USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 67 TYR OH : rot -156:sc= 1.06 USER MOD Set 1.2: A 80 MET CE :methyl -166:sc= -0.0303 (180deg=-0.431) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 162:sc=-0.00989 (180deg=-0.142) USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-6.5!) USER MOD Set 4.1: A 19 THR OG1 : rot -150:sc= -0.686 USER MOD Set 4.2: A 31 ASN : amide:sc= -2.97! C(o=-3.7!,f=-3.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= 0.00189 (180deg=-0.408) USER MOD Single : A 7 LYS NZ :NH3+ -100:sc= -0.643 (180deg=-1.98!) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -1.19 (180deg=-2.17!) USER MOD Single : A 12 MET CE :methyl -117:sc= -0.253 (180deg=-0.908) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 124:sc= 0.886 USER MOD Single : A 15 SER OG : rot -151:sc= 0.0737 USER MOD Single : A 16 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 18 HIS : no HE2:sc= -3.06! C(o=-3.1!,f=-5.2!) USER MOD Single : A 26 HIS : no HD1:sc= -15.3! C(o=-15!,f=-16!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -115:sc= -0.167 (180deg=-0.592) USER MOD Single : A 40 THR OG1 : rot 160:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.787 F(o=-2.5,f=-0.79) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.0778 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 52 ASN : amide:sc= -4.04! C(o=-4!,f=-8.6!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0259 K(o=-0.026,f=-0.53) USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 1.69 (180deg=1.5) USER MOD Single : A 63 THR OG1 : rot -158:sc= -0.0442 USER MOD Single : A 65 MET CE :methyl 180:sc=-0.00475 (180deg=-0.00475) USER MOD Single : A 70 ASN : amide:sc= -1.18 K(o=-1.2,f=-5.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -113:sc= -1.45 (180deg=-2.76!) USER MOD Single : A 74 TYR OH : rot 130:sc= -1.1 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : A 79 LYS NZ :NH3+ -133:sc= -1.8 (180deg=-4.14!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.206) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= -0.573 (180deg=-0.703) USER MOD Single : A 100 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.017) USER MOD Single : A 102 THR OG1 : rot 46:sc= -3.7! USER MOD Single : A 103 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.930 1.251 -0.061 1.00 73.12 N ATOM 2 CA GLY A 1 1.084 1.099 -1.497 1.00 23.12 C ATOM 3 C GLY A 1 1.699 -0.258 -1.844 1.00 15.10 C ATOM 4 O GLY A 1 2.915 -0.374 -1.990 1.00 23.01 O ATOM 0 H1 GLY A 1 0.511 2.180 0.147 1.00 73.12 H new ATOM 0 H2 GLY A 1 0.308 0.501 0.303 1.00 73.12 H new ATOM 0 H3 GLY A 1 1.861 1.181 0.397 1.00 73.12 H new ATOM 0 HA2 GLY A 1 0.113 1.197 -1.982 1.00 23.12 H new ATOM 0 HA3 GLY A 1 1.716 1.898 -1.885 1.00 23.12 H new ATOM 8 N ASP A 2 0.830 -1.253 -1.963 1.00 31.34 N ATOM 9 CA ASP A 2 1.273 -2.597 -2.288 1.00 62.51 C ATOM 10 C ASP A 2 1.857 -2.610 -3.703 1.00 14.32 C ATOM 11 O ASP A 2 1.725 -1.634 -4.440 1.00 25.10 O ATOM 12 CB ASP A 2 0.106 -3.586 -2.249 1.00 74.02 C ATOM 13 CG ASP A 2 -0.464 -3.860 -0.855 1.00 73.22 C ATOM 14 OD1 ASP A 2 -0.815 -5.002 -0.523 1.00 54.32 O ATOM 15 OD2 ASP A 2 -0.542 -2.828 -0.086 1.00 63.02 O1- ATOM 0 H ASP A 2 -0.178 -1.154 -1.840 1.00 31.34 H new ATOM 0 HA ASP A 2 2.021 -2.892 -1.552 1.00 62.51 H new ATOM 0 HB2 ASP A 2 -0.694 -3.206 -2.884 1.00 74.02 H new ATOM 0 HB3 ASP A 2 0.435 -4.530 -2.682 1.00 74.02 H new ATOM 21 N VAL A 3 2.489 -3.724 -4.038 1.00 32.11 N ATOM 22 CA VAL A 3 3.092 -3.876 -5.351 1.00 21.23 C ATOM 23 C VAL A 3 2.340 -4.956 -6.132 1.00 32.03 C ATOM 24 O VAL A 3 2.140 -4.829 -7.339 1.00 72.34 O ATOM 25 CB VAL A 3 4.586 -4.174 -5.209 1.00 43.02 C ATOM 26 CG1 VAL A 3 4.840 -5.177 -4.083 1.00 11.15 C ATOM 27 CG2 VAL A 3 5.174 -4.672 -6.530 1.00 25.11 C ATOM 0 H VAL A 3 2.597 -4.531 -3.423 1.00 32.11 H new ATOM 0 HA VAL A 3 3.010 -2.948 -5.918 1.00 21.23 H new ATOM 0 HB VAL A 3 5.090 -3.243 -4.948 1.00 43.02 H new ATOM 0 HG11 VAL A 3 5.910 -5.371 -4.003 1.00 11.15 H new ATOM 0 HG12 VAL A 3 4.475 -4.767 -3.141 1.00 11.15 H new ATOM 0 HG13 VAL A 3 4.317 -6.108 -4.301 1.00 11.15 H new ATOM 0 HG21 VAL A 3 6.237 -4.876 -6.401 1.00 25.11 H new ATOM 0 HG22 VAL A 3 4.663 -5.586 -6.834 1.00 25.11 H new ATOM 0 HG23 VAL A 3 5.042 -3.910 -7.298 1.00 25.11 H new ATOM 37 N GLU A 4 1.942 -5.994 -5.411 1.00 73.22 N ATOM 38 CA GLU A 4 1.215 -7.095 -6.021 1.00 63.21 C ATOM 39 C GLU A 4 -0.124 -6.605 -6.574 1.00 2.11 C ATOM 40 O GLU A 4 -0.473 -6.901 -7.716 1.00 24.52 O ATOM 41 CB GLU A 4 1.013 -8.237 -5.023 1.00 11.11 C ATOM 42 CG GLU A 4 0.513 -9.499 -5.729 1.00 4.20 C ATOM 43 CD GLU A 4 1.641 -10.169 -6.518 1.00 44.00 C ATOM 44 OE1 GLU A 4 2.433 -10.928 -5.940 1.00 12.45 O ATOM 45 OE2 GLU A 4 1.676 -9.878 -7.773 1.00 23.24 O1- ATOM 0 H GLU A 4 2.109 -6.096 -4.410 1.00 73.22 H new ATOM 0 HA GLU A 4 1.807 -7.482 -6.850 1.00 63.21 H new ATOM 0 HB2 GLU A 4 1.952 -8.449 -4.513 1.00 11.11 H new ATOM 0 HB3 GLU A 4 0.296 -7.935 -4.259 1.00 11.11 H new ATOM 0 HG2 GLU A 4 0.114 -10.198 -4.994 1.00 4.20 H new ATOM 0 HG3 GLU A 4 -0.305 -9.243 -6.403 1.00 4.20 H new ATOM 53 N LYS A 5 -0.837 -5.864 -5.739 1.00 75.34 N ATOM 54 CA LYS A 5 -2.131 -5.330 -6.130 1.00 44.05 C ATOM 55 C LYS A 5 -1.950 -4.395 -7.328 1.00 71.23 C ATOM 56 O LYS A 5 -2.516 -4.629 -8.394 1.00 12.12 O ATOM 57 CB LYS A 5 -2.824 -4.674 -4.935 1.00 52.33 C ATOM 58 CG LYS A 5 -3.574 -5.711 -4.098 1.00 25.44 C ATOM 59 CD LYS A 5 -2.684 -6.916 -3.790 1.00 53.34 C ATOM 60 CE LYS A 5 -3.275 -7.761 -2.660 1.00 54.44 C ATOM 61 NZ LYS A 5 -3.211 -7.027 -1.376 1.00 55.34 N1+ ATOM 0 H LYS A 5 -0.543 -5.621 -4.793 1.00 75.34 H new ATOM 0 HA LYS A 5 -2.795 -6.133 -6.450 1.00 44.05 H new ATOM 0 HB2 LYS A 5 -2.085 -4.167 -4.315 1.00 52.33 H new ATOM 0 HB3 LYS A 5 -3.521 -3.913 -5.287 1.00 52.33 H new ATOM 0 HG2 LYS A 5 -3.911 -5.256 -3.167 1.00 25.44 H new ATOM 0 HG3 LYS A 5 -4.465 -6.040 -4.633 1.00 25.44 H new ATOM 0 HD2 LYS A 5 -2.572 -7.528 -4.685 1.00 53.34 H new ATOM 0 HD3 LYS A 5 -1.688 -6.574 -3.510 1.00 53.34 H new ATOM 0 HE2 LYS A 5 -4.310 -8.014 -2.890 1.00 54.44 H new ATOM 0 HE3 LYS A 5 -2.729 -8.700 -2.576 1.00 54.44 H new ATOM 0 HZ1 LYS A 5 -3.203 -7.706 -0.588 1.00 55.34 H new ATOM 0 HZ2 LYS A 5 -2.344 -6.453 -1.347 1.00 55.34 H new ATOM 0 HZ3 LYS A 5 -4.041 -6.406 -1.289 1.00 55.34 H new ATOM 74 N GLY A 6 -1.161 -3.354 -7.110 1.00 50.24 N ATOM 75 CA GLY A 6 -0.899 -2.381 -8.158 1.00 73.13 C ATOM 76 C GLY A 6 -0.270 -3.050 -9.383 1.00 54.42 C ATOM 77 O GLY A 6 -0.231 -2.464 -10.463 1.00 0.33 O ATOM 0 H GLY A 6 -0.694 -3.162 -6.224 1.00 50.24 H new ATOM 0 HA2 GLY A 6 -1.829 -1.891 -8.445 1.00 73.13 H new ATOM 0 HA3 GLY A 6 -0.233 -1.605 -7.781 1.00 73.13 H new ATOM 81 N LYS A 7 0.206 -4.268 -9.171 1.00 72.11 N ATOM 82 CA LYS A 7 0.832 -5.023 -10.244 1.00 33.13 C ATOM 83 C LYS A 7 -0.253 -5.700 -11.084 1.00 72.23 C ATOM 84 O LYS A 7 -0.288 -5.542 -12.303 1.00 11.22 O ATOM 85 CB LYS A 7 1.870 -5.995 -9.680 1.00 21.32 C ATOM 86 CG LYS A 7 2.261 -7.045 -10.723 1.00 61.52 C ATOM 87 CD LYS A 7 3.704 -7.511 -10.517 1.00 32.11 C ATOM 88 CE LYS A 7 4.314 -8.002 -11.831 1.00 14.32 C ATOM 89 NZ LYS A 7 3.936 -9.410 -12.084 1.00 44.20 N1+ ATOM 0 H LYS A 7 0.171 -4.751 -8.273 1.00 72.11 H new ATOM 0 HA LYS A 7 1.382 -4.357 -10.909 1.00 33.13 H new ATOM 0 HB2 LYS A 7 2.756 -5.444 -9.364 1.00 21.32 H new ATOM 0 HB3 LYS A 7 1.469 -6.488 -8.795 1.00 21.32 H new ATOM 0 HG2 LYS A 7 1.586 -7.898 -10.656 1.00 61.52 H new ATOM 0 HG3 LYS A 7 2.149 -6.628 -11.724 1.00 61.52 H new ATOM 0 HD2 LYS A 7 4.301 -6.691 -10.119 1.00 32.11 H new ATOM 0 HD3 LYS A 7 3.729 -8.312 -9.778 1.00 32.11 H new ATOM 0 HE2 LYS A 7 3.973 -7.374 -12.654 1.00 14.32 H new ATOM 0 HE3 LYS A 7 5.400 -7.912 -11.791 1.00 14.32 H new ATOM 0 HZ1 LYS A 7 4.722 -10.035 -11.813 1.00 44.20 H new ATOM 0 HZ2 LYS A 7 3.094 -9.650 -11.523 1.00 44.20 H new ATOM 0 HZ3 LYS A 7 3.726 -9.537 -13.095 1.00 44.20 H new ATOM 102 N LYS A 8 -1.110 -6.442 -10.399 1.00 14.31 N ATOM 103 CA LYS A 8 -2.192 -7.145 -11.066 1.00 71.23 C ATOM 104 C LYS A 8 -3.005 -6.149 -11.897 1.00 33.24 C ATOM 105 O LYS A 8 -3.533 -6.500 -12.951 1.00 33.30 O ATOM 106 CB LYS A 8 -3.029 -7.928 -10.052 1.00 4.10 C ATOM 107 CG LYS A 8 -4.103 -8.762 -10.755 1.00 33.13 C ATOM 108 CD LYS A 8 -4.848 -9.649 -9.756 1.00 22.11 C ATOM 109 CE LYS A 8 -6.060 -8.921 -9.173 1.00 14.34 C ATOM 110 NZ LYS A 8 -5.631 -7.720 -8.421 1.00 11.43 N1+ ATOM 0 H LYS A 8 -1.077 -6.572 -9.388 1.00 14.31 H new ATOM 0 HA LYS A 8 -1.794 -7.888 -11.757 1.00 71.23 H new ATOM 0 HB2 LYS A 8 -2.381 -8.581 -9.467 1.00 4.10 H new ATOM 0 HB3 LYS A 8 -3.500 -7.237 -9.353 1.00 4.10 H new ATOM 0 HG2 LYS A 8 -4.809 -8.102 -11.258 1.00 33.13 H new ATOM 0 HG3 LYS A 8 -3.642 -9.382 -11.524 1.00 33.13 H new ATOM 0 HD2 LYS A 8 -5.173 -10.565 -10.249 1.00 22.11 H new ATOM 0 HD3 LYS A 8 -4.174 -9.942 -8.951 1.00 22.11 H new ATOM 0 HE2 LYS A 8 -6.739 -8.632 -9.975 1.00 14.34 H new ATOM 0 HE3 LYS A 8 -6.612 -9.591 -8.515 1.00 14.34 H new ATOM 0 HZ1 LYS A 8 -6.356 -7.473 -7.718 1.00 11.43 H new ATOM 0 HZ2 LYS A 8 -4.732 -7.916 -7.937 1.00 11.43 H new ATOM 0 HZ3 LYS A 8 -5.503 -6.925 -9.080 1.00 11.43 H new ATOM 123 N ILE A 9 -3.079 -4.927 -11.390 1.00 15.44 N ATOM 124 CA ILE A 9 -3.818 -3.879 -12.072 1.00 60.11 C ATOM 125 C ILE A 9 -3.087 -3.500 -13.362 1.00 15.22 C ATOM 126 O ILE A 9 -3.526 -3.853 -14.455 1.00 74.43 O ATOM 127 CB ILE A 9 -4.060 -2.696 -11.132 1.00 1.54 C ATOM 128 CG1 ILE A 9 -4.658 -3.164 -9.804 1.00 64.24 C ATOM 129 CG2 ILE A 9 -4.926 -1.628 -11.805 1.00 30.43 C ATOM 130 CD1 ILE A 9 -4.252 -2.231 -8.661 1.00 25.42 C ATOM 0 H ILE A 9 -2.640 -4.640 -10.516 1.00 15.44 H new ATOM 0 HA ILE A 9 -4.807 -4.236 -12.360 1.00 60.11 H new ATOM 0 HB ILE A 9 -3.097 -2.236 -10.908 1.00 1.54 H new ATOM 0 HG12 ILE A 9 -5.745 -3.198 -9.882 1.00 64.24 H new ATOM 0 HG13 ILE A 9 -4.322 -4.178 -9.587 1.00 64.24 H new ATOM 0 HG21 ILE A 9 -5.083 -0.799 -11.115 1.00 30.43 H new ATOM 0 HG22 ILE A 9 -4.424 -1.264 -12.702 1.00 30.43 H new ATOM 0 HG23 ILE A 9 -5.889 -2.059 -12.078 1.00 30.43 H new ATOM 0 HD11 ILE A 9 -4.690 -2.586 -7.728 1.00 25.42 H new ATOM 0 HD12 ILE A 9 -3.166 -2.218 -8.570 1.00 25.42 H new ATOM 0 HD13 ILE A 9 -4.610 -1.223 -8.869 1.00 25.42 H new ATOM 142 N PHE A 10 -1.984 -2.786 -13.190 1.00 13.32 N ATOM 143 CA PHE A 10 -1.187 -2.355 -14.326 1.00 72.43 C ATOM 144 C PHE A 10 -0.983 -3.502 -15.319 1.00 75.11 C ATOM 145 O PHE A 10 -0.858 -3.273 -16.521 1.00 2.34 O ATOM 146 CB PHE A 10 0.174 -1.922 -13.779 1.00 70.22 C ATOM 147 CG PHE A 10 0.818 -0.770 -14.555 1.00 44.23 C ATOM 148 CD1 PHE A 10 1.535 -1.027 -15.682 1.00 11.20 C ATOM 149 CD2 PHE A 10 0.674 0.508 -14.117 1.00 42.21 C ATOM 150 CE1 PHE A 10 2.132 0.042 -16.402 1.00 43.23 C ATOM 151 CE2 PHE A 10 1.271 1.577 -14.836 1.00 53.34 C ATOM 152 CZ PHE A 10 1.988 1.322 -15.963 1.00 42.41 C ATOM 0 H PHE A 10 -1.624 -2.495 -12.281 1.00 13.32 H new ATOM 0 HA PHE A 10 -1.692 -1.543 -14.849 1.00 72.43 H new ATOM 0 HB2 PHE A 10 0.057 -1.624 -12.737 1.00 70.22 H new ATOM 0 HB3 PHE A 10 0.849 -2.778 -13.793 1.00 70.22 H new ATOM 0 HD1 PHE A 10 1.650 -2.043 -16.029 1.00 11.20 H new ATOM 0 HD2 PHE A 10 0.105 0.711 -13.222 1.00 42.21 H new ATOM 0 HE1 PHE A 10 2.700 -0.161 -17.298 1.00 43.23 H new ATOM 0 HE2 PHE A 10 1.156 2.593 -14.488 1.00 53.34 H new ATOM 0 HZ PHE A 10 2.443 2.135 -16.509 1.00 42.41 H new ATOM 162 N ILE A 11 -0.955 -4.712 -14.779 1.00 62.12 N ATOM 163 CA ILE A 11 -0.768 -5.894 -15.602 1.00 45.21 C ATOM 164 C ILE A 11 -1.899 -5.980 -16.629 1.00 24.11 C ATOM 165 O ILE A 11 -1.657 -6.269 -17.800 1.00 4.32 O ATOM 166 CB ILE A 11 -0.639 -7.142 -14.725 1.00 64.23 C ATOM 167 CG1 ILE A 11 0.773 -7.265 -14.150 1.00 24.22 C ATOM 168 CG2 ILE A 11 -1.057 -8.397 -15.494 1.00 33.21 C ATOM 169 CD1 ILE A 11 0.804 -8.244 -12.976 1.00 43.25 C ATOM 0 H ILE A 11 -1.059 -4.899 -13.782 1.00 62.12 H new ATOM 0 HA ILE A 11 0.166 -5.825 -16.160 1.00 45.21 H new ATOM 0 HB ILE A 11 -1.321 -7.039 -13.881 1.00 64.23 H new ATOM 0 HG12 ILE A 11 1.458 -7.603 -14.928 1.00 24.22 H new ATOM 0 HG13 ILE A 11 1.122 -6.286 -13.821 1.00 24.22 H new ATOM 0 HG21 ILE A 11 -0.956 -9.270 -14.849 1.00 33.21 H new ATOM 0 HG22 ILE A 11 -2.095 -8.300 -15.813 1.00 33.21 H new ATOM 0 HG23 ILE A 11 -0.418 -8.517 -16.369 1.00 33.21 H new ATOM 0 HD11 ILE A 11 1.820 -8.313 -12.586 1.00 43.25 H new ATOM 0 HD12 ILE A 11 0.137 -7.891 -12.190 1.00 43.25 H new ATOM 0 HD13 ILE A 11 0.478 -9.228 -13.314 1.00 43.25 H new ATOM 181 N MET A 12 -3.109 -5.721 -16.154 1.00 20.04 N ATOM 182 CA MET A 12 -4.276 -5.764 -17.017 1.00 73.11 C ATOM 183 C MET A 12 -5.097 -4.479 -16.894 1.00 2.53 C ATOM 184 O MET A 12 -6.326 -4.523 -16.860 1.00 61.15 O ATOM 185 CB MET A 12 -5.147 -6.964 -16.638 1.00 10.44 C ATOM 186 CG MET A 12 -4.536 -8.269 -17.153 1.00 20.33 C ATOM 187 SD MET A 12 -5.323 -9.663 -16.366 1.00 23.32 S ATOM 188 CE MET A 12 -4.633 -9.525 -14.726 1.00 74.43 C ATOM 0 H MET A 12 -3.306 -5.481 -15.182 1.00 20.04 H new ATOM 0 HA MET A 12 -3.938 -5.860 -18.049 1.00 73.11 H new ATOM 0 HB2 MET A 12 -5.255 -7.012 -15.554 1.00 10.44 H new ATOM 0 HB3 MET A 12 -6.147 -6.838 -17.053 1.00 10.44 H new ATOM 0 HG2 MET A 12 -4.657 -8.335 -18.234 1.00 20.33 H new ATOM 0 HG3 MET A 12 -3.465 -8.284 -16.951 1.00 20.33 H new ATOM 0 HE1 MET A 12 -4.034 -10.409 -14.508 1.00 74.43 H new ATOM 0 HE2 MET A 12 -4.004 -8.637 -14.670 1.00 74.43 H new ATOM 0 HE3 MET A 12 -5.440 -9.445 -13.997 1.00 74.43 H new ATOM 198 N LYS A 13 -4.385 -3.363 -16.832 1.00 3.23 N ATOM 199 CA LYS A 13 -5.032 -2.068 -16.713 1.00 42.12 C ATOM 200 C LYS A 13 -4.391 -1.090 -17.701 1.00 34.24 C ATOM 201 O LYS A 13 -4.954 -0.815 -18.761 1.00 23.10 O ATOM 202 CB LYS A 13 -5.000 -1.584 -15.262 1.00 13.54 C ATOM 203 CG LYS A 13 -5.681 -0.221 -15.124 1.00 61.54 C ATOM 204 CD LYS A 13 -7.169 -0.314 -15.469 1.00 54.44 C ATOM 205 CE LYS A 13 -7.806 -1.545 -14.821 1.00 54.34 C ATOM 206 NZ LYS A 13 -9.280 -1.493 -14.947 1.00 20.13 N1+ ATOM 0 H LYS A 13 -3.366 -3.329 -16.862 1.00 3.23 H new ATOM 0 HA LYS A 13 -6.087 -2.144 -16.977 1.00 42.12 H new ATOM 0 HB2 LYS A 13 -5.500 -2.311 -14.621 1.00 13.54 H new ATOM 0 HB3 LYS A 13 -3.967 -1.515 -14.921 1.00 13.54 H new ATOM 0 HG2 LYS A 13 -5.563 0.147 -14.105 1.00 61.54 H new ATOM 0 HG3 LYS A 13 -5.196 0.500 -15.782 1.00 61.54 H new ATOM 0 HD2 LYS A 13 -7.682 0.586 -15.130 1.00 54.44 H new ATOM 0 HD3 LYS A 13 -7.293 -0.363 -16.551 1.00 54.44 H new ATOM 0 HE2 LYS A 13 -7.426 -2.450 -15.295 1.00 54.34 H new ATOM 0 HE3 LYS A 13 -7.527 -1.595 -13.769 1.00 54.34 H new ATOM 0 HZ1 LYS A 13 -9.696 -2.336 -14.502 1.00 20.13 H new ATOM 0 HZ2 LYS A 13 -9.639 -0.639 -14.474 1.00 20.13 H new ATOM 0 HZ3 LYS A 13 -9.542 -1.468 -15.953 1.00 20.13 H new ATOM 219 N CYS A 14 -3.224 -0.594 -17.320 1.00 0.42 N ATOM 220 CA CYS A 14 -2.501 0.347 -18.160 1.00 73.31 C ATOM 221 C CYS A 14 -1.672 -0.449 -19.169 1.00 61.22 C ATOM 222 O CYS A 14 -1.351 0.051 -20.246 1.00 3.21 O ATOM 223 CB CYS A 14 -1.634 1.295 -17.330 1.00 23.12 C ATOM 224 SG CYS A 14 -2.254 1.621 -15.638 1.00 24.50 S ATOM 0 H CYS A 14 -2.760 -0.825 -16.441 1.00 0.42 H new ATOM 0 HA CYS A 14 -3.209 0.981 -18.693 1.00 73.31 H new ATOM 0 HB2 CYS A 14 -0.629 0.878 -17.259 1.00 23.12 H new ATOM 0 HB3 CYS A 14 -1.549 2.244 -17.859 1.00 23.12 H new ATOM 0 HG CYS A 14 -1.336 1.310 -14.772 1.00 24.50 H new ATOM 229 N SER A 15 -1.347 -1.675 -18.785 1.00 53.01 N ATOM 230 CA SER A 15 -0.561 -2.545 -19.643 1.00 44.23 C ATOM 231 C SER A 15 -1.195 -2.620 -21.033 1.00 0.15 C ATOM 232 O SER A 15 -0.515 -2.917 -22.014 1.00 13.43 O ATOM 233 CB SER A 15 -0.436 -3.946 -19.039 1.00 10.33 C ATOM 234 OG SER A 15 -0.234 -4.941 -20.040 1.00 53.25 O ATOM 0 H SER A 15 -1.614 -2.086 -17.891 1.00 53.01 H new ATOM 0 HA SER A 15 0.441 -2.126 -19.731 1.00 44.23 H new ATOM 0 HB2 SER A 15 0.396 -3.965 -18.335 1.00 10.33 H new ATOM 0 HB3 SER A 15 -1.338 -4.179 -18.473 1.00 10.33 H new ATOM 0 HG SER A 15 -0.610 -5.793 -19.735 1.00 53.25 H new ATOM 240 N GLN A 16 -2.491 -2.348 -21.073 1.00 52.31 N ATOM 241 CA GLN A 16 -3.225 -2.381 -22.327 1.00 24.53 C ATOM 242 C GLN A 16 -2.478 -1.586 -23.400 1.00 24.04 C ATOM 243 O GLN A 16 -2.614 -1.863 -24.591 1.00 52.22 O ATOM 244 CB GLN A 16 -4.648 -1.850 -22.144 1.00 34.30 C ATOM 245 CG GLN A 16 -5.450 -1.974 -23.441 1.00 64.14 C ATOM 246 CD GLN A 16 -6.943 -1.752 -23.186 1.00 25.22 C ATOM 247 OE1 GLN A 16 -7.409 -1.731 -22.059 1.00 33.12 O ATOM 248 NE2 GLN A 16 -7.661 -1.588 -24.293 1.00 5.30 N ATOM 0 H GLN A 16 -3.052 -2.104 -20.257 1.00 52.31 H new ATOM 0 HA GLN A 16 -3.299 -3.418 -22.655 1.00 24.53 H new ATOM 0 HB2 GLN A 16 -5.147 -2.404 -21.349 1.00 34.30 H new ATOM 0 HB3 GLN A 16 -4.613 -0.806 -21.832 1.00 34.30 H new ATOM 0 HG2 GLN A 16 -5.089 -1.245 -24.167 1.00 64.14 H new ATOM 0 HG3 GLN A 16 -5.295 -2.961 -23.876 1.00 64.14 H new ATOM 0 HE21 GLN A 16 -7.206 -1.617 -25.205 1.00 5.30 H new ATOM 0 HE22 GLN A 16 -8.667 -1.433 -24.230 1.00 5.30 H new ATOM 257 N CYS A 17 -1.704 -0.613 -22.940 1.00 3.32 N ATOM 258 CA CYS A 17 -0.935 0.223 -23.846 1.00 24.21 C ATOM 259 C CYS A 17 0.443 0.462 -23.225 1.00 61.52 C ATOM 260 O CYS A 17 1.462 0.088 -23.804 1.00 14.11 O ATOM 261 CB CYS A 17 -1.658 1.536 -24.154 1.00 30.04 C ATOM 262 SG CYS A 17 -3.483 1.447 -24.061 1.00 4.14 S ATOM 0 H CYS A 17 -1.593 -0.385 -21.952 1.00 3.32 H new ATOM 0 HA CYS A 17 -0.818 -0.284 -24.804 1.00 24.21 H new ATOM 0 HB2 CYS A 17 -1.309 2.298 -23.457 1.00 30.04 H new ATOM 0 HB3 CYS A 17 -1.375 1.865 -25.154 1.00 30.04 H new ATOM 0 HG CYS A 17 -3.989 2.612 -24.337 1.00 4.14 H new ATOM 267 N HIS A 18 0.430 1.086 -22.056 1.00 62.50 N ATOM 268 CA HIS A 18 1.666 1.381 -21.351 1.00 4.04 C ATOM 269 C HIS A 18 2.438 0.082 -21.105 1.00 22.22 C ATOM 270 O HIS A 18 1.874 -1.007 -21.199 1.00 62.34 O ATOM 271 CB HIS A 18 1.386 2.156 -20.063 1.00 40.31 C ATOM 272 CG HIS A 18 1.110 3.625 -20.278 1.00 54.33 C ATOM 273 ND1 HIS A 18 2.078 4.513 -20.713 1.00 50.21 N ATOM 274 CD2 HIS A 18 -0.034 4.351 -20.114 1.00 25.02 C ATOM 275 CE1 HIS A 18 1.532 5.716 -20.803 1.00 64.43 C ATOM 276 NE2 HIS A 18 0.223 5.615 -20.431 1.00 53.31 N ATOM 0 H HIS A 18 -0.417 1.395 -21.579 1.00 62.50 H new ATOM 0 HA HIS A 18 2.294 2.027 -21.965 1.00 4.04 H new ATOM 0 HB2 HIS A 18 0.531 1.706 -19.559 1.00 40.31 H new ATOM 0 HB3 HIS A 18 2.241 2.051 -19.395 1.00 40.31 H new ATOM 0 HD1 HIS A 18 3.048 4.280 -20.928 1.00 50.21 H new ATOM 0 HD2 HIS A 18 -0.986 3.964 -19.783 1.00 25.02 H new ATOM 0 HE1 HIS A 18 2.035 6.619 -21.116 1.00 64.43 H new ATOM 284 N THR A 19 3.717 0.242 -20.796 1.00 13.43 N ATOM 285 CA THR A 19 4.571 -0.904 -20.535 1.00 60.21 C ATOM 286 C THR A 19 5.802 -0.480 -19.731 1.00 32.10 C ATOM 287 O THR A 19 6.721 0.132 -20.272 1.00 32.41 O ATOM 288 CB THR A 19 4.918 -1.550 -21.879 1.00 74.25 C ATOM 289 OG1 THR A 19 5.138 -0.443 -22.749 1.00 32.15 O ATOM 290 CG2 THR A 19 3.728 -2.283 -22.501 1.00 61.22 C ATOM 0 H THR A 19 4.182 1.147 -20.721 1.00 13.43 H new ATOM 0 HA THR A 19 4.060 -1.646 -19.922 1.00 60.21 H new ATOM 0 HB THR A 19 5.744 -2.249 -21.744 1.00 74.25 H new ATOM 0 HG1 THR A 19 4.899 -0.695 -23.665 1.00 32.15 H new ATOM 0 HG21 THR A 19 4.028 -2.723 -23.452 1.00 61.22 H new ATOM 0 HG22 THR A 19 3.393 -3.071 -21.827 1.00 61.22 H new ATOM 0 HG23 THR A 19 2.913 -1.578 -22.668 1.00 61.22 H new ATOM 298 N VAL A 20 5.778 -0.822 -18.450 1.00 73.30 N ATOM 299 CA VAL A 20 6.879 -0.483 -17.566 1.00 62.41 C ATOM 300 C VAL A 20 8.127 -1.261 -17.990 1.00 42.31 C ATOM 301 O VAL A 20 9.226 -0.985 -17.514 1.00 23.32 O ATOM 302 CB VAL A 20 6.480 -0.743 -16.111 1.00 73.02 C ATOM 303 CG1 VAL A 20 5.251 0.082 -15.725 1.00 11.15 C ATOM 304 CG2 VAL A 20 6.239 -2.233 -15.866 1.00 54.03 C ATOM 0 H VAL A 20 5.014 -1.330 -18.005 1.00 73.30 H new ATOM 0 HA VAL A 20 7.116 0.578 -17.641 1.00 62.41 H new ATOM 0 HB VAL A 20 7.308 -0.429 -15.475 1.00 73.02 H new ATOM 0 HG11 VAL A 20 4.988 -0.121 -14.687 1.00 11.15 H new ATOM 0 HG12 VAL A 20 5.473 1.143 -15.842 1.00 11.15 H new ATOM 0 HG13 VAL A 20 4.415 -0.187 -16.370 1.00 11.15 H new ATOM 0 HG21 VAL A 20 5.957 -2.390 -14.825 1.00 54.03 H new ATOM 0 HG22 VAL A 20 5.437 -2.584 -16.516 1.00 54.03 H new ATOM 0 HG23 VAL A 20 7.151 -2.789 -16.083 1.00 54.03 H new ATOM 314 N GLU A 21 7.913 -2.218 -18.882 1.00 2.20 N ATOM 315 CA GLU A 21 9.006 -3.037 -19.376 1.00 22.52 C ATOM 316 C GLU A 21 9.747 -2.312 -20.502 1.00 34.35 C ATOM 317 O GLU A 21 9.174 -2.054 -21.560 1.00 52.54 O ATOM 318 CB GLU A 21 8.500 -4.403 -19.843 1.00 61.35 C ATOM 319 CG GLU A 21 7.292 -4.252 -20.770 1.00 1.24 C ATOM 320 CD GLU A 21 7.146 -5.470 -21.685 1.00 73.45 C ATOM 321 OE1 GLU A 21 7.777 -5.523 -22.751 1.00 31.11 O ATOM 322 OE2 GLU A 21 6.346 -6.384 -21.252 1.00 44.15 O1- ATOM 0 H GLU A 21 6.999 -2.444 -19.275 1.00 2.20 H new ATOM 0 HA GLU A 21 9.706 -3.206 -18.558 1.00 22.52 H new ATOM 0 HB2 GLU A 21 9.298 -4.932 -20.363 1.00 61.35 H new ATOM 0 HB3 GLU A 21 8.227 -5.008 -18.979 1.00 61.35 H new ATOM 0 HG2 GLU A 21 6.387 -4.129 -20.176 1.00 1.24 H new ATOM 0 HG3 GLU A 21 7.403 -3.351 -21.373 1.00 1.24 H new ATOM 330 N LYS A 22 11.007 -2.004 -20.235 1.00 34.22 N ATOM 331 CA LYS A 22 11.831 -1.313 -21.213 1.00 44.40 C ATOM 332 C LYS A 22 11.662 -1.982 -22.579 1.00 4.32 C ATOM 333 O LYS A 22 11.878 -3.185 -22.717 1.00 2.32 O ATOM 334 CB LYS A 22 13.284 -1.246 -20.737 1.00 74.13 C ATOM 335 CG LYS A 22 14.244 -1.135 -21.922 1.00 50.22 C ATOM 336 CD LYS A 22 13.984 0.143 -22.722 1.00 63.22 C ATOM 337 CE LYS A 22 15.289 0.714 -23.282 1.00 63.42 C ATOM 338 NZ LYS A 22 15.180 2.180 -23.454 1.00 43.00 N1+ ATOM 0 H LYS A 22 11.478 -2.220 -19.356 1.00 34.22 H new ATOM 0 HA LYS A 22 11.507 -0.278 -21.322 1.00 44.40 H new ATOM 0 HB2 LYS A 22 13.415 -0.389 -20.077 1.00 74.13 H new ATOM 0 HB3 LYS A 22 13.521 -2.136 -20.154 1.00 74.13 H new ATOM 0 HG2 LYS A 22 15.273 -1.140 -21.562 1.00 50.22 H new ATOM 0 HG3 LYS A 22 14.129 -2.004 -22.570 1.00 50.22 H new ATOM 0 HD2 LYS A 22 13.295 -0.069 -23.540 1.00 63.22 H new ATOM 0 HD3 LYS A 22 13.503 0.884 -22.084 1.00 63.22 H new ATOM 0 HE2 LYS A 22 16.114 0.481 -22.608 1.00 63.42 H new ATOM 0 HE3 LYS A 22 15.517 0.245 -24.239 1.00 63.42 H new ATOM 0 HZ1 LYS A 22 15.936 2.512 -24.087 1.00 43.00 H new ATOM 0 HZ2 LYS A 22 14.255 2.413 -23.867 1.00 43.00 H new ATOM 0 HZ3 LYS A 22 15.273 2.646 -22.529 1.00 43.00 H new ATOM 351 N GLY A 23 11.277 -1.172 -23.554 1.00 52.14 N ATOM 352 CA GLY A 23 11.076 -1.669 -24.905 1.00 30.32 C ATOM 353 C GLY A 23 9.609 -1.549 -25.321 1.00 2.14 C ATOM 354 O GLY A 23 9.224 -2.014 -26.393 1.00 23.14 O ATOM 0 H GLY A 23 11.099 -0.175 -23.436 1.00 52.14 H new ATOM 0 HA2 GLY A 23 11.702 -1.108 -25.599 1.00 30.32 H new ATOM 0 HA3 GLY A 23 11.390 -2.711 -24.963 1.00 30.32 H new ATOM 358 N GLY A 24 8.830 -0.922 -24.453 1.00 32.53 N ATOM 359 CA GLY A 24 7.414 -0.734 -24.717 1.00 33.34 C ATOM 360 C GLY A 24 7.182 -0.254 -26.151 1.00 72.53 C ATOM 361 O GLY A 24 8.132 0.070 -26.862 1.00 13.20 O ATOM 0 H GLY A 24 9.153 -0.537 -23.565 1.00 32.53 H new ATOM 0 HA2 GLY A 24 6.882 -1.671 -24.553 1.00 33.34 H new ATOM 0 HA3 GLY A 24 7.003 -0.008 -24.016 1.00 33.34 H new ATOM 365 N LYS A 25 5.914 -0.223 -26.533 1.00 11.42 N ATOM 366 CA LYS A 25 5.545 0.212 -27.870 1.00 2.02 C ATOM 367 C LYS A 25 4.663 1.458 -27.771 1.00 31.52 C ATOM 368 O LYS A 25 3.981 1.661 -26.767 1.00 72.44 O ATOM 369 CB LYS A 25 4.903 -0.938 -28.650 1.00 24.30 C ATOM 370 CG LYS A 25 5.757 -2.204 -28.562 1.00 22.43 C ATOM 371 CD LYS A 25 6.632 -2.362 -29.808 1.00 53.42 C ATOM 372 CE LYS A 25 6.896 -3.838 -30.110 1.00 11.53 C ATOM 373 NZ LYS A 25 5.685 -4.476 -30.674 1.00 63.31 N1+ ATOM 0 H LYS A 25 5.129 -0.492 -25.940 1.00 11.42 H new ATOM 0 HA LYS A 25 6.432 0.494 -28.438 1.00 2.02 H new ATOM 0 HB2 LYS A 25 3.907 -1.139 -28.255 1.00 24.30 H new ATOM 0 HB3 LYS A 25 4.780 -0.650 -29.694 1.00 24.30 H new ATOM 0 HG2 LYS A 25 6.387 -2.161 -27.674 1.00 22.43 H new ATOM 0 HG3 LYS A 25 5.112 -3.076 -28.453 1.00 22.43 H new ATOM 0 HD2 LYS A 25 6.142 -1.895 -30.662 1.00 53.42 H new ATOM 0 HD3 LYS A 25 7.579 -1.843 -29.660 1.00 53.42 H new ATOM 0 HE2 LYS A 25 7.724 -3.929 -30.814 1.00 11.53 H new ATOM 0 HE3 LYS A 25 7.195 -4.354 -29.198 1.00 11.53 H new ATOM 0 HZ1 LYS A 25 5.949 -5.362 -31.149 1.00 63.31 H new ATOM 0 HZ2 LYS A 25 5.012 -4.681 -29.908 1.00 63.31 H new ATOM 0 HZ3 LYS A 25 5.242 -3.833 -31.361 1.00 63.31 H new ATOM 386 N HIS A 26 4.703 2.258 -28.826 1.00 25.51 N ATOM 387 CA HIS A 26 3.916 3.478 -28.871 1.00 74.44 C ATOM 388 C HIS A 26 2.565 3.192 -29.531 1.00 45.22 C ATOM 389 O HIS A 26 1.965 4.082 -30.134 1.00 2.22 O ATOM 390 CB HIS A 26 4.690 4.600 -29.566 1.00 11.11 C ATOM 391 CG HIS A 26 5.699 5.290 -28.679 1.00 12.42 C ATOM 392 ND1 HIS A 26 5.860 4.976 -27.341 1.00 62.23 N ATOM 393 CD2 HIS A 26 6.597 6.280 -28.953 1.00 45.21 C ATOM 394 CE1 HIS A 26 6.813 5.749 -26.841 1.00 75.04 C ATOM 395 NE2 HIS A 26 7.268 6.556 -27.841 1.00 43.14 N ATOM 0 H HIS A 26 5.269 2.085 -29.657 1.00 25.51 H new ATOM 0 HA HIS A 26 3.720 3.826 -27.857 1.00 74.44 H new ATOM 0 HB2 HIS A 26 5.205 4.189 -30.434 1.00 11.11 H new ATOM 0 HB3 HIS A 26 3.982 5.340 -29.938 1.00 11.11 H new ATOM 0 HD2 HIS A 26 6.738 6.758 -29.911 1.00 45.21 H new ATOM 0 HE1 HIS A 26 7.167 5.741 -25.821 1.00 75.04 H new ATOM 0 HE2 HIS A 26 8.003 7.257 -27.750 1.00 43.14 H new ATOM 403 N LYS A 27 2.127 1.950 -29.395 1.00 44.03 N ATOM 404 CA LYS A 27 0.858 1.537 -29.971 1.00 53.42 C ATOM 405 C LYS A 27 -0.209 2.585 -29.649 1.00 34.44 C ATOM 406 O LYS A 27 -0.577 3.384 -30.508 1.00 33.44 O ATOM 407 CB LYS A 27 0.494 0.125 -29.506 1.00 74.10 C ATOM 408 CG LYS A 27 -0.287 -0.624 -30.589 1.00 42.43 C ATOM 409 CD LYS A 27 0.633 -1.550 -31.387 1.00 54.03 C ATOM 410 CE LYS A 27 1.137 -2.704 -30.518 1.00 14.52 C ATOM 411 NZ LYS A 27 2.496 -3.112 -30.936 1.00 5.14 N1+ ATOM 0 H LYS A 27 2.628 1.216 -28.895 1.00 44.03 H new ATOM 0 HA LYS A 27 0.932 1.481 -31.057 1.00 53.42 H new ATOM 0 HB2 LYS A 27 1.402 -0.426 -29.260 1.00 74.10 H new ATOM 0 HB3 LYS A 27 -0.102 0.180 -28.595 1.00 74.10 H new ATOM 0 HG2 LYS A 27 -1.085 -1.207 -30.129 1.00 42.43 H new ATOM 0 HG3 LYS A 27 -0.761 0.091 -31.261 1.00 42.43 H new ATOM 0 HD2 LYS A 27 0.097 -1.947 -32.249 1.00 54.03 H new ATOM 0 HD3 LYS A 27 1.481 -0.983 -31.772 1.00 54.03 H new ATOM 0 HE2 LYS A 27 1.148 -2.401 -29.471 1.00 14.52 H new ATOM 0 HE3 LYS A 27 0.456 -3.551 -30.597 1.00 14.52 H new ATOM 0 HZ1 LYS A 27 2.823 -3.896 -30.336 1.00 5.14 H new ATOM 0 HZ2 LYS A 27 2.476 -3.421 -31.929 1.00 5.14 H new ATOM 0 HZ3 LYS A 27 3.146 -2.306 -30.837 1.00 5.14 H new ATOM 424 N THR A 28 -0.674 2.547 -28.409 1.00 74.51 N ATOM 425 CA THR A 28 -1.692 3.483 -27.963 1.00 2.42 C ATOM 426 C THR A 28 -1.136 4.391 -26.864 1.00 41.14 C ATOM 427 O THR A 28 -1.521 5.554 -26.762 1.00 32.05 O ATOM 428 CB THR A 28 -2.916 2.677 -27.524 1.00 52.12 C ATOM 429 OG1 THR A 28 -3.088 1.715 -28.561 1.00 43.31 O ATOM 430 CG2 THR A 28 -4.205 3.501 -27.564 1.00 32.01 C ATOM 0 H THR A 28 -0.365 1.883 -27.699 1.00 74.51 H new ATOM 0 HA THR A 28 -1.997 4.150 -28.769 1.00 2.42 H new ATOM 0 HB THR A 28 -2.758 2.298 -26.514 1.00 52.12 H new ATOM 0 HG1 THR A 28 -3.860 1.148 -28.356 1.00 43.31 H new ATOM 0 HG21 THR A 28 -5.043 2.882 -27.243 1.00 32.01 H new ATOM 0 HG22 THR A 28 -4.110 4.357 -26.896 1.00 32.01 H new ATOM 0 HG23 THR A 28 -4.381 3.852 -28.581 1.00 32.01 H new ATOM 438 N GLY A 29 -0.240 3.824 -26.070 1.00 64.54 N ATOM 439 CA GLY A 29 0.373 4.567 -24.982 1.00 55.30 C ATOM 440 C GLY A 29 1.899 4.555 -25.101 1.00 1.42 C ATOM 441 O GLY A 29 2.477 3.603 -25.623 1.00 41.14 O ATOM 0 H GLY A 29 0.076 2.858 -26.158 1.00 64.54 H new ATOM 0 HA2 GLY A 29 0.012 5.595 -24.991 1.00 55.30 H new ATOM 0 HA3 GLY A 29 0.076 4.133 -24.027 1.00 55.30 H new ATOM 445 N PRO A 30 2.523 5.653 -24.595 1.00 74.54 N ATOM 446 CA PRO A 30 3.970 5.778 -24.639 1.00 74.11 C ATOM 447 C PRO A 30 4.630 4.876 -23.593 1.00 24.32 C ATOM 448 O PRO A 30 4.189 4.825 -22.447 1.00 24.23 O ATOM 449 CB PRO A 30 4.245 7.255 -24.410 1.00 41.30 C ATOM 450 CG PRO A 30 2.979 7.822 -23.785 1.00 54.01 C ATOM 451 CD PRO A 30 1.870 6.799 -23.970 1.00 12.13 C ATOM 0 HA PRO A 30 4.392 5.452 -25.590 1.00 74.11 H new ATOM 0 HB2 PRO A 30 5.102 7.395 -23.752 1.00 41.30 H new ATOM 0 HB3 PRO A 30 4.477 7.759 -25.348 1.00 41.30 H new ATOM 0 HG2 PRO A 30 3.135 8.028 -22.726 1.00 54.01 H new ATOM 0 HG3 PRO A 30 2.710 8.767 -24.258 1.00 54.01 H new ATOM 0 HD2 PRO A 30 1.420 6.526 -23.016 1.00 12.13 H new ATOM 0 HD3 PRO A 30 1.071 7.191 -24.599 1.00 12.13 H new ATOM 459 N ASN A 31 5.677 4.189 -24.027 1.00 21.33 N ATOM 460 CA ASN A 31 6.403 3.294 -23.142 1.00 33.24 C ATOM 461 C ASN A 31 6.894 4.076 -21.922 1.00 11.33 C ATOM 462 O ASN A 31 7.528 5.120 -22.065 1.00 70.42 O ATOM 463 CB ASN A 31 7.624 2.697 -23.845 1.00 44.34 C ATOM 464 CG ASN A 31 8.604 2.105 -22.830 1.00 45.33 C ATOM 465 OD1 ASN A 31 9.743 2.526 -22.711 1.00 35.40 O ATOM 466 ND2 ASN A 31 8.100 1.108 -22.108 1.00 71.13 N ATOM 0 H ASN A 31 6.040 4.234 -24.979 1.00 21.33 H new ATOM 0 HA ASN A 31 5.728 2.491 -22.846 1.00 33.24 H new ATOM 0 HB2 ASN A 31 7.304 1.922 -24.542 1.00 44.34 H new ATOM 0 HB3 ASN A 31 8.124 3.468 -24.432 1.00 44.34 H new ATOM 0 HD21 ASN A 31 8.676 0.647 -21.404 1.00 71.13 H new ATOM 0 HD22 ASN A 31 7.138 0.805 -22.259 1.00 71.13 H new ATOM 473 N LEU A 32 6.582 3.541 -20.752 1.00 25.52 N ATOM 474 CA LEU A 32 6.983 4.175 -19.508 1.00 3.12 C ATOM 475 C LEU A 32 8.472 3.918 -19.267 1.00 43.31 C ATOM 476 O LEU A 32 9.316 4.729 -19.647 1.00 21.41 O ATOM 477 CB LEU A 32 6.086 3.716 -18.358 1.00 53.22 C ATOM 478 CG LEU A 32 4.618 4.140 -18.441 1.00 2.33 C ATOM 479 CD1 LEU A 32 3.931 4.006 -17.081 1.00 33.31 C ATOM 480 CD2 LEU A 32 4.488 5.553 -19.013 1.00 64.04 C ATOM 0 H LEU A 32 6.056 2.675 -20.639 1.00 25.52 H new ATOM 0 HA LEU A 32 6.851 5.255 -19.572 1.00 3.12 H new ATOM 0 HB2 LEU A 32 6.127 2.628 -18.304 1.00 53.22 H new ATOM 0 HB3 LEU A 32 6.501 4.097 -17.425 1.00 53.22 H new ATOM 0 HG LEU A 32 4.105 3.466 -19.128 1.00 2.33 H new ATOM 0 HD11 LEU A 32 2.889 4.314 -17.168 1.00 33.31 H new ATOM 0 HD12 LEU A 32 3.977 2.968 -16.751 1.00 33.31 H new ATOM 0 HD13 LEU A 32 4.437 4.641 -16.354 1.00 33.31 H new ATOM 0 HD21 LEU A 32 3.435 5.830 -19.062 1.00 64.04 H new ATOM 0 HD22 LEU A 32 5.019 6.256 -18.371 1.00 64.04 H new ATOM 0 HD23 LEU A 32 4.917 5.581 -20.015 1.00 64.04 H new ATOM 492 N HIS A 33 8.750 2.787 -18.637 1.00 23.30 N ATOM 493 CA HIS A 33 10.123 2.412 -18.341 1.00 74.15 C ATOM 494 C HIS A 33 10.835 3.577 -17.648 1.00 20.01 C ATOM 495 O HIS A 33 11.867 4.047 -18.122 1.00 41.10 O ATOM 496 CB HIS A 33 10.844 1.945 -19.606 1.00 31.34 C ATOM 497 CG HIS A 33 12.346 1.879 -19.469 1.00 51.32 C ATOM 498 ND1 HIS A 33 13.210 2.424 -20.403 1.00 11.24 N ATOM 499 CD2 HIS A 33 13.128 1.327 -18.497 1.00 72.42 C ATOM 500 CE1 HIS A 33 14.453 2.204 -20.002 1.00 33.45 C ATOM 501 NE2 HIS A 33 14.400 1.523 -18.821 1.00 33.01 N ATOM 0 H HIS A 33 8.048 2.117 -18.323 1.00 23.30 H new ATOM 0 HA HIS A 33 10.132 1.565 -17.655 1.00 74.15 H new ATOM 0 HB2 HIS A 33 10.471 0.958 -19.881 1.00 31.34 H new ATOM 0 HB3 HIS A 33 10.594 2.620 -20.424 1.00 31.34 H new ATOM 0 HD2 HIS A 33 12.772 0.817 -17.614 1.00 72.42 H new ATOM 0 HE1 HIS A 33 15.351 2.510 -20.519 1.00 33.45 H new ATOM 0 HE2 HIS A 33 15.206 1.215 -18.276 1.00 33.01 H new ATOM 509 N GLY A 34 10.253 4.007 -16.538 1.00 13.14 N ATOM 510 CA GLY A 34 10.819 5.107 -15.775 1.00 20.04 C ATOM 511 C GLY A 34 10.190 6.440 -16.188 1.00 32.42 C ATOM 512 O GLY A 34 10.747 7.165 -17.011 1.00 44.34 O ATOM 0 H GLY A 34 9.396 3.614 -16.149 1.00 13.14 H new ATOM 0 HA2 GLY A 34 10.656 4.938 -14.711 1.00 20.04 H new ATOM 0 HA3 GLY A 34 11.897 5.146 -15.930 1.00 20.04 H new ATOM 516 N LEU A 35 9.038 6.722 -15.597 1.00 32.24 N ATOM 517 CA LEU A 35 8.327 7.954 -15.892 1.00 31.25 C ATOM 518 C LEU A 35 8.577 8.963 -14.769 1.00 52.04 C ATOM 519 O LEU A 35 8.403 10.166 -14.960 1.00 22.11 O ATOM 520 CB LEU A 35 6.845 7.671 -16.147 1.00 41.23 C ATOM 521 CG LEU A 35 5.906 8.874 -16.044 1.00 31.03 C ATOM 522 CD1 LEU A 35 5.826 9.623 -17.376 1.00 5.42 C ATOM 523 CD2 LEU A 35 4.524 8.448 -15.542 1.00 1.05 C ATOM 0 H LEU A 35 8.579 6.118 -14.915 1.00 32.24 H new ATOM 0 HA LEU A 35 8.704 8.400 -16.812 1.00 31.25 H new ATOM 0 HB2 LEU A 35 6.744 7.240 -17.143 1.00 41.23 H new ATOM 0 HB3 LEU A 35 6.513 6.914 -15.437 1.00 41.23 H new ATOM 0 HG LEU A 35 6.317 9.567 -15.310 1.00 31.03 H new ATOM 0 HD11 LEU A 35 5.152 10.474 -17.275 1.00 5.42 H new ATOM 0 HD12 LEU A 35 6.818 9.977 -17.654 1.00 5.42 H new ATOM 0 HD13 LEU A 35 5.451 8.952 -18.149 1.00 5.42 H new ATOM 0 HD21 LEU A 35 3.875 9.321 -15.478 1.00 1.05 H new ATOM 0 HD22 LEU A 35 4.092 7.725 -16.235 1.00 1.05 H new ATOM 0 HD23 LEU A 35 4.619 7.993 -14.556 1.00 1.05 H new ATOM 535 N PHE A 36 8.979 8.437 -13.623 1.00 20.52 N ATOM 536 CA PHE A 36 9.255 9.276 -12.468 1.00 73.41 C ATOM 537 C PHE A 36 10.672 9.850 -12.533 1.00 62.01 C ATOM 538 O PHE A 36 11.648 9.101 -12.566 1.00 45.32 O ATOM 539 CB PHE A 36 9.133 8.386 -11.230 1.00 3.55 C ATOM 540 CG PHE A 36 7.722 7.846 -10.988 1.00 31.21 C ATOM 541 CD1 PHE A 36 7.269 6.782 -11.705 1.00 21.25 C ATOM 542 CD2 PHE A 36 6.921 8.428 -10.056 1.00 55.31 C ATOM 543 CE1 PHE A 36 5.960 6.281 -11.481 1.00 11.12 C ATOM 544 CE2 PHE A 36 5.612 7.926 -9.832 1.00 43.54 C ATOM 545 CZ PHE A 36 5.159 6.863 -10.549 1.00 24.50 C ATOM 0 H PHE A 36 9.121 7.439 -13.468 1.00 20.52 H new ATOM 0 HA PHE A 36 8.555 10.111 -12.439 1.00 73.41 H new ATOM 0 HB2 PHE A 36 9.820 7.546 -11.330 1.00 3.55 H new ATOM 0 HB3 PHE A 36 9.449 8.954 -10.355 1.00 3.55 H new ATOM 0 HD1 PHE A 36 7.905 6.319 -12.444 1.00 21.25 H new ATOM 0 HD2 PHE A 36 7.281 9.272 -9.486 1.00 55.31 H new ATOM 0 HE1 PHE A 36 5.600 5.437 -12.051 1.00 11.12 H new ATOM 0 HE2 PHE A 36 4.976 8.389 -9.092 1.00 43.54 H new ATOM 0 HZ PHE A 36 4.163 6.481 -10.378 1.00 24.50 H new ATOM 555 N GLY A 37 10.740 11.172 -12.548 1.00 72.03 N ATOM 556 CA GLY A 37 12.021 11.854 -12.608 1.00 54.23 C ATOM 557 C GLY A 37 12.267 12.440 -14.000 1.00 11.10 C ATOM 558 O GLY A 37 13.380 12.857 -14.314 1.00 34.13 O ATOM 0 H GLY A 37 9.929 11.790 -12.520 1.00 72.03 H new ATOM 0 HA2 GLY A 37 12.048 12.651 -11.864 1.00 54.23 H new ATOM 0 HA3 GLY A 37 12.820 11.157 -12.357 1.00 54.23 H new ATOM 562 N ARG A 38 11.210 12.450 -14.798 1.00 20.32 N ATOM 563 CA ARG A 38 11.296 12.977 -16.149 1.00 21.31 C ATOM 564 C ARG A 38 10.022 13.747 -16.502 1.00 12.13 C ATOM 565 O ARG A 38 8.928 13.370 -16.082 1.00 64.01 O ATOM 566 CB ARG A 38 11.502 11.852 -17.165 1.00 72.11 C ATOM 567 CG ARG A 38 10.239 11.000 -17.304 1.00 4.21 C ATOM 568 CD ARG A 38 10.368 10.013 -18.466 1.00 70.22 C ATOM 569 NE ARG A 38 9.025 9.654 -18.976 1.00 24.34 N ATOM 570 CZ ARG A 38 8.791 8.652 -19.850 1.00 4.41 C ATOM 571 NH1 ARG A 38 9.809 7.900 -20.319 1.00 32.22 N ATOM 572 NH2 ARG A 38 7.552 8.419 -20.239 1.00 41.32 N1+ ATOM 0 H ARG A 38 10.288 12.101 -14.535 1.00 20.32 H new ATOM 0 HA ARG A 38 12.153 13.650 -16.189 1.00 21.31 H new ATOM 0 HB2 ARG A 38 11.767 12.276 -18.133 1.00 72.11 H new ATOM 0 HB3 ARG A 38 12.336 11.224 -16.853 1.00 72.11 H new ATOM 0 HG2 ARG A 38 10.060 10.455 -16.377 1.00 4.21 H new ATOM 0 HG3 ARG A 38 9.376 11.646 -17.465 1.00 4.21 H new ATOM 0 HD2 ARG A 38 10.963 10.455 -19.265 1.00 70.22 H new ATOM 0 HD3 ARG A 38 10.893 9.116 -18.136 1.00 70.22 H new ATOM 0 HE ARG A 38 8.227 10.197 -18.647 1.00 24.34 H new ATOM 0 HH11 ARG A 38 10.764 8.087 -20.013 1.00 32.22 H new ATOM 0 HH12 ARG A 38 9.623 7.145 -20.979 1.00 32.22 H new ATOM 0 HH21 ARG A 38 6.788 8.992 -19.880 1.00 41.32 H new ATOM 0 HH22 ARG A 38 7.358 7.666 -20.899 1.00 41.32 H new ATOM 585 N LYS A 39 10.205 14.811 -17.269 1.00 13.22 N ATOM 586 CA LYS A 39 9.084 15.638 -17.682 1.00 74.33 C ATOM 587 C LYS A 39 8.209 14.850 -18.660 1.00 3.51 C ATOM 588 O LYS A 39 8.469 13.678 -18.926 1.00 62.53 O ATOM 589 CB LYS A 39 9.579 16.974 -18.239 1.00 1.41 C ATOM 590 CG LYS A 39 10.089 17.881 -17.117 1.00 54.01 C ATOM 591 CD LYS A 39 10.942 19.020 -17.677 1.00 44.05 C ATOM 592 CE LYS A 39 11.592 19.824 -16.549 1.00 41.14 C ATOM 593 NZ LYS A 39 10.568 20.577 -15.793 1.00 34.23 N1+ ATOM 0 H LYS A 39 11.113 15.120 -17.616 1.00 13.22 H new ATOM 0 HA LYS A 39 8.460 15.889 -16.825 1.00 74.33 H new ATOM 0 HB2 LYS A 39 10.377 16.798 -18.960 1.00 1.41 H new ATOM 0 HB3 LYS A 39 8.770 17.471 -18.774 1.00 1.41 H new ATOM 0 HG2 LYS A 39 9.244 18.292 -16.565 1.00 54.01 H new ATOM 0 HG3 LYS A 39 10.677 17.295 -16.410 1.00 54.01 H new ATOM 0 HD2 LYS A 39 11.714 18.614 -18.330 1.00 44.05 H new ATOM 0 HD3 LYS A 39 10.322 19.677 -18.287 1.00 44.05 H new ATOM 0 HE2 LYS A 39 12.128 19.153 -15.878 1.00 41.14 H new ATOM 0 HE3 LYS A 39 12.327 20.514 -16.963 1.00 41.14 H new ATOM 0 HZ1 LYS A 39 10.724 21.597 -15.919 1.00 34.23 H new ATOM 0 HZ2 LYS A 39 9.622 20.325 -16.144 1.00 34.23 H new ATOM 0 HZ3 LYS A 39 10.637 20.338 -14.783 1.00 34.23 H new ATOM 606 N THR A 40 7.190 15.526 -19.169 1.00 65.31 N ATOM 607 CA THR A 40 6.276 14.905 -20.112 1.00 31.43 C ATOM 608 C THR A 40 6.659 15.270 -21.546 1.00 44.43 C ATOM 609 O THR A 40 7.347 16.265 -21.775 1.00 33.44 O ATOM 610 CB THR A 40 4.853 15.326 -19.737 1.00 11.21 C ATOM 611 OG1 THR A 40 4.747 16.661 -20.223 1.00 13.44 O ATOM 612 CG2 THR A 40 4.661 15.462 -18.225 1.00 70.11 C ATOM 0 H THR A 40 6.977 16.498 -18.946 1.00 65.31 H new ATOM 0 HA THR A 40 6.334 13.818 -20.061 1.00 31.43 H new ATOM 0 HB THR A 40 4.144 14.596 -20.128 1.00 11.21 H new ATOM 0 HG1 THR A 40 3.801 16.900 -20.320 1.00 13.44 H new ATOM 0 HG21 THR A 40 3.635 15.762 -18.014 1.00 70.11 H new ATOM 0 HG22 THR A 40 4.865 14.505 -17.745 1.00 70.11 H new ATOM 0 HG23 THR A 40 5.347 16.216 -17.838 1.00 70.11 H new ATOM 620 N GLY A 41 6.198 14.447 -22.476 1.00 74.22 N ATOM 621 CA GLY A 41 6.485 14.670 -23.884 1.00 71.51 C ATOM 622 C GLY A 41 7.945 14.344 -24.204 1.00 41.34 C ATOM 623 O GLY A 41 8.578 15.035 -25.002 1.00 43.02 O ATOM 0 H GLY A 41 5.627 13.624 -22.283 1.00 74.22 H new ATOM 0 HA2 GLY A 41 5.828 14.051 -24.495 1.00 71.51 H new ATOM 0 HA3 GLY A 41 6.276 15.708 -24.142 1.00 71.51 H new ATOM 627 N GLN A 42 8.437 13.293 -23.567 1.00 44.12 N ATOM 628 CA GLN A 42 9.810 12.867 -23.775 1.00 73.11 C ATOM 629 C GLN A 42 9.870 11.758 -24.827 1.00 50.22 C ATOM 630 O GLN A 42 10.771 11.738 -25.663 1.00 50.14 O ATOM 631 CB GLN A 42 10.447 12.410 -22.460 1.00 52.53 C ATOM 632 CG GLN A 42 10.585 13.578 -21.482 1.00 41.42 C ATOM 633 CD GLN A 42 11.239 14.786 -22.158 1.00 13.22 C ATOM 634 OE1 GLN A 42 10.376 15.617 -22.734 1.00 42.03 O flip ATOM 635 NE2 GLN A 42 12.448 14.950 -22.157 1.00 33.53 N flip ATOM 0 H GLN A 42 7.909 12.723 -22.906 1.00 44.12 H new ATOM 0 HA GLN A 42 10.382 13.719 -24.142 1.00 73.11 H new ATOM 0 HB2 GLN A 42 9.839 11.625 -22.011 1.00 52.53 H new ATOM 0 HB3 GLN A 42 11.428 11.979 -22.658 1.00 52.53 H new ATOM 0 HG2 GLN A 42 9.602 13.857 -21.103 1.00 41.42 H new ATOM 0 HG3 GLN A 42 11.182 13.270 -20.624 1.00 41.42 H new ATOM 0 HE21 GLN A 42 13.054 14.272 -21.695 1.00 33.53 H new ATOM 0 HE22 GLN A 42 12.852 15.765 -22.618 1.00 33.53 H new ATOM 644 N ALA A 43 8.896 10.862 -24.752 1.00 21.43 N ATOM 645 CA ALA A 43 8.825 9.753 -25.688 1.00 13.43 C ATOM 646 C ALA A 43 9.191 10.250 -27.088 1.00 25.42 C ATOM 647 O ALA A 43 8.368 10.859 -27.769 1.00 21.44 O ATOM 648 CB ALA A 43 7.430 9.129 -25.635 1.00 52.04 C ATOM 0 H ALA A 43 8.150 10.882 -24.057 1.00 21.43 H new ATOM 0 HA ALA A 43 9.539 8.975 -25.418 1.00 13.43 H new ATOM 0 HB1 ALA A 43 7.377 8.297 -26.337 1.00 52.04 H new ATOM 0 HB2 ALA A 43 7.232 8.766 -24.627 1.00 52.04 H new ATOM 0 HB3 ALA A 43 6.686 9.879 -25.903 1.00 52.04 H new ATOM 654 N PRO A 44 10.459 9.960 -27.488 1.00 54.23 N ATOM 655 CA PRO A 44 10.943 10.371 -28.795 1.00 32.32 C ATOM 656 C PRO A 44 10.357 9.488 -29.898 1.00 45.34 C ATOM 657 O PRO A 44 10.012 8.332 -29.656 1.00 73.41 O ATOM 658 CB PRO A 44 12.457 10.278 -28.700 1.00 53.35 C ATOM 659 CG PRO A 44 12.746 9.381 -27.508 1.00 23.34 C ATOM 660 CD PRO A 44 11.461 9.240 -26.709 1.00 50.12 C ATOM 0 HA PRO A 44 10.636 11.383 -29.060 1.00 32.32 H new ATOM 0 HB2 PRO A 44 12.881 9.862 -29.614 1.00 53.35 H new ATOM 0 HB3 PRO A 44 12.901 11.264 -28.563 1.00 53.35 H new ATOM 0 HG2 PRO A 44 13.097 8.405 -27.841 1.00 23.34 H new ATOM 0 HG3 PRO A 44 13.535 9.810 -26.890 1.00 23.34 H new ATOM 0 HD2 PRO A 44 11.187 8.193 -26.582 1.00 50.12 H new ATOM 0 HD3 PRO A 44 11.567 9.665 -25.711 1.00 50.12 H new ATOM 668 N GLY A 45 10.263 10.065 -31.086 1.00 22.12 N ATOM 669 CA GLY A 45 9.725 9.345 -32.228 1.00 73.44 C ATOM 670 C GLY A 45 8.278 8.920 -31.976 1.00 55.25 C ATOM 671 O GLY A 45 7.774 8.003 -32.624 1.00 72.31 O ATOM 0 H GLY A 45 10.550 11.024 -31.283 1.00 22.12 H new ATOM 0 HA2 GLY A 45 9.773 9.976 -33.116 1.00 73.44 H new ATOM 0 HA3 GLY A 45 10.336 8.465 -32.429 1.00 73.44 H new ATOM 675 N TYR A 46 7.649 9.605 -31.032 1.00 11.53 N ATOM 676 CA TYR A 46 6.269 9.310 -30.686 1.00 1.24 C ATOM 677 C TYR A 46 5.329 10.403 -31.198 1.00 3.31 C ATOM 678 O TYR A 46 5.782 11.452 -31.655 1.00 11.32 O ATOM 679 CB TYR A 46 6.214 9.281 -29.158 1.00 41.13 C ATOM 680 CG TYR A 46 4.884 8.782 -28.592 1.00 1.24 C ATOM 681 CD1 TYR A 46 4.257 7.692 -29.162 1.00 44.14 C ATOM 682 CD2 TYR A 46 4.310 9.420 -27.512 1.00 52.02 C ATOM 683 CE1 TYR A 46 3.005 7.221 -28.629 1.00 65.11 C ATOM 684 CE2 TYR A 46 3.058 8.950 -26.979 1.00 32.21 C ATOM 685 CZ TYR A 46 2.467 7.874 -27.563 1.00 34.24 C ATOM 686 OH TYR A 46 1.285 7.430 -27.060 1.00 1.12 O ATOM 0 H TYR A 46 8.070 10.364 -30.496 1.00 11.53 H new ATOM 0 HA TYR A 46 5.955 8.367 -31.133 1.00 1.24 H new ATOM 0 HB2 TYR A 46 7.017 8.643 -28.788 1.00 41.13 H new ATOM 0 HB3 TYR A 46 6.404 10.285 -28.779 1.00 41.13 H new ATOM 0 HD1 TYR A 46 4.706 7.192 -30.008 1.00 44.14 H new ATOM 0 HD2 TYR A 46 4.800 10.273 -27.066 1.00 52.02 H new ATOM 0 HE1 TYR A 46 2.504 6.369 -29.065 1.00 65.11 H new ATOM 0 HE2 TYR A 46 2.599 9.441 -26.134 1.00 32.21 H new ATOM 0 HH TYR A 46 1.210 6.464 -27.205 1.00 1.12 H new ATOM 696 N SER A 47 4.038 10.121 -31.106 1.00 12.14 N ATOM 697 CA SER A 47 3.031 11.067 -31.554 1.00 63.25 C ATOM 698 C SER A 47 2.105 11.435 -30.392 1.00 53.23 C ATOM 699 O SER A 47 0.908 11.157 -30.436 1.00 5.24 O ATOM 700 CB SER A 47 2.218 10.496 -32.719 1.00 53.34 C ATOM 701 OG SER A 47 3.019 9.699 -33.588 1.00 2.34 O ATOM 0 H SER A 47 3.666 9.250 -30.727 1.00 12.14 H new ATOM 0 HA SER A 47 3.538 11.965 -31.905 1.00 63.25 H new ATOM 0 HB2 SER A 47 1.398 9.894 -32.328 1.00 53.34 H new ATOM 0 HB3 SER A 47 1.772 11.314 -33.285 1.00 53.34 H new ATOM 0 HG SER A 47 2.464 9.351 -34.317 1.00 2.34 H new ATOM 707 N TYR A 48 2.696 12.055 -29.381 1.00 51.45 N ATOM 708 CA TYR A 48 1.940 12.465 -28.210 1.00 53.45 C ATOM 709 C TYR A 48 0.738 13.325 -28.606 1.00 22.32 C ATOM 710 O TYR A 48 0.391 13.409 -29.784 1.00 41.51 O ATOM 711 CB TYR A 48 2.897 13.306 -27.364 1.00 50.11 C ATOM 712 CG TYR A 48 3.605 12.519 -26.258 1.00 52.33 C ATOM 713 CD1 TYR A 48 2.866 11.860 -25.297 1.00 54.41 C ATOM 714 CD2 TYR A 48 4.984 12.469 -26.223 1.00 33.34 C ATOM 715 CE1 TYR A 48 3.532 11.119 -24.258 1.00 15.30 C ATOM 716 CE2 TYR A 48 5.651 11.728 -25.183 1.00 74.44 C ATOM 717 CZ TYR A 48 4.892 11.090 -24.252 1.00 60.15 C ATOM 718 OH TYR A 48 5.521 10.390 -23.271 1.00 3.35 O ATOM 0 H TYR A 48 3.690 12.283 -29.349 1.00 51.45 H new ATOM 0 HA TYR A 48 1.562 11.595 -27.673 1.00 53.45 H new ATOM 0 HB2 TYR A 48 3.648 13.751 -28.017 1.00 50.11 H new ATOM 0 HB3 TYR A 48 2.341 14.127 -26.912 1.00 50.11 H new ATOM 0 HD1 TYR A 48 1.787 11.900 -25.324 1.00 54.41 H new ATOM 0 HD2 TYR A 48 5.563 12.985 -26.975 1.00 33.34 H new ATOM 0 HE1 TYR A 48 2.965 10.598 -23.501 1.00 15.30 H new ATOM 0 HE2 TYR A 48 6.729 11.680 -25.144 1.00 74.44 H new ATOM 0 HH TYR A 48 4.956 9.640 -22.990 1.00 3.35 H new ATOM 728 N THR A 49 0.136 13.943 -27.601 1.00 35.11 N ATOM 729 CA THR A 49 -1.019 14.794 -27.830 1.00 64.22 C ATOM 730 C THR A 49 -0.684 16.250 -27.495 1.00 54.14 C ATOM 731 O THR A 49 0.205 16.516 -26.687 1.00 75.51 O ATOM 732 CB THR A 49 -2.186 14.237 -27.014 1.00 13.11 C ATOM 733 OG1 THR A 49 -1.613 13.944 -25.743 1.00 51.35 O ATOM 734 CG2 THR A 49 -2.663 12.877 -27.529 1.00 63.01 C ATOM 0 H THR A 49 0.426 13.871 -26.626 1.00 35.11 H new ATOM 0 HA THR A 49 -1.308 14.793 -28.881 1.00 64.22 H new ATOM 0 HB THR A 49 -3.014 14.945 -27.035 1.00 13.11 H new ATOM 0 HG1 THR A 49 -2.302 13.579 -25.150 1.00 51.35 H new ATOM 0 HG21 THR A 49 -3.493 12.526 -26.915 1.00 63.01 H new ATOM 0 HG22 THR A 49 -2.993 12.975 -28.563 1.00 63.01 H new ATOM 0 HG23 THR A 49 -1.844 12.160 -27.476 1.00 63.01 H new ATOM 742 N ALA A 50 -1.413 17.153 -28.133 1.00 24.34 N ATOM 743 CA ALA A 50 -1.205 18.574 -27.912 1.00 24.32 C ATOM 744 C ALA A 50 -1.545 18.916 -26.460 1.00 54.32 C ATOM 745 O ALA A 50 -1.224 20.003 -25.983 1.00 62.11 O ATOM 746 CB ALA A 50 -2.044 19.374 -28.912 1.00 42.13 C ATOM 0 H ALA A 50 -2.149 16.929 -28.803 1.00 24.34 H new ATOM 0 HA ALA A 50 -0.161 18.839 -28.076 1.00 24.32 H new ATOM 0 HB1 ALA A 50 -1.888 20.440 -28.747 1.00 42.13 H new ATOM 0 HB2 ALA A 50 -1.743 19.117 -29.928 1.00 42.13 H new ATOM 0 HB3 ALA A 50 -3.099 19.136 -28.775 1.00 42.13 H new ATOM 752 N ALA A 51 -2.192 17.968 -25.799 1.00 13.53 N ATOM 753 CA ALA A 51 -2.579 18.155 -24.410 1.00 20.33 C ATOM 754 C ALA A 51 -1.550 17.478 -23.502 1.00 71.23 C ATOM 755 O ALA A 51 -1.534 17.711 -22.295 1.00 42.11 O ATOM 756 CB ALA A 51 -3.993 17.610 -24.197 1.00 31.52 C ATOM 0 H ALA A 51 -2.458 17.068 -26.199 1.00 13.53 H new ATOM 0 HA ALA A 51 -2.596 19.215 -24.155 1.00 20.33 H new ATOM 0 HB1 ALA A 51 -4.284 17.750 -23.156 1.00 31.52 H new ATOM 0 HB2 ALA A 51 -4.690 18.144 -24.843 1.00 31.52 H new ATOM 0 HB3 ALA A 51 -4.014 16.548 -24.440 1.00 31.52 H new ATOM 762 N ASN A 52 -0.716 16.653 -24.119 1.00 33.55 N ATOM 763 CA ASN A 52 0.313 15.941 -23.382 1.00 3.30 C ATOM 764 C ASN A 52 1.456 16.903 -23.054 1.00 32.21 C ATOM 765 O ASN A 52 1.704 17.204 -21.886 1.00 0.33 O ATOM 766 CB ASN A 52 0.886 14.789 -24.210 1.00 62.11 C ATOM 767 CG ASN A 52 2.172 14.249 -23.580 1.00 74.35 C ATOM 768 OD1 ASN A 52 3.254 14.346 -24.135 1.00 73.55 O ATOM 769 ND2 ASN A 52 1.993 13.675 -22.394 1.00 24.25 N ATOM 0 H ASN A 52 -0.733 16.462 -25.121 1.00 33.55 H new ATOM 0 HA ASN A 52 -0.137 15.542 -22.473 1.00 3.30 H new ATOM 0 HB2 ASN A 52 0.150 13.989 -24.285 1.00 62.11 H new ATOM 0 HB3 ASN A 52 1.090 15.131 -25.225 1.00 62.11 H new ATOM 0 HD21 ASN A 52 2.789 13.282 -21.892 1.00 24.25 H new ATOM 0 HD22 ASN A 52 1.059 13.628 -21.986 1.00 24.25 H new ATOM 776 N LYS A 53 2.124 17.359 -24.104 1.00 51.52 N ATOM 777 CA LYS A 53 3.236 18.280 -23.941 1.00 63.12 C ATOM 778 C LYS A 53 2.729 19.577 -23.309 1.00 71.04 C ATOM 779 O LYS A 53 3.511 20.347 -22.751 1.00 34.03 O ATOM 780 CB LYS A 53 3.958 18.487 -25.275 1.00 51.14 C ATOM 781 CG LYS A 53 4.031 17.181 -26.068 1.00 72.33 C ATOM 782 CD LYS A 53 3.001 17.168 -27.199 1.00 61.33 C ATOM 783 CE LYS A 53 3.625 17.634 -28.515 1.00 25.12 C ATOM 784 NZ LYS A 53 2.579 18.114 -29.444 1.00 11.21 N1+ ATOM 0 H LYS A 53 1.916 17.108 -25.071 1.00 51.52 H new ATOM 0 HA LYS A 53 3.980 17.864 -23.262 1.00 63.12 H new ATOM 0 HB2 LYS A 53 3.436 19.244 -25.861 1.00 51.14 H new ATOM 0 HB3 LYS A 53 4.965 18.863 -25.093 1.00 51.14 H new ATOM 0 HG2 LYS A 53 5.032 17.058 -26.482 1.00 72.33 H new ATOM 0 HG3 LYS A 53 3.855 16.336 -25.402 1.00 72.33 H new ATOM 0 HD2 LYS A 53 2.600 16.161 -27.319 1.00 61.33 H new ATOM 0 HD3 LYS A 53 2.163 17.816 -26.940 1.00 61.33 H new ATOM 0 HE2 LYS A 53 4.342 18.432 -28.322 1.00 25.12 H new ATOM 0 HE3 LYS A 53 4.177 16.813 -28.973 1.00 25.12 H new ATOM 0 HZ1 LYS A 53 3.020 18.426 -30.332 1.00 11.21 H new ATOM 0 HZ2 LYS A 53 1.910 17.343 -29.642 1.00 11.21 H new ATOM 0 HZ3 LYS A 53 2.070 18.911 -29.011 1.00 11.21 H new ATOM 797 N ASN A 54 1.424 19.780 -23.414 1.00 23.11 N ATOM 798 CA ASN A 54 0.804 20.970 -22.859 1.00 62.43 C ATOM 799 C ASN A 54 1.250 21.142 -21.405 1.00 74.05 C ATOM 800 O ASN A 54 1.918 22.118 -21.068 1.00 24.23 O ATOM 801 CB ASN A 54 -0.721 20.856 -22.875 1.00 40.12 C ATOM 802 CG ASN A 54 -1.376 22.219 -22.637 1.00 73.51 C ATOM 803 OD1 ASN A 54 -1.321 22.783 -21.557 1.00 23.41 O ATOM 804 ND2 ASN A 54 -1.998 22.712 -23.704 1.00 32.23 N ATOM 0 H ASN A 54 0.779 19.139 -23.876 1.00 23.11 H new ATOM 0 HA ASN A 54 1.108 21.822 -23.467 1.00 62.43 H new ATOM 0 HB2 ASN A 54 -1.049 20.453 -23.833 1.00 40.12 H new ATOM 0 HB3 ASN A 54 -1.045 20.154 -22.107 1.00 40.12 H new ATOM 0 HD21 ASN A 54 -2.468 23.616 -23.648 1.00 32.23 H new ATOM 0 HD22 ASN A 54 -2.005 22.187 -24.578 1.00 32.23 H new ATOM 811 N LYS A 55 0.863 20.177 -20.584 1.00 72.24 N ATOM 812 CA LYS A 55 1.214 20.209 -19.174 1.00 1.14 C ATOM 813 C LYS A 55 2.679 20.624 -19.028 1.00 53.42 C ATOM 814 O LYS A 55 2.972 21.763 -18.667 1.00 12.22 O ATOM 815 CB LYS A 55 0.885 18.870 -18.509 1.00 73.04 C ATOM 816 CG LYS A 55 0.504 19.066 -17.041 1.00 64.50 C ATOM 817 CD LYS A 55 -1.000 19.304 -16.891 1.00 75.50 C ATOM 818 CE LYS A 55 -1.280 20.421 -15.883 1.00 64.34 C ATOM 819 NZ LYS A 55 -2.597 20.218 -15.240 1.00 3.42 N1+ ATOM 0 H LYS A 55 0.310 19.368 -20.868 1.00 72.24 H new ATOM 0 HA LYS A 55 0.616 20.954 -18.649 1.00 1.14 H new ATOM 0 HB2 LYS A 55 0.064 18.388 -19.040 1.00 73.04 H new ATOM 0 HB3 LYS A 55 1.745 18.204 -18.579 1.00 73.04 H new ATOM 0 HG2 LYS A 55 0.796 18.187 -16.466 1.00 64.50 H new ATOM 0 HG3 LYS A 55 1.053 19.913 -16.629 1.00 64.50 H new ATOM 0 HD2 LYS A 55 -1.429 19.566 -17.858 1.00 75.50 H new ATOM 0 HD3 LYS A 55 -1.487 18.385 -16.565 1.00 75.50 H new ATOM 0 HE2 LYS A 55 -0.497 20.440 -15.125 1.00 64.34 H new ATOM 0 HE3 LYS A 55 -1.259 21.387 -16.387 1.00 64.34 H new ATOM 0 HZ1 LYS A 55 -2.810 21.027 -14.622 1.00 3.42 H new ATOM 0 HZ2 LYS A 55 -3.332 20.138 -15.972 1.00 3.42 H new ATOM 0 HZ3 LYS A 55 -2.576 19.346 -14.673 1.00 3.42 H new ATOM 832 N GLY A 56 3.561 19.678 -19.314 1.00 41.10 N ATOM 833 CA GLY A 56 4.988 19.931 -19.219 1.00 23.55 C ATOM 834 C GLY A 56 5.430 20.033 -17.758 1.00 73.03 C ATOM 835 O GLY A 56 6.125 20.975 -17.379 1.00 71.12 O ATOM 0 H GLY A 56 3.314 18.734 -19.612 1.00 41.10 H new ATOM 0 HA2 GLY A 56 5.537 19.130 -19.714 1.00 23.55 H new ATOM 0 HA3 GLY A 56 5.233 20.855 -19.742 1.00 23.55 H new ATOM 839 N ILE A 57 5.011 19.050 -16.976 1.00 34.25 N ATOM 840 CA ILE A 57 5.354 19.016 -15.565 1.00 4.20 C ATOM 841 C ILE A 57 6.220 17.786 -15.284 1.00 44.42 C ATOM 842 O ILE A 57 6.373 16.920 -16.144 1.00 10.04 O ATOM 843 CB ILE A 57 4.092 19.089 -14.703 1.00 10.34 C ATOM 844 CG1 ILE A 57 2.947 18.298 -15.341 1.00 23.30 C ATOM 845 CG2 ILE A 57 3.700 20.541 -14.426 1.00 35.13 C ATOM 846 CD1 ILE A 57 3.266 16.802 -15.372 1.00 51.13 C ATOM 0 H ILE A 57 4.436 18.270 -17.293 1.00 34.25 H new ATOM 0 HA ILE A 57 5.946 19.891 -15.297 1.00 4.20 H new ATOM 0 HB ILE A 57 4.308 18.625 -13.741 1.00 10.34 H new ATOM 0 HG12 ILE A 57 2.027 18.466 -14.780 1.00 23.30 H new ATOM 0 HG13 ILE A 57 2.772 18.658 -16.355 1.00 23.30 H new ATOM 0 HG21 ILE A 57 2.800 20.564 -13.811 1.00 35.13 H new ATOM 0 HG22 ILE A 57 4.512 21.043 -13.900 1.00 35.13 H new ATOM 0 HG23 ILE A 57 3.508 21.052 -15.369 1.00 35.13 H new ATOM 0 HD11 ILE A 57 2.437 16.263 -15.830 1.00 51.13 H new ATOM 0 HD12 ILE A 57 4.173 16.635 -15.954 1.00 51.13 H new ATOM 0 HD13 ILE A 57 3.416 16.441 -14.355 1.00 51.13 H new ATOM 858 N ILE A 58 6.766 17.749 -14.077 1.00 31.21 N ATOM 859 CA ILE A 58 7.613 16.640 -13.672 1.00 43.43 C ATOM 860 C ILE A 58 6.765 15.597 -12.942 1.00 60.14 C ATOM 861 O ILE A 58 6.390 15.794 -11.786 1.00 21.20 O ATOM 862 CB ILE A 58 8.803 17.146 -12.855 1.00 45.12 C ATOM 863 CG1 ILE A 58 9.659 18.114 -13.676 1.00 53.42 C ATOM 864 CG2 ILE A 58 9.626 15.979 -12.306 1.00 60.01 C ATOM 865 CD1 ILE A 58 11.055 18.262 -13.067 1.00 11.43 C ATOM 0 H ILE A 58 6.638 18.469 -13.366 1.00 31.21 H new ATOM 0 HA ILE A 58 8.041 16.149 -14.546 1.00 43.43 H new ATOM 0 HB ILE A 58 8.419 17.701 -11.999 1.00 45.12 H new ATOM 0 HG12 ILE A 58 9.742 17.752 -14.701 1.00 53.42 H new ATOM 0 HG13 ILE A 58 9.172 19.088 -13.720 1.00 53.42 H new ATOM 0 HG21 ILE A 58 10.466 16.366 -11.729 1.00 60.01 H new ATOM 0 HG22 ILE A 58 8.998 15.361 -11.664 1.00 60.01 H new ATOM 0 HG23 ILE A 58 10.001 15.377 -13.134 1.00 60.01 H new ATOM 0 HD11 ILE A 58 11.643 18.955 -13.669 1.00 11.43 H new ATOM 0 HD12 ILE A 58 10.970 18.647 -12.051 1.00 11.43 H new ATOM 0 HD13 ILE A 58 11.548 17.290 -13.047 1.00 11.43 H new ATOM 877 N TRP A 59 6.487 14.508 -13.645 1.00 42.03 N ATOM 878 CA TRP A 59 5.690 13.434 -13.078 1.00 53.42 C ATOM 879 C TRP A 59 6.318 13.035 -11.741 1.00 35.14 C ATOM 880 O TRP A 59 7.480 13.343 -11.480 1.00 11.40 O ATOM 881 CB TRP A 59 5.573 12.263 -14.056 1.00 61.43 C ATOM 882 CG TRP A 59 4.718 12.567 -15.289 1.00 4.33 C ATOM 883 CD1 TRP A 59 5.075 12.494 -16.578 1.00 71.34 C ATOM 884 CD2 TRP A 59 3.340 12.996 -15.296 1.00 13.24 C ATOM 885 NE1 TRP A 59 4.032 12.843 -17.413 1.00 20.21 N ATOM 886 CE2 TRP A 59 2.943 13.157 -16.607 1.00 13.32 C ATOM 887 CE3 TRP A 59 2.458 13.238 -14.227 1.00 30.40 C ATOM 888 CZ2 TRP A 59 1.657 13.569 -16.974 1.00 41.54 C ATOM 889 CZ3 TRP A 59 1.176 13.649 -14.611 1.00 15.13 C ATOM 890 CH2 TRP A 59 0.761 13.817 -15.927 1.00 21.05 C ATOM 0 H TRP A 59 6.800 14.347 -14.602 1.00 42.03 H new ATOM 0 HA TRP A 59 4.668 13.766 -12.898 1.00 53.42 H new ATOM 0 HB2 TRP A 59 6.572 11.973 -14.381 1.00 61.43 H new ATOM 0 HB3 TRP A 59 5.147 11.407 -13.533 1.00 61.43 H new ATOM 0 HD1 TRP A 59 6.056 12.199 -16.921 1.00 71.34 H new ATOM 0 HE1 TRP A 59 4.056 12.866 -18.432 1.00 20.21 H new ATOM 0 HE3 TRP A 59 2.747 13.117 -13.193 1.00 30.40 H new ATOM 0 HZ2 TRP A 59 1.371 13.689 -18.009 1.00 41.54 H new ATOM 0 HZ3 TRP A 59 0.458 13.850 -13.829 1.00 15.13 H new ATOM 0 HH2 TRP A 59 -0.248 14.137 -16.141 1.00 21.05 H new ATOM 901 N GLY A 60 5.521 12.356 -10.929 1.00 53.12 N ATOM 902 CA GLY A 60 5.984 11.911 -9.625 1.00 65.12 C ATOM 903 C GLY A 60 4.849 11.257 -8.835 1.00 54.35 C ATOM 904 O GLY A 60 4.013 10.558 -9.405 1.00 52.13 O ATOM 0 H GLY A 60 4.558 12.103 -11.149 1.00 53.12 H new ATOM 0 HA2 GLY A 60 6.802 11.201 -9.748 1.00 65.12 H new ATOM 0 HA3 GLY A 60 6.379 12.759 -9.066 1.00 65.12 H new ATOM 908 N GLU A 61 4.858 11.505 -7.533 1.00 1.21 N ATOM 909 CA GLU A 61 3.841 10.949 -6.658 1.00 74.52 C ATOM 910 C GLU A 61 2.643 11.897 -6.567 1.00 21.13 C ATOM 911 O GLU A 61 1.499 11.451 -6.489 1.00 72.12 O ATOM 912 CB GLU A 61 4.413 10.653 -5.271 1.00 44.23 C ATOM 913 CG GLU A 61 5.025 9.252 -5.217 1.00 1.31 C ATOM 914 CD GLU A 61 3.967 8.204 -4.858 1.00 23.15 C ATOM 915 OE1 GLU A 61 4.307 7.139 -4.324 1.00 64.15 O ATOM 916 OE2 GLU A 61 2.755 8.531 -5.152 1.00 43.33 O1- ATOM 0 H GLU A 61 5.554 12.084 -7.063 1.00 1.21 H new ATOM 0 HA GLU A 61 3.501 10.005 -7.083 1.00 74.52 H new ATOM 0 HB2 GLU A 61 5.171 11.395 -5.021 1.00 44.23 H new ATOM 0 HB3 GLU A 61 3.625 10.738 -4.523 1.00 44.23 H new ATOM 0 HG2 GLU A 61 5.470 9.009 -6.182 1.00 1.31 H new ATOM 0 HG3 GLU A 61 5.828 9.230 -4.480 1.00 1.31 H new ATOM 924 N ASP A 62 2.947 13.186 -6.580 1.00 52.34 N ATOM 925 CA ASP A 62 1.910 14.200 -6.499 1.00 22.22 C ATOM 926 C ASP A 62 1.339 14.452 -7.897 1.00 44.15 C ATOM 927 O ASP A 62 0.178 14.145 -8.161 1.00 22.13 O ATOM 928 CB ASP A 62 2.472 15.523 -5.973 1.00 1.41 C ATOM 929 CG ASP A 62 3.678 15.387 -5.042 1.00 52.20 C ATOM 930 OD1 ASP A 62 4.821 15.231 -5.496 1.00 2.01 O ATOM 931 OD2 ASP A 62 3.404 15.448 -3.782 1.00 21.24 O1- ATOM 0 H ASP A 62 3.897 13.552 -6.645 1.00 52.34 H new ATOM 0 HA ASP A 62 1.139 13.840 -5.818 1.00 22.22 H new ATOM 0 HB2 ASP A 62 2.756 16.144 -6.823 1.00 1.41 H new ATOM 0 HB3 ASP A 62 1.680 16.052 -5.443 1.00 1.41 H new ATOM 937 N THR A 63 2.182 15.009 -8.753 1.00 72.52 N ATOM 938 CA THR A 63 1.776 15.306 -10.117 1.00 21.51 C ATOM 939 C THR A 63 0.912 14.172 -10.674 1.00 21.32 C ATOM 940 O THR A 63 0.047 14.404 -11.517 1.00 40.52 O ATOM 941 CB THR A 63 3.039 15.568 -10.939 1.00 0.41 C ATOM 942 OG1 THR A 63 3.977 14.614 -10.449 1.00 52.45 O ATOM 943 CG2 THR A 63 3.679 16.920 -10.616 1.00 31.44 C ATOM 0 H THR A 63 3.144 15.263 -8.529 1.00 72.52 H new ATOM 0 HA THR A 63 1.152 16.199 -10.160 1.00 21.51 H new ATOM 0 HB THR A 63 2.795 15.527 -12.001 1.00 0.41 H new ATOM 0 HG1 THR A 63 4.887 14.916 -10.653 1.00 52.45 H new ATOM 0 HG21 THR A 63 4.571 17.055 -11.227 1.00 31.44 H new ATOM 0 HG22 THR A 63 2.969 17.719 -10.829 1.00 31.44 H new ATOM 0 HG23 THR A 63 3.953 16.950 -9.562 1.00 31.44 H new ATOM 951 N LEU A 64 1.176 12.972 -10.180 1.00 13.22 N ATOM 952 CA LEU A 64 0.434 11.802 -10.619 1.00 63.53 C ATOM 953 C LEU A 64 -0.916 11.761 -9.900 1.00 64.34 C ATOM 954 O LEU A 64 -1.966 11.824 -10.537 1.00 55.10 O ATOM 955 CB LEU A 64 1.270 10.534 -10.430 1.00 44.42 C ATOM 956 CG LEU A 64 2.272 10.220 -11.542 1.00 60.21 C ATOM 957 CD1 LEU A 64 3.041 8.933 -11.239 1.00 64.04 C ATOM 958 CD2 LEU A 64 1.579 10.165 -12.905 1.00 52.11 C ATOM 0 H LEU A 64 1.893 12.784 -9.480 1.00 13.22 H new ATOM 0 HA LEU A 64 0.226 11.862 -11.687 1.00 63.53 H new ATOM 0 HB2 LEU A 64 1.815 10.619 -9.490 1.00 44.42 H new ATOM 0 HB3 LEU A 64 0.591 9.687 -10.330 1.00 44.42 H new ATOM 0 HG LEU A 64 3.001 11.029 -11.583 1.00 60.21 H new ATOM 0 HD11 LEU A 64 3.747 8.732 -12.045 1.00 64.04 H new ATOM 0 HD12 LEU A 64 3.584 9.046 -10.301 1.00 64.04 H new ATOM 0 HD13 LEU A 64 2.341 8.102 -11.155 1.00 64.04 H new ATOM 0 HD21 LEU A 64 2.314 9.940 -13.678 1.00 52.11 H new ATOM 0 HD22 LEU A 64 0.815 9.388 -12.894 1.00 52.11 H new ATOM 0 HD23 LEU A 64 1.114 11.128 -13.116 1.00 52.11 H new ATOM 970 N MET A 65 -0.845 11.657 -8.580 1.00 33.24 N ATOM 971 CA MET A 65 -2.048 11.608 -7.768 1.00 54.13 C ATOM 972 C MET A 65 -3.124 12.541 -8.324 1.00 25.33 C ATOM 973 O MET A 65 -4.317 12.273 -8.185 1.00 22.02 O ATOM 974 CB MET A 65 -1.712 12.015 -6.332 1.00 42.51 C ATOM 975 CG MET A 65 -2.718 11.420 -5.344 1.00 50.02 C ATOM 976 SD MET A 65 -2.023 11.407 -3.700 1.00 13.13 S ATOM 977 CE MET A 65 -1.536 9.694 -3.582 1.00 15.21 C ATOM 0 H MET A 65 0.027 11.605 -8.054 1.00 33.24 H new ATOM 0 HA MET A 65 -2.434 10.589 -7.786 1.00 54.13 H new ATOM 0 HB2 MET A 65 -0.707 11.678 -6.080 1.00 42.51 H new ATOM 0 HB3 MET A 65 -1.714 13.102 -6.248 1.00 42.51 H new ATOM 0 HG2 MET A 65 -3.639 12.003 -5.354 1.00 50.02 H new ATOM 0 HG3 MET A 65 -2.980 10.406 -5.645 1.00 50.02 H new ATOM 0 HE1 MET A 65 -1.080 9.512 -2.609 1.00 15.21 H new ATOM 0 HE2 MET A 65 -2.413 9.058 -3.697 1.00 15.21 H new ATOM 0 HE3 MET A 65 -0.817 9.465 -4.368 1.00 15.21 H new ATOM 987 N GLU A 66 -2.665 13.619 -8.943 1.00 74.14 N ATOM 988 CA GLU A 66 -3.574 14.595 -9.521 1.00 73.33 C ATOM 989 C GLU A 66 -4.060 14.121 -10.892 1.00 2.43 C ATOM 990 O GLU A 66 -5.259 14.132 -11.167 1.00 72.31 O ATOM 991 CB GLU A 66 -2.912 15.971 -9.620 1.00 53.20 C ATOM 992 CG GLU A 66 -3.948 17.089 -9.501 1.00 12.14 C ATOM 993 CD GLU A 66 -4.582 17.103 -8.108 1.00 45.11 C ATOM 994 OE1 GLU A 66 -5.559 16.380 -7.863 1.00 41.11 O ATOM 995 OE2 GLU A 66 -4.022 17.901 -7.263 1.00 22.52 O1- ATOM 0 H GLU A 66 -1.675 13.838 -9.057 1.00 74.14 H new ATOM 0 HA GLU A 66 -4.438 14.691 -8.864 1.00 73.33 H new ATOM 0 HB2 GLU A 66 -2.166 16.077 -8.832 1.00 53.20 H new ATOM 0 HB3 GLU A 66 -2.386 16.058 -10.571 1.00 53.20 H new ATOM 0 HG2 GLU A 66 -3.475 18.051 -9.699 1.00 12.14 H new ATOM 0 HG3 GLU A 66 -4.723 16.954 -10.256 1.00 12.14 H new ATOM 1003 N TYR A 67 -3.105 13.715 -11.715 1.00 23.00 N ATOM 1004 CA TYR A 67 -3.420 13.237 -13.050 1.00 3.25 C ATOM 1005 C TYR A 67 -4.207 11.927 -12.993 1.00 54.14 C ATOM 1006 O TYR A 67 -5.329 11.848 -13.491 1.00 20.25 O ATOM 1007 CB TYR A 67 -2.077 12.981 -13.736 1.00 71.14 C ATOM 1008 CG TYR A 67 -2.190 12.250 -15.075 1.00 24.31 C ATOM 1009 CD1 TYR A 67 -2.881 12.828 -16.121 1.00 64.21 C ATOM 1010 CD2 TYR A 67 -1.603 11.012 -15.236 1.00 40.42 C ATOM 1011 CE1 TYR A 67 -2.988 12.139 -17.381 1.00 44.34 C ATOM 1012 CE2 TYR A 67 -1.709 10.324 -16.496 1.00 20.05 C ATOM 1013 CZ TYR A 67 -2.396 10.921 -17.506 1.00 2.03 C ATOM 1014 OH TYR A 67 -2.497 10.270 -18.696 1.00 60.35 O ATOM 0 H TYR A 67 -2.112 13.707 -11.483 1.00 23.00 H new ATOM 0 HA TYR A 67 -4.029 13.967 -13.583 1.00 3.25 H new ATOM 0 HB2 TYR A 67 -1.575 13.935 -13.896 1.00 71.14 H new ATOM 0 HB3 TYR A 67 -1.445 12.397 -13.067 1.00 71.14 H new ATOM 0 HD1 TYR A 67 -3.341 13.797 -15.994 1.00 64.21 H new ATOM 0 HD2 TYR A 67 -1.064 10.559 -14.417 1.00 40.42 H new ATOM 0 HE1 TYR A 67 -3.526 12.579 -18.208 1.00 44.34 H new ATOM 0 HE2 TYR A 67 -1.253 9.355 -16.636 1.00 20.05 H new ATOM 0 HH TYR A 67 -2.383 9.307 -18.553 1.00 60.35 H new ATOM 1024 N LEU A 68 -3.589 10.929 -12.377 1.00 23.24 N ATOM 1025 CA LEU A 68 -4.217 9.625 -12.247 1.00 1.14 C ATOM 1026 C LEU A 68 -5.701 9.810 -11.922 1.00 70.03 C ATOM 1027 O LEU A 68 -6.564 9.292 -12.630 1.00 54.01 O ATOM 1028 CB LEU A 68 -3.465 8.768 -11.227 1.00 71.15 C ATOM 1029 CG LEU A 68 -2.333 7.902 -11.782 1.00 40.05 C ATOM 1030 CD1 LEU A 68 -2.849 6.523 -12.196 1.00 22.43 C ATOM 1031 CD2 LEU A 68 -1.612 8.613 -12.929 1.00 54.34 C ATOM 0 H LEU A 68 -2.660 10.998 -11.962 1.00 23.24 H new ATOM 0 HA LEU A 68 -4.162 9.079 -13.189 1.00 1.14 H new ATOM 0 HB2 LEU A 68 -3.051 9.427 -10.464 1.00 71.15 H new ATOM 0 HB3 LEU A 68 -4.184 8.116 -10.730 1.00 71.15 H new ATOM 0 HG LEU A 68 -1.602 7.746 -10.989 1.00 40.05 H new ATOM 0 HD11 LEU A 68 -2.024 5.928 -12.587 1.00 22.43 H new ATOM 0 HD12 LEU A 68 -3.280 6.021 -11.330 1.00 22.43 H new ATOM 0 HD13 LEU A 68 -3.612 6.636 -12.967 1.00 22.43 H new ATOM 0 HD21 LEU A 68 -0.812 7.976 -13.306 1.00 54.34 H new ATOM 0 HD22 LEU A 68 -2.320 8.819 -13.732 1.00 54.34 H new ATOM 0 HD23 LEU A 68 -1.190 9.551 -12.568 1.00 54.34 H new ATOM 1043 N GLU A 69 -5.952 10.548 -10.851 1.00 20.13 N ATOM 1044 CA GLU A 69 -7.317 10.805 -10.424 1.00 44.21 C ATOM 1045 C GLU A 69 -8.171 11.251 -11.614 1.00 21.20 C ATOM 1046 O GLU A 69 -9.263 10.728 -11.828 1.00 32.34 O ATOM 1047 CB GLU A 69 -7.353 11.848 -9.304 1.00 23.33 C ATOM 1048 CG GLU A 69 -8.794 12.216 -8.945 1.00 33.31 C ATOM 1049 CD GLU A 69 -8.905 12.617 -7.472 1.00 75.21 C ATOM 1050 OE1 GLU A 69 -8.011 13.294 -6.944 1.00 44.32 O ATOM 1051 OE2 GLU A 69 -9.970 12.200 -6.873 1.00 54.32 O1- ATOM 0 H GLU A 69 -5.234 10.976 -10.266 1.00 20.13 H new ATOM 0 HA GLU A 69 -7.734 9.879 -10.029 1.00 44.21 H new ATOM 0 HB2 GLU A 69 -6.843 11.459 -8.423 1.00 23.33 H new ATOM 0 HB3 GLU A 69 -6.813 12.742 -9.617 1.00 23.33 H new ATOM 0 HG2 GLU A 69 -9.132 13.038 -9.576 1.00 33.31 H new ATOM 0 HG3 GLU A 69 -9.451 11.369 -9.146 1.00 33.31 H new ATOM 1059 N ASN A 70 -7.639 12.210 -12.356 1.00 12.20 N ATOM 1060 CA ASN A 70 -8.338 12.730 -13.518 1.00 10.35 C ATOM 1061 C ASN A 70 -7.319 13.108 -14.595 1.00 50.13 C ATOM 1062 O ASN A 70 -6.843 14.242 -14.634 1.00 4.21 O ATOM 1063 CB ASN A 70 -9.138 13.986 -13.164 1.00 54.31 C ATOM 1064 CG ASN A 70 -10.448 13.621 -12.463 1.00 33.25 C ATOM 1065 OD1 ASN A 70 -10.495 13.373 -11.269 1.00 62.01 O ATOM 1066 ND2 ASN A 70 -11.507 13.601 -13.269 1.00 64.01 N ATOM 0 H ASN A 70 -6.732 12.641 -12.175 1.00 12.20 H new ATOM 0 HA ASN A 70 -9.019 11.957 -13.875 1.00 10.35 H new ATOM 0 HB2 ASN A 70 -8.543 14.631 -12.518 1.00 54.31 H new ATOM 0 HB3 ASN A 70 -9.352 14.553 -14.070 1.00 54.31 H new ATOM 0 HD21 ASN A 70 -12.427 13.368 -12.896 1.00 64.01 H new ATOM 0 HD22 ASN A 70 -11.398 13.819 -14.260 1.00 64.01 H new ATOM 1073 N PRO A 71 -7.005 12.111 -15.465 1.00 2.03 N ATOM 1074 CA PRO A 71 -6.051 12.328 -16.540 1.00 62.33 C ATOM 1075 C PRO A 71 -6.671 13.162 -17.663 1.00 21.13 C ATOM 1076 O PRO A 71 -5.967 13.894 -18.358 1.00 13.34 O ATOM 1077 CB PRO A 71 -5.643 10.935 -16.990 1.00 51.50 C ATOM 1078 CG PRO A 71 -6.723 9.997 -16.474 1.00 20.32 C ATOM 1079 CD PRO A 71 -7.550 10.758 -15.450 1.00 43.43 C ATOM 0 HA PRO A 71 -5.180 12.900 -16.221 1.00 62.33 H new ATOM 0 HB2 PRO A 71 -5.566 10.882 -18.076 1.00 51.50 H new ATOM 0 HB3 PRO A 71 -4.667 10.665 -16.588 1.00 51.50 H new ATOM 0 HG2 PRO A 71 -7.353 9.652 -17.294 1.00 20.32 H new ATOM 0 HG3 PRO A 71 -6.276 9.112 -16.022 1.00 20.32 H new ATOM 0 HD2 PRO A 71 -8.608 10.754 -15.714 1.00 43.43 H new ATOM 0 HD3 PRO A 71 -7.466 10.308 -14.461 1.00 43.43 H new ATOM 1087 N LYS A 72 -7.980 13.023 -17.808 1.00 52.22 N ATOM 1088 CA LYS A 72 -8.702 13.755 -18.835 1.00 43.01 C ATOM 1089 C LYS A 72 -8.637 15.252 -18.529 1.00 54.30 C ATOM 1090 O LYS A 72 -8.194 16.041 -19.362 1.00 52.53 O ATOM 1091 CB LYS A 72 -10.127 13.216 -18.975 1.00 3.34 C ATOM 1092 CG LYS A 72 -10.920 13.423 -17.682 1.00 13.21 C ATOM 1093 CD LYS A 72 -12.163 12.531 -17.654 1.00 21.22 C ATOM 1094 CE LYS A 72 -13.258 13.088 -18.566 1.00 74.53 C ATOM 1095 NZ LYS A 72 -14.473 12.247 -18.490 1.00 65.43 N1+ ATOM 0 H LYS A 72 -8.560 12.414 -17.231 1.00 52.22 H new ATOM 0 HA LYS A 72 -8.234 13.608 -19.808 1.00 43.01 H new ATOM 0 HB2 LYS A 72 -10.631 13.720 -19.800 1.00 3.34 H new ATOM 0 HB3 LYS A 72 -10.096 12.155 -19.221 1.00 3.34 H new ATOM 0 HG2 LYS A 72 -10.287 13.199 -16.823 1.00 13.21 H new ATOM 0 HG3 LYS A 72 -11.216 14.469 -17.596 1.00 13.21 H new ATOM 0 HD2 LYS A 72 -11.898 11.522 -17.972 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -12.538 12.456 -16.633 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -13.497 14.110 -18.274 1.00 74.53 H new ATOM 0 HE3 LYS A 72 -12.899 13.126 -19.594 1.00 74.53 H new ATOM 0 HZ1 LYS A 72 -15.206 12.639 -19.115 1.00 65.43 H new ATOM 0 HZ2 LYS A 72 -14.244 11.278 -18.790 1.00 65.43 H new ATOM 0 HZ3 LYS A 72 -14.824 12.232 -17.511 1.00 65.43 H new ATOM 1108 N LYS A 73 -9.086 15.600 -17.332 1.00 54.43 N ATOM 1109 CA LYS A 73 -9.085 16.989 -16.906 1.00 14.10 C ATOM 1110 C LYS A 73 -7.658 17.539 -16.978 1.00 65.14 C ATOM 1111 O LYS A 73 -7.332 18.308 -17.880 1.00 73.42 O ATOM 1112 CB LYS A 73 -9.726 17.126 -15.524 1.00 44.31 C ATOM 1113 CG LYS A 73 -11.228 16.836 -15.585 1.00 44.45 C ATOM 1114 CD LYS A 73 -12.030 18.129 -15.740 1.00 21.13 C ATOM 1115 CE LYS A 73 -11.894 18.694 -17.155 1.00 32.30 C ATOM 1116 NZ LYS A 73 -10.763 19.646 -17.225 1.00 11.51 N1+ ATOM 0 H LYS A 73 -9.453 14.943 -16.643 1.00 54.43 H new ATOM 0 HA LYS A 73 -9.695 17.593 -17.577 1.00 14.10 H new ATOM 0 HB2 LYS A 73 -9.247 16.438 -14.827 1.00 44.31 H new ATOM 0 HB3 LYS A 73 -9.562 18.133 -15.141 1.00 44.31 H new ATOM 0 HG2 LYS A 73 -11.440 16.170 -16.422 1.00 44.45 H new ATOM 0 HG3 LYS A 73 -11.539 16.317 -14.678 1.00 44.45 H new ATOM 0 HD2 LYS A 73 -13.080 17.938 -15.521 1.00 21.13 H new ATOM 0 HD3 LYS A 73 -11.682 18.866 -15.016 1.00 21.13 H new ATOM 0 HE2 LYS A 73 -11.738 17.881 -17.864 1.00 32.30 H new ATOM 0 HE3 LYS A 73 -12.818 19.195 -17.443 1.00 32.30 H new ATOM 0 HZ1 LYS A 73 -11.127 20.605 -17.396 1.00 11.51 H new ATOM 0 HZ2 LYS A 73 -10.239 19.629 -16.327 1.00 11.51 H new ATOM 0 HZ3 LYS A 73 -10.127 19.373 -18.002 1.00 11.51 H new ATOM 1129 N TYR A 74 -6.848 17.122 -16.017 1.00 0.35 N ATOM 1130 CA TYR A 74 -5.464 17.563 -15.961 1.00 13.35 C ATOM 1131 C TYR A 74 -4.866 17.668 -17.365 1.00 21.32 C ATOM 1132 O TYR A 74 -4.125 18.606 -17.658 1.00 50.24 O ATOM 1133 CB TYR A 74 -4.711 16.487 -15.176 1.00 41.13 C ATOM 1134 CG TYR A 74 -3.334 16.931 -14.678 1.00 75.44 C ATOM 1135 CD1 TYR A 74 -3.233 17.796 -13.608 1.00 53.12 C ATOM 1136 CD2 TYR A 74 -2.192 16.466 -15.300 1.00 25.24 C ATOM 1137 CE1 TYR A 74 -1.937 18.214 -13.138 1.00 44.42 C ATOM 1138 CE2 TYR A 74 -0.897 16.883 -14.831 1.00 2.04 C ATOM 1139 CZ TYR A 74 -0.833 17.736 -13.773 1.00 54.11 C ATOM 1140 OH TYR A 74 0.391 18.131 -13.331 1.00 35.30 O ATOM 0 H TYR A 74 -7.123 16.483 -15.271 1.00 0.35 H new ATOM 0 HA TYR A 74 -5.392 18.546 -15.496 1.00 13.35 H new ATOM 0 HB2 TYR A 74 -5.316 16.185 -14.321 1.00 41.13 H new ATOM 0 HB3 TYR A 74 -4.591 15.607 -15.808 1.00 41.13 H new ATOM 0 HD1 TYR A 74 -4.126 18.160 -13.122 1.00 53.12 H new ATOM 0 HD2 TYR A 74 -2.271 15.790 -16.138 1.00 25.24 H new ATOM 0 HE1 TYR A 74 -1.844 18.891 -12.301 1.00 44.42 H new ATOM 0 HE2 TYR A 74 0.004 16.527 -15.308 1.00 2.04 H new ATOM 0 HH TYR A 74 0.961 17.345 -13.199 1.00 35.30 H new ATOM 1150 N ILE A 75 -5.208 16.694 -18.194 1.00 53.34 N ATOM 1151 CA ILE A 75 -4.713 16.665 -19.560 1.00 45.04 C ATOM 1152 C ILE A 75 -5.892 16.781 -20.528 1.00 31.42 C ATOM 1153 O ILE A 75 -6.411 15.771 -21.003 1.00 1.32 O ATOM 1154 CB ILE A 75 -3.847 15.425 -19.790 1.00 12.32 C ATOM 1155 CG1 ILE A 75 -2.990 15.117 -18.560 1.00 74.51 C ATOM 1156 CG2 ILE A 75 -3.000 15.574 -21.056 1.00 35.11 C ATOM 1157 CD1 ILE A 75 -1.829 14.188 -18.919 1.00 44.21 C ATOM 0 H ILE A 75 -5.822 15.918 -17.947 1.00 53.34 H new ATOM 0 HA ILE A 75 -4.062 17.519 -19.747 1.00 45.04 H new ATOM 0 HB ILE A 75 -4.508 14.572 -19.943 1.00 12.32 H new ATOM 0 HG12 ILE A 75 -2.601 16.045 -18.141 1.00 74.51 H new ATOM 0 HG13 ILE A 75 -3.606 14.654 -17.790 1.00 74.51 H new ATOM 0 HG21 ILE A 75 -2.394 14.679 -21.196 1.00 35.11 H new ATOM 0 HG22 ILE A 75 -3.654 15.708 -21.918 1.00 35.11 H new ATOM 0 HG23 ILE A 75 -2.348 16.442 -20.957 1.00 35.11 H new ATOM 0 HD11 ILE A 75 -1.236 13.985 -18.027 1.00 44.21 H new ATOM 0 HD12 ILE A 75 -2.222 13.251 -19.314 1.00 44.21 H new ATOM 0 HD13 ILE A 75 -1.201 14.665 -19.672 1.00 44.21 H new ATOM 1169 N PRO A 76 -6.291 18.052 -20.798 1.00 61.33 N ATOM 1170 CA PRO A 76 -7.399 18.312 -21.700 1.00 71.30 C ATOM 1171 C PRO A 76 -6.983 18.097 -23.156 1.00 33.42 C ATOM 1172 O PRO A 76 -6.312 18.944 -23.745 1.00 1.33 O ATOM 1173 CB PRO A 76 -7.817 19.744 -21.407 1.00 24.03 C ATOM 1174 CG PRO A 76 -6.640 20.383 -20.689 1.00 10.34 C ATOM 1175 CD PRO A 76 -5.701 19.271 -20.252 1.00 71.25 C ATOM 0 HA PRO A 76 -8.234 17.628 -21.548 1.00 71.30 H new ATOM 0 HB2 PRO A 76 -8.050 20.279 -22.328 1.00 24.03 H new ATOM 0 HB3 PRO A 76 -8.713 19.770 -20.787 1.00 24.03 H new ATOM 0 HG2 PRO A 76 -6.124 21.081 -21.348 1.00 10.34 H new ATOM 0 HG3 PRO A 76 -6.983 20.954 -19.826 1.00 10.34 H new ATOM 0 HD2 PRO A 76 -4.693 19.430 -20.636 1.00 71.25 H new ATOM 0 HD3 PRO A 76 -5.624 19.222 -19.166 1.00 71.25 H new ATOM 1183 N GLY A 77 -7.399 16.961 -23.696 1.00 72.13 N ATOM 1184 CA GLY A 77 -7.077 16.623 -25.072 1.00 33.14 C ATOM 1185 C GLY A 77 -6.210 15.364 -25.140 1.00 34.12 C ATOM 1186 O GLY A 77 -5.683 15.025 -26.199 1.00 30.24 O ATOM 0 H GLY A 77 -7.957 16.262 -23.205 1.00 72.13 H new ATOM 0 HA2 GLY A 77 -7.996 16.466 -25.636 1.00 33.14 H new ATOM 0 HA3 GLY A 77 -6.553 17.455 -25.541 1.00 33.14 H new ATOM 1190 N THR A 78 -6.090 14.705 -23.997 1.00 72.54 N ATOM 1191 CA THR A 78 -5.296 13.491 -23.914 1.00 22.21 C ATOM 1192 C THR A 78 -5.945 12.373 -24.732 1.00 2.52 C ATOM 1193 O THR A 78 -7.167 12.313 -24.849 1.00 4.33 O ATOM 1194 CB THR A 78 -5.124 13.140 -22.434 1.00 14.31 C ATOM 1195 OG1 THR A 78 -4.180 12.072 -22.439 1.00 2.22 O ATOM 1196 CG2 THR A 78 -6.384 12.519 -21.829 1.00 64.23 C ATOM 0 H THR A 78 -6.529 14.989 -23.121 1.00 72.54 H new ATOM 0 HA THR A 78 -4.306 13.635 -24.347 1.00 22.21 H new ATOM 0 HB THR A 78 -4.858 14.038 -21.876 1.00 14.31 H new ATOM 0 HG1 THR A 78 -4.008 11.783 -21.518 1.00 2.22 H new ATOM 0 HG21 THR A 78 -6.208 12.289 -20.778 1.00 64.23 H new ATOM 0 HG22 THR A 78 -7.212 13.222 -21.913 1.00 64.23 H new ATOM 0 HG23 THR A 78 -6.631 11.602 -22.364 1.00 64.23 H new ATOM 1204 N LYS A 79 -5.096 11.514 -25.279 1.00 44.33 N ATOM 1205 CA LYS A 79 -5.571 10.401 -26.083 1.00 42.52 C ATOM 1206 C LYS A 79 -5.688 9.155 -25.203 1.00 41.14 C ATOM 1207 O LYS A 79 -6.049 8.082 -25.685 1.00 0.42 O ATOM 1208 CB LYS A 79 -4.678 10.208 -27.310 1.00 10.55 C ATOM 1209 CG LYS A 79 -3.463 9.342 -26.971 1.00 62.22 C ATOM 1210 CD LYS A 79 -2.228 9.800 -27.752 1.00 44.22 C ATOM 1211 CE LYS A 79 -2.598 10.185 -29.185 1.00 74.45 C ATOM 1212 NZ LYS A 79 -3.547 9.204 -29.757 1.00 73.00 N1+ ATOM 0 H LYS A 79 -4.082 11.567 -25.181 1.00 44.33 H new ATOM 0 HA LYS A 79 -6.567 10.609 -26.473 1.00 42.52 H new ATOM 0 HB2 LYS A 79 -5.250 9.741 -28.111 1.00 10.55 H new ATOM 0 HB3 LYS A 79 -4.346 11.178 -27.679 1.00 10.55 H new ATOM 0 HG2 LYS A 79 -3.261 9.395 -25.901 1.00 62.22 H new ATOM 0 HG3 LYS A 79 -3.679 8.299 -27.204 1.00 62.22 H new ATOM 0 HD2 LYS A 79 -1.771 10.652 -27.249 1.00 44.22 H new ATOM 0 HD3 LYS A 79 -1.486 9.002 -27.766 1.00 44.22 H new ATOM 0 HE2 LYS A 79 -3.043 11.180 -29.197 1.00 74.45 H new ATOM 0 HE3 LYS A 79 -1.699 10.231 -29.799 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 -3.232 8.931 -30.710 1.00 73.00 H new ATOM 0 HZ2 LYS A 79 -3.583 8.361 -29.149 1.00 73.00 H new ATOM 0 HZ3 LYS A 79 -4.494 9.630 -29.814 1.00 73.00 H new ATOM 1225 N MET A 80 -5.373 9.338 -23.930 1.00 72.20 N ATOM 1226 CA MET A 80 -5.438 8.241 -22.978 1.00 50.41 C ATOM 1227 C MET A 80 -6.845 8.106 -22.392 1.00 72.11 C ATOM 1228 O MET A 80 -7.348 9.030 -21.756 1.00 14.12 O ATOM 1229 CB MET A 80 -4.436 8.485 -21.848 1.00 3.55 C ATOM 1230 CG MET A 80 -4.619 7.466 -20.723 1.00 30.15 C ATOM 1231 SD MET A 80 -3.318 7.649 -19.516 1.00 1.13 S ATOM 1232 CE MET A 80 -4.285 7.668 -18.016 1.00 62.42 C ATOM 0 H MET A 80 -5.072 10.229 -23.535 1.00 72.20 H new ATOM 0 HA MET A 80 -5.192 7.317 -23.501 1.00 50.41 H new ATOM 0 HB2 MET A 80 -3.420 8.422 -22.238 1.00 3.55 H new ATOM 0 HB3 MET A 80 -4.565 9.493 -21.455 1.00 3.55 H new ATOM 0 HG2 MET A 80 -5.590 7.607 -20.248 1.00 30.15 H new ATOM 0 HG3 MET A 80 -4.608 6.455 -21.131 1.00 30.15 H new ATOM 0 HE1 MET A 80 -3.668 8.021 -17.190 1.00 62.42 H new ATOM 0 HE2 MET A 80 -5.139 8.334 -18.142 1.00 62.42 H new ATOM 0 HE3 MET A 80 -4.640 6.660 -17.799 1.00 62.42 H new ATOM 1242 N ILE A 81 -7.441 6.946 -22.628 1.00 13.21 N ATOM 1243 CA ILE A 81 -8.780 6.677 -22.132 1.00 23.44 C ATOM 1244 C ILE A 81 -8.689 6.100 -20.718 1.00 45.24 C ATOM 1245 O ILE A 81 -8.279 4.954 -20.537 1.00 72.32 O ATOM 1246 CB ILE A 81 -9.546 5.787 -23.112 1.00 15.12 C ATOM 1247 CG1 ILE A 81 -9.532 6.384 -24.521 1.00 34.32 C ATOM 1248 CG2 ILE A 81 -10.968 5.522 -22.615 1.00 72.31 C ATOM 1249 CD1 ILE A 81 -10.245 7.737 -24.551 1.00 54.13 C ATOM 0 H ILE A 81 -7.021 6.182 -23.156 1.00 13.21 H new ATOM 0 HA ILE A 81 -9.354 7.601 -22.063 1.00 23.44 H new ATOM 0 HB ILE A 81 -9.040 4.823 -23.166 1.00 15.12 H new ATOM 0 HG12 ILE A 81 -8.503 6.504 -24.859 1.00 34.32 H new ATOM 0 HG13 ILE A 81 -10.017 5.698 -25.215 1.00 34.32 H new ATOM 0 HG21 ILE A 81 -11.491 4.887 -23.330 1.00 72.31 H new ATOM 0 HG22 ILE A 81 -10.928 5.022 -21.647 1.00 72.31 H new ATOM 0 HG23 ILE A 81 -11.500 6.468 -22.513 1.00 72.31 H new ATOM 0 HD11 ILE A 81 -10.220 8.139 -25.564 1.00 54.13 H new ATOM 0 HD12 ILE A 81 -11.281 7.610 -24.236 1.00 54.13 H new ATOM 0 HD13 ILE A 81 -9.743 8.428 -23.874 1.00 54.13 H new ATOM 1261 N PHE A 82 -9.077 6.919 -19.753 1.00 75.01 N ATOM 1262 CA PHE A 82 -9.045 6.504 -18.360 1.00 45.32 C ATOM 1263 C PHE A 82 -9.789 7.503 -17.472 1.00 15.33 C ATOM 1264 O PHE A 82 -9.348 8.639 -17.305 1.00 42.22 O ATOM 1265 CB PHE A 82 -7.574 6.463 -17.940 1.00 14.43 C ATOM 1266 CG PHE A 82 -7.272 5.455 -16.829 1.00 45.43 C ATOM 1267 CD1 PHE A 82 -7.116 4.138 -17.129 1.00 11.34 C ATOM 1268 CD2 PHE A 82 -7.161 5.877 -15.540 1.00 71.04 C ATOM 1269 CE1 PHE A 82 -6.836 3.203 -16.097 1.00 13.13 C ATOM 1270 CE2 PHE A 82 -6.881 4.942 -14.509 1.00 71.25 C ATOM 1271 CZ PHE A 82 -6.724 3.625 -14.809 1.00 22.42 C ATOM 0 H PHE A 82 -9.416 7.869 -19.907 1.00 75.01 H new ATOM 0 HA PHE A 82 -9.527 5.533 -18.250 1.00 45.32 H new ATOM 0 HB2 PHE A 82 -6.965 6.222 -18.811 1.00 14.43 H new ATOM 0 HB3 PHE A 82 -7.274 7.456 -17.607 1.00 14.43 H new ATOM 0 HD1 PHE A 82 -7.205 3.803 -18.152 1.00 11.34 H new ATOM 0 HD2 PHE A 82 -7.286 6.923 -15.301 1.00 71.04 H new ATOM 0 HE1 PHE A 82 -6.712 2.157 -16.335 1.00 13.13 H new ATOM 0 HE2 PHE A 82 -6.793 5.277 -13.486 1.00 71.25 H new ATOM 0 HZ PHE A 82 -6.510 2.914 -14.024 1.00 22.42 H new ATOM 1281 N VAL A 83 -10.906 7.044 -16.926 1.00 43.41 N ATOM 1282 CA VAL A 83 -11.715 7.884 -16.060 1.00 44.03 C ATOM 1283 C VAL A 83 -10.887 8.302 -14.843 1.00 4.21 C ATOM 1284 O VAL A 83 -11.000 9.431 -14.368 1.00 54.11 O ATOM 1285 CB VAL A 83 -13.006 7.154 -15.682 1.00 25.21 C ATOM 1286 CG1 VAL A 83 -12.764 6.168 -14.537 1.00 45.31 C ATOM 1287 CG2 VAL A 83 -14.113 8.148 -15.325 1.00 35.41 C ATOM 0 H VAL A 83 -11.269 6.101 -17.067 1.00 43.41 H new ATOM 0 HA VAL A 83 -12.012 8.795 -16.580 1.00 44.03 H new ATOM 0 HB VAL A 83 -13.335 6.584 -16.551 1.00 25.21 H new ATOM 0 HG11 VAL A 83 -13.697 5.663 -14.288 1.00 45.31 H new ATOM 0 HG12 VAL A 83 -12.022 5.430 -14.843 1.00 45.31 H new ATOM 0 HG13 VAL A 83 -12.400 6.708 -13.663 1.00 45.31 H new ATOM 0 HG21 VAL A 83 -15.019 7.604 -15.060 1.00 35.41 H new ATOM 0 HG22 VAL A 83 -13.796 8.758 -14.479 1.00 35.41 H new ATOM 0 HG23 VAL A 83 -14.314 8.792 -16.181 1.00 35.41 H new ATOM 1297 N GLY A 84 -10.072 7.369 -14.373 1.00 4.04 N ATOM 1298 CA GLY A 84 -9.225 7.626 -13.221 1.00 52.24 C ATOM 1299 C GLY A 84 -9.659 6.782 -12.021 1.00 70.24 C ATOM 1300 O GLY A 84 -10.682 6.101 -12.075 1.00 15.11 O ATOM 0 H GLY A 84 -9.980 6.434 -14.769 1.00 4.04 H new ATOM 0 HA2 GLY A 84 -8.188 7.403 -13.471 1.00 52.24 H new ATOM 0 HA3 GLY A 84 -9.270 8.684 -12.961 1.00 52.24 H new ATOM 1304 N ILE A 85 -8.861 6.856 -10.967 1.00 33.41 N ATOM 1305 CA ILE A 85 -9.150 6.107 -9.755 1.00 44.34 C ATOM 1306 C ILE A 85 -9.608 7.074 -8.661 1.00 34.42 C ATOM 1307 O ILE A 85 -9.281 8.259 -8.697 1.00 13.31 O ATOM 1308 CB ILE A 85 -7.948 5.249 -9.355 1.00 61.04 C ATOM 1309 CG1 ILE A 85 -7.648 4.195 -10.422 1.00 21.04 C ATOM 1310 CG2 ILE A 85 -8.156 4.624 -7.974 1.00 53.31 C ATOM 1311 CD1 ILE A 85 -6.176 3.781 -10.385 1.00 62.43 C ATOM 0 H ILE A 85 -8.014 7.423 -10.926 1.00 33.41 H new ATOM 0 HA ILE A 85 -9.968 5.407 -9.925 1.00 44.34 H new ATOM 0 HB ILE A 85 -7.074 5.896 -9.287 1.00 61.04 H new ATOM 0 HG12 ILE A 85 -8.279 3.321 -10.262 1.00 21.04 H new ATOM 0 HG13 ILE A 85 -7.894 4.590 -11.408 1.00 21.04 H new ATOM 0 HG21 ILE A 85 -7.287 4.019 -7.714 1.00 53.31 H new ATOM 0 HG22 ILE A 85 -8.284 5.413 -7.233 1.00 53.31 H new ATOM 0 HG23 ILE A 85 -9.045 3.994 -7.990 1.00 53.31 H new ATOM 0 HD11 ILE A 85 -5.990 3.031 -11.154 1.00 62.43 H new ATOM 0 HD12 ILE A 85 -5.548 4.653 -10.569 1.00 62.43 H new ATOM 0 HD13 ILE A 85 -5.940 3.364 -9.406 1.00 62.43 H new ATOM 1323 N LYS A 86 -10.357 6.530 -7.712 1.00 65.04 N ATOM 1324 CA LYS A 86 -10.863 7.329 -6.608 1.00 4.54 C ATOM 1325 C LYS A 86 -10.181 6.890 -5.312 1.00 23.40 C ATOM 1326 O LYS A 86 -9.747 7.725 -4.520 1.00 42.24 O ATOM 1327 CB LYS A 86 -12.391 7.262 -6.554 1.00 51.42 C ATOM 1328 CG LYS A 86 -13.011 7.859 -7.819 1.00 2.32 C ATOM 1329 CD LYS A 86 -13.024 6.838 -8.958 1.00 43.02 C ATOM 1330 CE LYS A 86 -13.975 7.274 -10.074 1.00 63.30 C ATOM 1331 NZ LYS A 86 -13.341 8.312 -10.918 1.00 13.13 N1+ ATOM 0 H LYS A 86 -10.625 5.546 -7.685 1.00 65.04 H new ATOM 0 HA LYS A 86 -10.619 8.381 -6.756 1.00 4.54 H new ATOM 0 HB2 LYS A 86 -12.709 6.225 -6.443 1.00 51.42 H new ATOM 0 HB3 LYS A 86 -12.752 7.802 -5.678 1.00 51.42 H new ATOM 0 HG2 LYS A 86 -14.029 8.188 -7.609 1.00 2.32 H new ATOM 0 HG3 LYS A 86 -12.447 8.741 -8.123 1.00 2.32 H new ATOM 0 HD2 LYS A 86 -12.017 6.722 -9.358 1.00 43.02 H new ATOM 0 HD3 LYS A 86 -13.329 5.864 -8.575 1.00 43.02 H new ATOM 0 HE2 LYS A 86 -14.245 6.414 -10.686 1.00 63.30 H new ATOM 0 HE3 LYS A 86 -14.898 7.661 -9.643 1.00 63.30 H new ATOM 0 HZ1 LYS A 86 -13.999 8.597 -11.671 1.00 13.13 H new ATOM 0 HZ2 LYS A 86 -13.105 9.139 -10.333 1.00 13.13 H new ATOM 0 HZ3 LYS A 86 -12.473 7.930 -11.344 1.00 13.13 H new ATOM 1344 N LYS A 87 -10.108 5.579 -5.134 1.00 14.22 N ATOM 1345 CA LYS A 87 -9.486 5.018 -3.947 1.00 74.32 C ATOM 1346 C LYS A 87 -8.028 5.476 -3.875 1.00 52.11 C ATOM 1347 O LYS A 87 -7.191 5.018 -4.651 1.00 61.33 O ATOM 1348 CB LYS A 87 -9.656 3.498 -3.921 1.00 24.34 C ATOM 1349 CG LYS A 87 -11.021 3.107 -3.350 1.00 3.32 C ATOM 1350 CD LYS A 87 -12.121 3.270 -4.401 1.00 34.24 C ATOM 1351 CE LYS A 87 -13.326 2.386 -4.075 1.00 64.11 C ATOM 1352 NZ LYS A 87 -13.779 2.621 -2.684 1.00 73.24 N1+ ATOM 0 H LYS A 87 -10.470 4.889 -5.792 1.00 14.22 H new ATOM 0 HA LYS A 87 -9.980 5.386 -3.048 1.00 74.32 H new ATOM 0 HB2 LYS A 87 -9.553 3.100 -4.930 1.00 24.34 H new ATOM 0 HB3 LYS A 87 -8.865 3.051 -3.319 1.00 24.34 H new ATOM 0 HG2 LYS A 87 -10.993 2.073 -3.005 1.00 3.32 H new ATOM 0 HG3 LYS A 87 -11.247 3.726 -2.482 1.00 3.32 H new ATOM 0 HD2 LYS A 87 -12.433 4.313 -4.447 1.00 34.24 H new ATOM 0 HD3 LYS A 87 -11.730 3.010 -5.385 1.00 34.24 H new ATOM 0 HE2 LYS A 87 -14.139 2.598 -4.769 1.00 64.11 H new ATOM 0 HE3 LYS A 87 -13.061 1.337 -4.205 1.00 64.11 H new ATOM 0 HZ1 LYS A 87 -14.715 2.189 -2.546 1.00 73.24 H new ATOM 0 HZ2 LYS A 87 -13.100 2.195 -2.021 1.00 73.24 H new ATOM 0 HZ3 LYS A 87 -13.840 3.644 -2.507 1.00 73.24 H new ATOM 1365 N LYS A 88 -7.769 6.373 -2.936 1.00 3.10 N ATOM 1366 CA LYS A 88 -6.426 6.899 -2.752 1.00 50.44 C ATOM 1367 C LYS A 88 -5.479 5.751 -2.396 1.00 62.35 C ATOM 1368 O LYS A 88 -4.359 5.686 -2.900 1.00 5.43 O ATOM 1369 CB LYS A 88 -6.430 8.034 -1.727 1.00 32.15 C ATOM 1370 CG LYS A 88 -5.047 8.677 -1.616 1.00 53.14 C ATOM 1371 CD LYS A 88 -5.014 9.718 -0.496 1.00 21.14 C ATOM 1372 CE LYS A 88 -3.880 10.722 -0.712 1.00 11.43 C ATOM 1373 NZ LYS A 88 -3.420 11.272 0.583 1.00 32.04 N1+ ATOM 0 H LYS A 88 -8.466 6.750 -2.294 1.00 3.10 H new ATOM 0 HA LYS A 88 -6.059 7.340 -3.679 1.00 50.44 H new ATOM 0 HB2 LYS A 88 -7.163 8.787 -2.016 1.00 32.15 H new ATOM 0 HB3 LYS A 88 -6.735 7.649 -0.754 1.00 32.15 H new ATOM 0 HG2 LYS A 88 -4.299 7.908 -1.424 1.00 53.14 H new ATOM 0 HG3 LYS A 88 -4.784 9.148 -2.563 1.00 53.14 H new ATOM 0 HD2 LYS A 88 -5.968 10.244 -0.456 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -4.885 9.219 0.465 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -3.049 10.236 -1.223 1.00 11.43 H new ATOM 0 HE3 LYS A 88 -4.221 11.532 -1.357 1.00 11.43 H new ATOM 0 HZ1 LYS A 88 -2.650 11.952 0.418 1.00 32.04 H new ATOM 0 HZ2 LYS A 88 -4.211 11.753 1.056 1.00 32.04 H new ATOM 0 HZ3 LYS A 88 -3.075 10.498 1.186 1.00 32.04 H new ATOM 1386 N GLU A 89 -5.963 4.875 -1.528 1.00 24.00 N ATOM 1387 CA GLU A 89 -5.175 3.733 -1.098 1.00 53.30 C ATOM 1388 C GLU A 89 -4.892 2.806 -2.282 1.00 33.12 C ATOM 1389 O GLU A 89 -3.967 1.997 -2.234 1.00 21.33 O ATOM 1390 CB GLU A 89 -5.873 2.979 0.035 1.00 23.22 C ATOM 1391 CG GLU A 89 -6.093 3.888 1.246 1.00 22.23 C ATOM 1392 CD GLU A 89 -6.176 3.073 2.537 1.00 40.42 C ATOM 1393 OE1 GLU A 89 -7.175 3.165 3.266 1.00 70.43 O ATOM 1394 OE2 GLU A 89 -5.155 2.319 2.773 1.00 40.44 O1- ATOM 0 H GLU A 89 -6.892 4.933 -1.111 1.00 24.00 H new ATOM 0 HA GLU A 89 -4.223 4.099 -0.713 1.00 53.30 H new ATOM 0 HB2 GLU A 89 -6.831 2.596 -0.315 1.00 23.22 H new ATOM 0 HB3 GLU A 89 -5.273 2.117 0.327 1.00 23.22 H new ATOM 0 HG2 GLU A 89 -5.277 4.607 1.318 1.00 22.23 H new ATOM 0 HG3 GLU A 89 -7.011 4.460 1.113 1.00 22.23 H new ATOM 1402 N GLU A 90 -5.708 2.953 -3.315 1.00 72.24 N ATOM 1403 CA GLU A 90 -5.558 2.140 -4.510 1.00 0.45 C ATOM 1404 C GLU A 90 -4.519 2.759 -5.447 1.00 42.01 C ATOM 1405 O GLU A 90 -3.608 2.074 -5.909 1.00 73.10 O ATOM 1406 CB GLU A 90 -6.899 1.957 -5.220 1.00 22.42 C ATOM 1407 CG GLU A 90 -7.645 0.736 -4.680 1.00 43.23 C ATOM 1408 CD GLU A 90 -7.717 0.769 -3.152 1.00 20.55 C ATOM 1409 OE1 GLU A 90 -6.675 0.769 -2.482 1.00 5.43 O ATOM 1410 OE2 GLU A 90 -8.911 0.797 -2.664 1.00 12.21 O1- ATOM 0 H GLU A 90 -6.476 3.624 -3.349 1.00 72.24 H new ATOM 0 HA GLU A 90 -5.205 1.153 -4.212 1.00 0.45 H new ATOM 0 HB2 GLU A 90 -7.510 2.849 -5.085 1.00 22.42 H new ATOM 0 HB3 GLU A 90 -6.734 1.842 -6.291 1.00 22.42 H new ATOM 0 HG2 GLU A 90 -8.653 0.708 -5.095 1.00 43.23 H new ATOM 0 HG3 GLU A 90 -7.142 -0.175 -5.004 1.00 43.23 H new ATOM 1418 N ARG A 91 -4.692 4.048 -5.701 1.00 31.04 N ATOM 1419 CA ARG A 91 -3.782 4.767 -6.575 1.00 55.13 C ATOM 1420 C ARG A 91 -2.344 4.633 -6.071 1.00 34.33 C ATOM 1421 O ARG A 91 -1.455 4.229 -6.819 1.00 24.42 O ATOM 1422 CB ARG A 91 -4.151 6.250 -6.654 1.00 21.11 C ATOM 1423 CG ARG A 91 -5.335 6.472 -7.596 1.00 71.31 C ATOM 1424 CD ARG A 91 -5.373 7.915 -8.101 1.00 2.23 C ATOM 1425 NE ARG A 91 -5.411 8.850 -6.954 1.00 24.12 N ATOM 1426 CZ ARG A 91 -6.541 9.218 -6.314 1.00 72.21 C ATOM 1427 NH1 ARG A 91 -7.739 8.732 -6.706 1.00 52.41 N ATOM 1428 NH2 ARG A 91 -6.459 10.061 -5.301 1.00 72.51 N1+ ATOM 0 H ARG A 91 -5.449 4.613 -5.316 1.00 31.04 H new ATOM 0 HA ARG A 91 -3.864 4.330 -7.570 1.00 55.13 H new ATOM 0 HB2 ARG A 91 -4.399 6.620 -5.659 1.00 21.11 H new ATOM 0 HB3 ARG A 91 -3.292 6.824 -7.002 1.00 21.11 H new ATOM 0 HG2 ARG A 91 -5.263 5.789 -8.442 1.00 71.31 H new ATOM 0 HG3 ARG A 91 -6.265 6.240 -7.077 1.00 71.31 H new ATOM 0 HD2 ARG A 91 -4.497 8.117 -8.717 1.00 2.23 H new ATOM 0 HD3 ARG A 91 -6.248 8.065 -8.733 1.00 2.23 H new ATOM 0 HE ARG A 91 -4.528 9.241 -6.627 1.00 24.12 H new ATOM 0 HH11 ARG A 91 -7.794 8.082 -7.490 1.00 52.41 H new ATOM 0 HH12 ARG A 91 -8.589 9.015 -6.217 1.00 52.41 H new ATOM 0 HH21 ARG A 91 -5.551 10.425 -5.012 1.00 72.51 H new ATOM 0 HH22 ARG A 91 -7.304 10.349 -4.807 1.00 72.51 H new ATOM 1441 N ALA A 92 -2.159 4.977 -4.805 1.00 44.03 N ATOM 1442 CA ALA A 92 -0.845 4.900 -4.191 1.00 4.24 C ATOM 1443 C ALA A 92 -0.276 3.493 -4.392 1.00 44.10 C ATOM 1444 O ALA A 92 0.936 3.294 -4.315 1.00 25.42 O ATOM 1445 CB ALA A 92 -0.947 5.282 -2.714 1.00 24.15 C ATOM 0 H ALA A 92 -2.899 5.310 -4.187 1.00 44.03 H new ATOM 0 HA ALA A 92 -0.159 5.604 -4.662 1.00 4.24 H new ATOM 0 HB1 ALA A 92 0.040 5.224 -2.254 1.00 24.15 H new ATOM 0 HB2 ALA A 92 -1.329 6.299 -2.627 1.00 24.15 H new ATOM 0 HB3 ALA A 92 -1.625 4.596 -2.207 1.00 24.15 H new ATOM 1451 N ASP A 93 -1.176 2.556 -4.646 1.00 13.32 N ATOM 1452 CA ASP A 93 -0.779 1.175 -4.858 1.00 41.32 C ATOM 1453 C ASP A 93 -0.280 1.007 -6.294 1.00 30.23 C ATOM 1454 O ASP A 93 0.789 0.442 -6.522 1.00 20.11 O ATOM 1455 CB ASP A 93 -1.960 0.224 -4.653 1.00 51.12 C ATOM 1456 CG ASP A 93 -1.586 -1.176 -4.162 1.00 14.42 C ATOM 1457 OD1 ASP A 93 -0.688 -1.828 -4.715 1.00 11.21 O ATOM 1458 OD2 ASP A 93 -2.271 -1.601 -3.154 1.00 61.21 O1- ATOM 0 H ASP A 93 -2.180 2.726 -4.710 1.00 13.32 H new ATOM 0 HA ASP A 93 0.005 0.936 -4.139 1.00 41.32 H new ATOM 0 HB2 ASP A 93 -2.648 0.672 -3.936 1.00 51.12 H new ATOM 0 HB3 ASP A 93 -2.499 0.130 -5.596 1.00 51.12 H new ATOM 1464 N LEU A 94 -1.078 1.508 -7.226 1.00 1.20 N ATOM 1465 CA LEU A 94 -0.731 1.420 -8.634 1.00 74.05 C ATOM 1466 C LEU A 94 0.550 2.218 -8.890 1.00 42.32 C ATOM 1467 O LEU A 94 1.292 1.924 -9.825 1.00 60.31 O ATOM 1468 CB LEU A 94 -1.911 1.855 -9.505 1.00 54.11 C ATOM 1469 CG LEU A 94 -1.780 1.571 -11.003 1.00 72.20 C ATOM 1470 CD1 LEU A 94 -1.347 0.125 -11.252 1.00 35.13 C ATOM 1471 CD2 LEU A 94 -3.074 1.916 -11.741 1.00 30.44 C ATOM 0 H LEU A 94 -1.964 1.976 -7.033 1.00 1.20 H new ATOM 0 HA LEU A 94 -0.524 0.386 -8.912 1.00 74.05 H new ATOM 0 HB2 LEU A 94 -2.810 1.359 -9.139 1.00 54.11 H new ATOM 0 HB3 LEU A 94 -2.061 2.926 -9.370 1.00 54.11 H new ATOM 0 HG LEU A 94 -0.998 2.215 -11.405 1.00 72.20 H new ATOM 0 HD11 LEU A 94 -1.262 -0.050 -12.325 1.00 35.13 H new ATOM 0 HD12 LEU A 94 -0.382 -0.053 -10.777 1.00 35.13 H new ATOM 0 HD13 LEU A 94 -2.089 -0.554 -10.832 1.00 35.13 H new ATOM 0 HD21 LEU A 94 -2.954 1.705 -12.804 1.00 30.44 H new ATOM 0 HD22 LEU A 94 -3.892 1.316 -11.342 1.00 30.44 H new ATOM 0 HD23 LEU A 94 -3.300 2.974 -11.604 1.00 30.44 H new ATOM 1483 N ILE A 95 0.768 3.213 -8.043 1.00 14.42 N ATOM 1484 CA ILE A 95 1.945 4.057 -8.165 1.00 64.13 C ATOM 1485 C ILE A 95 3.140 3.351 -7.522 1.00 4.02 C ATOM 1486 O ILE A 95 4.241 3.363 -8.070 1.00 25.25 O ATOM 1487 CB ILE A 95 1.669 5.448 -7.592 1.00 34.32 C ATOM 1488 CG1 ILE A 95 0.537 6.140 -8.353 1.00 4.41 C ATOM 1489 CG2 ILE A 95 2.944 6.293 -7.567 1.00 33.12 C ATOM 1490 CD1 ILE A 95 0.149 7.458 -7.679 1.00 42.01 C ATOM 0 H ILE A 95 0.149 3.454 -7.269 1.00 14.42 H new ATOM 0 HA ILE A 95 2.195 4.215 -9.214 1.00 64.13 H new ATOM 0 HB ILE A 95 1.339 5.333 -6.560 1.00 34.32 H new ATOM 0 HG12 ILE A 95 0.848 6.330 -9.380 1.00 4.41 H new ATOM 0 HG13 ILE A 95 -0.331 5.482 -8.399 1.00 4.41 H new ATOM 0 HG21 ILE A 95 2.720 7.277 -7.155 1.00 33.12 H new ATOM 0 HG22 ILE A 95 3.694 5.802 -6.947 1.00 33.12 H new ATOM 0 HG23 ILE A 95 3.328 6.403 -8.581 1.00 33.12 H new ATOM 0 HD11 ILE A 95 -0.658 7.930 -8.240 1.00 42.01 H new ATOM 0 HD12 ILE A 95 -0.184 7.261 -6.660 1.00 42.01 H new ATOM 0 HD13 ILE A 95 1.012 8.123 -7.656 1.00 42.01 H new ATOM 1502 N ALA A 96 2.883 2.755 -6.368 1.00 33.14 N ATOM 1503 CA ALA A 96 3.925 2.046 -5.643 1.00 12.15 C ATOM 1504 C ALA A 96 4.521 0.963 -6.546 1.00 53.11 C ATOM 1505 O ALA A 96 5.728 0.944 -6.784 1.00 25.00 O ATOM 1506 CB ALA A 96 3.347 1.472 -4.348 1.00 44.52 C ATOM 0 H ALA A 96 1.969 2.748 -5.916 1.00 33.14 H new ATOM 0 HA ALA A 96 4.731 2.726 -5.366 1.00 12.15 H new ATOM 0 HB1 ALA A 96 4.128 0.941 -3.805 1.00 44.52 H new ATOM 0 HB2 ALA A 96 2.963 2.284 -3.730 1.00 44.52 H new ATOM 0 HB3 ALA A 96 2.537 0.782 -4.585 1.00 44.52 H new ATOM 1512 N TYR A 97 3.649 0.089 -7.023 1.00 1.44 N ATOM 1513 CA TYR A 97 4.074 -0.993 -7.894 1.00 62.31 C ATOM 1514 C TYR A 97 5.071 -0.494 -8.942 1.00 21.40 C ATOM 1515 O TYR A 97 6.097 -1.130 -9.180 1.00 22.13 O ATOM 1516 CB TYR A 97 2.811 -1.485 -8.603 1.00 54.22 C ATOM 1517 CG TYR A 97 3.078 -2.195 -9.932 1.00 33.23 C ATOM 1518 CD1 TYR A 97 3.753 -3.398 -9.949 1.00 70.44 C ATOM 1519 CD2 TYR A 97 2.646 -1.630 -11.115 1.00 73.34 C ATOM 1520 CE1 TYR A 97 4.006 -4.066 -11.199 1.00 61.32 C ATOM 1521 CE2 TYR A 97 2.899 -2.297 -12.366 1.00 72.22 C ATOM 1522 CZ TYR A 97 3.566 -3.482 -12.346 1.00 14.22 C ATOM 1523 OH TYR A 97 3.804 -4.112 -13.528 1.00 3.20 O ATOM 0 H TYR A 97 2.649 0.108 -6.823 1.00 1.44 H new ATOM 0 HA TYR A 97 4.563 -1.779 -7.319 1.00 62.31 H new ATOM 0 HB2 TYR A 97 2.277 -2.166 -7.940 1.00 54.22 H new ATOM 0 HB3 TYR A 97 2.154 -0.634 -8.783 1.00 54.22 H new ATOM 0 HD1 TYR A 97 4.092 -3.839 -9.023 1.00 70.44 H new ATOM 0 HD2 TYR A 97 2.118 -0.688 -11.102 1.00 73.34 H new ATOM 0 HE1 TYR A 97 4.533 -5.009 -11.225 1.00 61.32 H new ATOM 0 HE2 TYR A 97 2.567 -1.866 -13.299 1.00 72.22 H new ATOM 0 HH TYR A 97 3.432 -3.580 -14.263 1.00 3.20 H new ATOM 1533 N LEU A 98 4.734 0.638 -9.541 1.00 55.30 N ATOM 1534 CA LEU A 98 5.587 1.229 -10.558 1.00 10.43 C ATOM 1535 C LEU A 98 6.955 1.545 -9.950 1.00 50.54 C ATOM 1536 O LEU A 98 7.985 1.343 -10.592 1.00 71.33 O ATOM 1537 CB LEU A 98 4.902 2.442 -11.194 1.00 25.13 C ATOM 1538 CG LEU A 98 3.570 2.167 -11.894 1.00 4.11 C ATOM 1539 CD1 LEU A 98 2.804 3.468 -12.144 1.00 43.25 C ATOM 1540 CD2 LEU A 98 3.783 1.372 -13.184 1.00 11.03 C ATOM 0 H LEU A 98 3.882 1.162 -9.342 1.00 55.30 H new ATOM 0 HA LEU A 98 5.754 0.523 -11.371 1.00 10.43 H new ATOM 0 HB2 LEU A 98 4.735 3.189 -10.418 1.00 25.13 H new ATOM 0 HB3 LEU A 98 5.587 2.883 -11.918 1.00 25.13 H new ATOM 0 HG LEU A 98 2.957 1.553 -11.234 1.00 4.11 H new ATOM 0 HD11 LEU A 98 1.861 3.245 -12.643 1.00 43.25 H new ATOM 0 HD12 LEU A 98 2.604 3.961 -11.193 1.00 43.25 H new ATOM 0 HD13 LEU A 98 3.401 4.126 -12.775 1.00 43.25 H new ATOM 0 HD21 LEU A 98 2.821 1.190 -13.662 1.00 11.03 H new ATOM 0 HD22 LEU A 98 4.422 1.940 -13.860 1.00 11.03 H new ATOM 0 HD23 LEU A 98 4.258 0.419 -12.950 1.00 11.03 H new ATOM 1552 N LYS A 99 6.921 2.035 -8.719 1.00 73.11 N ATOM 1553 CA LYS A 99 8.145 2.380 -8.018 1.00 1.31 C ATOM 1554 C LYS A 99 8.968 1.112 -7.781 1.00 71.25 C ATOM 1555 O LYS A 99 10.144 1.187 -7.429 1.00 53.02 O ATOM 1556 CB LYS A 99 7.828 3.154 -6.737 1.00 31.34 C ATOM 1557 CG LYS A 99 7.806 4.662 -7.000 1.00 15.41 C ATOM 1558 CD LYS A 99 6.399 5.132 -7.374 1.00 1.10 C ATOM 1559 CE LYS A 99 6.201 6.607 -7.021 1.00 13.50 C ATOM 1560 NZ LYS A 99 7.463 7.358 -7.204 1.00 12.44 N1+ ATOM 0 H LYS A 99 6.065 2.201 -8.190 1.00 73.11 H new ATOM 0 HA LYS A 99 8.756 3.048 -8.625 1.00 1.31 H new ATOM 0 HB2 LYS A 99 6.862 2.835 -6.345 1.00 31.34 H new ATOM 0 HB3 LYS A 99 8.573 2.925 -5.975 1.00 31.34 H new ATOM 0 HG2 LYS A 99 8.147 5.195 -6.112 1.00 15.41 H new ATOM 0 HG3 LYS A 99 8.500 4.905 -7.804 1.00 15.41 H new ATOM 0 HD2 LYS A 99 6.234 4.985 -8.441 1.00 1.10 H new ATOM 0 HD3 LYS A 99 5.659 4.527 -6.851 1.00 1.10 H new ATOM 0 HE2 LYS A 99 5.421 7.036 -7.650 1.00 13.50 H new ATOM 0 HE3 LYS A 99 5.863 6.698 -5.989 1.00 13.50 H new ATOM 0 HZ1 LYS A 99 7.252 8.371 -7.312 1.00 12.44 H new ATOM 0 HZ2 LYS A 99 8.074 7.218 -6.374 1.00 12.44 H new ATOM 0 HZ3 LYS A 99 7.952 7.013 -8.055 1.00 12.44 H new ATOM 1573 N LYS A 100 8.317 -0.024 -7.986 1.00 63.15 N ATOM 1574 CA LYS A 100 8.973 -1.307 -7.800 1.00 72.41 C ATOM 1575 C LYS A 100 9.092 -2.015 -9.151 1.00 64.54 C ATOM 1576 O LYS A 100 9.805 -3.010 -9.273 1.00 30.00 O ATOM 1577 CB LYS A 100 8.246 -2.131 -6.735 1.00 4.54 C ATOM 1578 CG LYS A 100 8.839 -3.538 -6.632 1.00 42.24 C ATOM 1579 CD LYS A 100 10.337 -3.481 -6.326 1.00 15.32 C ATOM 1580 CE LYS A 100 10.797 -4.748 -5.603 1.00 64.41 C ATOM 1581 NZ LYS A 100 10.656 -5.929 -6.485 1.00 13.11 N1+ ATOM 0 H LYS A 100 7.342 -0.082 -8.279 1.00 63.15 H new ATOM 0 HA LYS A 100 9.986 -1.166 -7.424 1.00 72.41 H new ATOM 0 HB2 LYS A 100 8.319 -1.630 -5.770 1.00 4.54 H new ATOM 0 HB3 LYS A 100 7.186 -2.196 -6.981 1.00 4.54 H new ATOM 0 HG2 LYS A 100 8.325 -4.096 -5.849 1.00 42.24 H new ATOM 0 HG3 LYS A 100 8.675 -4.075 -7.566 1.00 42.24 H new ATOM 0 HD2 LYS A 100 10.897 -3.364 -7.254 1.00 15.32 H new ATOM 0 HD3 LYS A 100 10.553 -2.608 -5.710 1.00 15.32 H new ATOM 0 HE2 LYS A 100 11.837 -4.640 -5.294 1.00 64.41 H new ATOM 0 HE3 LYS A 100 10.208 -4.891 -4.697 1.00 64.41 H new ATOM 0 HZ1 LYS A 100 11.111 -6.751 -6.039 1.00 13.11 H new ATOM 0 HZ2 LYS A 100 9.647 -6.131 -6.636 1.00 13.11 H new ATOM 0 HZ3 LYS A 100 11.111 -5.735 -7.400 1.00 13.11 H new ATOM 1594 N ALA A 101 8.384 -1.474 -10.131 1.00 71.41 N ATOM 1595 CA ALA A 101 8.401 -2.041 -11.468 1.00 62.32 C ATOM 1596 C ALA A 101 9.489 -1.353 -12.295 1.00 15.30 C ATOM 1597 O ALA A 101 10.537 -1.940 -12.561 1.00 73.54 O ATOM 1598 CB ALA A 101 7.014 -1.904 -12.099 1.00 63.13 C ATOM 0 H ALA A 101 7.794 -0.648 -10.026 1.00 71.41 H new ATOM 0 HA ALA A 101 8.638 -3.104 -11.431 1.00 62.32 H new ATOM 0 HB1 ALA A 101 7.027 -2.330 -13.102 1.00 63.13 H new ATOM 0 HB2 ALA A 101 6.283 -2.435 -11.489 1.00 63.13 H new ATOM 0 HB3 ALA A 101 6.743 -0.850 -12.156 1.00 63.13 H new ATOM 1604 N THR A 102 9.203 -0.118 -12.679 1.00 2.02 N ATOM 1605 CA THR A 102 10.144 0.657 -13.471 1.00 71.34 C ATOM 1606 C THR A 102 11.466 0.820 -12.719 1.00 12.43 C ATOM 1607 O THR A 102 12.516 1.006 -13.333 1.00 41.24 O ATOM 1608 CB THR A 102 9.479 1.989 -13.826 1.00 15.35 C ATOM 1609 OG1 THR A 102 10.534 2.764 -14.388 1.00 54.52 O ATOM 1610 CG2 THR A 102 9.053 2.780 -12.588 1.00 62.44 C ATOM 0 H THR A 102 8.333 0.366 -12.457 1.00 2.02 H new ATOM 0 HA THR A 102 10.395 0.145 -14.400 1.00 71.34 H new ATOM 0 HB THR A 102 8.608 1.804 -14.454 1.00 15.35 H new ATOM 0 HG1 THR A 102 11.035 2.218 -15.029 1.00 54.52 H new ATOM 0 HG21 THR A 102 8.587 3.716 -12.897 1.00 62.44 H new ATOM 0 HG22 THR A 102 8.340 2.193 -12.009 1.00 62.44 H new ATOM 0 HG23 THR A 102 9.928 2.995 -11.975 1.00 62.44 H new ATOM 1618 N ASN A 103 11.372 0.744 -11.399 1.00 4.21 N ATOM 1619 CA ASN A 103 12.548 0.881 -10.556 1.00 22.31 C ATOM 1620 C ASN A 103 13.469 -0.321 -10.774 1.00 72.30 C ATOM 1621 O ASN A 103 14.690 -0.177 -10.794 1.00 23.40 O ATOM 1622 CB ASN A 103 12.163 0.921 -9.076 1.00 0.14 C ATOM 1623 CG ASN A 103 13.394 0.742 -8.185 1.00 54.24 C ATOM 1624 OD1 ASN A 103 14.388 1.437 -8.308 1.00 3.22 O ATOM 1625 ND2 ASN A 103 13.272 -0.228 -7.282 1.00 60.01 N ATOM 0 H ASN A 103 10.500 0.589 -10.893 1.00 4.21 H new ATOM 0 HA ASN A 103 13.048 1.812 -10.823 1.00 22.31 H new ATOM 0 HB2 ASN A 103 11.679 1.871 -8.848 1.00 0.14 H new ATOM 0 HB3 ASN A 103 11.438 0.135 -8.864 1.00 0.14 H new ATOM 0 HD21 ASN A 103 14.039 -0.426 -6.640 1.00 60.01 H new ATOM 0 HD22 ASN A 103 12.411 -0.773 -7.232 1.00 60.01 H new ATOM 1632 N GLU A 104 12.848 -1.481 -10.930 1.00 33.11 N ATOM 1633 CA GLU A 104 13.596 -2.707 -11.144 1.00 43.24 C ATOM 1634 C GLU A 104 14.392 -2.623 -12.449 1.00 2.51 C ATOM 1635 O GLU A 104 13.832 -2.773 -13.534 1.00 22.34 O ATOM 1636 CB GLU A 104 12.667 -3.923 -11.148 1.00 32.13 C ATOM 1637 CG GLU A 104 12.550 -4.527 -9.748 1.00 20.34 C ATOM 1638 CD GLU A 104 12.254 -6.027 -9.820 1.00 3.30 C ATOM 1639 OE1 GLU A 104 11.089 -6.423 -9.968 1.00 3.03 O ATOM 1640 OE2 GLU A 104 13.289 -6.792 -9.718 1.00 64.02 O1- ATOM 0 H GLU A 104 11.835 -1.597 -10.912 1.00 33.11 H new ATOM 0 HA GLU A 104 14.298 -2.829 -10.319 1.00 43.24 H new ATOM 0 HB2 GLU A 104 11.680 -3.630 -11.505 1.00 32.13 H new ATOM 0 HB3 GLU A 104 13.047 -4.673 -11.841 1.00 32.13 H new ATOM 0 HG2 GLU A 104 13.477 -4.362 -9.198 1.00 20.34 H new ATOM 0 HG3 GLU A 104 11.757 -4.022 -9.196 1.00 20.34 H new