857 CG ARG B 132 6.536 -3.305 4.438 1.00 15.00 C ATOM 1858 CD ARG B 132 5.482 -2.464 3.732 1.00 15.00 C ATOM 1859 NE ARG B 132 6.036 -1.711 2.609 1.00 15.00 N ATOM 1860 CZ ARG B 132 5.324 -0.869 1.864 1.00 15.00 C ATOM 1861 NH1 ARG B 132 4.037 -0.676 2.123 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 5.897 -0.221 0.855 1.00 15.00 N ATOM 0 H ARG B 132 5.386 -5.434 7.571 1.00 15.00 H new ATOM 0 HA ARG B 132 6.850 -3.091 7.136 1.00 15.00 H new ATOM 0 HB2 ARG B 132 6.497 -5.096 5.607 1.00 15.00 H new ATOM 0 HB3 ARG B 132 4.912 -4.450 5.230 1.00 15.00 H new ATOM 0 HG2 ARG B 132 7.291 -2.651 4.874 1.00 15.00 H new ATOM 0 HG3 ARG B 132 7.044 -3.938 3.711 1.00 15.00 H new ATOM 0 HD2 ARG B 132 4.683 -3.113 3.373 1.00 15.00 H new ATOM 0 HD3 ARG B 132 5.034 -1.772 4.445 1.00 15.00 H new ATOM 0 HE ARG B 132 7.023 -1.838 2.384 1.00 15.00 H new ATOM 0 HH11 ARG B 132 3.592 -1.173 2.894 1.00 15.00 H new ATOM 0 HH12 ARG B 132 3.493 -0.030 1.551 1.00 15.00 H new ATOM 0 HH21 ARG B 132 6.885 -0.368 0.650 1.00 15.00 H new ATOM 0 HH22 ARG B 132 5.349 0.424 0.286 1.00 15.00 H new ATOM 1876 N HIS B 133 3.596 -2.702 7.149 1.00 15.00 N ATOM 1877 CA HIS B 133 2.517 -1.724 7.176 1.00 15.00 C ATOM 1878 C HIS B 133 2.746 -0.678 8.268 1.00 15.00 C ATOM 1879 O HIS B 133 2.538 0.515 8.054 1.00 15.00 O ATOM 1880 CB HIS B 133 1.182 -2.441 7.401 1.00 15.00 C ATOM 1881 CG HIS B 133 0.006 -1.769 6.766 1.00 15.00 C ATOM 1882 ND1 HIS B 133 0.149 -0.651 5.979 1.00 15.00 N ATOM 1883 CD2 HIS B 133 -1.303 -2.106 6.821 1.00 15.00 C ATOM 1884 CE1 HIS B 133 -1.073 -0.332 5.580 1.00 15.00 C ATOM 1885 NE2 HIS B 133 -1.980 -1.183 6.071 1.00 15.00 N ATOM 0 H HIS B 133 3.295 -3.659 7.334 1.00 15.00 H new ATOM 0 HA HIS B 133 2.495 -1.206 6.217 1.00 15.00 H new ATOM 0 HB2 HIS B 133 1.259 -3.456 7.012 1.00 15.00 H new ATOM 0 HB3 HIS B 133 1.003 -2.523 8.473 1.00 15.00 H new ATOM 0 HD2 HIS B 133 -1.731 -2.942 7.354 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -1.307 0.507 4.941 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -2.988 -1.150 5.916 1.00 15.00 H new ATOM 1893 N ASP B 134 3.202 -1.127 9.432 1.00 15.00 N ATOM 1894 CA ASP B 134 3.437 -0.218 10.554 1.00 15.00 C ATOM 1895 C ASP B 134 4.807 0.451 10.457 1.00 15.00 C ATOM 1896 O ASP B 134 5.027 1.519 11.021 1.00 15.00 O ATOM 1897 CB ASP B 134 3.322 -0.965 11.883 1.00 15.00 C ATOM 1898 CG ASP B 134 3.085 -0.028 13.053 1.00 15.00 C ATOM 1899 OD1 ASP B 134 3.832 -0.116 14.051 1.00 15.00 O ATOM 1900 OD2 ASP B 134 2.141 0.793 12.983 1.00 15.00 O1- ATOM 0 H ASP B 134 3.416 -2.105 9.625 1.00 15.00 H new ATOM 0 HA ASP B 134 2.673 0.558 10.509 1.00 15.00 H new ATOM 0 HB2 ASP B 134 2.504 -1.683 11.824 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.234 -1.535 12.057 1.00 15.00 H new ATOM 1905 N HIS B 135 5.725 -0.176 9.742 1.00 15.00 N ATOM 1906 CA HIS B 135 7.069 0.369 9.592 1.00 15.00 C ATOM 1907 C HIS B 135 7.139 1.420 8.488 1.00 15.00 C ATOM 1908 O HIS B 135 7.844 2.420 8.625 1.00 15.00 O ATOM 1909 CB HIS B 135 8.074 -0.748 9.309 1.00 15.00 C ATOM 1910 CG HIS B 135 8.583 -1.420 10.545 1.00 15.00 C ATOM 1911 ND1 HIS B 135 9.933 -1.566 10.778 1.00 15.00 N ATOM 1912 CD2 HIS B 135 7.895 -1.970 11.573 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.034 -2.195 11.936 1.00 15.00 C ATOM 1914 NE2 HIS B 135 8.826 -2.458 12.453 1.00 15.00 N ATOM 0 H HIS B 135 5.568 -1.059 9.257 1.00 15.00 H new ATOM 0 HA HIS B 135 7.325 0.855 10.534 1.00 15.00 H new ATOM 0 HB2 HIS B 135 7.605 -1.493 8.666 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.918 -0.335 8.756 1.00 15.00 H new ATOM 0 HD2 HIS B 135 6.821 -2.015 11.679 1.00 15.00 H new ATOM 0 HE1 HIS B 135 10.969 -2.462 12.405 1.00 15.00 H new ATOM 0 HE2 HIS B 135 8.635 -2.932 13.336 1.00 15.00 H new ATOM 1922 N ASP B 136 6.393 1.214 7.410 1.00 15.00 N ATOM 1923 CA ASP B 136 6.410 2.152 6.289 1.00 15.00 C ATOM 1924 C ASP B 136 5.836 3.511 6.680 1.00 15.00 C ATOM 1925 O ASP B 136 6.226 4.536 6.127 1.00 15.00 O ATOM 1926 CB ASP B 136 5.658 1.591 5.086 1.00 15.00 C ATOM 1927 CG ASP B 136 6.267 2.058 3.778 1.00 15.00 C ATOM 1928 OD1 ASP B 136 7.317 1.516 3.382 1.00 15.00 O ATOM 1929 OD2 ASP B 136 5.695 2.965 3.136 1.00 15.00 O1- ATOM 0 H ASP B 136 5.773 0.414 7.286 1.00 15.00 H new ATOM 0 HA ASP B 136 7.454 2.293 6.011 1.00 15.00 H new ATOM 0 HB2 ASP B 136 5.670 0.502 5.125 1.00 15.00 H new ATOM 0 HB3 ASP B 136 4.614 1.900 5.133 1.00 15.00 H new ATOM 1934 N LYS B 137 4.907 3.523 7.633 1.00 15.00 N ATOM 1935 CA LYS B 137 4.327 4.781 8.095 1.00 15.00 C ATOM 1936 C LYS B 137 5.382 5.572 8.866 1.00 15.00 C ATOM 1937 O LYS B 137 5.322 6.799 8.958 1.00 15.00 O ATOM 1938 CB LYS B 137 3.093 4.537 8.973 1.00 15.00 C ATOM 1939 CG LYS B 137 3.412 3.978 10.351 1.00 15.00 C ATOM 1940 CD LYS B 137 2.151 3.696 11.154 1.00 15.00 C ATOM 1941 CE LYS B 137 1.207 2.768 10.407 1.00 15.00 C ATOM 1942 NZ LYS B 137 0.328 2.002 11.331 1.00 15.00 N1+ ATOM 0 H LYS B 137 4.544 2.689 8.095 1.00 15.00 H new ATOM 0 HA LYS B 137 4.003 5.355 7.227 1.00 15.00 H new ATOM 0 HB2 LYS B 137 2.552 5.476 9.090 1.00 15.00 H new ATOM 0 HB3 LYS B 137 2.425 3.846 8.458 1.00 15.00 H new ATOM 0 HG2 LYS B 137 3.988 3.059 10.246 1.00 15.00 H new ATOM 0 HG3 LYS B 137 4.038 4.686 10.894 1.00 15.00 H new ATOM 0 HD2 LYS B 137 2.421 3.248 12.111 1.00 15.00 H new ATOM 0 HD3 LYS B 137 1.641 4.634 11.374 1.00 15.00 H new ATOM 0 HE2 LYS B 137 0.592 3.352 9.723 1.00 15.00 H new ATOM 0 HE3 LYS B 137 1.787 2.073 9.800 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 -0.098 1.202 10.821 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 0.891 1.644 12.129 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 -0.424 2.624 11.690 1.00 15.00 H new ATOM 1956 N LYS B 138 6.349 4.844 9.414 1.00 15.00 N ATOM 1957 CA LYS B 138 7.446 5.442 10.157 1.00 15.00 C ATOM 1958 C LYS B 138 8.520 5.884 9.172 1.00 15.00 C ATOM 1959 O LYS B 138 9.259 6.840 9.416 1.00 15.00 O ATOM 1960 CB LYS B 138 8.017 4.434 11.164 1.00 15.00 C ATOM 1961 CG LYS B 138 8.980 5.041 12.171 1.00 15.00 C ATOM 1962 CD LYS B 138 8.338 6.180 12.948 1.00 15.00 C ATOM 1963 CE LYS B 138 9.060 6.426 14.261 1.00 15.00 C ATOM 1964 NZ LYS B 138 8.721 5.400 15.282 1.00 15.00 N1+ ATOM 0 H LYS B 138 6.392 3.827 9.355 1.00 15.00 H new ATOM 0 HA LYS B 138 7.087 6.307 10.715 1.00 15.00 H new ATOM 0 HB2 LYS B 138 7.192 3.967 11.702 1.00 15.00 H new ATOM 0 HB3 LYS B 138 8.530 3.642 10.618 1.00 15.00 H new ATOM 0 HG2 LYS B 138 9.314 4.270 12.865 1.00 15.00 H new ATOM 0 HG3 LYS B 138 9.865 5.408 11.652 1.00 15.00 H new ATOM 0 HD2 LYS B 138 8.354 7.088 12.346 1.00 15.00 H new ATOM 0 HD3 LYS B 138 7.292 5.945 13.144 1.00 15.00 H new ATOM 0 HE2 LYS B 138 10.136 6.425 14.089 1.00 15.00 H new ATOM 0 HE3 LYS B 138 8.799 7.414 14.639 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 9.095 5.694 16.207 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 7.688 5.299 15.343 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 9.142 4.489 15.011 1.00 15.00 H new ATOM 1978 N GLU B 139 8.578 5.188 8.042 1.00 15.00 N ATOM 1979 CA GLU B 139 9.534 5.500 6.990 1.00 15.00 C ATOM 1980 C GLU B 139 9.289 6.897 6.454 1.00 15.00 C ATOM 1981 O GLU B 139 10.222 7.597 6.085 1.00 15.00 O ATOM 1982 CB GLU B 139 9.441 4.483 5.855 1.00 15.00 C ATOM 1983 CG GLU B 139 10.219 3.210 6.129 1.00 15.00 C ATOM 1984 CD GLU B 139 11.664 3.489 6.478 1.00 15.00 C ATOM 1985 OE1 GLU B 139 12.421 3.923 5.585 1.00 15.00 O ATOM 1986 OE2 GLU B 139 12.052 3.278 7.648 1.00 15.00 O1- ATOM 0 H GLU B 139 7.968 4.398 7.832 1.00 15.00 H new ATOM 0 HA GLU B 139 10.536 5.453 7.416 1.00 15.00 H new ATOM 0 HB2 GLU B 139 8.394 4.232 5.685 1.00 15.00 H new ATOM 0 HB3 GLU B 139 9.812 4.938 4.937 1.00 15.00 H new ATOM 0 HG2 GLU B 139 9.747 2.667 6.948 1.00 15.00 H new ATOM 0 HG3 GLU B 139 10.177 2.564 5.252 1.00 15.00 H new ATOM 1993 N ALA B 140 8.023 7.302 6.428 1.00 15.00 N ATOM 1994 CA ALA B 140 7.659 8.631 5.955 1.00 15.00 C ATOM 1995 C ALA B 140 8.272 9.703 6.853 1.00 15.00 C ATOM 1996 O ALA B 140 8.528 10.822 6.416 1.00 15.00 O ATOM 1997 CB ALA B 140 6.145 8.781 5.900 1.00 15.00 C ATOM 0 H ALA B 140 7.234 6.729 6.729 1.00 15.00 H new ATOM 0 HA ALA B 140 8.054 8.759 4.947 1.00 15.00 H new ATOM 0 HB1 ALA B 140 5.891 9.780 5.545 1.00 15.00 H new ATOM 0 HB2 ALA B 140 5.730 8.037 5.220 1.00 15.00 H new ATOM 0 HB3 ALA B 140 5.728 8.634 6.896 1.00 15.00 H new ATOM 2003 N GLU B 141 8.516 9.339 8.106 1.00 15.00 N ATOM 2004 CA GLU B 141 9.108 10.250 9.074 1.00 15.00 C ATOM 2005 C GLU B 141 10.625 10.265 8.924 1.00 15.00 C ATOM 2006 O GLU B 141 11.260 11.318 8.979 1.00 15.00 O ATOM 2007 CB GLU B 141 8.737 9.820 10.494 1.00 15.00 C ATOM 2008 CG GLU B 141 8.205 10.950 11.356 1.00 15.00 C ATOM 2009 CD GLU B 141 6.916 11.523 10.813 1.00 15.00 C ATOM 2010 OE1 GLU B 141 6.930 12.675 10.331 1.00 15.00 O ATOM 2011 OE2 GLU B 141 5.886 10.820 10.852 1.00 15.00 O1- ATOM 0 H GLU B 141 8.310 8.411 8.476 1.00 15.00 H new ATOM 0 HA GLU B 141 8.722 11.253 8.890 1.00 15.00 H new ATOM 0 HB2 GLU B 141 7.986 9.032 10.441 1.00 15.00 H new ATOM 0 HB3 GLU B 141 9.616 9.391 10.975 1.00 15.00 H new ATOM 0 HG2 GLU B 141 8.040 10.585 12.370 1.00 15.00 H new ATOM 0 HG3 GLU B 141 8.954 11.740 11.420 1.00 15.00 H new ATOM 2018 N ARG B 142 11.197 9.083 8.720 1.00 15.00 N ATOM 2019 CA ARG B 142 12.642 8.943 8.579 1.00 15.00 C ATOM 2020 C ARG B 142 13.121 9.422 7.214 1.00 15.00 C ATOM 2021 O ARG B 142 13.972 10.306 7.123 1.00 15.00 O ATOM 2022 CB ARG B 142 13.067 7.486 8.799 1.00 15.00 C ATOM 2023 CG ARG B 142 14.566 7.266 8.665 1.00 15.00 C ATOM 2024 CD ARG B 142 15.013 5.947 9.283 1.00 15.00 C ATOM 2025 NE ARG B 142 14.499 4.781 8.562 1.00 15.00 N ATOM 2026 CZ ARG B 142 15.225 4.029 7.733 1.00 15.00 C ATOM 2027 NH1 ARG B 142 16.500 4.311 7.496 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 14.659 3.000 7.124 1.00 15.00 N ATOM 0 H ARG B 142 10.681 8.206 8.648 1.00 15.00 H new ATOM 0 HA ARG B 142 13.106 9.570 9.341 1.00 15.00 H new ATOM 0 HB2 ARG B 142 12.748 7.169 9.792 1.00 15.00 H new ATOM 0 HB3 ARG B 142 12.549 6.852 8.080 1.00 15.00 H new ATOM 0 HG2 ARG B 142 14.841 7.282 7.610 1.00 15.00 H new ATOM 0 HG3 ARG B 142 15.096 8.088 9.145 1.00 15.00 H new ATOM 0 HD2 ARG B 142 16.102 5.908 9.298 1.00 15.00 H new ATOM 0 HD3 ARG B 142 14.678 5.904 10.319 1.00 15.00 H new ATOM 0 HE ARG B 142 13.521 4.527 8.703 1.00 15.00 H new ATOM 0 HH11 ARG B 142 16.938 5.112 7.950 1.00 15.00 H new ATOM 0 HH12 ARG B 142 17.042 3.726 6.860 1.00 15.00 H new ATOM 0 HH21 ARG B 142 13.675 2.787 7.290 1.00 15.00 H new ATOM 0 HH22 ARG B 142 15.206 2.419 6.488 1.00 15.00 H new ATOM 2042 N LYS B 143 12.544 8.864 6.156 1.00 15.00 N ATOM 2043 CA LYS B 143 12.934 9.209 4.790 1.00 15.00 C ATOM 2044 C LYS B 143 12.707 10.681 4.484 1.00 15.00 C ATOM 2045 O LYS B 143 13.322 11.220 3.567 1.00 15.00 O ATOM 2046 CB LYS B 143 12.181 8.336 3.781 1.00 15.00 C ATOM 2047 CG LYS B 143 12.632 6.880 3.778 1.00 15.00 C ATOM 2048 CD LYS B 143 14.055 6.735 3.251 1.00 15.00 C ATOM 2049 CE LYS B 143 14.550 5.298 3.341 1.00 15.00 C ATOM 2050 NZ LYS B 143 14.812 4.882 4.743 1.00 15.00 N1+ ATOM 0 H LYS B 143 11.801 8.168 6.216 1.00 15.00 H new ATOM 0 HA LYS B 143 14.003 9.018 4.702 1.00 15.00 H new ATOM 0 HB2 LYS B 143 11.115 8.377 4.002 1.00 15.00 H new ATOM 0 HB3 LYS B 143 12.315 8.751 2.782 1.00 15.00 H new ATOM 0 HG2 LYS B 143 12.575 6.479 4.790 1.00 15.00 H new ATOM 0 HG3 LYS B 143 11.953 6.289 3.163 1.00 15.00 H new ATOM 0 HD2 LYS B 143 14.094 7.068 2.214 1.00 15.00 H new ATOM 0 HD3 LYS B 143 14.721 7.385 3.819 1.00 15.00 H new ATOM 0 HE2 LYS B 143 13.809 4.632 2.898 1.00 15.00 H new ATOM 0 HE3 LYS B 143 15.463 5.193 2.756 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 15.537 4.137 4.754 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 15.147 5.700 5.291 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 13.935 4.518 5.167 1.00 15.00 H new ATOM 2064 N ALA B 144 11.835 11.329 5.245 1.00 15.00 N ATOM 2065 CA ALA B 144 11.563 12.746 5.049 1.00 15.00 C ATOM 2066 C ALA B 144 12.848 13.556 5.172 1.00 15.00 C ATOM 2067 O ALA B 144 13.184 14.347 4.291 1.00 15.00 O ATOM 2068 CB ALA B 144 10.534 13.237 6.054 1.00 15.00 C ATOM 0 H ALA B 144 11.305 10.897 6.002 1.00 15.00 H new ATOM 0 HA ALA B 144 11.159 12.882 4.046 1.00 15.00 H new ATOM 0 HB1 ALA B 144 10.344 14.298 5.891 1.00 15.00 H new ATOM 0 HB2 ALA B 144 9.606 12.679 5.927 1.00 15.00 H new ATOM 0 HB3 ALA B 144 10.912 13.087 7.065 1.00 15.00 H new ATOM 2074 N LEU B 145 13.567 13.348 6.267 1.00 15.00 N ATOM 2075 CA LEU B 145 14.817 14.059 6.505 1.00 15.00 C ATOM 2076 C LEU B 145 16.005 13.289 5.927 1.00 15.00 C ATOM 2077 O LEU B 145 16.977 13.882 5.467 1.00 15.00 O ATOM 2078 CB LEU B 145 15.031 14.294 8.010 1.00 15.00 C ATOM 2079 CG LEU B 145 14.199 15.424 8.640 1.00 15.00 C ATOM 2080 CD1 LEU B 145 14.226 16.671 7.767 1.00 15.00 C ATOM 2081 CD2 LEU B 145 12.764 14.978 8.888 1.00 15.00 C ATOM 0 H LEU B 145 13.307 12.693 7.004 1.00 15.00 H new ATOM 0 HA LEU B 145 14.750 15.024 6.002 1.00 15.00 H new ATOM 0 HB2 LEU B 145 14.807 13.367 8.538 1.00 15.00 H new ATOM 0 HB3 LEU B 145 16.086 14.510 8.178 1.00 15.00 H new ATOM 0 HG LEU B 145 14.649 15.668 9.602 1.00 15.00 H new ATOM 0 HD11 LEU B 145 13.630 17.455 8.234 1.00 15.00 H new ATOM 0 HD12 LEU B 145 15.254 17.014 7.655 1.00 15.00 H new ATOM 0 HD13 LEU B 145 13.813 16.437 6.786 1.00 15.00 H new ATOM 0 HD21 LEU B 145 12.200 15.797 9.334 1.00 15.00 H new ATOM 0 HD22 LEU B 145 12.303 14.693 7.942 1.00 15.00 H new ATOM 0 HD23 LEU B 145 12.760 14.124 9.566 1.00 15.00 H new ATOM 2093 N GLU B 146 15.904 11.965 5.943 1.00 15.00 N ATOM 2094 CA GLU B 146 16.965 11.093 5.443 1.00 15.00 C ATOM 2095 C GLU B 146 17.245 11.329 3.961 1.00 15.00 C ATOM 2096 O GLU B 146 18.380 11.606 3.576 1.00 15.00 O ATOM 2097 CB GLU B 146 16.571 9.633 5.663 1.00 15.00 C ATOM 2098 CG GLU B 146 17.740 8.695 5.912 1.00 15.00 C ATOM 2099 CD GLU B 146 17.279 7.340 6.409 1.00 15.00 C ATOM 2100 OE1 GLU B 146 16.384 6.746 5.770 1.00 15.00 O ATOM 2101 OE2 GLU B 146 17.806 6.863 7.442 1.00 15.00 O1- ATOM 0 H GLU B 146 15.090 11.466 6.301 1.00 15.00 H new ATOM 0 HA GLU B 146 17.876 11.325 5.995 1.00 15.00 H new ATOM 0 HB2 GLU B 146 15.890 9.578 6.512 1.00 15.00 H new ATOM 0 HB3 GLU B 146 16.020 9.283 4.790 1.00 15.00 H new ATOM 0 HG2 GLU B 146 18.308 8.570 4.990 1.00 15.00 H new ATOM 0 HG3 GLU B 146 18.414 9.140 6.644 1.00 15.00 H new ATOM 2108 N ASP B 147 16.206 11.225 3.135 1.00 15.00 N ATOM 2109 CA ASP B 147 16.349 11.412 1.688 1.00 15.00 C ATOM 2110 C ASP B 147 16.712 12.854 1.352 1.00 15.00 C ATOM 2111 O ASP B 147 17.359 13.122 0.339 1.00 15.00 O ATOM 2112 CB ASP B 147 15.056 11.013 0.967 1.00 15.00 C ATOM 2113 CG ASP B 147 15.116 11.248 -0.530 1.00 15.00 C ATOM 2114 OD1 ASP B 147 15.781 10.459 -1.234 1.00 15.00 O ATOM 2115 OD2 ASP B 147 14.488 12.215 -1.012 1.00 15.00 O1- ATOM 0 H ASP B 147 15.256 11.013 3.440 1.00 15.00 H new ATOM 0 HA ASP B 147 17.159 10.768 1.346 1.00 15.00 H new ATOM 0 HB2 ASP B 147 14.851 9.959 1.156 1.00 15.00 H new ATOM 0 HB3 ASP B 147 14.224 11.579 1.385 1.00 15.00 H new ATOM 2120 N LYS B 148 16.303 13.771 2.217 1.00 15.00 N ATOM 2121 CA LYS B 148 16.577 15.186 2.025 1.00 15.00 C ATOM 2122 C LYS B 148 18.048 15.493 2.314 1.00 15.00 C ATOM 2123 O LYS B 148 18.685 16.268 1.597 1.00 15.00 O ATOM 2124 CB LYS B 148 15.675 16.025 2.932 1.00 15.00 C ATOM 2125 CG LYS B 148 15.696 17.509 2.611 1.00 15.00 C ATOM 2126 CD LYS B 148 14.906 18.311 3.630 1.00 15.00 C ATOM 2127 CE LYS B 148 14.836 19.781 3.248 1.00 15.00 C ATOM 2128 NZ LYS B 148 14.222 20.608 4.318 1.00 15.00 N1+ ATOM 0 H LYS B 148 15.777 13.557 3.064 1.00 15.00 H new ATOM 0 HA LYS B 148 16.369 15.441 0.986 1.00 15.00 H new ATOM 0 HB2 LYS B 148 14.651 15.659 2.850 1.00 15.00 H new ATOM 0 HB3 LYS B 148 15.983 15.882 3.968 1.00 15.00 H new ATOM 0 HG2 LYS B 148 16.727 17.863 2.588 1.00 15.00 H new ATOM 0 HG3 LYS B 148 15.281 17.673 1.617 1.00 15.00 H new ATOM 0 HD2 LYS B 148 13.897 17.906 3.710 1.00 15.00 H new ATOM 0 HD3 LYS B 148 15.369 18.211 4.612 1.00 15.00 H new ATOM 0 HE2 LYS B 148 15.840 20.149 3.038 1.00 15.00 H new ATOM 0 HE3 LYS B 148 14.258 19.889 2.330 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 14.194 21.603 4.015 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 13.254 20.275 4.502 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 14.787 20.526 5.187 1.00 15.00 H new ATOM 2142 N LEU B 149 18.577 14.881 3.365 1.00 15.00 N ATOM 2143 CA LEU B 149 19.963 15.088 3.755 1.00 15.00 C ATOM 2144 C LEU B 149 20.904 14.340 2.819 1.00 15.00 C ATOM 2145 O LEU B 149 21.909 14.887 2.362 1.00 15.00 O ATOM 2146 CB LEU B 149 20.188 14.616 5.195 1.00 15.00 C ATOM 2147 CG LEU B 149 21.609 14.807 5.727 1.00 15.00 C ATOM 2148 CD1 LEU B 149 21.836 16.254 6.137 1.00 15.00 C ATOM 2149 CD2 LEU B 149 21.874 13.862 6.891 1.00 15.00 C ATOM 0 H LEU B 149 18.064 14.235 3.964 1.00 15.00 H new ATOM 0 HA LEU B 149 20.176 16.155 3.690 1.00 15.00 H new ATOM 0 HB2 LEU B 149 19.498 15.150 5.848 1.00 15.00 H new ATOM 0 HB3 LEU B 149 19.932 13.558 5.258 1.00 15.00 H new ATOM 0 HG LEU B 149 22.313 14.568 4.930 1.00 15.00 H new ATOM 0 HD11 LEU B 149 22.852 16.370 6.513 1.00 15.00 H new ATOM 0 HD12 LEU B 149 21.692 16.904 5.274 1.00 15.00 H new ATOM 0 HD13 LEU B 149 21.127 16.526 6.919 1.00 15.00 H new ATOM 0 HD21 LEU B 149 22.890 14.012 7.257 1.00 15.00 H new ATOM 0 HD22 LEU B 149 21.165 14.066 7.694 1.00 15.00 H new ATOM 0 HD23 LEU B 149 21.757 12.831 6.557 1.00 15.00 H new ATOM 2161 N ALA B 150 20.569 13.090 2.537 1.00 15.00 N ATOM 2162 CA ALA B 150 21.384 12.264 1.667 1.00 15.00 C ATOM 2163 C ALA B 150 21.187 12.646 0.206 1.00 15.00 C ATOM 2164 O ALA B 150 20.139 12.376 -0.378 1.00 15.00 O ATOM 2165 CB ALA B 150 21.058 10.792 1.874 1.00 15.00 C ATOM 0 H ALA B 150 19.736 12.627 2.900 1.00 15.00 H new ATOM 0 HA ALA B 150 22.429 12.434 1.925 1.00 15.00 H new ATOM 0 HB1 ALA B 150 21.678 10.186 1.214 1.00 15.00 H new ATOM 0 HB2 ALA B 150 21.255 10.518 2.910 1.00 15.00 H new ATOM 0 HB3 ALA B 150 20.007 10.617 1.646 1.00 15.00 H new ATOM 2171 N ASP B 151 22.191 13.287 -0.376 1.00 15.00 N ATOM 2172 CA ASP B 151 22.129 13.690 -1.775 1.00 15.00 C ATOM 2173 C ASP B 151 22.351 12.482 -2.681 1.00 15.00 C ATOM 2174 O ASP B 151 21.728 12.360 -3.736 1.00 15.00 O ATOM 2175 CB ASP B 151 23.167 14.779 -2.078 1.00 15.00 C ATOM 2176 CG ASP B 151 24.549 14.443 -1.549 1.00 15.00 C ATOM 2177 OD1 ASP B 151 24.735 14.460 -0.314 1.00 15.00 O ATOM 2178 OD2 ASP B 151 25.456 14.172 -2.360 1.00 15.00 O1- ATOM 0 H ASP B 151 23.058 13.539 0.098 1.00 15.00 H new ATOM 0 HA ASP B 151 21.138 14.101 -1.969 1.00 15.00 H new ATOM 0 HB2 ASP B 151 23.223 14.930 -3.156 1.00 15.00 H new ATOM 0 HB3 ASP B 151 22.836 15.721 -1.641 1.00 15.00 H new ATOM 2183 N TYR B 152 23.226 11.582 -2.247 1.00 15.00 N ATOM 2184 CA TYR B 152 23.534 10.377 -2.999 1.00 15.00 C ATOM 2185 C TYR B 152 23.736 9.211 -2.044 1.00 15.00 C ATOM 2186 O TYR B 152 23.129 8.143 -2.260 1.00 15.00 O ATOM 2187 CB TYR B 152 24.787 10.576 -3.859 1.00 15.00 C ATOM 2188 CG TYR B 152 24.571 11.483 -5.054 1.00 15.00 C ATOM 2189 CD1 TYR B 152 25.272 12.675 -5.181 1.00 15.00 C ATOM 2190 CD2 TYR B 152 23.663 11.145 -6.049 1.00 15.00 C ATOM 2191 CE1 TYR B 152 25.073 13.506 -6.264 1.00 15.00 C ATOM 2192 CE2 TYR B 152 23.461 11.972 -7.136 1.00 15.00 C ATOM 2193 CZ TYR B 152 24.168 13.150 -7.239 1.00 15.00 C ATOM 2194 OH TYR B 152 23.969 13.979 -8.321 1.00 15.00 O ATOM 2195 OXT TYR B 152 24.497 9.373 -1.066 1.00 15.00 O1- ATOM 0 H TYR B 152 23.738 11.668 -1.369 1.00 15.00 H new ATOM 0 HA TYR B 152 22.697 10.159 -3.662 1.00 15.00 H new ATOM 0 HB2 TYR B 152 25.580 10.992 -3.238 1.00 15.00 H new ATOM 0 HB3 TYR B 152 25.133 9.604 -4.210 1.00 15.00 H new ATOM 0 HD1 TYR B 152 25.985 12.956 -4.420 1.00 15.00 H new ATOM 0 HD2 TYR B 152 23.107 10.222 -5.971 1.00 15.00 H new ATOM 0 HE1 TYR B 152 25.624 14.431 -6.347 1.00 15.00 H new ATOM 0 HE2 TYR B 152 22.752 11.697 -7.902 1.00 15.00 H new ATOM 0 HH TYR B 152 23.300 13.583 -8.918 1.00 15.00 H new TER 2205 TYR B 152