USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1346 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 71 TYR OH : rot 65:sc= 1.98 USER MOD Set 1.2: B 10 LYS NZ :NH3+ -121:sc= 0.346 (180deg=-0.936!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= 1.09 (180deg=0.99) USER MOD Single : A 15 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.896) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 70:sc= 0.771 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0897) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.07 (180deg=0.777) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 77:sc= 0.944 USER MOD Single : A 39 ASN : amide:sc= 0.912 K(o=0.91,f=-0.74) USER MOD Single : A 42 SER OG : rot 80:sc= 1.22 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 146:sc= 1.27 (180deg=0.726) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.15 K(o=1.2,f=-0.078) USER MOD Single : A 57 LYS NZ :NH3+ 132:sc= -1.69! (180deg=-2.15!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.861) USER MOD Single : A 73 SER OG : rot 71:sc= 1.25 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= -0.0516 (180deg=-0.35) USER MOD Single : A 84 THR OG1 : rot 77:sc= 1.22 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 137:sc= 1.27 (180deg=0.602) USER MOD Single : B 16 LYS NZ :NH3+ -111:sc= 1.25 (180deg=0.203) USER MOD Single : B 19 SER OG : rot 89:sc= 1.23 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 LYS NZ :NH3+ 157:sc= 0.822 (180deg=-0.536!) USER MOD Single : B 35 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.217) USER MOD Single : B 37 SER OG : rot 75:sc= 0.642 USER MOD Single : B 39 ASN : amide:sc= 1.12 K(o=1.1,f=-0.37) USER MOD Single : B 42 SER OG : rot 73:sc= 1.27 USER MOD Single : B 44 LYS NZ :NH3+ 144:sc= 1.93 (180deg=-0.577) USER MOD Single : B 46 LYS NZ :NH3+ -139:sc= 0.0998 (180deg=-0.0415) USER MOD Single : B 47 THR OG1 : rot 87:sc= 0.997 USER MOD Single : B 50 GLN :FLIP amide:sc= -0.113 F(o=-1.3!,f=-0.11) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= 0.973 K(o=0.97,f=0) USER MOD Single : B 57 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.565) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 66:sc= 1.25 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -116:sc= 1.27 (180deg=-0.639) USER MOD Single : B 71 TYR OH : rot 180:sc= -0.0116 USER MOD Single : B 73 SER OG : rot 73:sc= 1.21 USER MOD Single : B 76 SER OG : rot 180:sc= 0.0473 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 165:sc= -0.0239 (180deg=-0.243) USER MOD Single : B 84 THR OG1 : rot 63:sc= 1.28 USER MOD Single : B 86 SER OG : rot 72:sc= 0.56 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -20.731 15.489 -6.986 1.00 1.91 N ATOM 78 CA GLN A 6 -20.391 14.100 -7.256 1.00 1.87 C ATOM 79 C GLN A 6 -19.151 14.010 -8.146 1.00 1.83 C ATOM 80 O GLN A 6 -18.253 13.208 -7.896 1.00 1.77 O ATOM 81 CB GLN A 6 -21.576 13.403 -7.929 1.00 1.89 C ATOM 82 CG GLN A 6 -21.315 11.952 -8.297 1.00 1.95 C ATOM 83 CD GLN A 6 -22.400 11.386 -9.192 1.00 1.96 C ATOM 84 OE1 GLN A 6 -22.344 11.516 -10.412 1.00 2.22 O ATOM 85 NE2 GLN A 6 -23.397 10.755 -8.588 1.00 2.13 N ATOM 0 HA GLN A 6 -20.169 13.603 -6.312 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.437 13.448 -7.262 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -21.843 13.953 -8.831 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -20.352 11.874 -8.802 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -21.247 11.354 -7.388 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -23.405 10.669 -7.572 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -24.156 10.355 -9.140 1.00 2.13 H new ATOM 94 N THR A 7 -19.095 14.861 -9.165 1.00 1.86 N ATOM 95 CA THR A 7 -17.972 14.861 -10.095 1.00 1.83 C ATOM 96 C THR A 7 -16.687 15.363 -9.438 1.00 1.79 C ATOM 97 O THR A 7 -15.628 14.744 -9.573 1.00 1.71 O ATOM 98 CB THR A 7 -18.278 15.710 -11.345 1.00 1.88 C ATOM 99 OG1 THR A 7 -19.245 16.723 -11.032 1.00 2.15 O ATOM 100 CG2 THR A 7 -18.803 14.834 -12.473 1.00 1.95 C ATOM 0 H THR A 7 -19.812 15.558 -9.367 1.00 1.86 H new ATOM 0 HA THR A 7 -17.821 13.825 -10.398 1.00 1.83 H new ATOM 0 HB THR A 7 -17.352 16.185 -11.670 1.00 1.88 H new ATOM 0 HG1 THR A 7 -19.430 17.257 -11.833 1.00 2.15 H new ATOM 0 HG21 THR A 7 -19.013 15.452 -13.346 1.00 1.95 H new ATOM 0 HG22 THR A 7 -18.054 14.085 -12.730 1.00 1.95 H new ATOM 0 HG23 THR A 7 -19.718 14.337 -12.152 1.00 1.95 H new ATOM 108 N ARG A 8 -16.787 16.474 -8.713 1.00 1.84 N ATOM 109 CA ARG A 8 -15.628 17.055 -8.041 1.00 1.82 C ATOM 110 C ARG A 8 -15.072 16.097 -6.990 1.00 1.75 C ATOM 111 O ARG A 8 -13.858 15.956 -6.842 1.00 1.69 O ATOM 112 CB ARG A 8 -15.997 18.392 -7.392 1.00 1.94 C ATOM 113 CG ARG A 8 -14.798 19.166 -6.852 1.00 2.03 C ATOM 114 CD ARG A 8 -13.819 19.534 -7.963 1.00 2.06 C ATOM 115 NE ARG A 8 -14.442 20.380 -8.984 1.00 2.06 N ATOM 116 CZ ARG A 8 -14.326 20.183 -10.300 1.00 2.08 C ATOM 117 NH1 ARG A 8 -13.589 19.184 -10.770 1.00 2.10 N ATOM 118 NH2 ARG A 8 -14.949 20.995 -11.143 1.00 2.22 N ATOM 0 H ARG A 8 -17.657 16.989 -8.576 1.00 1.84 H new ATOM 0 HA ARG A 8 -14.857 17.230 -8.791 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -16.516 19.010 -8.125 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -16.697 18.209 -6.576 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.143 20.073 -6.356 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -14.286 18.566 -6.099 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -12.962 20.054 -7.534 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -13.439 18.624 -8.428 1.00 2.06 H new ATOM 0 HE ARG A 8 -15.002 21.172 -8.669 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -13.106 18.559 -10.125 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -13.506 19.041 -11.777 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -15.514 21.766 -10.786 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -14.864 20.849 -12.149 1.00 2.22 H new ATOM 132 N ASN A 9 -15.971 15.432 -6.275 1.00 1.76 N ATOM 133 CA ASN A 9 -15.578 14.486 -5.234 1.00 1.72 C ATOM 134 C ASN A 9 -14.873 13.278 -5.839 1.00 1.61 C ATOM 135 O ASN A 9 -13.837 12.836 -5.340 1.00 1.56 O ATOM 136 CB ASN A 9 -16.810 14.037 -4.436 1.00 1.78 C ATOM 137 CG ASN A 9 -16.568 12.779 -3.615 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.850 11.669 -4.068 1.00 1.75 O ATOM 139 ND2 ASN A 9 -16.061 12.941 -2.401 1.00 1.84 N ATOM 0 H ASN A 9 -16.979 15.529 -6.396 1.00 1.76 H new ATOM 0 HA ASN A 9 -14.882 14.986 -4.560 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -17.117 14.844 -3.770 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -17.636 13.860 -5.125 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -15.892 12.130 -1.807 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -15.840 13.877 -2.061 1.00 1.84 H new ATOM 146 N LYS A 10 -15.428 12.771 -6.933 1.00 1.60 N ATOM 147 CA LYS A 10 -14.876 11.610 -7.618 1.00 1.52 C ATOM 148 C LYS A 10 -13.448 11.866 -8.090 1.00 1.47 C ATOM 149 O LYS A 10 -12.568 11.023 -7.912 1.00 1.41 O ATOM 150 CB LYS A 10 -15.764 11.246 -8.811 1.00 1.53 C ATOM 151 CG LYS A 10 -15.537 9.840 -9.338 1.00 1.59 C ATOM 152 CD LYS A 10 -15.354 8.852 -8.201 1.00 1.70 C ATOM 153 CE LYS A 10 -15.806 7.458 -8.586 1.00 2.07 C ATOM 154 NZ LYS A 10 -17.287 7.352 -8.666 1.00 2.48 N ATOM 0 H LYS A 10 -16.269 13.151 -7.368 1.00 1.60 H new ATOM 0 HA LYS A 10 -14.850 10.780 -6.912 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -16.809 11.350 -8.519 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -15.585 11.959 -9.616 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -16.385 9.538 -9.953 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -14.656 9.827 -9.980 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -14.304 8.825 -7.908 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -15.919 9.190 -7.332 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -15.371 7.189 -9.549 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -15.431 6.741 -7.856 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -17.560 6.352 -8.747 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -17.711 7.758 -7.808 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -17.628 7.872 -9.500 1.00 2.48 H new ATOM 168 N GLU A 11 -13.227 13.027 -8.687 1.00 1.52 N ATOM 169 CA GLU A 11 -11.907 13.388 -9.186 1.00 1.50 C ATOM 170 C GLU A 11 -10.906 13.522 -8.039 1.00 1.45 C ATOM 171 O GLU A 11 -9.751 13.111 -8.157 1.00 1.38 O ATOM 172 CB GLU A 11 -11.986 14.701 -9.967 1.00 1.58 C ATOM 173 CG GLU A 11 -10.636 15.232 -10.427 1.00 1.63 C ATOM 174 CD GLU A 11 -10.512 16.732 -10.256 1.00 1.77 C ATOM 175 OE1 GLU A 11 -11.497 17.448 -10.532 1.00 1.96 O ATOM 176 OE2 GLU A 11 -9.426 17.203 -9.856 1.00 1.90 O ATOM 0 H GLU A 11 -13.944 13.736 -8.838 1.00 1.52 H new ATOM 0 HA GLU A 11 -11.563 12.594 -9.849 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -12.623 14.555 -10.839 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.467 15.454 -9.343 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -9.844 14.739 -9.863 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -10.487 14.976 -11.476 1.00 1.63 H new ATOM 183 N LEU A 12 -11.371 14.076 -6.930 1.00 1.51 N ATOM 184 CA LEU A 12 -10.532 14.297 -5.759 1.00 1.50 C ATOM 185 C LEU A 12 -9.939 12.997 -5.207 1.00 1.40 C ATOM 186 O LEU A 12 -8.719 12.836 -5.176 1.00 1.33 O ATOM 187 CB LEU A 12 -11.348 15.008 -4.675 1.00 1.62 C ATOM 188 CG LEU A 12 -10.602 15.317 -3.378 1.00 1.65 C ATOM 189 CD1 LEU A 12 -9.442 16.267 -3.632 1.00 1.69 C ATOM 190 CD2 LEU A 12 -11.555 15.905 -2.348 1.00 1.82 C ATOM 0 H LEU A 12 -12.336 14.385 -6.815 1.00 1.51 H new ATOM 0 HA LEU A 12 -9.693 14.921 -6.067 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -11.726 15.944 -5.086 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -12.215 14.392 -4.436 1.00 1.62 H new ATOM 0 HG LEU A 12 -10.196 14.384 -2.987 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -8.927 16.471 -2.693 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -8.746 15.811 -4.336 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -9.821 17.200 -4.049 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -11.010 16.120 -1.429 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -11.988 16.826 -2.737 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -12.351 15.190 -2.139 1.00 1.82 H new ATOM 202 N LEU A 13 -10.794 12.065 -4.801 1.00 1.41 N ATOM 203 CA LEU A 13 -10.328 10.803 -4.221 1.00 1.35 C ATOM 204 C LEU A 13 -9.511 9.974 -5.210 1.00 1.23 C ATOM 205 O LEU A 13 -8.525 9.343 -4.828 1.00 1.18 O ATOM 206 CB LEU A 13 -11.502 9.984 -3.666 1.00 1.43 C ATOM 207 CG LEU A 13 -12.738 9.875 -4.562 1.00 1.43 C ATOM 208 CD1 LEU A 13 -12.685 8.610 -5.396 1.00 1.81 C ATOM 209 CD2 LEU A 13 -14.003 9.900 -3.720 1.00 1.76 C ATOM 0 H LEU A 13 -11.808 12.155 -4.861 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.665 11.063 -3.396 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -11.145 8.977 -3.452 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.806 10.423 -2.716 1.00 1.43 H new ATOM 0 HG LEU A 13 -12.750 10.731 -5.237 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -13.573 8.552 -6.026 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -11.795 8.626 -6.025 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -12.649 7.742 -4.738 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -14.874 9.822 -4.370 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -13.993 9.061 -3.024 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -14.050 10.835 -3.161 1.00 1.76 H new ATOM 221 N LEU A 14 -9.907 9.984 -6.477 1.00 1.21 N ATOM 222 CA LEU A 14 -9.198 9.225 -7.503 1.00 1.13 C ATOM 223 C LEU A 14 -7.789 9.777 -7.704 1.00 1.11 C ATOM 224 O LEU A 14 -6.835 9.023 -7.904 1.00 1.04 O ATOM 225 CB LEU A 14 -9.976 9.254 -8.824 1.00 1.16 C ATOM 226 CG LEU A 14 -9.398 8.382 -9.942 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.504 6.906 -9.592 1.00 1.11 C ATOM 228 CD2 LEU A 14 -10.102 8.668 -11.256 1.00 1.23 C ATOM 0 H LEU A 14 -10.713 10.507 -6.819 1.00 1.21 H new ATOM 0 HA LEU A 14 -9.118 8.190 -7.169 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -11.001 8.936 -8.630 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -10.023 10.284 -9.177 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.342 8.629 -10.052 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.086 6.309 -10.403 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -8.950 6.709 -8.674 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.551 6.640 -9.448 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -9.679 8.040 -12.040 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.166 8.453 -11.153 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -9.968 9.717 -11.520 1.00 1.23 H new ATOM 240 N LYS A 15 -7.669 11.096 -7.642 1.00 1.19 N ATOM 241 CA LYS A 15 -6.385 11.757 -7.814 1.00 1.19 C ATOM 242 C LYS A 15 -5.477 11.487 -6.616 1.00 1.14 C ATOM 243 O LYS A 15 -4.280 11.243 -6.775 1.00 1.09 O ATOM 244 CB LYS A 15 -6.590 13.265 -7.995 1.00 1.32 C ATOM 245 CG LYS A 15 -5.408 13.981 -8.635 1.00 1.56 C ATOM 246 CD LYS A 15 -5.770 15.406 -9.041 1.00 1.68 C ATOM 247 CE LYS A 15 -6.493 15.439 -10.378 1.00 1.70 C ATOM 248 NZ LYS A 15 -6.966 16.807 -10.723 1.00 1.93 N ATOM 0 H LYS A 15 -8.449 11.731 -7.473 1.00 1.19 H new ATOM 0 HA LYS A 15 -5.905 11.356 -8.707 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -7.476 13.429 -8.608 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -6.789 13.713 -7.021 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -4.572 14.002 -7.936 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -5.076 13.425 -9.512 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -6.401 15.855 -8.274 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -4.864 16.009 -9.101 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -5.825 15.079 -11.160 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -7.344 14.758 -10.347 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -7.220 16.842 -11.731 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -7.800 17.042 -10.147 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -6.209 17.494 -10.533 1.00 1.93 H new ATOM 262 N LYS A 16 -6.055 11.512 -5.416 1.00 1.17 N ATOM 263 CA LYS A 16 -5.286 11.272 -4.197 1.00 1.16 C ATOM 264 C LYS A 16 -4.772 9.832 -4.150 1.00 1.04 C ATOM 265 O LYS A 16 -3.663 9.574 -3.678 1.00 1.05 O ATOM 266 CB LYS A 16 -6.124 11.569 -2.949 1.00 1.26 C ATOM 267 CG LYS A 16 -6.700 12.979 -2.900 1.00 1.32 C ATOM 268 CD LYS A 16 -5.644 14.053 -3.124 1.00 1.30 C ATOM 269 CE LYS A 16 -4.604 14.078 -2.009 1.00 1.50 C ATOM 270 NZ LYS A 16 -3.714 15.268 -2.107 1.00 1.62 N ATOM 0 H LYS A 16 -7.047 11.695 -5.263 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.431 11.948 -4.210 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -6.944 10.852 -2.897 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.506 11.411 -2.065 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -7.478 13.076 -3.658 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -7.176 13.139 -1.933 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -5.147 13.878 -4.078 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -6.127 15.028 -3.190 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -5.108 14.080 -1.042 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -4.003 13.170 -2.053 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -3.021 15.248 -1.332 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -3.214 15.253 -3.019 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -4.285 16.135 -2.039 1.00 1.62 H new ATOM 284 N ILE A 17 -5.583 8.902 -4.645 1.00 0.96 N ATOM 285 CA ILE A 17 -5.210 7.491 -4.671 1.00 0.88 C ATOM 286 C ILE A 17 -4.029 7.269 -5.614 1.00 0.85 C ATOM 287 O ILE A 17 -3.114 6.497 -5.315 1.00 0.83 O ATOM 288 CB ILE A 17 -6.413 6.605 -5.078 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.400 6.516 -3.913 1.00 1.01 C ATOM 290 CG2 ILE A 17 -5.961 5.214 -5.502 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.758 5.973 -4.298 1.00 1.02 C ATOM 0 H ILE A 17 -6.505 9.100 -5.034 1.00 0.96 H new ATOM 0 HA ILE A 17 -4.908 7.200 -3.665 1.00 0.88 H new ATOM 0 HB ILE A 17 -6.905 7.064 -5.935 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -6.973 5.882 -3.136 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -7.526 7.508 -3.480 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -6.830 4.618 -5.781 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -5.287 5.295 -6.355 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.442 4.732 -4.674 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -9.400 5.941 -3.418 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -9.208 6.619 -5.052 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -8.646 4.967 -4.702 1.00 1.02 H new ATOM 303 N ASP A 18 -4.046 7.965 -6.748 1.00 0.90 N ATOM 304 CA ASP A 18 -2.963 7.867 -7.724 1.00 0.93 C ATOM 305 C ASP A 18 -1.667 8.390 -7.114 1.00 0.93 C ATOM 306 O ASP A 18 -0.571 7.934 -7.445 1.00 0.93 O ATOM 307 CB ASP A 18 -3.308 8.667 -8.987 1.00 1.04 C ATOM 308 CG ASP A 18 -2.213 8.598 -10.037 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.188 7.618 -10.814 1.00 1.66 O ATOM 310 OD2 ASP A 18 -1.386 9.532 -10.103 1.00 1.62 O ATOM 0 H ASP A 18 -4.797 8.602 -7.014 1.00 0.90 H new ATOM 0 HA ASP A 18 -2.833 6.820 -7.999 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.238 8.287 -9.411 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -3.483 9.708 -8.717 1.00 1.04 H new ATOM 315 N SER A 19 -1.804 9.333 -6.191 1.00 0.99 N ATOM 316 CA SER A 19 -0.656 9.922 -5.520 1.00 1.03 C ATOM 317 C SER A 19 -0.017 8.938 -4.538 1.00 0.96 C ATOM 318 O SER A 19 1.200 8.957 -4.341 1.00 0.96 O ATOM 319 CB SER A 19 -1.077 11.195 -4.786 1.00 1.17 C ATOM 320 OG SER A 19 -1.790 12.064 -5.649 1.00 1.28 O ATOM 0 H SER A 19 -2.704 9.707 -5.890 1.00 0.99 H new ATOM 0 HA SER A 19 0.087 10.169 -6.278 1.00 1.03 H new ATOM 0 HB2 SER A 19 -1.699 10.937 -3.929 1.00 1.17 H new ATOM 0 HB3 SER A 19 -0.195 11.704 -4.398 1.00 1.17 H new ATOM 0 HG SER A 19 -2.666 11.675 -5.855 1.00 1.28 H new ATOM 326 N LEU A 20 -0.834 8.071 -3.933 1.00 0.92 N ATOM 327 CA LEU A 20 -0.327 7.097 -2.966 1.00 0.90 C ATOM 328 C LEU A 20 0.562 6.058 -3.663 1.00 0.84 C ATOM 329 O LEU A 20 1.667 5.774 -3.199 1.00 0.86 O ATOM 330 CB LEU A 20 -1.487 6.442 -2.169 1.00 0.92 C ATOM 331 CG LEU A 20 -1.935 5.042 -2.607 1.00 1.01 C ATOM 332 CD1 LEU A 20 -1.095 3.950 -1.952 1.00 1.37 C ATOM 333 CD2 LEU A 20 -3.407 4.841 -2.302 1.00 1.14 C ATOM 0 H LEU A 20 -1.840 8.024 -4.094 1.00 0.92 H new ATOM 0 HA LEU A 20 0.294 7.620 -2.239 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -1.190 6.389 -1.122 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -2.350 7.105 -2.222 1.00 0.92 H new ATOM 0 HG LEU A 20 -1.785 4.966 -3.684 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -1.443 2.973 -2.287 1.00 1.37 H new ATOM 0 HD12 LEU A 20 -0.049 4.078 -2.232 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -1.192 4.017 -0.868 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -3.711 3.843 -2.618 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -3.575 4.949 -1.230 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -3.995 5.586 -2.838 1.00 1.14 H new ATOM 345 N ILE A 21 0.111 5.518 -4.797 1.00 0.80 N ATOM 346 CA ILE A 21 0.912 4.524 -5.514 1.00 0.79 C ATOM 347 C ILE A 21 2.157 5.174 -6.109 1.00 0.81 C ATOM 348 O ILE A 21 3.207 4.545 -6.218 1.00 0.83 O ATOM 349 CB ILE A 21 0.119 3.799 -6.621 1.00 0.81 C ATOM 350 CG1 ILE A 21 -0.659 4.795 -7.479 1.00 1.06 C ATOM 351 CG2 ILE A 21 -0.818 2.771 -6.003 1.00 1.04 C ATOM 352 CD1 ILE A 21 -1.316 4.168 -8.685 1.00 1.23 C ATOM 0 H ILE A 21 -0.784 5.745 -5.231 1.00 0.80 H new ATOM 0 HA ILE A 21 1.202 3.771 -4.781 1.00 0.79 H new ATOM 0 HB ILE A 21 0.825 3.283 -7.271 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -1.424 5.271 -6.865 1.00 1.06 H new ATOM 0 HG13 ILE A 21 0.018 5.582 -7.812 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -1.374 2.264 -6.792 1.00 1.04 H new ATOM 0 HG22 ILE A 21 -0.236 2.040 -5.442 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -1.516 3.272 -5.332 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -1.850 4.934 -9.247 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -0.554 3.716 -9.320 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -2.018 3.401 -8.359 1.00 1.23 H new ATOM 364 N GLU A 22 2.030 6.446 -6.478 1.00 0.84 N ATOM 365 CA GLU A 22 3.141 7.205 -7.040 1.00 0.90 C ATOM 366 C GLU A 22 4.217 7.431 -5.978 1.00 0.90 C ATOM 367 O GLU A 22 5.414 7.276 -6.241 1.00 0.93 O ATOM 368 CB GLU A 22 2.635 8.552 -7.568 1.00 0.98 C ATOM 369 CG GLU A 22 3.730 9.441 -8.135 1.00 1.29 C ATOM 370 CD GLU A 22 3.288 10.882 -8.291 1.00 1.78 C ATOM 371 OE1 GLU A 22 2.497 11.169 -9.211 1.00 2.22 O ATOM 372 OE2 GLU A 22 3.721 11.738 -7.491 1.00 2.29 O ATOM 0 H GLU A 22 1.162 6.975 -6.397 1.00 0.84 H new ATOM 0 HA GLU A 22 3.576 6.638 -7.864 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.890 8.371 -8.343 1.00 0.98 H new ATOM 0 HB3 GLU A 22 2.132 9.082 -6.760 1.00 0.98 H new ATOM 0 HG2 GLU A 22 4.601 9.401 -7.481 1.00 1.29 H new ATOM 0 HG3 GLU A 22 4.042 9.053 -9.105 1.00 1.29 H new ATOM 379 N ALA A 23 3.770 7.787 -4.780 1.00 0.89 N ATOM 380 CA ALA A 23 4.665 8.050 -3.661 1.00 0.92 C ATOM 381 C ALA A 23 5.439 6.802 -3.252 1.00 0.88 C ATOM 382 O ALA A 23 6.665 6.824 -3.191 1.00 0.89 O ATOM 383 CB ALA A 23 3.873 8.593 -2.480 1.00 0.94 C ATOM 0 H ALA A 23 2.781 7.901 -4.558 1.00 0.89 H new ATOM 0 HA ALA A 23 5.393 8.796 -3.981 1.00 0.92 H new ATOM 0 HB1 ALA A 23 4.549 8.787 -1.647 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.378 9.520 -2.769 1.00 0.94 H new ATOM 0 HB3 ALA A 23 3.124 7.861 -2.177 1.00 0.94 H new ATOM 389 N ILE A 24 4.718 5.713 -2.983 1.00 0.86 N ATOM 390 CA ILE A 24 5.349 4.463 -2.571 1.00 0.85 C ATOM 391 C ILE A 24 6.338 3.968 -3.624 1.00 0.83 C ATOM 392 O ILE A 24 7.450 3.546 -3.293 1.00 0.83 O ATOM 393 CB ILE A 24 4.297 3.367 -2.269 1.00 0.87 C ATOM 394 CG1 ILE A 24 3.669 3.624 -0.901 1.00 1.12 C ATOM 395 CG2 ILE A 24 4.919 1.972 -2.303 1.00 1.03 C ATOM 396 CD1 ILE A 24 2.359 2.906 -0.682 1.00 1.05 C ATOM 0 H ILE A 24 3.701 5.673 -3.043 1.00 0.86 H new ATOM 0 HA ILE A 24 5.898 4.670 -1.652 1.00 0.85 H new ATOM 0 HB ILE A 24 3.529 3.409 -3.041 1.00 0.87 H new ATOM 0 HG12 ILE A 24 4.373 3.319 -0.127 1.00 1.12 H new ATOM 0 HG13 ILE A 24 3.509 4.696 -0.782 1.00 1.12 H new ATOM 0 HG21 ILE A 24 4.153 1.227 -2.087 1.00 1.03 H new ATOM 0 HG22 ILE A 24 5.339 1.785 -3.291 1.00 1.03 H new ATOM 0 HG23 ILE A 24 5.709 1.908 -1.555 1.00 1.03 H new ATOM 0 HD11 ILE A 24 1.978 3.140 0.312 1.00 1.05 H new ATOM 0 HD12 ILE A 24 1.637 3.229 -1.433 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.515 1.831 -0.767 1.00 1.05 H new ATOM 408 N LYS A 25 5.940 4.042 -4.892 1.00 0.83 N ATOM 409 CA LYS A 25 6.795 3.610 -5.992 1.00 0.84 C ATOM 410 C LYS A 25 8.094 4.415 -6.016 1.00 0.86 C ATOM 411 O LYS A 25 9.156 3.900 -6.371 1.00 0.86 O ATOM 412 CB LYS A 25 6.059 3.768 -7.325 1.00 0.88 C ATOM 413 CG LYS A 25 6.915 3.460 -8.543 1.00 0.96 C ATOM 414 CD LYS A 25 7.143 1.964 -8.708 1.00 1.13 C ATOM 415 CE LYS A 25 8.380 1.684 -9.545 1.00 1.39 C ATOM 416 NZ LYS A 25 8.338 2.389 -10.852 1.00 1.61 N ATOM 0 H LYS A 25 5.029 4.398 -5.182 1.00 0.83 H new ATOM 0 HA LYS A 25 7.041 2.559 -5.842 1.00 0.84 H new ATOM 0 HB2 LYS A 25 5.190 3.110 -7.329 1.00 0.88 H new ATOM 0 HB3 LYS A 25 5.687 4.789 -7.404 1.00 0.88 H new ATOM 0 HG2 LYS A 25 6.432 3.855 -9.437 1.00 0.96 H new ATOM 0 HG3 LYS A 25 7.876 3.966 -8.450 1.00 0.96 H new ATOM 0 HD2 LYS A 25 7.252 1.500 -7.728 1.00 1.13 H new ATOM 0 HD3 LYS A 25 6.271 1.511 -9.180 1.00 1.13 H new ATOM 0 HE2 LYS A 25 9.268 1.994 -8.994 1.00 1.39 H new ATOM 0 HE3 LYS A 25 8.468 0.611 -9.714 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 9.098 2.031 -11.464 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 7.418 2.221 -11.308 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 8.468 3.410 -10.700 1.00 1.61 H new ATOM 430 N LYS A 26 8.000 5.675 -5.627 1.00 0.87 N ATOM 431 CA LYS A 26 9.157 6.547 -5.601 1.00 0.91 C ATOM 432 C LYS A 26 10.056 6.207 -4.419 1.00 0.90 C ATOM 433 O LYS A 26 11.271 6.104 -4.566 1.00 0.91 O ATOM 434 CB LYS A 26 8.718 8.014 -5.523 1.00 0.97 C ATOM 435 CG LYS A 26 9.401 8.914 -6.544 1.00 1.07 C ATOM 436 CD LYS A 26 10.881 9.091 -6.244 1.00 1.21 C ATOM 437 CE LYS A 26 11.570 9.928 -7.312 1.00 1.35 C ATOM 438 NZ LYS A 26 13.023 10.088 -7.044 1.00 1.42 N ATOM 0 H LYS A 26 7.131 6.116 -5.325 1.00 0.87 H new ATOM 0 HA LYS A 26 9.720 6.397 -6.522 1.00 0.91 H new ATOM 0 HB2 LYS A 26 7.639 8.069 -5.668 1.00 0.97 H new ATOM 0 HB3 LYS A 26 8.925 8.393 -4.522 1.00 0.97 H new ATOM 0 HG2 LYS A 26 9.281 8.489 -7.540 1.00 1.07 H new ATOM 0 HG3 LYS A 26 8.913 9.889 -6.552 1.00 1.07 H new ATOM 0 HD2 LYS A 26 11.002 9.569 -5.272 1.00 1.21 H new ATOM 0 HD3 LYS A 26 11.360 8.114 -6.181 1.00 1.21 H new ATOM 0 HE2 LYS A 26 11.431 9.459 -8.286 1.00 1.35 H new ATOM 0 HE3 LYS A 26 11.100 10.910 -7.361 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 13.478 10.546 -7.859 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 13.157 10.676 -6.197 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.452 9.154 -6.888 1.00 1.42 H new ATOM 452 N ILE A 27 9.448 6.004 -3.256 1.00 0.88 N ATOM 453 CA ILE A 27 10.192 5.693 -2.035 1.00 0.89 C ATOM 454 C ILE A 27 11.020 4.421 -2.180 1.00 0.87 C ATOM 455 O ILE A 27 12.202 4.403 -1.840 1.00 0.90 O ATOM 456 CB ILE A 27 9.246 5.558 -0.819 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.458 6.853 -0.610 1.00 0.90 C ATOM 458 CG2 ILE A 27 10.024 5.199 0.441 1.00 0.93 C ATOM 459 CD1 ILE A 27 9.316 8.101 -0.617 1.00 1.31 C ATOM 0 H ILE A 27 8.437 6.049 -3.130 1.00 0.88 H new ATOM 0 HA ILE A 27 10.872 6.528 -1.866 1.00 0.89 H new ATOM 0 HB ILE A 27 8.543 4.750 -1.024 1.00 0.90 H new ATOM 0 HG12 ILE A 27 7.704 6.938 -1.392 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.927 6.794 0.340 1.00 0.90 H new ATOM 0 HG21 ILE A 27 9.335 5.110 1.281 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.539 4.250 0.292 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.755 5.980 0.652 1.00 0.93 H new ATOM 0 HD11 ILE A 27 8.686 8.977 -0.463 1.00 1.31 H new ATOM 0 HD12 ILE A 27 10.054 8.040 0.183 1.00 1.31 H new ATOM 0 HD13 ILE A 27 9.827 8.186 -1.576 1.00 1.31 H new ATOM 471 N ILE A 28 10.400 3.364 -2.691 1.00 0.83 N ATOM 472 CA ILE A 28 11.098 2.096 -2.878 1.00 0.82 C ATOM 473 C ILE A 28 12.229 2.254 -3.895 1.00 0.83 C ATOM 474 O ILE A 28 13.274 1.615 -3.784 1.00 0.84 O ATOM 475 CB ILE A 28 10.140 0.958 -3.311 1.00 0.82 C ATOM 476 CG1 ILE A 28 10.879 -0.386 -3.343 1.00 0.88 C ATOM 477 CG2 ILE A 28 9.509 1.246 -4.668 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.259 -0.908 -1.971 1.00 1.05 C ATOM 0 H ILE A 28 9.422 3.358 -2.982 1.00 0.83 H new ATOM 0 HA ILE A 28 11.520 1.815 -1.913 1.00 0.82 H new ATOM 0 HB ILE A 28 9.339 0.903 -2.574 1.00 0.82 H new ATOM 0 HG12 ILE A 28 10.250 -1.124 -3.841 1.00 0.88 H new ATOM 0 HG13 ILE A 28 11.782 -0.279 -3.944 1.00 0.88 H new ATOM 0 HG21 ILE A 28 8.843 0.427 -4.941 1.00 0.88 H new ATOM 0 HG22 ILE A 28 8.940 2.174 -4.615 1.00 0.88 H new ATOM 0 HG23 ILE A 28 10.292 1.343 -5.420 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.778 -1.861 -2.075 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.914 -0.190 -1.477 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.359 -1.048 -1.373 1.00 1.05 H new ATOM 490 N ALA A 29 12.008 3.116 -4.882 1.00 0.84 N ATOM 491 CA ALA A 29 13.002 3.363 -5.918 1.00 0.87 C ATOM 492 C ALA A 29 14.243 4.019 -5.324 1.00 0.90 C ATOM 493 O ALA A 29 15.370 3.624 -5.629 1.00 0.93 O ATOM 494 CB ALA A 29 12.420 4.234 -7.018 1.00 0.90 C ATOM 0 H ALA A 29 11.148 3.655 -4.986 1.00 0.84 H new ATOM 0 HA ALA A 29 13.291 2.405 -6.351 1.00 0.87 H new ATOM 0 HB1 ALA A 29 13.177 4.408 -7.783 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.562 3.732 -7.464 1.00 0.90 H new ATOM 0 HB3 ALA A 29 12.103 5.188 -6.597 1.00 0.90 H new ATOM 500 N GLU A 30 14.019 5.006 -4.457 1.00 0.93 N ATOM 501 CA GLU A 30 15.110 5.727 -3.804 1.00 0.99 C ATOM 502 C GLU A 30 16.019 4.763 -3.052 1.00 0.99 C ATOM 503 O GLU A 30 17.243 4.851 -3.152 1.00 1.01 O ATOM 504 CB GLU A 30 14.566 6.772 -2.819 1.00 1.06 C ATOM 505 CG GLU A 30 13.574 7.758 -3.417 1.00 1.10 C ATOM 506 CD GLU A 30 14.140 8.526 -4.596 1.00 1.18 C ATOM 507 OE1 GLU A 30 14.069 8.016 -5.735 1.00 1.25 O ATOM 508 OE2 GLU A 30 14.630 9.654 -4.399 1.00 1.46 O ATOM 0 H GLU A 30 13.088 5.325 -4.190 1.00 0.93 H new ATOM 0 HA GLU A 30 15.681 6.232 -4.584 1.00 0.99 H new ATOM 0 HB2 GLU A 30 14.086 6.253 -1.990 1.00 1.06 H new ATOM 0 HB3 GLU A 30 15.405 7.330 -2.403 1.00 1.06 H new ATOM 0 HG2 GLU A 30 12.682 7.219 -3.736 1.00 1.10 H new ATOM 0 HG3 GLU A 30 13.262 8.463 -2.647 1.00 1.10 H new ATOM 515 N PHE A 31 15.410 3.837 -2.313 1.00 0.97 N ATOM 516 CA PHE A 31 16.157 2.851 -1.535 1.00 1.00 C ATOM 517 C PHE A 31 17.102 2.037 -2.417 1.00 0.97 C ATOM 518 O PHE A 31 18.261 1.832 -2.067 1.00 1.00 O ATOM 519 CB PHE A 31 15.197 1.915 -0.787 1.00 1.02 C ATOM 520 CG PHE A 31 14.827 2.413 0.579 1.00 1.10 C ATOM 521 CD1 PHE A 31 15.684 2.217 1.649 1.00 1.79 C ATOM 522 CD2 PHE A 31 13.628 3.075 0.793 1.00 1.42 C ATOM 523 CE1 PHE A 31 15.354 2.669 2.910 1.00 1.98 C ATOM 524 CE2 PHE A 31 13.293 3.531 2.053 1.00 1.58 C ATOM 525 CZ PHE A 31 14.158 3.328 3.113 1.00 1.54 C ATOM 0 H PHE A 31 14.397 3.749 -2.237 1.00 0.97 H new ATOM 0 HA PHE A 31 16.761 3.396 -0.809 1.00 1.00 H new ATOM 0 HB2 PHE A 31 14.290 1.788 -1.378 1.00 1.02 H new ATOM 0 HB3 PHE A 31 15.658 0.931 -0.695 1.00 1.02 H new ATOM 0 HD1 PHE A 31 16.622 1.704 1.494 1.00 1.79 H new ATOM 0 HD2 PHE A 31 12.950 3.236 -0.032 1.00 1.42 H new ATOM 0 HE1 PHE A 31 16.030 2.508 3.737 1.00 1.98 H new ATOM 0 HE2 PHE A 31 12.357 4.046 2.210 1.00 1.58 H new ATOM 0 HZ PHE A 31 13.898 3.685 4.099 1.00 1.54 H new ATOM 535 N ASP A 32 16.608 1.592 -3.567 1.00 0.93 N ATOM 536 CA ASP A 32 17.418 0.798 -4.490 1.00 0.92 C ATOM 537 C ASP A 32 18.536 1.643 -5.090 1.00 0.92 C ATOM 538 O ASP A 32 19.674 1.190 -5.223 1.00 0.93 O ATOM 539 CB ASP A 32 16.537 0.221 -5.602 1.00 0.94 C ATOM 540 CG ASP A 32 17.326 -0.490 -6.686 1.00 1.15 C ATOM 541 OD1 ASP A 32 17.730 -1.651 -6.473 1.00 1.54 O ATOM 542 OD2 ASP A 32 17.522 0.101 -7.768 1.00 1.45 O ATOM 0 H ASP A 32 15.654 1.766 -3.884 1.00 0.93 H new ATOM 0 HA ASP A 32 17.869 -0.023 -3.933 1.00 0.92 H new ATOM 0 HB2 ASP A 32 15.823 -0.477 -5.165 1.00 0.94 H new ATOM 0 HB3 ASP A 32 15.959 1.027 -6.053 1.00 0.94 H new ATOM 547 N VAL A 33 18.203 2.881 -5.427 1.00 0.93 N ATOM 548 CA VAL A 33 19.169 3.800 -6.011 1.00 0.95 C ATOM 549 C VAL A 33 20.267 4.154 -5.005 1.00 0.96 C ATOM 550 O VAL A 33 21.453 4.070 -5.316 1.00 0.97 O ATOM 551 CB VAL A 33 18.486 5.098 -6.509 1.00 0.99 C ATOM 552 CG1 VAL A 33 19.516 6.127 -6.960 1.00 1.06 C ATOM 553 CG2 VAL A 33 17.517 4.793 -7.637 1.00 0.98 C ATOM 0 H VAL A 33 17.269 3.273 -5.306 1.00 0.93 H new ATOM 0 HA VAL A 33 19.618 3.293 -6.865 1.00 0.95 H new ATOM 0 HB VAL A 33 17.929 5.522 -5.673 1.00 0.99 H new ATOM 0 HG11 VAL A 33 19.005 7.026 -7.304 1.00 1.06 H new ATOM 0 HG12 VAL A 33 20.170 6.378 -6.125 1.00 1.06 H new ATOM 0 HG13 VAL A 33 20.111 5.714 -7.775 1.00 1.06 H new ATOM 0 HG21 VAL A 33 17.047 5.717 -7.973 1.00 0.98 H new ATOM 0 HG22 VAL A 33 18.057 4.337 -8.467 1.00 0.98 H new ATOM 0 HG23 VAL A 33 16.750 4.105 -7.282 1.00 0.98 H new ATOM 563 N VAL A 34 19.864 4.534 -3.800 1.00 0.98 N ATOM 564 CA VAL A 34 20.812 4.896 -2.749 1.00 1.02 C ATOM 565 C VAL A 34 21.710 3.708 -2.395 1.00 1.02 C ATOM 566 O VAL A 34 22.908 3.870 -2.177 1.00 1.04 O ATOM 567 CB VAL A 34 20.084 5.394 -1.476 1.00 1.07 C ATOM 568 CG1 VAL A 34 21.065 5.593 -0.330 1.00 1.14 C ATOM 569 CG2 VAL A 34 19.341 6.689 -1.757 1.00 1.08 C ATOM 0 H VAL A 34 18.885 4.600 -3.523 1.00 0.98 H new ATOM 0 HA VAL A 34 21.428 5.708 -3.135 1.00 1.02 H new ATOM 0 HB VAL A 34 19.363 4.631 -1.183 1.00 1.07 H new ATOM 0 HG11 VAL A 34 20.528 5.943 0.552 1.00 1.14 H new ATOM 0 HG12 VAL A 34 21.557 4.647 -0.104 1.00 1.14 H new ATOM 0 HG13 VAL A 34 21.814 6.332 -0.616 1.00 1.14 H new ATOM 0 HG21 VAL A 34 18.836 7.023 -0.851 1.00 1.08 H new ATOM 0 HG22 VAL A 34 20.049 7.452 -2.080 1.00 1.08 H new ATOM 0 HG23 VAL A 34 18.604 6.523 -2.543 1.00 1.08 H new ATOM 579 N LYS A 35 21.133 2.515 -2.363 1.00 1.00 N ATOM 580 CA LYS A 35 21.882 1.303 -2.041 1.00 1.02 C ATOM 581 C LYS A 35 23.034 1.083 -3.024 1.00 1.01 C ATOM 582 O LYS A 35 24.162 0.797 -2.621 1.00 1.04 O ATOM 583 CB LYS A 35 20.949 0.096 -2.051 1.00 1.02 C ATOM 584 CG LYS A 35 21.642 -1.223 -1.752 1.00 1.06 C ATOM 585 CD LYS A 35 20.678 -2.387 -1.850 1.00 1.23 C ATOM 586 CE LYS A 35 21.381 -3.653 -2.309 1.00 1.45 C ATOM 587 NZ LYS A 35 20.423 -4.755 -2.561 1.00 1.92 N ATOM 0 H LYS A 35 20.144 2.358 -2.557 1.00 1.00 H new ATOM 0 HA LYS A 35 22.308 1.424 -1.045 1.00 1.02 H new ATOM 0 HB2 LYS A 35 20.159 0.254 -1.317 1.00 1.02 H new ATOM 0 HB3 LYS A 35 20.468 0.029 -3.027 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.465 -1.370 -2.451 1.00 1.06 H new ATOM 0 HG3 LYS A 35 22.075 -1.190 -0.752 1.00 1.06 H new ATOM 0 HD2 LYS A 35 20.213 -2.559 -0.879 1.00 1.23 H new ATOM 0 HD3 LYS A 35 19.877 -2.140 -2.547 1.00 1.23 H new ATOM 0 HE2 LYS A 35 21.944 -3.446 -3.219 1.00 1.45 H new ATOM 0 HE3 LYS A 35 22.101 -3.964 -1.552 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 20.941 -5.601 -2.872 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 19.903 -4.970 -1.686 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 19.751 -4.469 -3.302 1.00 1.92 H new ATOM 601 N GLU A 36 22.743 1.210 -4.308 1.00 0.99 N ATOM 602 CA GLU A 36 23.760 1.022 -5.335 1.00 1.00 C ATOM 603 C GLU A 36 24.726 2.205 -5.382 1.00 0.99 C ATOM 604 O GLU A 36 25.920 2.029 -5.630 1.00 1.01 O ATOM 605 CB GLU A 36 23.111 0.819 -6.700 1.00 1.03 C ATOM 606 CG GLU A 36 23.888 -0.121 -7.612 1.00 1.31 C ATOM 607 CD GLU A 36 24.024 -1.515 -7.033 1.00 1.41 C ATOM 608 OE1 GLU A 36 23.057 -2.300 -7.132 1.00 1.71 O ATOM 609 OE2 GLU A 36 25.098 -1.836 -6.479 1.00 1.44 O ATOM 0 H GLU A 36 21.816 1.441 -4.665 1.00 0.99 H new ATOM 0 HA GLU A 36 24.330 0.129 -5.078 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.104 0.425 -6.559 1.00 1.03 H new ATOM 0 HB3 GLU A 36 23.009 1.786 -7.192 1.00 1.03 H new ATOM 0 HG2 GLU A 36 23.387 -0.180 -8.578 1.00 1.31 H new ATOM 0 HG3 GLU A 36 24.881 0.292 -7.792 1.00 1.31 H new ATOM 616 N SER A 37 24.217 3.403 -5.135 1.00 0.00 N ATOM 617 CA SER A 37 25.023 4.620 -5.175 1.00 0.00 C ATOM 618 C SER A 37 26.117 4.579 -4.134 1.00 0.00 C ATOM 619 O SER A 37 27.283 4.902 -4.426 1.00 0.00 O ATOM 620 CB SER A 37 24.132 5.877 -5.017 1.00 0.00 C ATOM 621 OG SER A 37 23.237 6.067 -6.119 1.00 0.00 O ATOM 0 H SER A 37 23.237 3.562 -4.902 1.00 0.00 H new ATOM 0 HA SER A 37 25.504 4.678 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.554 5.794 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 37 24.768 6.757 -4.916 1.00 0.00 H new ATOM 0 HG SER A 37 22.482 5.448 -6.038 1.00 0.00 H new ATOM 627 N VAL A 38 25.801 4.163 -2.905 1.00 1.03 N ATOM 628 CA VAL A 38 26.797 4.088 -1.838 1.00 1.06 C ATOM 629 C VAL A 38 27.749 2.924 -2.074 1.00 1.07 C ATOM 630 O VAL A 38 28.902 2.954 -1.648 1.00 1.09 O ATOM 631 CB VAL A 38 26.167 3.970 -0.429 1.00 1.10 C ATOM 632 CG1 VAL A 38 25.426 5.248 -0.063 1.00 1.12 C ATOM 633 CG2 VAL A 38 25.239 2.767 -0.335 1.00 1.10 C ATOM 0 H VAL A 38 24.863 3.874 -2.626 1.00 1.03 H new ATOM 0 HA VAL A 38 27.348 5.028 -1.868 1.00 1.06 H new ATOM 0 HB VAL A 38 26.977 3.822 0.285 1.00 1.10 H new ATOM 0 HG11 VAL A 38 24.991 5.144 0.931 1.00 1.12 H new ATOM 0 HG12 VAL A 38 26.122 6.087 -0.068 1.00 1.12 H new ATOM 0 HG13 VAL A 38 24.634 5.430 -0.789 1.00 1.12 H new ATOM 0 HG21 VAL A 38 24.813 2.713 0.667 1.00 1.10 H new ATOM 0 HG22 VAL A 38 24.436 2.869 -1.065 1.00 1.10 H new ATOM 0 HG23 VAL A 38 25.802 1.856 -0.539 1.00 1.10 H new ATOM 643 N ASN A 39 27.258 1.900 -2.758 1.00 1.05 N ATOM 644 CA ASN A 39 28.067 0.724 -3.066 1.00 1.08 C ATOM 645 C ASN A 39 29.237 1.109 -3.970 1.00 1.07 C ATOM 646 O ASN A 39 30.388 0.763 -3.699 1.00 1.10 O ATOM 647 CB ASN A 39 27.198 -0.341 -3.736 1.00 1.10 C ATOM 648 CG ASN A 39 27.942 -1.639 -3.994 1.00 1.41 C ATOM 649 OD1 ASN A 39 28.888 -1.983 -3.283 1.00 1.68 O ATOM 650 ND2 ASN A 39 27.504 -2.378 -5.004 1.00 1.72 N ATOM 0 H ASN A 39 26.302 1.858 -3.112 1.00 1.05 H new ATOM 0 HA ASN A 39 28.470 0.316 -2.139 1.00 1.08 H new ATOM 0 HB2 ASN A 39 26.332 -0.544 -3.106 1.00 1.10 H new ATOM 0 HB3 ASN A 39 26.820 0.049 -4.681 1.00 1.10 H new ATOM 0 HD21 ASN A 39 27.954 -3.268 -5.217 1.00 1.72 H new ATOM 0 HD22 ASN A 39 26.717 -2.056 -5.568 1.00 1.72 H new ATOM 657 N GLU A 40 28.938 1.846 -5.030 1.00 1.06 N ATOM 658 CA GLU A 40 29.964 2.294 -5.965 1.00 1.08 C ATOM 659 C GLU A 40 30.815 3.390 -5.326 1.00 1.06 C ATOM 660 O GLU A 40 32.012 3.502 -5.591 1.00 1.09 O ATOM 661 CB GLU A 40 29.323 2.810 -7.255 1.00 1.11 C ATOM 662 CG GLU A 40 28.318 1.848 -7.872 1.00 1.33 C ATOM 663 CD GLU A 40 28.931 0.512 -8.227 1.00 1.77 C ATOM 664 OE1 GLU A 40 28.978 -0.385 -7.357 1.00 2.31 O ATOM 665 OE2 GLU A 40 29.362 0.344 -9.385 1.00 2.13 O ATOM 0 H GLU A 40 27.993 2.148 -5.266 1.00 1.06 H new ATOM 0 HA GLU A 40 30.605 1.447 -6.210 1.00 1.08 H new ATOM 0 HB2 GLU A 40 28.825 3.757 -7.048 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.108 3.015 -7.982 1.00 1.11 H new ATOM 0 HG2 GLU A 40 27.495 1.692 -7.174 1.00 1.33 H new ATOM 0 HG3 GLU A 40 27.894 2.298 -8.769 1.00 1.33 H new ATOM 672 N LEU A 41 30.180 4.181 -4.468 1.00 1.04 N ATOM 673 CA LEU A 41 30.850 5.267 -3.766 1.00 1.05 C ATOM 674 C LEU A 41 31.979 4.722 -2.896 1.00 1.08 C ATOM 675 O LEU A 41 33.072 5.282 -2.858 1.00 1.12 O ATOM 676 CB LEU A 41 29.847 6.028 -2.894 1.00 1.04 C ATOM 677 CG LEU A 41 30.132 7.519 -2.716 1.00 1.04 C ATOM 678 CD1 LEU A 41 29.781 8.287 -3.982 1.00 1.19 C ATOM 679 CD2 LEU A 41 29.363 8.070 -1.526 1.00 1.07 C ATOM 0 H LEU A 41 29.190 4.087 -4.241 1.00 1.04 H new ATOM 0 HA LEU A 41 31.272 5.948 -4.505 1.00 1.05 H new ATOM 0 HB2 LEU A 41 28.854 5.915 -3.329 1.00 1.04 H new ATOM 0 HB3 LEU A 41 29.819 5.561 -1.910 1.00 1.04 H new ATOM 0 HG LEU A 41 31.198 7.644 -2.525 1.00 1.04 H new ATOM 0 HD11 LEU A 41 29.991 9.346 -3.835 1.00 1.19 H new ATOM 0 HD12 LEU A 41 30.378 7.911 -4.813 1.00 1.19 H new ATOM 0 HD13 LEU A 41 28.723 8.155 -4.206 1.00 1.19 H new ATOM 0 HD21 LEU A 41 29.578 9.133 -1.414 1.00 1.07 H new ATOM 0 HD22 LEU A 41 28.294 7.931 -1.688 1.00 1.07 H new ATOM 0 HD23 LEU A 41 29.665 7.542 -0.622 1.00 1.07 H new ATOM 691 N SER A 42 31.703 3.614 -2.215 1.00 1.07 N ATOM 692 CA SER A 42 32.677 2.974 -1.344 1.00 1.12 C ATOM 693 C SER A 42 33.841 2.408 -2.154 1.00 1.16 C ATOM 694 O SER A 42 34.982 2.399 -1.694 1.00 1.20 O ATOM 695 CB SER A 42 32.001 1.863 -0.535 1.00 1.13 C ATOM 696 OG SER A 42 30.872 2.361 0.167 1.00 1.47 O ATOM 0 H SER A 42 30.802 3.138 -2.252 1.00 1.07 H new ATOM 0 HA SER A 42 33.074 3.723 -0.659 1.00 1.12 H new ATOM 0 HB2 SER A 42 31.693 1.058 -1.202 1.00 1.13 H new ATOM 0 HB3 SER A 42 32.714 1.437 0.171 1.00 1.13 H new ATOM 0 HG SER A 42 30.110 2.428 -0.445 1.00 1.47 H new ATOM 702 N GLU A 43 33.547 1.945 -3.366 1.00 1.16 N ATOM 703 CA GLU A 43 34.571 1.391 -4.242 1.00 1.22 C ATOM 704 C GLU A 43 35.614 2.457 -4.573 1.00 1.21 C ATOM 705 O GLU A 43 36.814 2.185 -4.583 1.00 1.25 O ATOM 706 CB GLU A 43 33.939 0.858 -5.527 1.00 1.27 C ATOM 707 CG GLU A 43 34.533 -0.458 -5.997 1.00 1.60 C ATOM 708 CD GLU A 43 34.359 -1.567 -4.977 1.00 1.71 C ATOM 709 OE1 GLU A 43 33.200 -1.907 -4.654 1.00 1.94 O ATOM 710 OE2 GLU A 43 35.380 -2.110 -4.500 1.00 1.98 O ATOM 0 H GLU A 43 32.607 1.943 -3.762 1.00 1.16 H new ATOM 0 HA GLU A 43 35.062 0.566 -3.726 1.00 1.22 H new ATOM 0 HB2 GLU A 43 32.869 0.728 -5.368 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.056 1.602 -6.315 1.00 1.27 H new ATOM 0 HG2 GLU A 43 34.061 -0.753 -6.934 1.00 1.60 H new ATOM 0 HG3 GLU A 43 35.594 -0.321 -6.204 1.00 1.60 H new ATOM 717 N LYS A 44 35.142 3.671 -4.825 1.00 1.18 N ATOM 718 CA LYS A 44 36.024 4.788 -5.141 1.00 1.20 C ATOM 719 C LYS A 44 36.686 5.319 -3.870 1.00 1.20 C ATOM 720 O LYS A 44 37.772 5.887 -3.908 1.00 1.25 O ATOM 721 CB LYS A 44 35.239 5.912 -5.824 1.00 1.22 C ATOM 722 CG LYS A 44 34.714 5.545 -7.207 1.00 1.25 C ATOM 723 CD LYS A 44 35.849 5.239 -8.164 1.00 1.46 C ATOM 724 CE LYS A 44 35.334 4.832 -9.537 1.00 1.75 C ATOM 725 NZ LYS A 44 36.419 4.286 -10.390 1.00 2.12 N ATOM 0 H LYS A 44 34.150 3.908 -4.817 1.00 1.18 H new ATOM 0 HA LYS A 44 36.797 4.432 -5.822 1.00 1.20 H new ATOM 0 HB2 LYS A 44 34.398 6.193 -5.189 1.00 1.22 H new ATOM 0 HB3 LYS A 44 35.880 6.789 -5.910 1.00 1.22 H new ATOM 0 HG2 LYS A 44 34.056 4.679 -7.131 1.00 1.25 H new ATOM 0 HG3 LYS A 44 34.115 6.366 -7.601 1.00 1.25 H new ATOM 0 HD2 LYS A 44 36.490 6.116 -8.261 1.00 1.46 H new ATOM 0 HD3 LYS A 44 36.465 4.438 -7.754 1.00 1.46 H new ATOM 0 HE2 LYS A 44 34.549 4.085 -9.424 1.00 1.75 H new ATOM 0 HE3 LYS A 44 34.885 5.695 -10.028 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 36.031 4.020 -11.317 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 37.157 5.008 -10.518 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 36.831 3.447 -9.933 1.00 2.12 H new ATOM 739 N ALA A 45 36.021 5.108 -2.745 1.00 1.17 N ATOM 740 CA ALA A 45 36.516 5.564 -1.453 1.00 1.18 C ATOM 741 C ALA A 45 37.656 4.688 -0.951 1.00 1.18 C ATOM 742 O ALA A 45 38.414 5.080 -0.070 1.00 1.19 O ATOM 743 CB ALA A 45 35.378 5.588 -0.446 1.00 1.21 C ATOM 0 H ALA A 45 35.127 4.618 -2.700 1.00 1.17 H new ATOM 0 HA ALA A 45 36.909 6.573 -1.575 1.00 1.18 H new ATOM 0 HB1 ALA A 45 35.753 5.930 0.519 1.00 1.21 H new ATOM 0 HB2 ALA A 45 34.599 6.267 -0.793 1.00 1.21 H new ATOM 0 HB3 ALA A 45 34.965 4.585 -0.340 1.00 1.21 H new ATOM 749 N LYS A 46 37.779 3.512 -1.537 1.00 1.21 N ATOM 750 CA LYS A 46 38.819 2.567 -1.159 1.00 1.24 C ATOM 751 C LYS A 46 40.195 3.043 -1.615 1.00 1.24 C ATOM 752 O LYS A 46 41.218 2.529 -1.169 1.00 1.27 O ATOM 753 CB LYS A 46 38.515 1.197 -1.756 1.00 1.32 C ATOM 754 CG LYS A 46 39.312 0.054 -1.143 1.00 1.61 C ATOM 755 CD LYS A 46 38.531 -1.249 -1.181 1.00 2.02 C ATOM 756 CE LYS A 46 37.933 -1.504 -2.557 1.00 2.38 C ATOM 757 NZ LYS A 46 37.183 -2.786 -2.608 1.00 2.75 N ATOM 0 H LYS A 46 37.167 3.184 -2.284 1.00 1.21 H new ATOM 0 HA LYS A 46 38.833 2.495 -0.071 1.00 1.24 H new ATOM 0 HB2 LYS A 46 37.452 0.989 -1.635 1.00 1.32 H new ATOM 0 HB3 LYS A 46 38.713 1.229 -2.827 1.00 1.32 H new ATOM 0 HG2 LYS A 46 40.251 -0.067 -1.683 1.00 1.61 H new ATOM 0 HG3 LYS A 46 39.566 0.298 -0.111 1.00 1.61 H new ATOM 0 HD2 LYS A 46 39.188 -2.076 -0.910 1.00 2.02 H new ATOM 0 HD3 LYS A 46 37.735 -1.218 -0.438 1.00 2.02 H new ATOM 0 HE2 LYS A 46 37.266 -0.683 -2.821 1.00 2.38 H new ATOM 0 HE3 LYS A 46 38.729 -1.520 -3.301 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 36.371 -2.688 -3.251 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 37.809 -3.541 -2.954 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 36.843 -3.027 -1.655 1.00 2.75 H new ATOM 771 N THR A 47 40.215 4.020 -2.513 1.00 1.23 N ATOM 772 CA THR A 47 41.470 4.554 -3.028 1.00 1.26 C ATOM 773 C THR A 47 41.851 5.858 -2.328 1.00 1.21 C ATOM 774 O THR A 47 42.586 6.680 -2.880 1.00 1.30 O ATOM 775 CB THR A 47 41.375 4.780 -4.548 1.00 1.39 C ATOM 776 OG1 THR A 47 40.260 4.038 -5.061 1.00 1.54 O ATOM 777 CG2 THR A 47 42.651 4.316 -5.236 1.00 1.62 C ATOM 0 H THR A 47 39.379 4.458 -2.899 1.00 1.23 H new ATOM 0 HA THR A 47 42.250 3.820 -2.824 1.00 1.26 H new ATOM 0 HB THR A 47 41.240 5.844 -4.743 1.00 1.39 H new ATOM 0 HG1 THR A 47 40.191 4.178 -6.029 1.00 1.54 H new ATOM 0 HG21 THR A 47 42.567 4.483 -6.310 1.00 1.62 H new ATOM 0 HG22 THR A 47 43.500 4.879 -4.847 1.00 1.62 H new ATOM 0 HG23 THR A 47 42.802 3.254 -5.045 1.00 1.62 H new ATOM 785 N ASP A 48 41.342 6.040 -1.115 1.00 1.15 N ATOM 786 CA ASP A 48 41.633 7.237 -0.329 1.00 1.15 C ATOM 787 C ASP A 48 41.362 6.986 1.155 1.00 1.09 C ATOM 788 O ASP A 48 40.307 6.475 1.525 1.00 1.06 O ATOM 789 CB ASP A 48 40.801 8.424 -0.821 1.00 1.24 C ATOM 790 CG ASP A 48 41.162 9.719 -0.116 1.00 1.32 C ATOM 791 OD1 ASP A 48 42.173 10.346 -0.496 1.00 1.50 O ATOM 792 OD2 ASP A 48 40.432 10.117 0.813 1.00 1.41 O ATOM 0 H ASP A 48 40.724 5.373 -0.652 1.00 1.15 H new ATOM 0 HA ASP A 48 42.689 7.476 -0.457 1.00 1.15 H new ATOM 0 HB2 ASP A 48 40.947 8.546 -1.894 1.00 1.24 H new ATOM 0 HB3 ASP A 48 39.743 8.212 -0.665 1.00 1.24 H new ATOM 797 N PRO A 49 42.321 7.338 2.028 1.00 1.12 N ATOM 798 CA PRO A 49 42.187 7.141 3.476 1.00 1.13 C ATOM 799 C PRO A 49 41.053 7.965 4.088 1.00 1.17 C ATOM 800 O PRO A 49 40.329 7.487 4.963 1.00 1.18 O ATOM 801 CB PRO A 49 43.537 7.597 4.035 1.00 1.22 C ATOM 802 CG PRO A 49 44.110 8.485 2.987 1.00 1.25 C ATOM 803 CD PRO A 49 43.611 7.952 1.674 1.00 1.19 C ATOM 0 HA PRO A 49 41.940 6.106 3.712 1.00 1.13 H new ATOM 0 HB2 PRO A 49 43.414 8.129 4.978 1.00 1.22 H new ATOM 0 HB3 PRO A 49 44.190 6.747 4.232 1.00 1.22 H new ATOM 0 HG2 PRO A 49 43.793 9.517 3.135 1.00 1.25 H new ATOM 0 HG3 PRO A 49 45.199 8.478 3.022 1.00 1.25 H new ATOM 0 HD2 PRO A 49 43.490 8.746 0.937 1.00 1.19 H new ATOM 0 HD3 PRO A 49 44.300 7.223 1.247 1.00 1.19 H new ATOM 811 N GLN A 50 40.897 9.199 3.619 1.00 1.23 N ATOM 812 CA GLN A 50 39.853 10.076 4.130 1.00 1.30 C ATOM 813 C GLN A 50 38.493 9.602 3.642 1.00 1.21 C ATOM 814 O GLN A 50 37.505 9.670 4.368 1.00 1.22 O ATOM 815 CB GLN A 50 40.087 11.524 3.690 1.00 1.43 C ATOM 816 CG GLN A 50 41.077 12.287 4.554 1.00 1.59 C ATOM 817 CD GLN A 50 42.471 11.695 4.517 1.00 1.77 C ATOM 818 OE1 GLN A 50 42.850 10.907 5.385 1.00 2.00 O ATOM 819 NE2 GLN A 50 43.244 12.062 3.502 1.00 1.96 N ATOM 0 H GLN A 50 41.478 9.612 2.889 1.00 1.23 H new ATOM 0 HA GLN A 50 39.881 10.040 5.219 1.00 1.30 H new ATOM 0 HB2 GLN A 50 40.445 11.525 2.660 1.00 1.43 H new ATOM 0 HB3 GLN A 50 39.134 12.052 3.697 1.00 1.43 H new ATOM 0 HG2 GLN A 50 41.119 13.324 4.220 1.00 1.59 H new ATOM 0 HG3 GLN A 50 40.720 12.298 5.584 1.00 1.59 H new ATOM 0 HE21 GLN A 50 42.892 12.717 2.804 1.00 1.96 H new ATOM 0 HE22 GLN A 50 44.190 11.689 3.420 1.00 1.96 H new ATOM 828 N ALA A 51 38.458 9.119 2.407 1.00 1.16 N ATOM 829 CA ALA A 51 37.233 8.620 1.808 1.00 1.11 C ATOM 830 C ALA A 51 36.738 7.385 2.550 1.00 1.02 C ATOM 831 O ALA A 51 35.533 7.206 2.738 1.00 1.00 O ATOM 832 CB ALA A 51 37.452 8.316 0.339 1.00 1.15 C ATOM 0 H ALA A 51 39.274 9.063 1.798 1.00 1.16 H new ATOM 0 HA ALA A 51 36.467 9.391 1.888 1.00 1.11 H new ATOM 0 HB1 ALA A 51 36.526 7.943 -0.097 1.00 1.15 H new ATOM 0 HB2 ALA A 51 37.757 9.225 -0.179 1.00 1.15 H new ATOM 0 HB3 ALA A 51 38.232 7.561 0.236 1.00 1.15 H new ATOM 838 N ALA A 52 37.670 6.539 2.977 1.00 1.01 N ATOM 839 CA ALA A 52 37.326 5.334 3.720 1.00 1.01 C ATOM 840 C ALA A 52 36.602 5.711 5.007 1.00 1.04 C ATOM 841 O ALA A 52 35.593 5.111 5.372 1.00 1.05 O ATOM 842 CB ALA A 52 38.579 4.524 4.027 1.00 1.07 C ATOM 0 H ALA A 52 38.670 6.667 2.821 1.00 1.01 H new ATOM 0 HA ALA A 52 36.664 4.718 3.112 1.00 1.01 H new ATOM 0 HB1 ALA A 52 38.305 3.627 4.582 1.00 1.07 H new ATOM 0 HB2 ALA A 52 39.066 4.239 3.094 1.00 1.07 H new ATOM 0 HB3 ALA A 52 39.264 5.126 4.624 1.00 1.07 H new ATOM 848 N GLU A 53 37.123 6.730 5.676 1.00 1.10 N ATOM 849 CA GLU A 53 36.536 7.226 6.914 1.00 1.20 C ATOM 850 C GLU A 53 35.168 7.861 6.648 1.00 1.18 C ATOM 851 O GLU A 53 34.268 7.806 7.492 1.00 1.23 O ATOM 852 CB GLU A 53 37.485 8.238 7.561 1.00 1.32 C ATOM 853 CG GLU A 53 37.036 8.732 8.926 1.00 1.52 C ATOM 854 CD GLU A 53 36.742 7.604 9.895 1.00 1.64 C ATOM 855 OE1 GLU A 53 37.700 6.966 10.378 1.00 1.87 O ATOM 856 OE2 GLU A 53 35.551 7.359 10.181 1.00 1.65 O ATOM 0 H GLU A 53 37.959 7.234 5.379 1.00 1.10 H new ATOM 0 HA GLU A 53 36.389 6.390 7.597 1.00 1.20 H new ATOM 0 HB2 GLU A 53 38.471 7.783 7.658 1.00 1.32 H new ATOM 0 HB3 GLU A 53 37.593 9.094 6.895 1.00 1.32 H new ATOM 0 HG2 GLU A 53 37.810 9.373 9.347 1.00 1.52 H new ATOM 0 HG3 GLU A 53 36.143 9.345 8.809 1.00 1.52 H new ATOM 863 N LYS A 54 35.021 8.459 5.472 1.00 1.14 N ATOM 864 CA LYS A 54 33.769 9.093 5.076 1.00 1.15 C ATOM 865 C LYS A 54 32.658 8.059 4.975 1.00 1.06 C ATOM 866 O LYS A 54 31.590 8.218 5.564 1.00 1.08 O ATOM 867 CB LYS A 54 33.919 9.801 3.729 1.00 1.20 C ATOM 868 CG LYS A 54 34.695 11.103 3.793 1.00 1.43 C ATOM 869 CD LYS A 54 34.869 11.707 2.408 1.00 1.56 C ATOM 870 CE LYS A 54 35.511 13.079 2.476 1.00 1.86 C ATOM 871 NZ LYS A 54 35.821 13.624 1.127 1.00 2.25 N ATOM 0 H LYS A 54 35.759 8.518 4.771 1.00 1.14 H new ATOM 0 HA LYS A 54 33.514 9.829 5.839 1.00 1.15 H new ATOM 0 HB2 LYS A 54 34.417 9.128 3.031 1.00 1.20 H new ATOM 0 HB3 LYS A 54 32.927 10.002 3.325 1.00 1.20 H new ATOM 0 HG2 LYS A 54 34.173 11.810 4.438 1.00 1.43 H new ATOM 0 HG3 LYS A 54 35.673 10.925 4.241 1.00 1.43 H new ATOM 0 HD2 LYS A 54 35.484 11.046 1.797 1.00 1.56 H new ATOM 0 HD3 LYS A 54 33.898 11.782 1.918 1.00 1.56 H new ATOM 0 HE2 LYS A 54 34.844 13.765 2.998 1.00 1.86 H new ATOM 0 HE3 LYS A 54 36.429 13.020 3.061 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 36.258 14.563 1.224 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 36.479 12.985 0.637 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 34.943 13.706 0.576 1.00 2.25 H new ATOM 885 N LEU A 55 32.921 6.990 4.236 1.00 0.98 N ATOM 886 CA LEU A 55 31.937 5.930 4.050 1.00 0.95 C ATOM 887 C LEU A 55 31.729 5.144 5.337 1.00 0.98 C ATOM 888 O LEU A 55 30.679 4.542 5.542 1.00 1.00 O ATOM 889 CB LEU A 55 32.354 4.994 2.914 1.00 0.93 C ATOM 890 CG LEU A 55 31.840 5.389 1.525 1.00 1.05 C ATOM 891 CD1 LEU A 55 30.323 5.455 1.509 1.00 1.34 C ATOM 892 CD2 LEU A 55 32.428 6.721 1.089 1.00 1.22 C ATOM 0 H LEU A 55 33.807 6.833 3.755 1.00 0.98 H new ATOM 0 HA LEU A 55 30.990 6.399 3.781 1.00 0.95 H new ATOM 0 HB2 LEU A 55 33.443 4.949 2.882 1.00 0.93 H new ATOM 0 HB3 LEU A 55 32.000 3.989 3.143 1.00 0.93 H new ATOM 0 HG LEU A 55 32.161 4.622 0.820 1.00 1.05 H new ATOM 0 HD11 LEU A 55 29.982 5.737 0.513 1.00 1.34 H new ATOM 0 HD12 LEU A 55 29.914 4.479 1.770 1.00 1.34 H new ATOM 0 HD13 LEU A 55 29.983 6.196 2.232 1.00 1.34 H new ATOM 0 HD21 LEU A 55 32.049 6.980 0.101 1.00 1.22 H new ATOM 0 HD22 LEU A 55 32.143 7.495 1.801 1.00 1.22 H new ATOM 0 HD23 LEU A 55 33.515 6.644 1.052 1.00 1.22 H new ATOM 904 N ASN A 56 32.734 5.159 6.203 1.00 1.04 N ATOM 905 CA ASN A 56 32.661 4.464 7.484 1.00 1.14 C ATOM 906 C ASN A 56 31.501 5.009 8.318 1.00 1.19 C ATOM 907 O ASN A 56 30.639 4.257 8.780 1.00 1.25 O ATOM 908 CB ASN A 56 33.982 4.636 8.244 1.00 1.25 C ATOM 909 CG ASN A 56 33.928 4.106 9.664 1.00 1.42 C ATOM 910 OD1 ASN A 56 33.370 3.039 9.925 1.00 1.48 O ATOM 911 ND2 ASN A 56 34.510 4.853 10.587 1.00 1.57 N ATOM 0 H ASN A 56 33.615 5.648 6.041 1.00 1.04 H new ATOM 0 HA ASN A 56 32.490 3.403 7.301 1.00 1.14 H new ATOM 0 HB2 ASN A 56 34.775 4.122 7.701 1.00 1.25 H new ATOM 0 HB3 ASN A 56 34.245 5.694 8.268 1.00 1.25 H new ATOM 0 HD21 ASN A 56 34.509 4.552 11.562 1.00 1.57 H new ATOM 0 HD22 ASN A 56 34.960 5.730 10.324 1.00 1.57 H new ATOM 918 N LYS A 57 31.468 6.328 8.468 1.00 1.20 N ATOM 919 CA LYS A 57 30.422 6.987 9.248 1.00 1.28 C ATOM 920 C LYS A 57 29.096 6.996 8.491 1.00 1.22 C ATOM 921 O LYS A 57 28.029 6.918 9.100 1.00 1.27 O ATOM 922 CB LYS A 57 30.832 8.418 9.618 1.00 1.39 C ATOM 923 CG LYS A 57 31.462 9.188 8.469 1.00 1.52 C ATOM 924 CD LYS A 57 31.836 10.612 8.862 1.00 1.63 C ATOM 925 CE LYS A 57 32.875 10.637 9.977 1.00 1.74 C ATOM 926 NZ LYS A 57 34.124 9.919 9.607 1.00 1.86 N ATOM 0 H LYS A 57 32.153 6.964 8.060 1.00 1.20 H new ATOM 0 HA LYS A 57 30.288 6.418 10.168 1.00 1.28 H new ATOM 0 HB2 LYS A 57 29.953 8.959 9.968 1.00 1.39 H new ATOM 0 HB3 LYS A 57 31.536 8.382 10.449 1.00 1.39 H new ATOM 0 HG2 LYS A 57 32.354 8.662 8.128 1.00 1.52 H new ATOM 0 HG3 LYS A 57 30.767 9.216 7.629 1.00 1.52 H new ATOM 0 HD2 LYS A 57 32.225 11.139 7.991 1.00 1.63 H new ATOM 0 HD3 LYS A 57 30.943 11.146 9.185 1.00 1.63 H new ATOM 0 HE2 LYS A 57 33.114 11.672 10.224 1.00 1.74 H new ATOM 0 HE3 LYS A 57 32.452 10.185 10.874 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 34.947 10.512 9.837 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 34.181 9.026 10.138 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 34.118 9.716 8.587 1.00 1.86 H new ATOM 940 N LEU A 58 29.165 7.083 7.167 1.00 1.12 N ATOM 941 CA LEU A 58 27.964 7.097 6.334 1.00 1.10 C ATOM 942 C LEU A 58 27.185 5.797 6.488 1.00 1.08 C ATOM 943 O LEU A 58 25.973 5.816 6.695 1.00 1.11 O ATOM 944 CB LEU A 58 28.339 7.313 4.867 1.00 1.06 C ATOM 945 CG LEU A 58 28.095 8.723 4.320 1.00 1.22 C ATOM 946 CD1 LEU A 58 26.606 9.008 4.206 1.00 1.35 C ATOM 947 CD2 LEU A 58 28.769 9.769 5.199 1.00 1.39 C ATOM 0 H LEU A 58 30.040 7.145 6.646 1.00 1.12 H new ATOM 0 HA LEU A 58 27.330 7.921 6.663 1.00 1.10 H new ATOM 0 HB2 LEU A 58 29.395 7.072 4.742 1.00 1.06 H new ATOM 0 HB3 LEU A 58 27.776 6.605 4.259 1.00 1.06 H new ATOM 0 HG LEU A 58 28.533 8.777 3.323 1.00 1.22 H new ATOM 0 HD11 LEU A 58 26.457 10.015 3.816 1.00 1.35 H new ATOM 0 HD12 LEU A 58 26.148 8.285 3.531 1.00 1.35 H new ATOM 0 HD13 LEU A 58 26.144 8.929 5.190 1.00 1.35 H new ATOM 0 HD21 LEU A 58 28.582 10.762 4.791 1.00 1.39 H new ATOM 0 HD22 LEU A 58 28.365 9.710 6.210 1.00 1.39 H new ATOM 0 HD23 LEU A 58 29.843 9.584 5.226 1.00 1.39 H new ATOM 959 N ILE A 59 27.890 4.672 6.401 1.00 1.07 N ATOM 960 CA ILE A 59 27.271 3.359 6.540 1.00 1.12 C ATOM 961 C ILE A 59 26.673 3.209 7.935 1.00 1.22 C ATOM 962 O ILE A 59 25.576 2.670 8.100 1.00 1.28 O ATOM 963 CB ILE A 59 28.290 2.221 6.247 1.00 1.15 C ATOM 964 CG1 ILE A 59 28.141 1.729 4.801 1.00 1.28 C ATOM 965 CG2 ILE A 59 28.137 1.051 7.213 1.00 1.26 C ATOM 966 CD1 ILE A 59 28.536 2.752 3.754 1.00 1.39 C ATOM 0 H ILE A 59 28.896 4.645 6.234 1.00 1.07 H new ATOM 0 HA ILE A 59 26.470 3.277 5.805 1.00 1.12 H new ATOM 0 HB ILE A 59 29.287 2.638 6.388 1.00 1.15 H new ATOM 0 HG12 ILE A 59 28.751 0.835 4.668 1.00 1.28 H new ATOM 0 HG13 ILE A 59 27.105 1.436 4.634 1.00 1.28 H new ATOM 0 HG21 ILE A 59 28.869 0.281 6.970 1.00 1.26 H new ATOM 0 HG22 ILE A 59 28.300 1.398 8.233 1.00 1.26 H new ATOM 0 HG23 ILE A 59 27.132 0.637 7.127 1.00 1.26 H new ATOM 0 HD11 ILE A 59 28.401 2.326 2.760 1.00 1.39 H new ATOM 0 HD12 ILE A 59 27.910 3.638 3.857 1.00 1.39 H new ATOM 0 HD13 ILE A 59 29.581 3.029 3.892 1.00 1.39 H new ATOM 978 N GLU A 60 27.392 3.718 8.929 1.00 1.27 N ATOM 979 CA GLU A 60 26.938 3.663 10.312 1.00 1.41 C ATOM 980 C GLU A 60 25.613 4.410 10.461 1.00 1.39 C ATOM 981 O GLU A 60 24.693 3.934 11.124 1.00 1.49 O ATOM 982 CB GLU A 60 27.992 4.272 11.240 1.00 1.52 C ATOM 983 CG GLU A 60 27.834 3.869 12.699 1.00 1.73 C ATOM 984 CD GLU A 60 28.430 4.887 13.648 1.00 2.09 C ATOM 985 OE1 GLU A 60 29.672 4.963 13.746 1.00 2.61 O ATOM 986 OE2 GLU A 60 27.657 5.619 14.303 1.00 2.28 O ATOM 0 H GLU A 60 28.295 4.175 8.801 1.00 1.27 H new ATOM 0 HA GLU A 60 26.788 2.620 10.589 1.00 1.41 H new ATOM 0 HB2 GLU A 60 28.982 3.973 10.896 1.00 1.52 H new ATOM 0 HB3 GLU A 60 27.943 5.358 11.166 1.00 1.52 H new ATOM 0 HG2 GLU A 60 26.775 3.742 12.925 1.00 1.73 H new ATOM 0 HG3 GLU A 60 28.312 2.903 12.860 1.00 1.73 H new ATOM 993 N GLY A 61 25.517 5.567 9.811 1.00 1.30 N ATOM 994 CA GLY A 61 24.308 6.372 9.875 1.00 1.30 C ATOM 995 C GLY A 61 23.117 5.671 9.265 1.00 1.26 C ATOM 996 O GLY A 61 22.002 5.785 9.766 1.00 1.27 O ATOM 0 H GLY A 61 26.261 5.964 9.237 1.00 1.30 H new ATOM 0 HA2 GLY A 61 24.090 6.614 10.915 1.00 1.30 H new ATOM 0 HA3 GLY A 61 24.475 7.316 9.357 1.00 1.30 H new ATOM 1000 N TYR A 62 23.350 4.954 8.175 1.00 1.25 N ATOM 1001 CA TYR A 62 22.283 4.219 7.508 1.00 1.31 C ATOM 1002 C TYR A 62 21.859 3.019 8.349 1.00 1.43 C ATOM 1003 O TYR A 62 20.683 2.656 8.384 1.00 1.47 O ATOM 1004 CB TYR A 62 22.725 3.776 6.113 1.00 1.39 C ATOM 1005 CG TYR A 62 22.899 4.929 5.147 1.00 1.59 C ATOM 1006 CD1 TYR A 62 21.925 5.913 5.025 1.00 2.03 C ATOM 1007 CD2 TYR A 62 24.045 5.037 4.368 1.00 2.27 C ATOM 1008 CE1 TYR A 62 22.086 6.969 4.152 1.00 2.60 C ATOM 1009 CE2 TYR A 62 24.214 6.092 3.496 1.00 2.80 C ATOM 1010 CZ TYR A 62 23.233 7.054 3.392 1.00 2.80 C ATOM 1011 OH TYR A 62 23.399 8.108 2.525 1.00 3.54 O ATOM 0 H TYR A 62 24.265 4.865 7.734 1.00 1.25 H new ATOM 0 HA TYR A 62 21.424 4.880 7.396 1.00 1.31 H new ATOM 0 HB2 TYR A 62 23.666 3.233 6.193 1.00 1.39 H new ATOM 0 HB3 TYR A 62 21.989 3.081 5.710 1.00 1.39 H new ATOM 0 HD1 TYR A 62 21.028 5.850 5.623 1.00 2.03 H new ATOM 0 HD2 TYR A 62 24.815 4.283 4.447 1.00 2.27 H new ATOM 0 HE1 TYR A 62 21.319 7.724 4.065 1.00 2.60 H new ATOM 0 HE2 TYR A 62 25.110 6.164 2.898 1.00 2.80 H new ATOM 0 HH TYR A 62 24.260 8.021 2.066 1.00 3.54 H new ATOM 1021 N THR A 63 22.822 2.419 9.040 1.00 1.55 N ATOM 1022 CA THR A 63 22.545 1.276 9.898 1.00 1.74 C ATOM 1023 C THR A 63 21.682 1.709 11.084 1.00 1.68 C ATOM 1024 O THR A 63 20.751 1.012 11.482 1.00 1.81 O ATOM 1025 CB THR A 63 23.846 0.635 10.413 1.00 1.96 C ATOM 1026 OG1 THR A 63 24.748 0.430 9.317 1.00 2.00 O ATOM 1027 CG2 THR A 63 23.567 -0.691 11.106 1.00 2.37 C ATOM 0 H THR A 63 23.801 2.706 9.022 1.00 1.55 H new ATOM 0 HA THR A 63 22.009 0.535 9.306 1.00 1.74 H new ATOM 0 HB THR A 63 24.298 1.310 11.140 1.00 1.96 H new ATOM 0 HG1 THR A 63 25.228 1.263 9.128 1.00 2.00 H new ATOM 0 HG21 THR A 63 24.504 -1.121 11.460 1.00 2.37 H new ATOM 0 HG22 THR A 63 22.901 -0.526 11.953 1.00 2.37 H new ATOM 0 HG23 THR A 63 23.096 -1.377 10.402 1.00 2.37 H new ATOM 1035 N TYR A 64 21.991 2.883 11.625 1.00 1.56 N ATOM 1036 CA TYR A 64 21.246 3.433 12.750 1.00 1.61 C ATOM 1037 C TYR A 64 20.205 4.432 12.252 1.00 1.32 C ATOM 1038 O TYR A 64 19.785 5.331 12.981 1.00 1.40 O ATOM 1039 CB TYR A 64 22.198 4.112 13.741 1.00 1.89 C ATOM 1040 CG TYR A 64 23.115 3.149 14.459 1.00 2.36 C ATOM 1041 CD1 TYR A 64 24.337 2.781 13.910 1.00 2.94 C ATOM 1042 CD2 TYR A 64 22.758 2.609 15.688 1.00 2.88 C ATOM 1043 CE1 TYR A 64 25.176 1.903 14.564 1.00 3.61 C ATOM 1044 CE2 TYR A 64 23.592 1.729 16.347 1.00 3.56 C ATOM 1045 CZ TYR A 64 24.801 1.380 15.783 1.00 3.79 C ATOM 1046 OH TYR A 64 25.642 0.510 16.441 1.00 4.61 O ATOM 0 H TYR A 64 22.756 3.474 11.300 1.00 1.56 H new ATOM 0 HA TYR A 64 20.736 2.617 13.262 1.00 1.61 H new ATOM 0 HB2 TYR A 64 22.802 4.845 13.207 1.00 1.89 H new ATOM 0 HB3 TYR A 64 21.611 4.659 14.479 1.00 1.89 H new ATOM 0 HD1 TYR A 64 24.635 3.189 12.955 1.00 2.94 H new ATOM 0 HD2 TYR A 64 21.813 2.882 16.135 1.00 2.88 H new ATOM 0 HE1 TYR A 64 26.122 1.627 14.123 1.00 3.61 H new ATOM 0 HE2 TYR A 64 23.299 1.315 17.301 1.00 3.56 H new ATOM 0 HH TYR A 64 25.231 0.234 17.287 1.00 4.61 H new ATOM 1056 N GLY A 65 19.781 4.255 11.008 1.00 1.16 N ATOM 1057 CA GLY A 65 18.801 5.143 10.422 1.00 1.08 C ATOM 1058 C GLY A 65 17.416 4.963 11.006 1.00 1.03 C ATOM 1059 O GLY A 65 16.635 4.132 10.537 1.00 1.02 O ATOM 0 H GLY A 65 20.101 3.507 10.393 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.120 6.175 10.569 1.00 1.08 H new ATOM 0 HA3 GLY A 65 18.761 4.972 9.346 1.00 1.08 H new ATOM 1063 N GLU A 66 17.110 5.756 12.026 1.00 1.04 N ATOM 1064 CA GLU A 66 15.812 5.707 12.683 1.00 1.03 C ATOM 1065 C GLU A 66 14.707 6.037 11.693 1.00 0.98 C ATOM 1066 O GLU A 66 13.582 5.562 11.820 1.00 0.98 O ATOM 1067 CB GLU A 66 15.772 6.686 13.854 1.00 1.10 C ATOM 1068 CG GLU A 66 16.515 6.193 15.082 1.00 1.55 C ATOM 1069 CD GLU A 66 15.825 5.023 15.745 1.00 1.48 C ATOM 1070 OE1 GLU A 66 15.983 3.883 15.268 1.00 1.73 O ATOM 1071 OE2 GLU A 66 15.120 5.239 16.753 1.00 1.79 O ATOM 0 H GLU A 66 17.751 6.446 12.418 1.00 1.04 H new ATOM 0 HA GLU A 66 15.655 4.697 13.063 1.00 1.03 H new ATOM 0 HB2 GLU A 66 16.201 7.637 13.537 1.00 1.10 H new ATOM 0 HB3 GLU A 66 14.733 6.878 14.121 1.00 1.10 H new ATOM 0 HG2 GLU A 66 17.526 5.901 14.798 1.00 1.55 H new ATOM 0 HG3 GLU A 66 16.608 7.009 15.798 1.00 1.55 H new ATOM 1078 N GLU A 67 15.042 6.854 10.700 1.00 0.98 N ATOM 1079 CA GLU A 67 14.083 7.239 9.680 1.00 0.98 C ATOM 1080 C GLU A 67 13.694 6.038 8.824 1.00 0.95 C ATOM 1081 O GLU A 67 12.549 5.921 8.399 1.00 0.93 O ATOM 1082 CB GLU A 67 14.644 8.359 8.806 1.00 1.05 C ATOM 1083 CG GLU A 67 14.753 9.689 9.534 1.00 1.33 C ATOM 1084 CD GLU A 67 14.640 10.867 8.597 1.00 1.79 C ATOM 1085 OE1 GLU A 67 13.546 11.081 8.032 1.00 2.37 O ATOM 1086 OE2 GLU A 67 15.651 11.567 8.388 1.00 2.46 O ATOM 0 H GLU A 67 15.970 7.260 10.583 1.00 0.98 H new ATOM 0 HA GLU A 67 13.188 7.609 10.179 1.00 0.98 H new ATOM 0 HB2 GLU A 67 15.630 8.069 8.443 1.00 1.05 H new ATOM 0 HB3 GLU A 67 14.006 8.482 7.931 1.00 1.05 H new ATOM 0 HG2 GLU A 67 13.970 9.752 10.289 1.00 1.33 H new ATOM 0 HG3 GLU A 67 15.707 9.736 10.059 1.00 1.33 H new ATOM 1093 N ARG A 68 14.640 5.130 8.596 1.00 0.97 N ATOM 1094 CA ARG A 68 14.370 3.934 7.802 1.00 0.99 C ATOM 1095 C ARG A 68 13.386 3.052 8.557 1.00 0.96 C ATOM 1096 O ARG A 68 12.508 2.425 7.966 1.00 0.97 O ATOM 1097 CB ARG A 68 15.672 3.167 7.518 1.00 1.06 C ATOM 1098 CG ARG A 68 15.530 2.066 6.471 1.00 1.17 C ATOM 1099 CD ARG A 68 15.415 0.686 7.106 1.00 1.27 C ATOM 1100 NE ARG A 68 15.251 -0.367 6.103 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.154 -1.114 5.968 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.144 -0.985 6.819 1.00 1.41 N ATOM 1103 NH2 ARG A 68 14.082 -2.011 4.993 1.00 1.70 N ATOM 0 H ARG A 68 15.595 5.199 8.948 1.00 0.97 H new ATOM 0 HA ARG A 68 13.939 4.225 6.844 1.00 0.99 H new ATOM 0 HB2 ARG A 68 16.432 3.874 7.186 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.031 2.726 8.448 1.00 1.06 H new ATOM 0 HG2 ARG A 68 14.648 2.258 5.860 1.00 1.17 H new ATOM 0 HG3 ARG A 68 16.391 2.087 5.803 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.306 0.485 7.700 1.00 1.27 H new ATOM 0 HD3 ARG A 68 14.566 0.671 7.790 1.00 1.27 H new ATOM 0 HE ARG A 68 16.027 -0.541 5.465 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.203 -0.311 7.583 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.308 -1.560 6.710 1.00 1.41 H new ATOM 0 HH21 ARG A 68 14.864 -2.128 4.349 1.00 1.70 H new ATOM 0 HH22 ARG A 68 13.244 -2.583 4.888 1.00 1.70 H new ATOM 1117 N LYS A 69 13.537 3.033 9.875 1.00 0.95 N ATOM 1118 CA LYS A 69 12.669 2.254 10.741 1.00 0.97 C ATOM 1119 C LYS A 69 11.280 2.881 10.780 1.00 0.91 C ATOM 1120 O LYS A 69 10.271 2.185 10.863 1.00 0.92 O ATOM 1121 CB LYS A 69 13.265 2.176 12.151 1.00 1.04 C ATOM 1122 CG LYS A 69 12.471 1.301 13.109 1.00 1.31 C ATOM 1123 CD LYS A 69 13.164 1.181 14.456 1.00 1.43 C ATOM 1124 CE LYS A 69 12.998 2.437 15.297 1.00 1.48 C ATOM 1125 NZ LYS A 69 14.018 2.527 16.371 1.00 1.54 N ATOM 0 H LYS A 69 14.261 3.555 10.369 1.00 0.95 H new ATOM 0 HA LYS A 69 12.584 1.241 10.347 1.00 0.97 H new ATOM 0 HB2 LYS A 69 14.283 1.793 12.084 1.00 1.04 H new ATOM 0 HB3 LYS A 69 13.330 3.183 12.563 1.00 1.04 H new ATOM 0 HG2 LYS A 69 11.475 1.721 13.247 1.00 1.31 H new ATOM 0 HG3 LYS A 69 12.341 0.309 12.676 1.00 1.31 H new ATOM 0 HD2 LYS A 69 12.758 0.326 14.997 1.00 1.43 H new ATOM 0 HD3 LYS A 69 14.225 0.986 14.301 1.00 1.43 H new ATOM 0 HE2 LYS A 69 13.069 3.315 14.655 1.00 1.48 H new ATOM 0 HE3 LYS A 69 12.003 2.447 15.741 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 13.761 3.289 17.030 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 14.061 1.624 16.885 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 14.947 2.731 15.951 1.00 1.54 H new ATOM 1139 N LEU A 70 11.240 4.203 10.696 1.00 0.90 N ATOM 1140 CA LEU A 70 9.988 4.942 10.704 1.00 0.88 C ATOM 1141 C LEU A 70 9.187 4.643 9.441 1.00 0.85 C ATOM 1142 O LEU A 70 7.978 4.409 9.504 1.00 0.85 O ATOM 1143 CB LEU A 70 10.263 6.444 10.808 1.00 0.93 C ATOM 1144 CG LEU A 70 9.024 7.334 10.898 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.369 7.197 12.265 1.00 1.14 C ATOM 1146 CD2 LEU A 70 9.397 8.782 10.621 1.00 1.15 C ATOM 0 H LEU A 70 12.071 4.790 10.621 1.00 0.90 H new ATOM 0 HA LEU A 70 9.405 4.629 11.570 1.00 0.88 H new ATOM 0 HB2 LEU A 70 10.882 6.622 11.687 1.00 0.93 H new ATOM 0 HB3 LEU A 70 10.847 6.750 9.940 1.00 0.93 H new ATOM 0 HG LEU A 70 8.306 7.013 10.144 1.00 1.01 H new ATOM 0 HD11 LEU A 70 7.488 7.837 12.312 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.073 6.160 12.424 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.076 7.495 13.039 1.00 1.14 H new ATOM 0 HD21 LEU A 70 8.506 9.406 10.688 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.130 9.116 11.355 1.00 1.15 H new ATOM 0 HD23 LEU A 70 9.823 8.863 9.621 1.00 1.15 H new ATOM 1158 N TYR A 71 9.874 4.634 8.302 1.00 0.84 N ATOM 1159 CA TYR A 71 9.233 4.355 7.024 1.00 0.86 C ATOM 1160 C TYR A 71 8.756 2.904 6.991 1.00 0.85 C ATOM 1161 O TYR A 71 7.699 2.595 6.439 1.00 0.85 O ATOM 1162 CB TYR A 71 10.191 4.612 5.854 1.00 0.91 C ATOM 1163 CG TYR A 71 10.832 5.989 5.851 1.00 0.92 C ATOM 1164 CD1 TYR A 71 10.209 7.085 6.441 1.00 0.94 C ATOM 1165 CD2 TYR A 71 12.071 6.188 5.252 1.00 0.99 C ATOM 1166 CE1 TYR A 71 10.800 8.335 6.435 1.00 1.01 C ATOM 1167 CE2 TYR A 71 12.669 7.434 5.243 1.00 1.05 C ATOM 1168 CZ TYR A 71 12.031 8.503 5.834 1.00 1.05 C ATOM 1169 OH TYR A 71 12.628 9.744 5.823 1.00 1.16 O ATOM 0 H TYR A 71 10.875 4.817 8.240 1.00 0.84 H new ATOM 0 HA TYR A 71 8.380 5.025 6.919 1.00 0.86 H new ATOM 0 HB2 TYR A 71 10.979 3.859 5.875 1.00 0.91 H new ATOM 0 HB3 TYR A 71 9.646 4.477 4.920 1.00 0.91 H new ATOM 0 HD1 TYR A 71 9.246 6.957 6.912 1.00 0.94 H new ATOM 0 HD2 TYR A 71 12.575 5.354 4.786 1.00 0.99 H new ATOM 0 HE1 TYR A 71 10.302 9.174 6.897 1.00 1.01 H new ATOM 0 HE2 TYR A 71 13.633 7.569 4.775 1.00 1.05 H new ATOM 0 HH TYR A 71 12.850 10.008 6.740 1.00 1.16 H new ATOM 1179 N ASP A 72 9.544 2.024 7.595 1.00 0.86 N ATOM 1180 CA ASP A 72 9.214 0.605 7.657 1.00 0.90 C ATOM 1181 C ASP A 72 7.959 0.399 8.496 1.00 0.87 C ATOM 1182 O ASP A 72 7.084 -0.394 8.149 1.00 0.87 O ATOM 1183 CB ASP A 72 10.376 -0.179 8.265 1.00 0.98 C ATOM 1184 CG ASP A 72 10.204 -1.680 8.156 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.579 -2.278 9.058 1.00 1.47 O ATOM 1186 OD2 ASP A 72 10.734 -2.274 7.194 1.00 1.48 O ATOM 0 H ASP A 72 10.422 2.270 8.052 1.00 0.86 H new ATOM 0 HA ASP A 72 9.032 0.242 6.645 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.302 0.111 7.768 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.480 0.093 9.315 1.00 0.98 H new ATOM 1191 N SER A 73 7.878 1.139 9.600 1.00 0.85 N ATOM 1192 CA SER A 73 6.737 1.060 10.495 1.00 0.85 C ATOM 1193 C SER A 73 5.477 1.569 9.799 1.00 0.81 C ATOM 1194 O SER A 73 4.361 1.172 10.143 1.00 0.80 O ATOM 1195 CB SER A 73 7.003 1.863 11.771 1.00 0.90 C ATOM 1196 OG SER A 73 8.192 1.423 12.418 1.00 0.96 O ATOM 0 H SER A 73 8.596 1.802 9.893 1.00 0.85 H new ATOM 0 HA SER A 73 6.583 0.016 10.768 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.090 2.922 11.526 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.157 1.761 12.451 1.00 0.90 H new ATOM 0 HG SER A 73 8.972 1.694 11.890 1.00 0.96 H new ATOM 1202 N ALA A 74 5.664 2.449 8.819 1.00 0.80 N ATOM 1203 CA ALA A 74 4.549 2.994 8.062 1.00 0.79 C ATOM 1204 C ALA A 74 3.923 1.896 7.215 1.00 0.76 C ATOM 1205 O ALA A 74 2.706 1.857 7.026 1.00 0.75 O ATOM 1206 CB ALA A 74 5.000 4.156 7.189 1.00 0.82 C ATOM 0 H ALA A 74 6.579 2.798 8.533 1.00 0.80 H new ATOM 0 HA ALA A 74 3.803 3.375 8.760 1.00 0.79 H new ATOM 0 HB1 ALA A 74 4.147 4.546 6.633 1.00 0.82 H new ATOM 0 HB2 ALA A 74 5.414 4.944 7.818 1.00 0.82 H new ATOM 0 HB3 ALA A 74 5.762 3.812 6.490 1.00 0.82 H new ATOM 1212 N LEU A 75 4.769 0.997 6.721 1.00 0.77 N ATOM 1213 CA LEU A 75 4.310 -0.124 5.915 1.00 0.78 C ATOM 1214 C LEU A 75 3.516 -1.086 6.795 1.00 0.77 C ATOM 1215 O LEU A 75 2.527 -1.670 6.359 1.00 0.77 O ATOM 1216 CB LEU A 75 5.510 -0.834 5.265 1.00 0.83 C ATOM 1217 CG LEU A 75 5.192 -1.797 4.102 1.00 0.92 C ATOM 1218 CD1 LEU A 75 4.778 -3.170 4.621 1.00 1.13 C ATOM 1219 CD2 LEU A 75 4.111 -1.220 3.199 1.00 1.15 C ATOM 0 H LEU A 75 5.778 1.025 6.867 1.00 0.77 H new ATOM 0 HA LEU A 75 3.662 0.238 5.117 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.200 -0.073 4.899 1.00 0.83 H new ATOM 0 HB3 LEU A 75 6.035 -1.395 6.039 1.00 0.83 H new ATOM 0 HG LEU A 75 6.102 -1.918 3.514 1.00 0.92 H new ATOM 0 HD11 LEU A 75 4.560 -3.827 3.779 1.00 1.13 H new ATOM 0 HD12 LEU A 75 5.589 -3.595 5.212 1.00 1.13 H new ATOM 0 HD13 LEU A 75 3.889 -3.071 5.243 1.00 1.13 H new ATOM 0 HD21 LEU A 75 3.905 -1.917 2.387 1.00 1.15 H new ATOM 0 HD22 LEU A 75 3.202 -1.058 3.778 1.00 1.15 H new ATOM 0 HD23 LEU A 75 4.451 -0.271 2.785 1.00 1.15 H new ATOM 1231 N SER A 76 3.950 -1.231 8.045 1.00 0.78 N ATOM 1232 CA SER A 76 3.275 -2.104 8.997 1.00 0.80 C ATOM 1233 C SER A 76 1.851 -1.617 9.245 1.00 0.76 C ATOM 1234 O SER A 76 0.928 -2.417 9.431 1.00 0.77 O ATOM 1235 CB SER A 76 4.066 -2.153 10.304 1.00 0.85 C ATOM 1236 OG SER A 76 5.459 -2.183 10.035 1.00 0.88 O ATOM 0 H SER A 76 4.769 -0.753 8.421 1.00 0.78 H new ATOM 0 HA SER A 76 3.222 -3.111 8.583 1.00 0.80 H new ATOM 0 HB2 SER A 76 3.825 -1.283 10.916 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.780 -3.035 10.877 1.00 0.85 H new ATOM 0 HG SER A 76 5.955 -2.213 10.880 1.00 0.88 H new ATOM 1242 N LYS A 77 1.677 -0.300 9.215 1.00 0.75 N ATOM 1243 CA LYS A 77 0.372 0.310 9.415 1.00 0.74 C ATOM 1244 C LYS A 77 -0.536 -0.036 8.243 1.00 0.71 C ATOM 1245 O LYS A 77 -1.740 -0.242 8.410 1.00 0.70 O ATOM 1246 CB LYS A 77 0.507 1.826 9.558 1.00 0.76 C ATOM 1247 CG LYS A 77 -0.690 2.493 10.220 1.00 0.90 C ATOM 1248 CD LYS A 77 -0.426 3.968 10.444 1.00 0.98 C ATOM 1249 CE LYS A 77 -1.503 4.617 11.292 1.00 1.35 C ATOM 1250 NZ LYS A 77 -1.212 6.050 11.553 1.00 1.61 N ATOM 0 H LYS A 77 2.431 0.368 9.053 1.00 0.75 H new ATOM 0 HA LYS A 77 -0.067 -0.079 10.333 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.402 2.048 10.140 1.00 0.76 H new ATOM 0 HB3 LYS A 77 0.653 2.263 8.570 1.00 0.76 H new ATOM 0 HG2 LYS A 77 -1.574 2.368 9.595 1.00 0.90 H new ATOM 0 HG3 LYS A 77 -0.902 2.008 11.173 1.00 0.90 H new ATOM 0 HD2 LYS A 77 0.542 4.093 10.930 1.00 0.98 H new ATOM 0 HD3 LYS A 77 -0.368 4.476 9.481 1.00 0.98 H new ATOM 0 HE2 LYS A 77 -2.465 4.528 10.788 1.00 1.35 H new ATOM 0 HE3 LYS A 77 -1.589 4.085 12.240 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 -1.971 6.458 12.135 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 -0.306 6.134 12.056 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 -1.155 6.563 10.650 1.00 1.61 H new ATOM 1264 N ILE A 78 0.063 -0.117 7.061 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.662 -0.463 5.848 1.00 0.71 C ATOM 1266 C ILE A 78 -1.222 -1.875 5.966 1.00 0.70 C ATOM 1267 O ILE A 78 -2.353 -2.140 5.564 1.00 0.69 O ATOM 1268 CB ILE A 78 0.248 -0.379 4.600 1.00 0.77 C ATOM 1269 CG1 ILE A 78 0.818 1.038 4.431 1.00 1.04 C ATOM 1270 CG2 ILE A 78 -0.514 -0.797 3.349 1.00 0.84 C ATOM 1271 CD1 ILE A 78 -0.213 2.067 4.009 1.00 1.33 C ATOM 0 H ILE A 78 1.058 0.054 6.918 1.00 0.71 H new ATOM 0 HA ILE A 78 -1.474 0.254 5.730 1.00 0.71 H new ATOM 0 HB ILE A 78 1.081 -1.068 4.744 1.00 0.77 H new ATOM 0 HG12 ILE A 78 1.268 1.353 5.373 1.00 1.04 H new ATOM 0 HG13 ILE A 78 1.616 1.012 3.689 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.144 -0.731 2.483 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.863 -1.823 3.462 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -1.369 -0.136 3.206 1.00 0.84 H new ATOM 0 HD11 ILE A 78 0.265 3.042 3.911 1.00 1.33 H new ATOM 0 HD12 ILE A 78 -0.646 1.777 3.052 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -1.000 2.123 4.761 1.00 1.33 H new ATOM 1283 N GLU A 79 -0.426 -2.774 6.537 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.843 -4.162 6.727 1.00 0.74 C ATOM 1285 C GLU A 79 -2.088 -4.226 7.604 1.00 0.73 C ATOM 1286 O GLU A 79 -2.978 -5.046 7.376 1.00 0.74 O ATOM 1287 CB GLU A 79 0.286 -4.986 7.349 1.00 0.79 C ATOM 1288 CG GLU A 79 1.547 -5.015 6.504 1.00 1.00 C ATOM 1289 CD GLU A 79 2.674 -5.774 7.165 1.00 1.32 C ATOM 1290 OE1 GLU A 79 3.299 -5.228 8.096 1.00 1.95 O ATOM 1291 OE2 GLU A 79 2.938 -6.924 6.757 1.00 1.93 O ATOM 0 H GLU A 79 0.513 -2.567 6.877 1.00 0.72 H new ATOM 0 HA GLU A 79 -1.080 -4.585 5.751 1.00 0.74 H new ATOM 0 HB2 GLU A 79 0.525 -4.578 8.331 1.00 0.79 H new ATOM 0 HB3 GLU A 79 -0.062 -6.007 7.504 1.00 0.79 H new ATOM 0 HG2 GLU A 79 1.323 -5.472 5.540 1.00 1.00 H new ATOM 0 HG3 GLU A 79 1.870 -3.993 6.305 1.00 1.00 H new ATOM 1298 N LYS A 80 -2.155 -3.341 8.596 1.00 0.72 N ATOM 1299 CA LYS A 80 -3.303 -3.289 9.496 1.00 0.73 C ATOM 1300 C LYS A 80 -4.542 -2.859 8.721 1.00 0.72 C ATOM 1301 O LYS A 80 -5.643 -3.352 8.960 1.00 0.75 O ATOM 1302 CB LYS A 80 -3.051 -2.322 10.654 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.849 -2.689 11.504 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.800 -1.877 12.785 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.841 -2.346 13.790 1.00 1.35 C ATOM 1306 NZ LYS A 80 -2.593 -3.738 14.255 1.00 1.71 N ATOM 0 H LYS A 80 -1.430 -2.652 8.796 1.00 0.72 H new ATOM 0 HA LYS A 80 -3.459 -4.284 9.913 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.909 -1.318 10.253 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.937 -2.289 11.288 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.886 -3.751 11.747 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.935 -2.524 10.933 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.807 -1.955 13.227 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.965 -0.824 12.555 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.842 -1.674 14.648 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.831 -2.288 13.338 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -3.105 -3.903 15.145 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -2.927 -4.409 13.534 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -1.574 -3.876 14.411 1.00 1.71 H new ATOM 1320 N LEU A 81 -4.343 -1.943 7.780 1.00 0.69 N ATOM 1321 CA LEU A 81 -5.428 -1.445 6.951 1.00 0.71 C ATOM 1322 C LEU A 81 -5.967 -2.575 6.077 1.00 0.72 C ATOM 1323 O LEU A 81 -7.178 -2.716 5.896 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.931 -0.279 6.086 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.860 0.938 5.999 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -7.162 0.577 5.302 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -6.128 1.510 7.386 1.00 0.94 C ATOM 0 H LEU A 81 -3.434 -1.530 7.573 1.00 0.69 H new ATOM 0 HA LEU A 81 -6.235 -1.082 7.587 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.968 0.051 6.475 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.756 -0.651 5.076 1.00 0.71 H new ATOM 0 HG LEU A 81 -5.362 1.704 5.405 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -7.804 1.456 5.252 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.949 0.226 4.292 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -7.668 -0.210 5.861 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -6.789 2.373 7.302 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -6.600 0.750 8.008 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -5.186 1.817 7.841 1.00 0.94 H new ATOM 1339 N ILE A 82 -5.053 -3.390 5.559 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.417 -4.527 4.721 1.00 0.76 C ATOM 1341 C ILE A 82 -6.268 -5.508 5.519 1.00 0.80 C ATOM 1342 O ILE A 82 -7.277 -6.019 5.028 1.00 0.84 O ATOM 1343 CB ILE A 82 -4.164 -5.246 4.171 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -3.263 -4.251 3.424 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.572 -6.391 3.252 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.978 -4.857 2.892 1.00 0.77 C ATOM 0 H ILE A 82 -4.049 -3.283 5.706 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.990 -4.151 3.873 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.602 -5.659 5.009 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.823 -3.825 2.592 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -3.014 -3.429 4.095 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.680 -6.888 2.872 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -5.177 -7.107 3.809 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -5.152 -5.998 2.417 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.399 -4.089 2.378 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.394 -5.258 3.721 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.216 -5.660 2.194 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.865 -5.737 6.763 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.582 -6.637 7.656 1.00 0.86 C ATOM 1360 C GLU A 83 -7.956 -6.061 8.001 1.00 0.85 C ATOM 1361 O GLU A 83 -8.922 -6.799 8.183 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.767 -6.863 8.927 1.00 0.90 C ATOM 1363 CG GLU A 83 -6.280 -8.000 9.791 1.00 1.24 C ATOM 1364 CD GLU A 83 -5.592 -8.040 11.134 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -4.364 -8.269 11.170 1.00 2.36 O ATOM 1366 OE2 GLU A 83 -6.269 -7.830 12.160 1.00 2.18 O ATOM 0 H GLU A 83 -5.038 -5.307 7.178 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.726 -7.593 7.153 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.732 -7.067 8.652 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.766 -5.945 9.515 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -7.355 -7.889 9.937 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -6.124 -8.947 9.275 1.00 1.24 H new ATOM 1373 N THR A 84 -8.040 -4.735 8.059 1.00 0.82 N ATOM 1374 CA THR A 84 -9.297 -4.069 8.371 1.00 0.84 C ATOM 1375 C THR A 84 -10.285 -4.204 7.207 1.00 0.89 C ATOM 1376 O THR A 84 -11.498 -4.161 7.404 1.00 0.92 O ATOM 1377 CB THR A 84 -9.075 -2.578 8.721 1.00 0.83 C ATOM 1378 OG1 THR A 84 -8.049 -2.466 9.715 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.354 -1.932 9.241 1.00 0.85 C ATOM 0 H THR A 84 -7.255 -4.104 7.895 1.00 0.82 H new ATOM 0 HA THR A 84 -9.721 -4.559 9.247 1.00 0.84 H new ATOM 0 HB THR A 84 -8.775 -2.059 7.811 1.00 0.83 H new ATOM 0 HG1 THR A 84 -7.172 -2.583 9.294 1.00 0.84 H new ATOM 0 HG21 THR A 84 -10.163 -0.885 9.477 1.00 0.85 H new ATOM 0 HG22 THR A 84 -11.130 -1.996 8.478 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.685 -2.452 10.140 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.756 -4.395 5.998 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.592 -4.547 4.814 1.00 1.01 C ATOM 1389 C LEU A 85 -11.290 -5.903 4.823 1.00 1.08 C ATOM 1390 O LEU A 85 -12.363 -6.072 4.229 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.752 -4.398 3.541 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.206 -2.991 3.280 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.214 -3.020 2.132 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.342 -2.021 2.975 1.00 1.13 C ATOM 0 H LEU A 85 -8.754 -4.448 5.816 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.349 -3.763 4.828 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.913 -5.092 3.596 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.359 -4.699 2.687 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.694 -2.646 4.179 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -7.832 -2.014 1.955 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.386 -3.683 2.383 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -8.710 -3.383 1.232 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -9.933 -1.027 2.793 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -10.882 -2.359 2.090 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -11.025 -1.982 3.824 1.00 1.13 H new ATOM 1406 N SER A 86 -10.679 -6.863 5.503 1.00 1.18 N ATOM 1407 CA SER A 86 -11.227 -8.207 5.597 1.00 1.31 C ATOM 1408 C SER A 86 -10.972 -8.807 6.981 1.00 1.73 C ATOM 1409 O SER A 86 -9.936 -9.436 7.208 1.00 2.31 O ATOM 1410 CB SER A 86 -10.614 -9.102 4.519 1.00 1.71 C ATOM 1411 OG SER A 86 -10.877 -8.592 3.218 1.00 1.97 O ATOM 0 H SER A 86 -9.798 -6.734 6.000 1.00 1.18 H new ATOM 0 HA SER A 86 -12.304 -8.146 5.443 1.00 1.31 H new ATOM 0 HB2 SER A 86 -9.537 -9.176 4.673 1.00 1.71 H new ATOM 0 HB3 SER A 86 -11.019 -10.110 4.606 1.00 1.71 H new ATOM 0 HG SER A 86 -10.473 -9.182 2.548 1.00 1.97 H new ATOM 1914 N LYS B 10 15.550 14.917 -0.228 1.00 1.52 N ATOM 1915 CA LYS B 10 15.084 14.451 1.073 1.00 1.44 C ATOM 1916 C LYS B 10 13.681 14.981 1.376 1.00 1.38 C ATOM 1917 O LYS B 10 12.810 14.231 1.816 1.00 1.32 O ATOM 1918 CB LYS B 10 16.065 14.886 2.169 1.00 1.48 C ATOM 1919 CG LYS B 10 15.595 14.591 3.586 1.00 1.54 C ATOM 1920 CD LYS B 10 15.575 13.100 3.885 1.00 1.71 C ATOM 1921 CE LYS B 10 14.919 12.824 5.226 1.00 2.08 C ATOM 1922 NZ LYS B 10 14.869 11.374 5.544 1.00 2.41 N ATOM 0 HA LYS B 10 15.036 13.362 1.050 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.020 14.386 2.004 1.00 1.48 H new ATOM 0 HB3 LYS B 10 16.245 15.957 2.074 1.00 1.48 H new ATOM 0 HG2 LYS B 10 16.251 15.094 4.297 1.00 1.54 H new ATOM 0 HG3 LYS B 10 14.596 15.002 3.729 1.00 1.54 H new ATOM 0 HD2 LYS B 10 15.036 12.574 3.097 1.00 1.71 H new ATOM 0 HD3 LYS B 10 16.594 12.712 3.887 1.00 1.71 H new ATOM 0 HE2 LYS B 10 15.467 13.346 6.010 1.00 2.08 H new ATOM 0 HE3 LYS B 10 13.906 13.227 5.222 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 13.880 11.082 5.678 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 15.287 10.832 4.761 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 15.405 11.191 6.416 1.00 2.41 H new ATOM 1936 N GLU B 11 13.471 16.270 1.126 1.00 1.42 N ATOM 1937 CA GLU B 11 12.179 16.902 1.373 1.00 1.39 C ATOM 1938 C GLU B 11 11.106 16.294 0.471 1.00 1.36 C ATOM 1939 O GLU B 11 9.960 16.109 0.883 1.00 1.30 O ATOM 1940 CB GLU B 11 12.277 18.415 1.133 1.00 1.47 C ATOM 1941 CG GLU B 11 11.076 19.199 1.641 1.00 1.48 C ATOM 1942 CD GLU B 11 10.588 20.235 0.647 1.00 1.62 C ATOM 1943 OE1 GLU B 11 10.037 19.843 -0.405 1.00 1.90 O ATOM 1944 OE2 GLU B 11 10.741 21.443 0.914 1.00 1.72 O ATOM 0 H GLU B 11 14.181 16.899 0.751 1.00 1.42 H new ATOM 0 HA GLU B 11 11.899 16.727 2.412 1.00 1.39 H new ATOM 0 HB2 GLU B 11 13.177 18.792 1.619 1.00 1.47 H new ATOM 0 HB3 GLU B 11 12.392 18.597 0.064 1.00 1.47 H new ATOM 0 HG2 GLU B 11 10.264 18.507 1.865 1.00 1.48 H new ATOM 0 HG3 GLU B 11 11.340 19.694 2.575 1.00 1.48 H new ATOM 1951 N LEU B 12 11.502 15.977 -0.757 1.00 1.43 N ATOM 1952 CA LEU B 12 10.604 15.392 -1.742 1.00 1.45 C ATOM 1953 C LEU B 12 10.004 14.087 -1.237 1.00 1.36 C ATOM 1954 O LEU B 12 8.784 13.946 -1.144 1.00 1.32 O ATOM 1955 CB LEU B 12 11.357 15.128 -3.050 1.00 1.57 C ATOM 1956 CG LEU B 12 10.870 15.920 -4.264 1.00 1.73 C ATOM 1957 CD1 LEU B 12 11.258 17.384 -4.141 1.00 1.89 C ATOM 1958 CD2 LEU B 12 11.430 15.323 -5.545 1.00 1.89 C ATOM 0 H LEU B 12 12.454 16.119 -1.096 1.00 1.43 H new ATOM 0 HA LEU B 12 9.796 16.102 -1.917 1.00 1.45 H new ATOM 0 HB2 LEU B 12 12.412 15.351 -2.892 1.00 1.57 H new ATOM 0 HB3 LEU B 12 11.287 14.065 -3.280 1.00 1.57 H new ATOM 0 HG LEU B 12 9.782 15.859 -4.301 1.00 1.73 H new ATOM 0 HD11 LEU B 12 10.902 17.929 -5.015 1.00 1.89 H new ATOM 0 HD12 LEU B 12 10.808 17.805 -3.242 1.00 1.89 H new ATOM 0 HD13 LEU B 12 12.343 17.469 -4.078 1.00 1.89 H new ATOM 0 HD21 LEU B 12 11.074 15.898 -6.400 1.00 1.89 H new ATOM 0 HD22 LEU B 12 12.519 15.354 -5.515 1.00 1.89 H new ATOM 0 HD23 LEU B 12 11.099 14.289 -5.640 1.00 1.89 H new ATOM 1970 N LEU B 13 10.870 13.144 -0.889 1.00 1.35 N ATOM 1971 CA LEU B 13 10.425 11.843 -0.419 1.00 1.30 C ATOM 1972 C LEU B 13 9.735 11.944 0.941 1.00 1.18 C ATOM 1973 O LEU B 13 8.782 11.215 1.211 1.00 1.15 O ATOM 1974 CB LEU B 13 11.603 10.856 -0.361 1.00 1.35 C ATOM 1975 CG LEU B 13 12.772 11.252 0.549 1.00 1.32 C ATOM 1976 CD1 LEU B 13 12.698 10.510 1.880 1.00 1.48 C ATOM 1977 CD2 LEU B 13 14.094 10.963 -0.148 1.00 1.50 C ATOM 0 H LEU B 13 11.883 13.258 -0.924 1.00 1.35 H new ATOM 0 HA LEU B 13 9.692 11.466 -1.132 1.00 1.30 H new ATOM 0 HB2 LEU B 13 11.224 9.889 -0.031 1.00 1.35 H new ATOM 0 HB3 LEU B 13 11.986 10.720 -1.372 1.00 1.35 H new ATOM 0 HG LEU B 13 12.706 12.321 0.754 1.00 1.32 H new ATOM 0 HD11 LEU B 13 13.537 10.807 2.509 1.00 1.48 H new ATOM 0 HD12 LEU B 13 11.763 10.757 2.383 1.00 1.48 H new ATOM 0 HD13 LEU B 13 12.741 9.436 1.701 1.00 1.48 H new ATOM 0 HD21 LEU B 13 14.919 11.247 0.505 1.00 1.50 H new ATOM 0 HD22 LEU B 13 14.161 9.899 -0.375 1.00 1.50 H new ATOM 0 HD23 LEU B 13 14.150 11.536 -1.074 1.00 1.50 H new ATOM 1989 N LEU B 14 10.196 12.866 1.781 1.00 1.15 N ATOM 1990 CA LEU B 14 9.614 13.052 3.110 1.00 1.07 C ATOM 1991 C LEU B 14 8.143 13.453 3.005 1.00 1.07 C ATOM 1992 O LEU B 14 7.290 12.931 3.728 1.00 1.02 O ATOM 1993 CB LEU B 14 10.386 14.122 3.885 1.00 1.08 C ATOM 1994 CG LEU B 14 10.201 14.087 5.404 1.00 1.04 C ATOM 1995 CD1 LEU B 14 10.933 12.902 6.013 1.00 1.06 C ATOM 1996 CD2 LEU B 14 10.689 15.384 6.024 1.00 1.14 C ATOM 0 H LEU B 14 10.969 13.496 1.567 1.00 1.15 H new ATOM 0 HA LEU B 14 9.682 12.105 3.645 1.00 1.07 H new ATOM 0 HB2 LEU B 14 11.447 14.015 3.662 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.081 15.103 3.520 1.00 1.08 H new ATOM 0 HG LEU B 14 9.138 13.975 5.615 1.00 1.04 H new ATOM 0 HD11 LEU B 14 10.786 12.900 7.093 1.00 1.06 H new ATOM 0 HD12 LEU B 14 10.541 11.976 5.591 1.00 1.06 H new ATOM 0 HD13 LEU B 14 11.998 12.979 5.792 1.00 1.06 H new ATOM 0 HD21 LEU B 14 10.551 15.345 7.105 1.00 1.14 H new ATOM 0 HD22 LEU B 14 11.746 15.520 5.798 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.120 16.219 5.616 1.00 1.14 H new ATOM 2008 N LYS B 15 7.856 14.378 2.093 1.00 1.15 N ATOM 2009 CA LYS B 15 6.493 14.849 1.874 1.00 1.18 C ATOM 2010 C LYS B 15 5.637 13.765 1.224 1.00 1.13 C ATOM 2011 O LYS B 15 4.427 13.703 1.441 1.00 1.11 O ATOM 2012 CB LYS B 15 6.503 16.105 0.999 1.00 1.32 C ATOM 2013 CG LYS B 15 6.630 17.396 1.792 1.00 1.46 C ATOM 2014 CD LYS B 15 7.393 18.462 1.020 1.00 1.55 C ATOM 2015 CE LYS B 15 6.671 18.874 -0.252 1.00 1.76 C ATOM 2016 NZ LYS B 15 7.411 19.940 -0.977 1.00 1.80 N ATOM 0 H LYS B 15 8.553 14.817 1.492 1.00 1.15 H new ATOM 0 HA LYS B 15 6.058 15.092 2.843 1.00 1.18 H new ATOM 0 HB2 LYS B 15 7.330 16.039 0.292 1.00 1.32 H new ATOM 0 HB3 LYS B 15 5.585 16.137 0.413 1.00 1.32 H new ATOM 0 HG2 LYS B 15 5.636 17.769 2.041 1.00 1.46 H new ATOM 0 HG3 LYS B 15 7.140 17.195 2.734 1.00 1.46 H new ATOM 0 HD2 LYS B 15 7.535 19.337 1.655 1.00 1.55 H new ATOM 0 HD3 LYS B 15 8.385 18.086 0.768 1.00 1.55 H new ATOM 0 HE2 LYS B 15 6.552 18.007 -0.901 1.00 1.76 H new ATOM 0 HE3 LYS B 15 5.670 19.228 -0.005 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 7.414 19.730 -1.995 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 6.948 20.857 -0.814 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 8.390 19.981 -0.629 1.00 1.80 H new ATOM 2030 N LYS B 16 6.270 12.906 0.433 1.00 1.14 N ATOM 2031 CA LYS B 16 5.565 11.825 -0.242 1.00 1.14 C ATOM 2032 C LYS B 16 5.098 10.777 0.763 1.00 1.03 C ATOM 2033 O LYS B 16 4.000 10.240 0.648 1.00 1.01 O ATOM 2034 CB LYS B 16 6.469 11.182 -1.299 1.00 1.22 C ATOM 2035 CG LYS B 16 6.630 12.014 -2.562 1.00 1.31 C ATOM 2036 CD LYS B 16 5.341 12.052 -3.371 1.00 1.30 C ATOM 2037 CE LYS B 16 5.470 12.953 -4.592 1.00 1.45 C ATOM 2038 NZ LYS B 16 4.168 13.137 -5.290 1.00 1.65 N ATOM 0 H LYS B 16 7.272 12.938 0.244 1.00 1.14 H new ATOM 0 HA LYS B 16 4.687 12.242 -0.736 1.00 1.14 H new ATOM 0 HB2 LYS B 16 7.453 11.007 -0.863 1.00 1.22 H new ATOM 0 HB3 LYS B 16 6.061 10.207 -1.567 1.00 1.22 H new ATOM 0 HG2 LYS B 16 6.924 13.029 -2.296 1.00 1.31 H new ATOM 0 HG3 LYS B 16 7.432 11.600 -3.173 1.00 1.31 H new ATOM 0 HD2 LYS B 16 5.081 11.042 -3.689 1.00 1.30 H new ATOM 0 HD3 LYS B 16 4.526 12.407 -2.741 1.00 1.30 H new ATOM 0 HE2 LYS B 16 5.858 13.925 -4.286 1.00 1.45 H new ATOM 0 HE3 LYS B 16 6.195 12.524 -5.284 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 4.197 12.655 -6.211 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 3.404 12.733 -4.712 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 3.993 14.152 -5.436 1.00 1.65 H new ATOM 2052 N ILE B 17 5.940 10.501 1.750 1.00 0.98 N ATOM 2053 CA ILE B 17 5.619 9.520 2.778 1.00 0.92 C ATOM 2054 C ILE B 17 4.561 10.058 3.738 1.00 0.89 C ATOM 2055 O ILE B 17 3.617 9.352 4.097 1.00 0.86 O ATOM 2056 CB ILE B 17 6.885 9.113 3.568 1.00 0.94 C ATOM 2057 CG1 ILE B 17 7.900 8.453 2.630 1.00 1.00 C ATOM 2058 CG2 ILE B 17 6.530 8.164 4.709 1.00 1.00 C ATOM 2059 CD1 ILE B 17 9.310 8.445 3.167 1.00 0.96 C ATOM 0 H ILE B 17 6.852 10.944 1.860 1.00 0.98 H new ATOM 0 HA ILE B 17 5.219 8.639 2.277 1.00 0.92 H new ATOM 0 HB ILE B 17 7.327 10.013 3.996 1.00 0.94 H new ATOM 0 HG12 ILE B 17 7.589 7.426 2.437 1.00 1.00 H new ATOM 0 HG13 ILE B 17 7.889 8.974 1.673 1.00 1.00 H new ATOM 0 HG21 ILE B 17 7.436 7.891 5.251 1.00 1.00 H new ATOM 0 HG22 ILE B 17 5.835 8.657 5.389 1.00 1.00 H new ATOM 0 HG23 ILE B 17 6.065 7.265 4.304 1.00 1.00 H new ATOM 0 HD11 ILE B 17 9.971 7.962 2.447 1.00 0.96 H new ATOM 0 HD12 ILE B 17 9.642 9.470 3.333 1.00 0.96 H new ATOM 0 HD13 ILE B 17 9.337 7.898 4.109 1.00 0.96 H new ATOM 2071 N ASP B 18 4.718 11.317 4.137 1.00 0.94 N ATOM 2072 CA ASP B 18 3.781 11.957 5.059 1.00 0.99 C ATOM 2073 C ASP B 18 2.368 11.983 4.485 1.00 0.96 C ATOM 2074 O ASP B 18 1.396 11.665 5.175 1.00 0.94 O ATOM 2075 CB ASP B 18 4.234 13.379 5.388 1.00 1.14 C ATOM 2076 CG ASP B 18 3.351 14.030 6.432 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.573 13.792 7.639 1.00 1.59 O ATOM 2078 OD2 ASP B 18 2.428 14.779 6.059 1.00 1.88 O ATOM 0 H ASP B 18 5.487 11.916 3.836 1.00 0.94 H new ATOM 0 HA ASP B 18 3.768 11.367 5.975 1.00 0.99 H new ATOM 0 HB2 ASP B 18 5.263 13.358 5.746 1.00 1.14 H new ATOM 0 HB3 ASP B 18 4.225 13.981 4.480 1.00 1.14 H new ATOM 2083 N SER B 19 2.265 12.350 3.217 1.00 0.98 N ATOM 2084 CA SER B 19 0.979 12.424 2.533 1.00 0.99 C ATOM 2085 C SER B 19 0.396 11.036 2.272 1.00 0.91 C ATOM 2086 O SER B 19 -0.823 10.865 2.245 1.00 0.90 O ATOM 2087 CB SER B 19 1.133 13.176 1.212 1.00 1.10 C ATOM 2088 OG SER B 19 1.778 14.424 1.408 1.00 1.21 O ATOM 0 H SER B 19 3.063 12.604 2.635 1.00 0.98 H new ATOM 0 HA SER B 19 0.289 12.960 3.184 1.00 0.99 H new ATOM 0 HB2 SER B 19 1.708 12.572 0.511 1.00 1.10 H new ATOM 0 HB3 SER B 19 0.152 13.336 0.764 1.00 1.10 H new ATOM 0 HG SER B 19 2.749 14.304 1.343 1.00 1.21 H new ATOM 2094 N LEU B 20 1.270 10.053 2.082 1.00 0.87 N ATOM 2095 CA LEU B 20 0.853 8.683 1.793 1.00 0.84 C ATOM 2096 C LEU B 20 -0.091 8.133 2.854 1.00 0.80 C ATOM 2097 O LEU B 20 -1.188 7.671 2.538 1.00 0.79 O ATOM 2098 CB LEU B 20 2.080 7.778 1.694 1.00 0.86 C ATOM 2099 CG LEU B 20 1.782 6.316 1.386 1.00 0.91 C ATOM 2100 CD1 LEU B 20 1.527 6.147 -0.094 1.00 1.07 C ATOM 2101 CD2 LEU B 20 2.922 5.436 1.867 1.00 1.35 C ATOM 0 H LEU B 20 2.281 10.181 2.123 1.00 0.87 H new ATOM 0 HA LEU B 20 0.317 8.701 0.844 1.00 0.84 H new ATOM 0 HB2 LEU B 20 2.739 8.169 0.919 1.00 0.86 H new ATOM 0 HB3 LEU B 20 2.628 7.831 2.635 1.00 0.86 H new ATOM 0 HG LEU B 20 0.883 6.006 1.918 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.314 5.100 -0.309 1.00 1.07 H new ATOM 0 HD12 LEU B 20 0.674 6.758 -0.388 1.00 1.07 H new ATOM 0 HD13 LEU B 20 2.408 6.461 -0.653 1.00 1.07 H new ATOM 0 HD21 LEU B 20 2.697 4.394 1.641 1.00 1.35 H new ATOM 0 HD22 LEU B 20 3.843 5.726 1.362 1.00 1.35 H new ATOM 0 HD23 LEU B 20 3.045 5.556 2.943 1.00 1.35 H new ATOM 2113 N ILE B 21 0.328 8.206 4.109 1.00 0.81 N ATOM 2114 CA ILE B 21 -0.483 7.696 5.207 1.00 0.82 C ATOM 2115 C ILE B 21 -1.743 8.529 5.401 1.00 0.81 C ATOM 2116 O ILE B 21 -2.781 8.010 5.809 1.00 0.81 O ATOM 2117 CB ILE B 21 0.310 7.629 6.531 1.00 0.88 C ATOM 2118 CG1 ILE B 21 1.091 8.925 6.771 1.00 1.19 C ATOM 2119 CG2 ILE B 21 1.251 6.432 6.512 1.00 1.21 C ATOM 2120 CD1 ILE B 21 1.854 8.946 8.080 1.00 1.38 C ATOM 0 H ILE B 21 1.220 8.611 4.392 1.00 0.81 H new ATOM 0 HA ILE B 21 -0.771 6.681 4.932 1.00 0.82 H new ATOM 0 HB ILE B 21 -0.397 7.510 7.352 1.00 0.88 H new ATOM 0 HG12 ILE B 21 1.793 9.073 5.950 1.00 1.19 H new ATOM 0 HG13 ILE B 21 0.397 9.765 6.752 1.00 1.19 H new ATOM 0 HG21 ILE B 21 1.807 6.391 7.449 1.00 1.21 H new ATOM 0 HG22 ILE B 21 0.672 5.516 6.393 1.00 1.21 H new ATOM 0 HG23 ILE B 21 1.949 6.531 5.680 1.00 1.21 H new ATOM 0 HD11 ILE B 21 2.381 9.895 8.179 1.00 1.38 H new ATOM 0 HD12 ILE B 21 1.156 8.831 8.910 1.00 1.38 H new ATOM 0 HD13 ILE B 21 2.574 8.128 8.095 1.00 1.38 H new ATOM 2132 N GLU B 22 -1.647 9.818 5.098 1.00 0.83 N ATOM 2133 CA GLU B 22 -2.781 10.728 5.225 1.00 0.86 C ATOM 2134 C GLU B 22 -3.859 10.422 4.188 1.00 0.83 C ATOM 2135 O GLU B 22 -5.038 10.308 4.518 1.00 0.84 O ATOM 2136 CB GLU B 22 -2.315 12.173 5.057 1.00 0.94 C ATOM 2137 CG GLU B 22 -1.490 12.684 6.223 1.00 1.11 C ATOM 2138 CD GLU B 22 -2.349 13.241 7.332 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -2.710 14.434 7.266 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -2.668 12.493 8.277 1.00 1.95 O ATOM 0 H GLU B 22 -0.791 10.259 4.761 1.00 0.83 H new ATOM 0 HA GLU B 22 -3.207 10.590 6.219 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -1.726 12.252 4.143 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -3.187 12.815 4.931 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -0.877 11.872 6.614 1.00 1.11 H new ATOM 0 HG3 GLU B 22 -0.808 13.458 5.871 1.00 1.11 H new ATOM 2147 N ALA B 23 -3.440 10.288 2.935 1.00 0.82 N ATOM 2148 CA ALA B 23 -4.358 10.019 1.834 1.00 0.83 C ATOM 2149 C ALA B 23 -5.072 8.685 2.004 1.00 0.79 C ATOM 2150 O ALA B 23 -6.289 8.603 1.860 1.00 0.80 O ATOM 2151 CB ALA B 23 -3.611 10.056 0.509 1.00 0.86 C ATOM 0 H ALA B 23 -2.462 10.362 2.655 1.00 0.82 H new ATOM 0 HA ALA B 23 -5.119 10.799 1.839 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -4.306 9.854 -0.306 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -3.165 11.041 0.370 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -2.826 9.300 0.513 1.00 0.86 H new ATOM 2157 N ILE B 24 -4.308 7.647 2.318 1.00 0.78 N ATOM 2158 CA ILE B 24 -4.869 6.315 2.502 1.00 0.78 C ATOM 2159 C ILE B 24 -5.835 6.294 3.686 1.00 0.74 C ATOM 2160 O ILE B 24 -6.861 5.610 3.649 1.00 0.74 O ATOM 2161 CB ILE B 24 -3.745 5.260 2.652 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -2.992 5.155 1.321 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.307 3.904 3.060 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -1.688 4.391 1.391 1.00 0.89 C ATOM 0 H ILE B 24 -3.298 7.702 2.451 1.00 0.78 H new ATOM 0 HA ILE B 24 -5.441 6.053 1.612 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.062 5.574 3.441 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.641 4.674 0.589 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -2.789 6.161 0.954 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.492 3.187 3.157 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -4.824 3.997 4.015 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.008 3.557 2.301 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.226 4.368 0.404 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -1.016 4.882 2.095 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -1.881 3.371 1.725 1.00 0.89 H new ATOM 2176 N LYS B 25 -5.525 7.073 4.716 1.00 0.74 N ATOM 2177 CA LYS B 25 -6.383 7.159 5.891 1.00 0.75 C ATOM 2178 C LYS B 25 -7.678 7.887 5.541 1.00 0.78 C ATOM 2179 O LYS B 25 -8.743 7.582 6.073 1.00 0.80 O ATOM 2180 CB LYS B 25 -5.663 7.876 7.038 1.00 0.79 C ATOM 2181 CG LYS B 25 -6.387 7.768 8.374 1.00 0.88 C ATOM 2182 CD LYS B 25 -6.350 6.346 8.917 1.00 1.17 C ATOM 2183 CE LYS B 25 -7.636 5.994 9.647 1.00 1.48 C ATOM 2184 NZ LYS B 25 -7.785 6.758 10.913 1.00 1.72 N ATOM 0 H LYS B 25 -4.687 7.653 4.761 1.00 0.74 H new ATOM 0 HA LYS B 25 -6.623 6.147 6.219 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -4.661 7.461 7.143 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -5.547 8.929 6.781 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -5.927 8.445 9.094 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -7.423 8.086 8.254 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -6.193 5.646 8.096 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -5.504 6.236 9.595 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -8.488 6.197 8.999 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -7.649 4.926 9.865 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -8.675 6.488 11.379 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -6.986 6.545 11.543 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -7.799 7.777 10.704 1.00 1.72 H new ATOM 2198 N LYS B 26 -7.573 8.848 4.629 1.00 0.80 N ATOM 2199 CA LYS B 26 -8.726 9.617 4.184 1.00 0.85 C ATOM 2200 C LYS B 26 -9.659 8.732 3.367 1.00 0.83 C ATOM 2201 O LYS B 26 -10.864 8.711 3.594 1.00 0.86 O ATOM 2202 CB LYS B 26 -8.273 10.811 3.332 1.00 0.91 C ATOM 2203 CG LYS B 26 -8.801 12.155 3.808 1.00 1.01 C ATOM 2204 CD LYS B 26 -10.320 12.221 3.742 1.00 1.13 C ATOM 2205 CE LYS B 26 -10.827 13.640 3.927 1.00 1.38 C ATOM 2206 NZ LYS B 26 -12.263 13.667 4.318 1.00 1.39 N ATOM 0 H LYS B 26 -6.695 9.113 4.182 1.00 0.80 H new ATOM 0 HA LYS B 26 -9.256 9.987 5.061 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -7.184 10.844 3.324 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -8.595 10.651 2.303 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -8.474 12.332 4.833 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -8.376 12.950 3.196 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -10.660 11.835 2.781 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.746 11.578 4.512 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -10.233 14.142 4.691 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -10.692 14.198 3.000 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -12.474 14.563 4.802 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -12.856 13.585 3.468 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -12.464 12.872 4.958 1.00 1.39 H new ATOM 2220 N ILE B 27 -9.077 7.979 2.438 1.00 0.80 N ATOM 2221 CA ILE B 27 -9.839 7.090 1.560 1.00 0.81 C ATOM 2222 C ILE B 27 -10.705 6.109 2.351 1.00 0.80 C ATOM 2223 O ILE B 27 -11.904 5.987 2.097 1.00 0.82 O ATOM 2224 CB ILE B 27 -8.899 6.296 0.622 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -8.139 7.251 -0.299 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -9.671 5.268 -0.198 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -9.033 8.139 -1.139 1.00 1.04 C ATOM 0 H ILE B 27 -8.071 7.966 2.271 1.00 0.80 H new ATOM 0 HA ILE B 27 -10.493 7.727 0.965 1.00 0.81 H new ATOM 0 HB ILE B 27 -8.182 5.757 1.242 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -7.485 7.879 0.306 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.498 6.668 -0.961 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -8.981 4.728 -0.846 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -10.165 4.565 0.472 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -10.419 5.776 -0.807 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -8.418 8.787 -1.764 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -9.669 7.520 -1.772 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -9.656 8.750 -0.486 1.00 1.04 H new ATOM 2239 N ILE B 28 -10.102 5.419 3.315 1.00 0.78 N ATOM 2240 CA ILE B 28 -10.837 4.448 4.116 1.00 0.78 C ATOM 2241 C ILE B 28 -11.924 5.130 4.953 1.00 0.81 C ATOM 2242 O ILE B 28 -12.995 4.564 5.170 1.00 0.84 O ATOM 2243 CB ILE B 28 -9.902 3.608 5.024 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -10.665 2.436 5.655 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -9.262 4.466 6.108 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.994 1.322 4.683 1.00 0.97 C ATOM 0 H ILE B 28 -9.116 5.513 3.558 1.00 0.78 H new ATOM 0 HA ILE B 28 -11.315 3.763 3.416 1.00 0.78 H new ATOM 0 HB ILE B 28 -9.106 3.209 4.395 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -10.072 2.027 6.473 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.592 2.811 6.090 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -8.613 3.846 6.727 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -8.674 5.258 5.645 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -10.041 4.908 6.729 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.533 0.531 5.205 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.615 1.714 3.877 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -10.071 0.918 4.266 1.00 0.97 H new ATOM 2258 N ALA B 29 -11.645 6.348 5.415 1.00 0.82 N ATOM 2259 CA ALA B 29 -12.599 7.099 6.218 1.00 0.87 C ATOM 2260 C ALA B 29 -13.844 7.440 5.405 1.00 0.90 C ATOM 2261 O ALA B 29 -14.967 7.194 5.846 1.00 0.93 O ATOM 2262 CB ALA B 29 -11.955 8.369 6.761 1.00 0.90 C ATOM 0 H ALA B 29 -10.764 6.833 5.245 1.00 0.82 H new ATOM 0 HA ALA B 29 -12.901 6.475 7.059 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -12.682 8.919 7.359 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -11.099 8.106 7.382 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -11.623 8.992 5.931 1.00 0.90 H new ATOM 2268 N GLU B 30 -13.633 7.980 4.208 1.00 0.91 N ATOM 2269 CA GLU B 30 -14.738 8.359 3.334 1.00 0.95 C ATOM 2270 C GLU B 30 -15.599 7.146 2.988 1.00 0.95 C ATOM 2271 O GLU B 30 -16.822 7.245 2.909 1.00 0.96 O ATOM 2272 CB GLU B 30 -14.217 9.002 2.045 1.00 1.00 C ATOM 2273 CG GLU B 30 -13.187 10.102 2.257 1.00 1.02 C ATOM 2274 CD GLU B 30 -13.719 11.300 3.022 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -14.097 11.152 4.204 1.00 1.18 O ATOM 2276 OE2 GLU B 30 -13.716 12.412 2.456 1.00 1.38 O ATOM 0 H GLU B 30 -12.707 8.165 3.822 1.00 0.91 H new ATOM 0 HA GLU B 30 -15.349 9.085 3.871 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -13.776 8.226 1.420 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -15.062 9.415 1.493 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -12.334 9.689 2.795 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.821 10.436 1.286 1.00 1.02 H new ATOM 2283 N PHE B 31 -14.952 5.998 2.799 1.00 0.96 N ATOM 2284 CA PHE B 31 -15.655 4.763 2.465 1.00 0.99 C ATOM 2285 C PHE B 31 -16.682 4.415 3.538 1.00 0.97 C ATOM 2286 O PHE B 31 -17.838 4.113 3.235 1.00 1.01 O ATOM 2287 CB PHE B 31 -14.658 3.610 2.298 1.00 1.01 C ATOM 2288 CG PHE B 31 -14.476 3.168 0.873 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -15.379 2.301 0.281 1.00 1.68 C ATOM 2290 CD2 PHE B 31 -13.394 3.613 0.129 1.00 1.50 C ATOM 2291 CE1 PHE B 31 -15.211 1.889 -1.027 1.00 1.83 C ATOM 2292 CE2 PHE B 31 -13.222 3.207 -1.179 1.00 1.59 C ATOM 2293 CZ PHE B 31 -14.130 2.341 -1.758 1.00 1.37 C ATOM 0 H PHE B 31 -13.940 5.898 2.872 1.00 0.96 H new ATOM 0 HA PHE B 31 -16.180 4.916 1.522 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -13.692 3.916 2.700 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -14.996 2.761 2.892 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -16.225 1.942 0.849 1.00 1.68 H new ATOM 0 HD2 PHE B 31 -12.678 4.285 0.578 1.00 1.50 H new ATOM 0 HE1 PHE B 31 -15.924 1.214 -1.477 1.00 1.83 H new ATOM 0 HE2 PHE B 31 -12.378 3.566 -1.750 1.00 1.59 H new ATOM 0 HZ PHE B 31 -13.995 2.018 -2.780 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.263 4.483 4.795 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.151 4.175 5.913 1.00 0.93 C ATOM 2305 C ASP B 32 -18.212 5.263 6.066 1.00 0.93 C ATOM 2306 O ASP B 32 -19.366 4.978 6.398 1.00 0.96 O ATOM 2307 CB ASP B 32 -16.348 4.032 7.210 1.00 0.94 C ATOM 2308 CG ASP B 32 -17.208 3.674 8.407 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -17.767 2.558 8.434 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -17.343 4.517 9.318 1.00 1.54 O ATOM 0 H ASP B 32 -15.316 4.748 5.068 1.00 0.94 H new ATOM 0 HA ASP B 32 -17.650 3.228 5.706 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -15.586 3.264 7.075 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -15.826 4.967 7.412 1.00 0.94 H new ATOM 2315 N VAL B 33 -17.814 6.508 5.810 1.00 0.92 N ATOM 2316 CA VAL B 33 -18.724 7.643 5.907 1.00 0.93 C ATOM 2317 C VAL B 33 -19.837 7.532 4.862 1.00 0.94 C ATOM 2318 O VAL B 33 -21.019 7.589 5.198 1.00 0.95 O ATOM 2319 CB VAL B 33 -17.971 8.988 5.731 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -18.937 10.142 5.507 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -17.086 9.267 6.936 1.00 0.92 C ATOM 0 H VAL B 33 -16.864 6.755 5.533 1.00 0.92 H new ATOM 0 HA VAL B 33 -19.166 7.625 6.903 1.00 0.93 H new ATOM 0 HB VAL B 33 -17.342 8.900 4.845 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -18.375 11.069 5.388 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -19.525 9.955 4.608 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -19.604 10.230 6.365 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -16.566 10.214 6.794 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -17.701 9.322 7.834 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -16.356 8.465 7.045 1.00 0.92 H new ATOM 2331 N VAL B 34 -19.445 7.342 3.603 1.00 0.96 N ATOM 2332 CA VAL B 34 -20.397 7.218 2.502 1.00 0.99 C ATOM 2333 C VAL B 34 -21.342 6.044 2.740 1.00 1.00 C ATOM 2334 O VAL B 34 -22.525 6.121 2.423 1.00 1.02 O ATOM 2335 CB VAL B 34 -19.671 7.050 1.143 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -20.656 6.703 0.030 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -18.901 8.318 0.794 1.00 1.13 C ATOM 0 H VAL B 34 -18.468 7.270 3.320 1.00 0.96 H new ATOM 0 HA VAL B 34 -20.979 8.139 2.464 1.00 0.99 H new ATOM 0 HB VAL B 34 -18.966 6.224 1.237 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -20.117 6.591 -0.911 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -21.163 5.769 0.271 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -21.392 7.501 -0.066 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -18.396 8.185 -0.163 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -19.593 9.157 0.726 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -18.162 8.520 1.569 1.00 1.13 H new ATOM 2347 N LYS B 35 -20.817 4.971 3.321 1.00 1.01 N ATOM 2348 CA LYS B 35 -21.611 3.782 3.615 1.00 1.05 C ATOM 2349 C LYS B 35 -22.773 4.116 4.554 1.00 1.03 C ATOM 2350 O LYS B 35 -23.922 3.742 4.297 1.00 1.05 O ATOM 2351 CB LYS B 35 -20.714 2.702 4.231 1.00 1.08 C ATOM 2352 CG LYS B 35 -21.463 1.492 4.754 1.00 1.13 C ATOM 2353 CD LYS B 35 -20.526 0.309 4.945 1.00 1.32 C ATOM 2354 CE LYS B 35 -21.093 -0.706 5.927 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.525 -1.002 5.664 1.00 1.86 N ATOM 0 H LYS B 35 -19.838 4.900 3.600 1.00 1.01 H new ATOM 0 HA LYS B 35 -22.034 3.406 2.684 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -19.994 2.373 3.481 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -20.144 3.143 5.049 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -21.941 1.738 5.702 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -22.257 1.223 4.057 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -20.349 -0.174 3.984 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -19.561 0.664 5.306 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -20.516 -1.629 5.867 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -20.983 -0.327 6.943 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -22.819 -1.825 6.228 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -23.104 -0.179 5.926 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -22.657 -1.210 4.654 1.00 1.86 H new ATOM 2369 N GLU B 36 -22.475 4.818 5.635 1.00 1.00 N ATOM 2370 CA GLU B 36 -23.502 5.189 6.600 1.00 1.00 C ATOM 2371 C GLU B 36 -24.396 6.313 6.061 1.00 0.96 C ATOM 2372 O GLU B 36 -25.604 6.343 6.320 1.00 0.97 O ATOM 2373 CB GLU B 36 -22.864 5.609 7.927 1.00 1.01 C ATOM 2374 CG GLU B 36 -23.816 5.528 9.113 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.332 4.122 9.359 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -25.272 3.691 8.657 1.00 1.40 O ATOM 2377 OE2 GLU B 36 -23.802 3.443 10.264 1.00 1.57 O ATOM 0 H GLU B 36 -21.536 5.142 5.867 1.00 1.00 H new ATOM 0 HA GLU B 36 -24.129 4.314 6.771 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -21.999 4.975 8.122 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -22.496 6.631 7.836 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.305 5.884 10.008 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -24.661 6.195 8.941 1.00 1.15 H new ATOM 2384 N SER B 37 -23.815 7.221 5.291 1.00 0.00 N ATOM 2385 CA SER B 37 -24.525 8.366 4.728 1.00 0.00 C ATOM 2386 C SER B 37 -25.632 7.915 3.805 1.00 0.00 C ATOM 2387 O SER B 37 -26.768 8.373 3.930 1.00 0.00 O ATOM 2388 CB SER B 37 -23.543 9.327 4.013 1.00 0.00 C ATOM 2389 OG SER B 37 -22.630 9.963 4.914 1.00 0.00 O ATOM 0 H SER B 37 -22.828 7.186 5.035 1.00 0.00 H new ATOM 0 HA SER B 37 -24.987 8.917 5.547 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.979 8.771 3.265 1.00 0.00 H new ATOM 0 HB3 SER B 37 -24.112 10.090 3.481 1.00 0.00 H new ATOM 0 HG SER B 37 -21.946 9.320 5.194 1.00 0.00 H new ATOM 2395 N VAL B 38 -25.314 7.071 2.834 1.00 0.96 N ATOM 2396 CA VAL B 38 -26.304 6.598 1.871 1.00 1.00 C ATOM 2397 C VAL B 38 -27.372 5.756 2.554 1.00 1.02 C ATOM 2398 O VAL B 38 -28.516 5.707 2.104 1.00 1.04 O ATOM 2399 CB VAL B 38 -25.671 5.792 0.714 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -24.740 6.674 -0.104 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -24.938 4.555 1.222 1.00 1.07 C ATOM 0 H VAL B 38 -24.376 6.697 2.690 1.00 0.96 H new ATOM 0 HA VAL B 38 -26.762 7.490 1.444 1.00 1.00 H new ATOM 0 HB VAL B 38 -26.480 5.448 0.070 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -24.304 6.090 -0.914 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -25.303 7.509 -0.521 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -23.945 7.057 0.536 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -24.507 4.015 0.379 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -24.143 4.857 1.904 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -25.639 3.907 1.747 1.00 1.07 H new ATOM 2411 N ASN B 39 -26.992 5.105 3.644 1.00 1.03 N ATOM 2412 CA ASN B 39 -27.915 4.272 4.404 1.00 1.07 C ATOM 2413 C ASN B 39 -29.081 5.118 4.918 1.00 1.05 C ATOM 2414 O ASN B 39 -30.252 4.799 4.690 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.171 3.612 5.572 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.071 2.800 6.491 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -29.092 2.257 6.070 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -27.688 2.703 7.755 1.00 1.25 N ATOM 0 H ASN B 39 -26.046 5.138 4.024 1.00 1.03 H new ATOM 0 HA ASN B 39 -28.315 3.492 3.757 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -26.392 2.962 5.174 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -26.673 4.385 6.157 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -28.246 2.164 8.417 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -26.835 3.168 8.067 1.00 1.25 H new ATOM 2425 N GLU B 40 -28.747 6.226 5.569 1.00 1.02 N ATOM 2426 CA GLU B 40 -29.753 7.122 6.127 1.00 1.02 C ATOM 2427 C GLU B 40 -30.430 7.937 5.029 1.00 0.98 C ATOM 2428 O GLU B 40 -31.631 8.195 5.084 1.00 1.01 O ATOM 2429 CB GLU B 40 -29.120 8.052 7.164 1.00 1.04 C ATOM 2430 CG GLU B 40 -30.123 8.983 7.828 1.00 1.24 C ATOM 2431 CD GLU B 40 -29.557 9.719 9.022 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -28.333 9.627 9.269 1.00 2.04 O ATOM 2433 OE2 GLU B 40 -30.342 10.393 9.719 1.00 1.92 O ATOM 0 H GLU B 40 -27.785 6.526 5.724 1.00 1.02 H new ATOM 0 HA GLU B 40 -30.514 6.514 6.616 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -28.630 7.451 7.930 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -28.345 8.648 6.682 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -30.474 9.710 7.095 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -30.991 8.404 8.145 1.00 1.24 H new ATOM 2440 N LEU B 41 -29.658 8.325 4.025 1.00 0.95 N ATOM 2441 CA LEU B 41 -30.179 9.108 2.912 1.00 0.94 C ATOM 2442 C LEU B 41 -31.298 8.351 2.204 1.00 0.95 C ATOM 2443 O LEU B 41 -32.301 8.940 1.815 1.00 0.97 O ATOM 2444 CB LEU B 41 -29.059 9.442 1.922 1.00 0.92 C ATOM 2445 CG LEU B 41 -29.434 10.437 0.818 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -29.772 11.802 1.402 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -28.305 10.559 -0.192 1.00 1.01 C ATOM 0 H LEU B 41 -28.663 8.110 3.957 1.00 0.95 H new ATOM 0 HA LEU B 41 -30.584 10.039 3.308 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -28.213 9.845 2.479 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -28.722 8.517 1.455 1.00 0.92 H new ATOM 0 HG LEU B 41 -30.320 10.058 0.309 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -30.034 12.488 0.596 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -30.615 11.706 2.086 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -28.909 12.190 1.942 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -28.587 11.269 -0.969 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -27.404 10.910 0.310 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -28.113 9.585 -0.643 1.00 1.01 H new ATOM 2459 N SER B 42 -31.121 7.044 2.053 1.00 0.97 N ATOM 2460 CA SER B 42 -32.120 6.207 1.405 1.00 1.01 C ATOM 2461 C SER B 42 -33.372 6.098 2.271 1.00 1.02 C ATOM 2462 O SER B 42 -34.485 5.970 1.754 1.00 1.03 O ATOM 2463 CB SER B 42 -31.549 4.816 1.125 1.00 1.07 C ATOM 2464 OG SER B 42 -30.386 4.895 0.316 1.00 1.56 O ATOM 0 H SER B 42 -30.293 6.541 2.372 1.00 0.97 H new ATOM 0 HA SER B 42 -32.393 6.671 0.457 1.00 1.01 H new ATOM 0 HB2 SER B 42 -31.308 4.322 2.066 1.00 1.07 H new ATOM 0 HB3 SER B 42 -32.301 4.204 0.627 1.00 1.07 H new ATOM 0 HG SER B 42 -29.642 5.247 0.847 1.00 1.56 H new ATOM 2470 N GLU B 43 -33.184 6.154 3.585 1.00 1.04 N ATOM 2471 CA GLU B 43 -34.298 6.077 4.520 1.00 1.07 C ATOM 2472 C GLU B 43 -35.219 7.290 4.364 1.00 1.05 C ATOM 2473 O GLU B 43 -36.442 7.153 4.315 1.00 1.10 O ATOM 2474 CB GLU B 43 -33.780 5.998 5.958 1.00 1.12 C ATOM 2475 CG GLU B 43 -34.882 5.875 6.998 1.00 1.24 C ATOM 2476 CD GLU B 43 -34.819 6.960 8.052 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -34.463 8.108 7.717 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -35.138 6.672 9.223 1.00 1.92 O ATOM 0 H GLU B 43 -32.270 6.253 4.026 1.00 1.04 H new ATOM 0 HA GLU B 43 -34.868 5.175 4.298 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -33.111 5.142 6.047 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -33.189 6.889 6.171 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.851 5.914 6.500 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -34.812 4.901 7.482 1.00 1.24 H new ATOM 2485 N LYS B 44 -34.619 8.472 4.283 1.00 1.00 N ATOM 2486 CA LYS B 44 -35.375 9.713 4.138 1.00 1.00 C ATOM 2487 C LYS B 44 -35.970 9.826 2.735 1.00 0.98 C ATOM 2488 O LYS B 44 -37.116 10.246 2.558 1.00 1.03 O ATOM 2489 CB LYS B 44 -34.464 10.921 4.409 1.00 1.01 C ATOM 2490 CG LYS B 44 -33.606 10.793 5.664 1.00 1.06 C ATOM 2491 CD LYS B 44 -34.336 11.284 6.902 1.00 1.17 C ATOM 2492 CE LYS B 44 -33.386 11.456 8.079 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.143 10.177 8.798 1.00 1.35 N ATOM 0 H LYS B 44 -33.607 8.598 4.315 1.00 1.00 H new ATOM 0 HA LYS B 44 -36.189 9.702 4.863 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -33.810 11.068 3.550 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -35.082 11.815 4.495 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -33.318 9.751 5.802 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -32.686 11.364 5.535 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -34.824 12.234 6.685 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -35.121 10.576 7.167 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -32.437 11.856 7.722 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -33.799 12.188 8.773 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -32.157 10.145 9.126 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -33.782 10.112 9.616 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -33.320 9.379 8.156 1.00 1.35 H new ATOM 2507 N ALA B 45 -35.186 9.418 1.745 1.00 0.98 N ATOM 2508 CA ALA B 45 -35.589 9.483 0.345 1.00 0.99 C ATOM 2509 C ALA B 45 -36.708 8.503 0.012 1.00 1.01 C ATOM 2510 O ALA B 45 -37.390 8.663 -0.999 1.00 1.03 O ATOM 2511 CB ALA B 45 -34.389 9.223 -0.549 1.00 1.01 C ATOM 0 H ALA B 45 -34.253 9.033 1.890 1.00 0.98 H new ATOM 0 HA ALA B 45 -35.977 10.486 0.166 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -34.696 9.273 -1.594 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -33.624 9.976 -0.359 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -33.985 8.233 -0.336 1.00 1.01 H new ATOM 2517 N LYS B 46 -36.905 7.500 0.863 1.00 1.04 N ATOM 2518 CA LYS B 46 -37.943 6.495 0.636 1.00 1.10 C ATOM 2519 C LYS B 46 -39.333 7.130 0.610 1.00 1.12 C ATOM 2520 O LYS B 46 -40.267 6.581 0.032 1.00 1.18 O ATOM 2521 CB LYS B 46 -37.881 5.407 1.719 1.00 1.18 C ATOM 2522 CG LYS B 46 -38.868 4.270 1.500 1.00 1.46 C ATOM 2523 CD LYS B 46 -38.547 3.478 0.241 1.00 1.98 C ATOM 2524 CE LYS B 46 -39.737 2.652 -0.213 1.00 2.66 C ATOM 2525 NZ LYS B 46 -40.791 3.480 -0.854 1.00 3.40 N ATOM 0 H LYS B 46 -36.362 7.360 1.715 1.00 1.04 H new ATOM 0 HA LYS B 46 -37.759 6.040 -0.337 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -36.871 4.998 1.754 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -38.074 5.862 2.690 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -38.852 3.604 2.363 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -39.878 4.674 1.428 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -38.252 4.161 -0.555 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -37.697 2.822 0.429 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -39.400 1.890 -0.916 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -40.161 2.129 0.644 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -41.727 3.155 -0.539 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -40.661 4.476 -0.585 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -40.723 3.389 -1.888 1.00 3.40 H new ATOM 2539 N THR B 47 -39.453 8.299 1.224 1.00 1.10 N ATOM 2540 CA THR B 47 -40.720 9.005 1.279 1.00 1.16 C ATOM 2541 C THR B 47 -41.092 9.623 -0.074 1.00 1.17 C ATOM 2542 O THR B 47 -42.262 9.905 -0.332 1.00 1.27 O ATOM 2543 CB THR B 47 -40.680 10.116 2.349 1.00 1.24 C ATOM 2544 OG1 THR B 47 -39.761 9.759 3.395 1.00 1.54 O ATOM 2545 CG2 THR B 47 -42.061 10.354 2.943 1.00 1.41 C ATOM 0 H THR B 47 -38.683 8.778 1.692 1.00 1.10 H new ATOM 0 HA THR B 47 -41.479 8.268 1.541 1.00 1.16 H new ATOM 0 HB THR B 47 -40.347 11.036 1.868 1.00 1.24 H new ATOM 0 HG1 THR B 47 -38.857 10.046 3.148 1.00 1.54 H new ATOM 0 HG21 THR B 47 -42.003 11.142 3.694 1.00 1.41 H new ATOM 0 HG22 THR B 47 -42.750 10.655 2.154 1.00 1.41 H new ATOM 0 HG23 THR B 47 -42.421 9.436 3.407 1.00 1.41 H new ATOM 2553 N ASP B 48 -40.103 9.812 -0.942 1.00 1.14 N ATOM 2554 CA ASP B 48 -40.341 10.418 -2.247 1.00 1.18 C ATOM 2555 C ASP B 48 -39.994 9.444 -3.372 1.00 1.14 C ATOM 2556 O ASP B 48 -38.903 8.882 -3.395 1.00 1.10 O ATOM 2557 CB ASP B 48 -39.520 11.700 -2.378 1.00 1.23 C ATOM 2558 CG ASP B 48 -39.767 12.422 -3.684 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -40.726 13.213 -3.758 1.00 1.39 O ATOM 2560 OD2 ASP B 48 -38.983 12.230 -4.633 1.00 1.43 O ATOM 0 H ASP B 48 -39.132 9.555 -0.766 1.00 1.14 H new ATOM 0 HA ASP B 48 -41.400 10.662 -2.330 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -39.759 12.366 -1.549 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -38.460 11.458 -2.297 1.00 1.23 H new ATOM 2565 N PRO B 49 -40.925 9.227 -4.316 1.00 1.20 N ATOM 2566 CA PRO B 49 -40.715 8.303 -5.439 1.00 1.22 C ATOM 2567 C PRO B 49 -39.512 8.680 -6.308 1.00 1.24 C ATOM 2568 O PRO B 49 -38.782 7.809 -6.786 1.00 1.24 O ATOM 2569 CB PRO B 49 -42.017 8.398 -6.244 1.00 1.33 C ATOM 2570 CG PRO B 49 -42.674 9.658 -5.792 1.00 1.36 C ATOM 2571 CD PRO B 49 -42.257 9.859 -4.366 1.00 1.29 C ATOM 0 HA PRO B 49 -40.493 7.296 -5.086 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -41.815 8.423 -7.315 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -42.656 7.534 -6.060 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -42.366 10.501 -6.410 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -43.758 9.583 -5.874 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -42.212 10.916 -4.104 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -42.953 9.388 -3.672 1.00 1.29 H new ATOM 2579 N GLN B 50 -39.299 9.977 -6.490 1.00 1.28 N ATOM 2580 CA GLN B 50 -38.190 10.466 -7.299 1.00 1.33 C ATOM 2581 C GLN B 50 -36.874 10.237 -6.566 1.00 1.22 C ATOM 2582 O GLN B 50 -35.912 9.711 -7.128 1.00 1.22 O ATOM 2583 CB GLN B 50 -38.361 11.957 -7.600 1.00 1.45 C ATOM 2584 CG GLN B 50 -39.624 12.294 -8.378 1.00 1.58 C ATOM 2585 CD GLN B 50 -39.987 13.766 -8.288 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -39.798 14.352 -7.112 1.00 1.81 O flip ATOM 2587 NE2 GLN B 50 -40.447 14.366 -9.260 1.00 1.66 N flip ATOM 0 H GLN B 50 -39.881 10.711 -6.087 1.00 1.28 H new ATOM 0 HA GLN B 50 -38.180 9.918 -8.241 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -38.369 12.508 -6.659 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -37.496 12.304 -8.165 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -39.486 12.020 -9.424 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -40.452 11.695 -7.998 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -40.576 13.878 -10.146 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -40.699 15.351 -9.179 1.00 1.66 H new ATOM 2596 N ALA B 51 -36.852 10.628 -5.300 1.00 1.15 N ATOM 2597 CA ALA B 51 -35.668 10.478 -4.465 1.00 1.08 C ATOM 2598 C ALA B 51 -35.284 9.009 -4.308 1.00 1.00 C ATOM 2599 O ALA B 51 -34.103 8.662 -4.334 1.00 0.98 O ATOM 2600 CB ALA B 51 -35.900 11.120 -3.110 1.00 1.09 C ATOM 0 H ALA B 51 -37.647 11.055 -4.825 1.00 1.15 H new ATOM 0 HA ALA B 51 -34.838 10.985 -4.956 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -35.009 11.002 -2.494 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -36.112 12.181 -3.242 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -36.746 10.639 -2.620 1.00 1.09 H new ATOM 2606 N ALA B 52 -36.291 8.149 -4.154 1.00 0.99 N ATOM 2607 CA ALA B 52 -36.064 6.713 -4.017 1.00 0.98 C ATOM 2608 C ALA B 52 -35.383 6.164 -5.268 1.00 1.02 C ATOM 2609 O ALA B 52 -34.559 5.251 -5.193 1.00 1.03 O ATOM 2610 CB ALA B 52 -37.373 5.981 -3.768 1.00 1.03 C ATOM 0 H ALA B 52 -37.273 8.424 -4.121 1.00 0.99 H new ATOM 0 HA ALA B 52 -35.411 6.550 -3.159 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -37.179 4.913 -3.669 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -37.829 6.353 -2.851 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -38.050 6.151 -4.605 1.00 1.03 H new ATOM 2616 N GLU B 53 -35.731 6.740 -6.415 1.00 1.09 N ATOM 2617 CA GLU B 53 -35.153 6.332 -7.686 1.00 1.18 C ATOM 2618 C GLU B 53 -33.711 6.832 -7.786 1.00 1.17 C ATOM 2619 O GLU B 53 -32.838 6.148 -8.319 1.00 1.23 O ATOM 2620 CB GLU B 53 -35.994 6.875 -8.849 1.00 1.28 C ATOM 2621 CG GLU B 53 -35.542 6.396 -10.221 1.00 1.45 C ATOM 2622 CD GLU B 53 -35.287 4.902 -10.267 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -36.247 4.120 -10.121 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -34.120 4.505 -10.464 1.00 1.58 O ATOM 0 H GLU B 53 -36.414 7.494 -6.487 1.00 1.09 H new ATOM 0 HA GLU B 53 -35.150 5.244 -7.743 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -37.033 6.583 -8.699 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -35.963 7.964 -8.828 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -36.302 6.653 -10.959 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -34.631 6.924 -10.503 1.00 1.45 H new ATOM 2631 N LYS B 54 -33.464 8.025 -7.248 1.00 1.13 N ATOM 2632 CA LYS B 54 -32.129 8.610 -7.269 1.00 1.14 C ATOM 2633 C LYS B 54 -31.150 7.725 -6.506 1.00 1.05 C ATOM 2634 O LYS B 54 -30.038 7.465 -6.973 1.00 1.09 O ATOM 2635 CB LYS B 54 -32.138 10.019 -6.664 1.00 1.16 C ATOM 2636 CG LYS B 54 -32.992 11.018 -7.438 1.00 1.32 C ATOM 2637 CD LYS B 54 -32.800 12.442 -6.932 1.00 1.48 C ATOM 2638 CE LYS B 54 -31.493 13.044 -7.428 1.00 1.68 C ATOM 2639 NZ LYS B 54 -31.365 14.477 -7.059 1.00 2.09 N ATOM 0 H LYS B 54 -34.171 8.603 -6.793 1.00 1.13 H new ATOM 0 HA LYS B 54 -31.810 8.682 -8.309 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -32.503 9.961 -5.639 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -31.114 10.390 -6.617 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -32.736 10.971 -8.496 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -34.043 10.741 -7.352 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -33.634 13.061 -7.262 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -32.812 12.446 -5.842 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -30.655 12.486 -7.010 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -31.435 12.942 -8.512 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -30.461 14.848 -7.416 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -32.150 15.015 -7.479 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -31.394 14.573 -6.024 1.00 2.09 H new ATOM 2653 N LEU B 55 -31.576 7.256 -5.337 1.00 0.98 N ATOM 2654 CA LEU B 55 -30.741 6.393 -4.511 1.00 0.95 C ATOM 2655 C LEU B 55 -30.594 5.013 -5.146 1.00 0.99 C ATOM 2656 O LEU B 55 -29.569 4.352 -4.981 1.00 0.99 O ATOM 2657 CB LEU B 55 -31.320 6.274 -3.098 1.00 0.94 C ATOM 2658 CG LEU B 55 -30.747 7.259 -2.070 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -29.233 7.117 -1.974 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -31.126 8.691 -2.423 1.00 1.09 C ATOM 0 H LEU B 55 -32.494 7.459 -4.941 1.00 0.98 H new ATOM 0 HA LEU B 55 -29.751 6.844 -4.441 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -32.399 6.417 -3.152 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -31.151 5.259 -2.738 1.00 0.94 H new ATOM 0 HG LEU B 55 -31.178 7.021 -1.097 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -28.847 7.824 -1.240 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -28.982 6.102 -1.667 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -28.786 7.323 -2.946 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -30.709 9.371 -1.680 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -30.729 8.940 -3.407 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -32.212 8.788 -2.434 1.00 1.09 H new ATOM 2672 N ASN B 56 -31.621 4.585 -5.874 1.00 1.06 N ATOM 2673 CA ASN B 56 -31.594 3.297 -6.554 1.00 1.16 C ATOM 2674 C ASN B 56 -30.459 3.273 -7.570 1.00 1.20 C ATOM 2675 O ASN B 56 -29.703 2.309 -7.665 1.00 1.26 O ATOM 2676 CB ASN B 56 -32.937 3.036 -7.246 1.00 1.26 C ATOM 2677 CG ASN B 56 -32.890 1.847 -8.187 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -32.752 0.703 -7.753 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -33.039 2.107 -9.475 1.00 1.58 N ATOM 0 H ASN B 56 -32.483 5.113 -6.007 1.00 1.06 H new ATOM 0 HA ASN B 56 -31.425 2.510 -5.819 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -33.703 2.866 -6.490 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -33.232 3.924 -7.804 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -33.043 1.344 -10.152 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -33.150 3.070 -9.791 1.00 1.58 H new ATOM 2686 N LYS B 57 -30.327 4.366 -8.304 1.00 1.21 N ATOM 2687 CA LYS B 57 -29.283 4.491 -9.307 1.00 1.29 C ATOM 2688 C LYS B 57 -27.918 4.646 -8.653 1.00 1.21 C ATOM 2689 O LYS B 57 -26.904 4.185 -9.181 1.00 1.26 O ATOM 2690 CB LYS B 57 -29.568 5.694 -10.200 1.00 1.39 C ATOM 2691 CG LYS B 57 -30.726 5.474 -11.150 1.00 1.52 C ATOM 2692 CD LYS B 57 -31.307 6.785 -11.654 1.00 1.62 C ATOM 2693 CE LYS B 57 -32.310 6.557 -12.776 1.00 1.73 C ATOM 2694 NZ LYS B 57 -32.955 5.219 -12.697 1.00 1.81 N ATOM 0 H LYS B 57 -30.933 5.183 -8.223 1.00 1.21 H new ATOM 0 HA LYS B 57 -29.274 3.583 -9.910 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -29.781 6.560 -9.574 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -28.674 5.929 -10.777 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -30.391 4.877 -11.998 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -31.505 4.903 -10.645 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -31.793 7.309 -10.831 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -30.502 7.428 -12.010 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -33.077 7.330 -12.736 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -31.805 6.658 -13.737 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -33.745 5.174 -13.372 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -32.258 4.483 -12.930 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -33.314 5.063 -11.734 1.00 1.81 H new ATOM 2708 N LEU B 58 -27.902 5.294 -7.495 1.00 1.12 N ATOM 2709 CA LEU B 58 -26.665 5.527 -6.760 1.00 1.09 C ATOM 2710 C LEU B 58 -26.040 4.212 -6.292 1.00 1.08 C ATOM 2711 O LEU B 58 -24.870 3.935 -6.565 1.00 1.11 O ATOM 2712 CB LEU B 58 -26.932 6.431 -5.550 1.00 1.06 C ATOM 2713 CG LEU B 58 -26.233 7.797 -5.574 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -24.721 7.636 -5.634 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -26.729 8.635 -6.744 1.00 1.40 C ATOM 0 H LEU B 58 -28.736 5.669 -7.043 1.00 1.12 H new ATOM 0 HA LEU B 58 -25.964 6.018 -7.434 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -28.007 6.595 -5.472 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -26.624 5.901 -4.649 1.00 1.06 H new ATOM 0 HG LEU B 58 -26.481 8.317 -4.649 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -24.251 8.619 -5.650 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -24.379 7.084 -4.758 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -24.449 7.089 -6.537 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -26.221 9.599 -6.742 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -26.518 8.115 -7.679 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -27.804 8.791 -6.650 1.00 1.40 H new ATOM 2727 N ILE B 59 -26.835 3.394 -5.609 1.00 1.08 N ATOM 2728 CA ILE B 59 -26.355 2.119 -5.092 1.00 1.15 C ATOM 2729 C ILE B 59 -25.950 1.174 -6.228 1.00 1.25 C ATOM 2730 O ILE B 59 -24.946 0.466 -6.121 1.00 1.32 O ATOM 2731 CB ILE B 59 -27.397 1.441 -4.162 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -26.775 0.238 -3.444 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -28.646 1.017 -4.924 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -25.771 0.623 -2.375 1.00 1.37 C ATOM 0 H ILE B 59 -27.814 3.592 -5.401 1.00 1.08 H new ATOM 0 HA ILE B 59 -25.469 2.334 -4.494 1.00 1.15 H new ATOM 0 HB ILE B 59 -27.700 2.179 -3.419 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -27.569 -0.354 -2.989 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -26.284 -0.400 -4.179 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -29.349 0.547 -4.237 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.111 1.893 -5.376 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -28.372 0.307 -5.705 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -25.372 -0.278 -1.909 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -24.957 1.189 -2.828 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -26.262 1.235 -1.619 1.00 1.37 H new ATOM 2746 N GLU B 60 -26.712 1.179 -7.319 1.00 1.29 N ATOM 2747 CA GLU B 60 -26.405 0.327 -8.460 1.00 1.44 C ATOM 2748 C GLU B 60 -25.070 0.741 -9.061 1.00 1.40 C ATOM 2749 O GLU B 60 -24.252 -0.106 -9.429 1.00 1.51 O ATOM 2750 CB GLU B 60 -27.516 0.408 -9.506 1.00 1.54 C ATOM 2751 CG GLU B 60 -27.509 -0.750 -10.488 1.00 1.75 C ATOM 2752 CD GLU B 60 -28.680 -0.705 -11.445 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -28.610 0.035 -12.449 1.00 2.17 O ATOM 2754 OE2 GLU B 60 -29.680 -1.413 -11.204 1.00 2.28 O ATOM 0 H GLU B 60 -27.542 1.761 -7.435 1.00 1.29 H new ATOM 0 HA GLU B 60 -26.336 -0.707 -8.123 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -28.480 0.438 -8.999 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -27.417 1.343 -10.058 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -26.579 -0.735 -11.056 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -27.530 -1.690 -9.937 1.00 1.75 H new ATOM 2761 N GLY B 61 -24.849 2.049 -9.126 1.00 1.29 N ATOM 2762 CA GLY B 61 -23.608 2.566 -9.658 1.00 1.28 C ATOM 2763 C GLY B 61 -22.426 2.178 -8.793 1.00 1.21 C ATOM 2764 O GLY B 61 -21.331 1.932 -9.295 1.00 1.23 O ATOM 0 H GLY B 61 -25.512 2.761 -8.818 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -23.459 2.188 -10.669 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -23.666 3.652 -9.729 1.00 1.28 H new ATOM 2768 N TYR B 62 -22.649 2.136 -7.484 1.00 1.19 N ATOM 2769 CA TYR B 62 -21.605 1.748 -6.538 1.00 1.23 C ATOM 2770 C TYR B 62 -21.325 0.253 -6.632 1.00 1.35 C ATOM 2771 O TYR B 62 -20.188 -0.188 -6.476 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.002 2.109 -5.105 1.00 1.28 C ATOM 2773 CG TYR B 62 -21.757 3.557 -4.744 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -20.587 4.213 -5.120 1.00 2.25 C ATOM 2775 CD2 TYR B 62 -22.702 4.268 -4.019 1.00 2.11 C ATOM 2776 CE1 TYR B 62 -20.372 5.536 -4.782 1.00 2.90 C ATOM 2777 CE2 TYR B 62 -22.494 5.591 -3.680 1.00 2.72 C ATOM 2778 CZ TYR B 62 -21.328 6.219 -4.063 1.00 2.96 C ATOM 2779 OH TYR B 62 -21.116 7.537 -3.730 1.00 3.75 O ATOM 0 H TYR B 62 -23.544 2.366 -7.052 1.00 1.19 H new ATOM 0 HA TYR B 62 -20.700 2.297 -6.798 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -23.059 1.884 -4.964 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -21.447 1.474 -4.414 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -19.836 3.680 -5.684 1.00 2.25 H new ATOM 0 HD2 TYR B 62 -23.616 3.779 -3.714 1.00 2.11 H new ATOM 0 HE1 TYR B 62 -19.460 6.031 -5.080 1.00 2.90 H new ATOM 0 HE2 TYR B 62 -23.241 6.131 -3.118 1.00 2.72 H new ATOM 0 HH TYR B 62 -21.885 7.874 -3.224 1.00 3.75 H new ATOM 2789 N THR B 63 -22.372 -0.522 -6.888 1.00 1.51 N ATOM 2790 CA THR B 63 -22.239 -1.970 -7.004 1.00 1.71 C ATOM 2791 C THR B 63 -21.428 -2.332 -8.245 1.00 1.67 C ATOM 2792 O THR B 63 -20.518 -3.156 -8.190 1.00 1.80 O ATOM 2793 CB THR B 63 -23.617 -2.662 -7.080 1.00 1.94 C ATOM 2794 OG1 THR B 63 -24.466 -2.214 -6.008 1.00 2.00 O ATOM 2795 CG2 THR B 63 -23.471 -4.175 -7.012 1.00 2.31 C ATOM 0 H THR B 63 -23.321 -0.173 -7.019 1.00 1.51 H new ATOM 0 HA THR B 63 -21.723 -2.321 -6.110 1.00 1.71 H new ATOM 0 HB THR B 63 -24.070 -2.395 -8.035 1.00 1.94 H new ATOM 0 HG1 THR B 63 -24.675 -1.265 -6.131 1.00 2.00 H new ATOM 0 HG21 THR B 63 -24.456 -4.638 -7.067 1.00 2.31 H new ATOM 0 HG22 THR B 63 -22.860 -4.519 -7.847 1.00 2.31 H new ATOM 0 HG23 THR B 63 -22.992 -4.452 -6.073 1.00 2.31 H new ATOM 2803 N TYR B 64 -21.762 -1.694 -9.357 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.074 -1.922 -10.621 1.00 1.63 C ATOM 2805 C TYR B 64 -20.022 -0.850 -10.848 1.00 1.37 C ATOM 2806 O TYR B 64 -19.761 -0.441 -11.983 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.077 -1.939 -11.777 1.00 1.90 C ATOM 2808 CG TYR B 64 -23.021 -3.120 -11.726 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -22.667 -4.342 -12.286 1.00 3.10 C ATOM 2810 CD2 TYR B 64 -24.259 -3.017 -11.104 1.00 2.81 C ATOM 2811 CE1 TYR B 64 -23.519 -5.428 -12.227 1.00 3.76 C ATOM 2812 CE2 TYR B 64 -25.115 -4.102 -11.037 1.00 3.50 C ATOM 2813 CZ TYR B 64 -24.741 -5.305 -11.605 1.00 3.84 C ATOM 2814 OH TYR B 64 -25.583 -6.395 -11.533 1.00 4.62 O ATOM 0 H TYR B 64 -22.514 -1.007 -9.410 1.00 1.57 H new ATOM 0 HA TYR B 64 -20.578 -2.892 -10.579 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -22.657 -1.017 -11.760 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -21.533 -1.956 -12.722 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -21.710 -4.444 -12.775 1.00 3.10 H new ATOM 0 HD2 TYR B 64 -24.558 -2.076 -10.666 1.00 2.81 H new ATOM 0 HE1 TYR B 64 -23.227 -6.370 -12.667 1.00 3.76 H new ATOM 0 HE2 TYR B 64 -26.071 -4.009 -10.543 1.00 3.50 H new ATOM 0 HH TYR B 64 -26.405 -6.143 -11.062 1.00 4.62 H new ATOM 2824 N GLY B 65 -19.445 -0.384 -9.751 1.00 1.20 N ATOM 2825 CA GLY B 65 -18.431 0.638 -9.816 1.00 1.11 C ATOM 2826 C GLY B 65 -17.064 0.071 -10.153 1.00 1.04 C ATOM 2827 O GLY B 65 -16.430 -0.586 -9.323 1.00 1.03 O ATOM 0 H GLY B 65 -19.667 -0.702 -8.808 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -18.711 1.377 -10.567 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.381 1.158 -8.860 1.00 1.11 H new ATOM 2831 N GLU B 66 -16.613 0.328 -11.376 1.00 1.04 N ATOM 2832 CA GLU B 66 -15.312 -0.142 -11.838 1.00 1.02 C ATOM 2833 C GLU B 66 -14.195 0.555 -11.068 1.00 0.98 C ATOM 2834 O GLU B 66 -13.081 0.037 -10.950 1.00 0.95 O ATOM 2835 CB GLU B 66 -15.169 0.109 -13.340 1.00 1.10 C ATOM 2836 CG GLU B 66 -15.934 -0.889 -14.192 1.00 1.36 C ATOM 2837 CD GLU B 66 -15.394 -2.295 -14.042 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -14.279 -2.563 -14.537 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -16.068 -3.134 -13.416 1.00 2.08 O ATOM 0 H GLU B 66 -17.134 0.864 -12.070 1.00 1.04 H new ATOM 0 HA GLU B 66 -15.237 -1.214 -11.656 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -15.520 1.115 -13.568 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -14.113 0.071 -13.609 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -16.987 -0.873 -13.911 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -15.879 -0.589 -15.239 1.00 1.36 H new ATOM 2846 N GLU B 67 -14.507 1.728 -10.535 1.00 1.00 N ATOM 2847 CA GLU B 67 -13.555 2.498 -9.758 1.00 1.01 C ATOM 2848 C GLU B 67 -13.279 1.792 -8.436 1.00 0.97 C ATOM 2849 O GLU B 67 -12.149 1.776 -7.952 1.00 0.95 O ATOM 2850 CB GLU B 67 -14.086 3.912 -9.503 1.00 1.10 C ATOM 2851 CG GLU B 67 -15.376 3.958 -8.691 1.00 1.53 C ATOM 2852 CD GLU B 67 -16.623 3.971 -9.549 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -16.749 3.106 -10.430 1.00 2.28 O ATOM 2854 OE2 GLU B 67 -17.480 4.849 -9.349 1.00 2.44 O ATOM 0 H GLU B 67 -15.422 2.168 -10.630 1.00 1.00 H new ATOM 0 HA GLU B 67 -12.625 2.578 -10.321 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -13.321 4.487 -8.981 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -14.255 4.403 -10.461 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -15.410 3.095 -8.026 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -15.368 4.847 -8.060 1.00 1.53 H new ATOM 2861 N ARG B 68 -14.323 1.186 -7.876 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.218 0.459 -6.618 1.00 0.99 C ATOM 2863 C ARG B 68 -13.256 -0.709 -6.778 1.00 0.95 C ATOM 2864 O ARG B 68 -12.414 -0.965 -5.916 1.00 0.95 O ATOM 2865 CB ARG B 68 -15.603 -0.033 -6.182 1.00 1.04 C ATOM 2866 CG ARG B 68 -15.581 -1.163 -5.164 1.00 1.10 C ATOM 2867 CD ARG B 68 -16.985 -1.661 -4.872 1.00 1.41 C ATOM 2868 NE ARG B 68 -16.973 -2.930 -4.158 1.00 1.59 N ATOM 2869 CZ ARG B 68 -18.069 -3.549 -3.731 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -19.267 -3.023 -3.962 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -17.971 -4.693 -3.074 1.00 2.17 N ATOM 0 H ARG B 68 -15.259 1.186 -8.280 1.00 0.98 H new ATOM 0 HA ARG B 68 -13.831 1.124 -5.846 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.157 0.807 -5.762 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -16.150 -0.366 -7.064 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -14.971 -1.984 -5.540 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -15.115 -0.817 -4.241 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -17.519 -0.917 -4.281 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -17.531 -1.776 -5.808 1.00 1.41 H new ATOM 0 HE ARG B 68 -16.071 -3.370 -3.975 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -19.348 -2.141 -4.469 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -20.106 -3.501 -3.633 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -17.054 -5.101 -2.895 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -18.813 -5.167 -2.747 1.00 2.17 H new ATOM 2885 N LYS B 69 -13.378 -1.396 -7.904 1.00 0.94 N ATOM 2886 CA LYS B 69 -12.519 -2.530 -8.201 1.00 0.94 C ATOM 2887 C LYS B 69 -11.086 -2.059 -8.416 1.00 0.89 C ATOM 2888 O LYS B 69 -10.133 -2.746 -8.050 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.029 -3.260 -9.447 1.00 1.00 C ATOM 2890 CG LYS B 69 -12.216 -4.489 -9.824 1.00 1.28 C ATOM 2891 CD LYS B 69 -12.685 -5.076 -11.146 1.00 1.46 C ATOM 2892 CE LYS B 69 -12.206 -4.252 -12.330 1.00 1.55 C ATOM 2893 NZ LYS B 69 -12.896 -4.638 -13.586 1.00 1.70 N ATOM 0 H LYS B 69 -14.065 -1.187 -8.628 1.00 0.94 H new ATOM 0 HA LYS B 69 -12.537 -3.219 -7.357 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -14.064 -3.559 -9.281 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -13.029 -2.566 -10.287 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -11.162 -4.222 -9.895 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -12.302 -5.240 -9.039 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -12.317 -6.098 -11.241 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -13.774 -5.127 -11.155 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -12.379 -3.194 -12.131 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -11.131 -4.382 -12.452 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -12.204 -5.030 -14.256 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -13.620 -5.355 -13.378 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -13.348 -3.800 -14.005 1.00 1.70 H new ATOM 2907 N LEU B 70 -10.948 -0.868 -8.988 1.00 0.89 N ATOM 2908 CA LEU B 70 -9.640 -0.285 -9.268 1.00 0.87 C ATOM 2909 C LEU B 70 -8.852 -0.063 -7.982 1.00 0.83 C ATOM 2910 O LEU B 70 -7.661 -0.359 -7.917 1.00 0.82 O ATOM 2911 CB LEU B 70 -9.809 1.039 -10.019 1.00 0.91 C ATOM 2912 CG LEU B 70 -8.511 1.723 -10.454 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -7.880 0.987 -11.629 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -8.771 3.181 -10.813 1.00 1.04 C ATOM 0 H LEU B 70 -11.734 -0.282 -9.269 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.080 -0.983 -9.891 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.418 0.858 -10.905 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -10.366 1.728 -9.384 1.00 0.91 H new ATOM 0 HG LEU B 70 -7.812 1.692 -9.618 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -6.959 1.491 -11.921 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -7.656 -0.039 -11.338 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -8.573 0.982 -12.470 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -7.837 3.652 -11.120 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -9.489 3.232 -11.631 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -9.173 3.703 -9.945 1.00 1.04 H new ATOM 2926 N TYR B 71 -9.522 0.455 -6.958 1.00 0.84 N ATOM 2927 CA TYR B 71 -8.875 0.717 -5.675 1.00 0.84 C ATOM 2928 C TYR B 71 -8.438 -0.588 -5.019 1.00 0.83 C ATOM 2929 O TYR B 71 -7.362 -0.671 -4.423 1.00 0.82 O ATOM 2930 CB TYR B 71 -9.815 1.490 -4.743 1.00 0.91 C ATOM 2931 CG TYR B 71 -10.475 2.696 -5.388 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -9.864 3.369 -6.441 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -11.716 3.152 -4.956 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -10.467 4.456 -7.041 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -12.325 4.243 -5.552 1.00 1.09 C ATOM 2936 CZ TYR B 71 -11.697 4.887 -6.596 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.303 5.969 -7.193 1.00 1.19 O ATOM 0 H TYR B 71 -10.511 0.702 -6.990 1.00 0.84 H new ATOM 0 HA TYR B 71 -7.991 1.327 -5.859 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -10.591 0.813 -4.384 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -9.252 1.821 -3.870 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -8.900 3.035 -6.796 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -12.213 2.646 -4.141 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -9.976 4.967 -7.856 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -13.287 4.587 -5.201 1.00 1.09 H new ATOM 0 HH TYR B 71 -13.165 6.141 -6.760 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.276 -1.610 -5.150 1.00 0.86 N ATOM 2948 CA ASP B 72 -8.976 -2.930 -4.595 1.00 0.88 C ATOM 2949 C ASP B 72 -7.744 -3.516 -5.280 1.00 0.85 C ATOM 2950 O ASP B 72 -6.881 -4.113 -4.634 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.177 -3.867 -4.773 1.00 0.95 C ATOM 2952 CG ASP B 72 -9.835 -5.327 -4.526 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -9.443 -6.023 -5.488 1.00 1.32 O ATOM 2954 OD2 ASP B 72 -9.987 -5.797 -3.375 1.00 1.31 O ATOM 0 H ASP B 72 -10.171 -1.552 -5.636 1.00 0.86 H new ATOM 0 HA ASP B 72 -8.772 -2.826 -3.529 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -10.970 -3.565 -4.089 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -10.569 -3.758 -5.784 1.00 0.95 H new ATOM 2959 N SER B 73 -7.649 -3.295 -6.590 1.00 0.84 N ATOM 2960 CA SER B 73 -6.529 -3.794 -7.380 1.00 0.83 C ATOM 2961 C SER B 73 -5.237 -3.090 -6.983 1.00 0.79 C ATOM 2962 O SER B 73 -4.152 -3.676 -7.035 1.00 0.78 O ATOM 2963 CB SER B 73 -6.805 -3.598 -8.873 1.00 0.86 C ATOM 2964 OG SER B 73 -8.084 -4.103 -9.229 1.00 0.91 O ATOM 0 H SER B 73 -8.339 -2.770 -7.127 1.00 0.84 H new ATOM 0 HA SER B 73 -6.414 -4.860 -7.182 1.00 0.83 H new ATOM 0 HB2 SER B 73 -6.748 -2.538 -9.120 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.036 -4.103 -9.457 1.00 0.86 H new ATOM 0 HG SER B 73 -8.780 -3.506 -8.882 1.00 0.91 H new ATOM 2970 N ALA B 74 -5.356 -1.830 -6.574 1.00 0.79 N ATOM 2971 CA ALA B 74 -4.200 -1.055 -6.155 1.00 0.78 C ATOM 2972 C ALA B 74 -3.627 -1.626 -4.865 1.00 0.74 C ATOM 2973 O ALA B 74 -2.417 -1.614 -4.651 1.00 0.72 O ATOM 2974 CB ALA B 74 -4.572 0.410 -5.969 1.00 0.81 C ATOM 0 H ALA B 74 -6.242 -1.327 -6.525 1.00 0.79 H new ATOM 0 HA ALA B 74 -3.441 -1.117 -6.935 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -3.692 0.972 -5.655 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -4.943 0.814 -6.911 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -5.347 0.495 -5.207 1.00 0.81 H new ATOM 2980 N LEU B 75 -4.508 -2.149 -4.022 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.104 -2.736 -2.753 1.00 0.76 C ATOM 2982 C LEU B 75 -3.301 -4.012 -2.990 1.00 0.73 C ATOM 2983 O LEU B 75 -2.376 -4.320 -2.241 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.326 -3.036 -1.876 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.311 -2.392 -0.486 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.092 -2.837 0.307 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.361 -0.875 -0.601 1.00 1.14 C ATOM 0 H LEU B 75 -5.513 -2.178 -4.197 1.00 0.76 H new ATOM 0 HA LEU B 75 -3.475 -2.015 -2.231 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.220 -2.703 -2.402 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -5.410 -4.116 -1.757 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.198 -2.724 0.053 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.105 -2.366 1.290 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.110 -3.921 0.424 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.186 -2.544 -0.224 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.350 -0.434 0.396 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -4.496 -0.524 -1.163 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.274 -0.579 -1.118 1.00 1.14 H new ATOM 2999 N SER B 76 -3.650 -4.747 -4.044 1.00 0.75 N ATOM 3000 CA SER B 76 -2.944 -5.976 -4.379 1.00 0.75 C ATOM 3001 C SER B 76 -1.493 -5.664 -4.745 1.00 0.72 C ATOM 3002 O SER B 76 -0.580 -6.433 -4.441 1.00 0.72 O ATOM 3003 CB SER B 76 -3.643 -6.684 -5.536 1.00 0.81 C ATOM 3004 OG SER B 76 -5.020 -6.351 -5.576 1.00 0.91 O ATOM 0 H SER B 76 -4.415 -4.512 -4.677 1.00 0.75 H new ATOM 0 HA SER B 76 -2.951 -6.636 -3.512 1.00 0.75 H new ATOM 0 HB2 SER B 76 -3.170 -6.405 -6.477 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.529 -7.763 -5.430 1.00 0.81 H new ATOM 0 HG SER B 76 -5.447 -6.815 -6.326 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.288 -4.518 -5.394 1.00 0.72 N ATOM 3011 CA LYS B 77 0.048 -4.088 -5.779 1.00 0.71 C ATOM 3012 C LYS B 77 0.846 -3.734 -4.535 1.00 0.67 C ATOM 3013 O LYS B 77 2.051 -3.971 -4.470 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.016 -2.892 -6.730 1.00 0.75 C ATOM 3015 CG LYS B 77 -0.753 -3.187 -8.026 1.00 0.93 C ATOM 3016 CD LYS B 77 -0.758 -1.981 -8.953 1.00 1.09 C ATOM 3017 CE LYS B 77 0.618 -1.729 -9.545 1.00 1.34 C ATOM 3018 NZ LYS B 77 0.558 -0.918 -10.790 1.00 1.68 N ATOM 0 H LYS B 77 -2.032 -3.874 -5.662 1.00 0.72 H new ATOM 0 HA LYS B 77 0.542 -4.906 -6.303 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -0.507 -2.061 -6.223 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.998 -2.569 -6.964 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -0.282 -4.032 -8.529 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -1.779 -3.480 -7.803 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -1.477 -2.141 -9.756 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -1.086 -1.099 -8.403 1.00 1.09 H new ATOM 0 HE2 LYS B 77 1.239 -1.217 -8.810 1.00 1.34 H new ATOM 0 HE3 LYS B 77 1.099 -2.683 -9.759 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 1.520 -0.773 -11.156 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -0.012 -1.417 -11.502 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 0.123 0.004 -10.583 1.00 1.68 H new ATOM 3032 N ILE B 78 0.154 -3.184 -3.541 1.00 0.66 N ATOM 3033 CA ILE B 78 0.779 -2.820 -2.279 1.00 0.64 C ATOM 3034 C ILE B 78 1.302 -4.076 -1.595 1.00 0.63 C ATOM 3035 O ILE B 78 2.404 -4.093 -1.053 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.215 -2.105 -1.337 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -0.797 -0.851 -2.004 1.00 0.90 C ATOM 3038 CG2 ILE B 78 0.454 -1.742 -0.018 1.00 0.79 C ATOM 3039 CD1 ILE B 78 0.202 0.277 -2.173 1.00 1.15 C ATOM 0 H ILE B 78 -0.844 -2.981 -3.589 1.00 0.66 H new ATOM 0 HA ILE B 78 1.598 -2.133 -2.494 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.034 -2.794 -1.130 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.192 -1.123 -2.983 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.637 -0.492 -1.410 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.265 -1.240 0.629 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.810 -2.649 0.471 1.00 0.79 H new ATOM 0 HG23 ILE B 78 1.297 -1.077 -0.208 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -0.286 1.126 -2.651 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.579 0.578 -1.196 1.00 1.15 H new ATOM 0 HD13 ILE B 78 1.032 -0.062 -2.794 1.00 1.15 H new ATOM 3051 N GLU B 79 0.500 -5.134 -1.659 1.00 0.65 N ATOM 3052 CA GLU B 79 0.855 -6.416 -1.063 1.00 0.67 C ATOM 3053 C GLU B 79 2.142 -6.951 -1.685 1.00 0.67 C ATOM 3054 O GLU B 79 2.998 -7.507 -0.995 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.285 -7.419 -1.257 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.194 -8.640 -0.357 1.00 0.77 C ATOM 3057 CD GLU B 79 -1.269 -9.663 -0.664 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -1.255 -10.226 -1.776 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -2.128 -9.917 0.207 1.00 1.74 O ATOM 0 H GLU B 79 -0.409 -5.127 -2.122 1.00 0.65 H new ATOM 0 HA GLU B 79 1.019 -6.273 0.005 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.234 -6.915 -1.073 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -0.294 -7.747 -2.297 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.787 -9.101 -0.473 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.279 -8.328 0.684 1.00 0.77 H new ATOM 3066 N LYS B 80 2.282 -6.754 -2.991 1.00 0.67 N ATOM 3067 CA LYS B 80 3.468 -7.203 -3.706 1.00 0.69 C ATOM 3068 C LYS B 80 4.698 -6.456 -3.203 1.00 0.68 C ATOM 3069 O LYS B 80 5.784 -7.027 -3.099 1.00 0.72 O ATOM 3070 CB LYS B 80 3.305 -6.995 -5.212 1.00 0.72 C ATOM 3071 CG LYS B 80 2.299 -7.942 -5.848 1.00 0.79 C ATOM 3072 CD LYS B 80 2.534 -8.092 -7.343 1.00 1.18 C ATOM 3073 CE LYS B 80 3.742 -8.971 -7.638 1.00 1.78 C ATOM 3074 NZ LYS B 80 3.513 -10.391 -7.255 1.00 2.05 N ATOM 0 H LYS B 80 1.589 -6.286 -3.575 1.00 0.67 H new ATOM 0 HA LYS B 80 3.599 -8.269 -3.519 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.993 -5.967 -5.397 1.00 0.72 H new ATOM 0 HB3 LYS B 80 4.273 -7.126 -5.696 1.00 0.72 H new ATOM 0 HG2 LYS B 80 2.366 -8.919 -5.369 1.00 0.79 H new ATOM 0 HG3 LYS B 80 1.289 -7.570 -5.674 1.00 0.79 H new ATOM 0 HD2 LYS B 80 1.648 -8.523 -7.809 1.00 1.18 H new ATOM 0 HD3 LYS B 80 2.682 -7.108 -7.789 1.00 1.18 H new ATOM 0 HE2 LYS B 80 3.977 -8.917 -8.701 1.00 1.78 H new ATOM 0 HE3 LYS B 80 4.608 -8.587 -7.100 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 4.239 -10.991 -7.695 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 3.567 -10.485 -6.221 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 2.572 -10.691 -7.581 1.00 2.05 H new ATOM 3088 N LEU B 81 4.510 -5.181 -2.878 1.00 0.65 N ATOM 3089 CA LEU B 81 5.593 -4.348 -2.368 1.00 0.67 C ATOM 3090 C LEU B 81 6.068 -4.888 -1.024 1.00 0.68 C ATOM 3091 O LEU B 81 7.262 -4.897 -0.731 1.00 0.72 O ATOM 3092 CB LEU B 81 5.127 -2.894 -2.228 1.00 0.67 C ATOM 3093 CG LEU B 81 5.958 -1.852 -2.986 1.00 0.78 C ATOM 3094 CD1 LEU B 81 7.353 -1.736 -2.389 1.00 1.02 C ATOM 3095 CD2 LEU B 81 6.025 -2.189 -4.472 1.00 0.97 C ATOM 0 H LEU B 81 3.614 -4.701 -2.959 1.00 0.65 H new ATOM 0 HA LEU B 81 6.424 -4.374 -3.073 1.00 0.67 H new ATOM 0 HB2 LEU B 81 4.095 -2.828 -2.572 1.00 0.67 H new ATOM 0 HB3 LEU B 81 5.128 -2.632 -1.170 1.00 0.67 H new ATOM 0 HG LEU B 81 5.467 -0.884 -2.883 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.925 -0.991 -2.942 1.00 1.02 H new ATOM 0 HD12 LEU B 81 7.278 -1.433 -1.345 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.857 -2.700 -2.452 1.00 1.02 H new ATOM 0 HD21 LEU B 81 6.620 -1.436 -4.989 1.00 0.97 H new ATOM 0 HD22 LEU B 81 6.486 -3.168 -4.603 1.00 0.97 H new ATOM 0 HD23 LEU B 81 5.017 -2.204 -4.887 1.00 0.97 H new ATOM 3107 N ILE B 82 5.119 -5.364 -0.225 1.00 0.68 N ATOM 3108 CA ILE B 82 5.426 -5.926 1.083 1.00 0.72 C ATOM 3109 C ILE B 82 6.262 -7.196 0.925 1.00 0.77 C ATOM 3110 O ILE B 82 7.216 -7.430 1.671 1.00 0.81 O ATOM 3111 CB ILE B 82 4.142 -6.253 1.880 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.151 -5.081 1.798 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.489 -6.568 3.333 1.00 0.78 C ATOM 3114 CD1 ILE B 82 1.884 -5.282 2.606 1.00 0.72 C ATOM 0 H ILE B 82 4.127 -5.371 -0.463 1.00 0.68 H new ATOM 0 HA ILE B 82 5.990 -5.177 1.638 1.00 0.72 H new ATOM 0 HB ILE B 82 3.669 -7.132 1.442 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.648 -4.174 2.142 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.881 -4.920 0.754 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.577 -6.797 3.884 1.00 0.78 H new ATOM 0 HG22 ILE B 82 5.159 -7.427 3.369 1.00 0.78 H new ATOM 0 HG23 ILE B 82 4.979 -5.706 3.785 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.239 -4.410 2.494 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.361 -6.169 2.248 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.140 -5.412 3.658 1.00 0.72 H new ATOM 3126 N GLU B 83 5.907 -7.998 -0.078 1.00 0.78 N ATOM 3127 CA GLU B 83 6.615 -9.238 -0.363 1.00 0.85 C ATOM 3128 C GLU B 83 8.016 -8.937 -0.883 1.00 0.87 C ATOM 3129 O GLU B 83 8.943 -9.728 -0.709 1.00 0.94 O ATOM 3130 CB GLU B 83 5.837 -10.067 -1.389 1.00 0.88 C ATOM 3131 CG GLU B 83 6.334 -11.498 -1.521 1.00 1.11 C ATOM 3132 CD GLU B 83 6.722 -11.853 -2.943 1.00 1.73 C ATOM 3133 OE1 GLU B 83 5.866 -11.750 -3.843 1.00 2.25 O ATOM 3134 OE2 GLU B 83 7.890 -12.244 -3.167 1.00 2.41 O ATOM 0 H GLU B 83 5.128 -7.806 -0.708 1.00 0.78 H new ATOM 0 HA GLU B 83 6.700 -9.812 0.559 1.00 0.85 H new ATOM 0 HB2 GLU B 83 4.784 -10.082 -1.108 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.900 -9.578 -2.361 1.00 0.88 H new ATOM 0 HG2 GLU B 83 7.194 -11.641 -0.867 1.00 1.11 H new ATOM 0 HG3 GLU B 83 5.557 -12.181 -1.179 1.00 1.11 H new ATOM 3141 N THR B 84 8.163 -7.778 -1.510 1.00 0.83 N ATOM 3142 CA THR B 84 9.448 -7.357 -2.047 1.00 0.87 C ATOM 3143 C THR B 84 10.400 -6.981 -0.910 1.00 0.91 C ATOM 3144 O THR B 84 11.609 -7.211 -0.986 1.00 0.98 O ATOM 3145 CB THR B 84 9.274 -6.151 -2.994 1.00 0.84 C ATOM 3146 OG1 THR B 84 8.259 -6.434 -3.972 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.575 -5.806 -3.702 1.00 0.87 C ATOM 0 H THR B 84 7.405 -7.111 -1.659 1.00 0.83 H new ATOM 0 HA THR B 84 9.870 -8.190 -2.610 1.00 0.87 H new ATOM 0 HB THR B 84 8.976 -5.295 -2.388 1.00 0.84 H new ATOM 0 HG1 THR B 84 7.400 -6.571 -3.521 1.00 0.84 H new ATOM 0 HG21 THR B 84 10.415 -4.952 -4.361 1.00 0.87 H new ATOM 0 HG22 THR B 84 11.336 -5.557 -2.963 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.907 -6.661 -4.291 1.00 0.87 H new ATOM 3155 N LEU B 85 9.835 -6.409 0.147 1.00 0.90 N ATOM 3156 CA LEU B 85 10.604 -5.999 1.315 1.00 0.98 C ATOM 3157 C LEU B 85 10.974 -7.205 2.174 1.00 1.07 C ATOM 3158 O LEU B 85 11.981 -7.194 2.884 1.00 1.22 O ATOM 3159 CB LEU B 85 9.790 -5.007 2.149 1.00 0.97 C ATOM 3160 CG LEU B 85 9.371 -3.727 1.422 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.248 -3.026 2.176 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.565 -2.796 1.251 1.00 1.01 C ATOM 0 H LEU B 85 8.836 -6.217 0.218 1.00 0.90 H new ATOM 0 HA LEU B 85 11.522 -5.523 0.971 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.893 -5.511 2.508 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.374 -4.731 3.027 1.00 0.97 H new ATOM 0 HG LEU B 85 9.002 -3.998 0.433 1.00 0.91 H new ATOM 0 HD11 LEU B 85 7.964 -2.118 1.644 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.387 -3.690 2.246 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.589 -2.767 3.178 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.249 -1.891 0.732 1.00 1.01 H new ATOM 0 HD22 LEU B 85 10.964 -2.532 2.230 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.337 -3.298 0.668 1.00 1.01 H new ATOM 3174 N SER B 86 10.155 -8.244 2.096 1.00 1.08 N ATOM 3175 CA SER B 86 10.379 -9.455 2.868 1.00 1.20 C ATOM 3176 C SER B 86 10.451 -10.671 1.944 1.00 1.59 C ATOM 3177 O SER B 86 9.465 -11.387 1.770 1.00 2.11 O ATOM 3178 CB SER B 86 9.257 -9.627 3.898 1.00 1.48 C ATOM 3179 OG SER B 86 8.565 -8.400 4.105 1.00 1.78 O ATOM 0 H SER B 86 9.326 -8.271 1.503 1.00 1.08 H new ATOM 0 HA SER B 86 11.330 -9.371 3.393 1.00 1.20 H new ATOM 0 HB2 SER B 86 8.558 -10.390 3.556 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.675 -9.977 4.842 1.00 1.48 H new ATOM 0 HG SER B 86 8.021 -8.194 3.316 1.00 1.78 H new