USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 961 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: B 206 ASN : amide:sc= 0 X(o=1.1,f=0.78) USER MOD Set 1.2: B 207 SER OG : rot -4:sc= 1.09 USER MOD Set 2.1: A 3 LYS NZ :NH3+ 147:sc= 1.17 (180deg=-0.0955) USER MOD Set 2.2: A 9 GLN : amide:sc= 0.845 K(o=-3.1,f=-20!) USER MOD Set 2.3: A 85 ASN : amide:sc= -5.09! C(o=-3.1!,f=-6.1!) USER MOD Set 3.1: A 84 GLN : amide:sc= -3.7! C(o=-2.8!,f=-12!) USER MOD Set 3.2: A 87 CYS SG : rot 51:sc= 0.894 USER MOD Set 4.1: A 69 LYS NZ :NH3+ 154:sc= 0.855 (180deg=-0.982!) USER MOD Set 4.2: A 76 THR OG1 : rot -140:sc= -0.986 USER MOD Set 5.1: A 7 MET CE :methyl 123:sc= -0.0956 (180deg=-0.514) USER MOD Set 5.2: A 39 ASN : amide:sc= -0.0937 K(o=-0.17,f=-4.3!) USER MOD Set 5.3: A 40 SER OG : rot 180:sc= 0.0198 USER MOD Set 6.1: A 10 THR OG1 : rot 85:sc= 0.183 USER MOD Set 6.2: A 19 SER OG : rot -50:sc= 0.601 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.541 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.0129 (180deg=-0.331) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -145:sc= 0 (180deg=-0.846) USER MOD Single : A 15 THR OG1 : rot -135:sc= -0.549 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : +bothHN:sc= 1.64 K(o=1.6,f=-9.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.3 K(o=-1.3,f=-2!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 85:sc= 0.0258 USER MOD Single : A 36 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.8!) USER MOD Single : A 37 GLN :FLIP amide:sc= -0.319 F(o=-1.8,f=-0.32) USER MOD Single : A 45 GLN : amide:sc= -0.535 K(o=-0.53,f=-2.9) USER MOD Single : A 49 GLN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 55 THR OG1 : rot 130:sc= -0.025 USER MOD Single : A 62 GLN : amide:sc= -6.94! C(o=-6.9!,f=-8.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= 1.11 (180deg=0.899) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.23) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.139 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 145:sc= 0 (180deg=-0.845) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= 1.18 (180deg=1.12) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.5) USER MOD Single : B 186 TYR OH : rot 180:sc= 0 USER MOD Single : B 187 HIS : no HE2:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : B 192 TYR OH : rot 180:sc= 1.28 USER MOD Single : B 196 ASN : amide:sc= 0.627 K(o=0.63,f=-6.2!) USER MOD Single : B 199 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 204 MET CE :methyl 162:sc= -0.066 (180deg=-0.489) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.633 USER MOD Single : B 208 HIS : no HE2:sc= 0.441 K(o=0.44,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.845 -12.995 -11.160 1.00 1.79 N ATOM 2 CA MET A 1 -3.264 -12.506 -9.828 1.00 1.50 C ATOM 3 C MET A 1 -4.778 -12.370 -9.758 1.00 1.45 C ATOM 4 O MET A 1 -5.386 -11.637 -10.543 1.00 2.06 O ATOM 5 CB MET A 1 -2.599 -11.164 -9.502 1.00 1.78 C ATOM 6 CG MET A 1 -2.618 -10.164 -10.649 1.00 2.07 C ATOM 7 SD MET A 1 -2.906 -8.472 -10.092 1.00 2.89 S ATOM 8 CE MET A 1 -4.636 -8.564 -9.627 1.00 2.97 C ATOM 0 H1 MET A 1 -1.847 -12.752 -11.321 1.00 1.79 H new ATOM 0 H2 MET A 1 -2.961 -14.028 -11.203 1.00 1.79 H new ATOM 0 H3 MET A 1 -3.432 -12.550 -11.894 1.00 1.79 H new ATOM 0 HA MET A 1 -2.943 -13.238 -9.087 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.101 -10.722 -8.641 1.00 1.78 H new ATOM 0 HB3 MET A 1 -1.565 -11.345 -9.210 1.00 1.78 H new ATOM 0 HG2 MET A 1 -1.668 -10.210 -11.182 1.00 2.07 H new ATOM 0 HG3 MET A 1 -3.396 -10.446 -11.359 1.00 2.07 H new ATOM 0 HE1 MET A 1 -5.083 -7.572 -9.689 1.00 2.97 H new ATOM 0 HE2 MET A 1 -5.159 -9.240 -10.303 1.00 2.97 H new ATOM 0 HE3 MET A 1 -4.719 -8.936 -8.606 1.00 2.97 H new ATOM 20 N ALA A 2 -5.382 -13.094 -8.826 1.00 1.41 N ATOM 21 CA ALA A 2 -6.822 -13.060 -8.638 1.00 1.47 C ATOM 22 C ALA A 2 -7.169 -12.405 -7.307 1.00 1.31 C ATOM 23 O ALA A 2 -6.940 -12.977 -6.242 1.00 1.40 O ATOM 24 CB ALA A 2 -7.388 -14.467 -8.712 1.00 1.83 C ATOM 0 H ALA A 2 -4.890 -13.716 -8.184 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.269 -12.465 -9.434 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -8.468 -14.433 -8.570 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -7.164 -14.899 -9.688 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -6.939 -15.081 -7.932 1.00 1.83 H new ATOM 30 N LYS A 3 -7.713 -11.201 -7.370 1.00 1.21 N ATOM 31 CA LYS A 3 -8.074 -10.468 -6.168 1.00 1.10 C ATOM 32 C LYS A 3 -9.413 -9.769 -6.365 1.00 1.05 C ATOM 33 O LYS A 3 -9.657 -8.692 -5.819 1.00 1.21 O ATOM 34 CB LYS A 3 -6.981 -9.450 -5.824 1.00 1.11 C ATOM 35 CG LYS A 3 -6.915 -9.099 -4.345 1.00 1.22 C ATOM 36 CD LYS A 3 -5.796 -8.111 -4.057 1.00 1.18 C ATOM 37 CE LYS A 3 -5.875 -7.573 -2.635 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.603 -8.625 -1.626 1.00 1.47 N ATOM 0 H LYS A 3 -7.914 -10.710 -8.241 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.167 -11.169 -5.339 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.016 -9.847 -6.137 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.152 -8.539 -6.397 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.867 -8.674 -4.028 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -6.760 -10.006 -3.761 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -4.832 -8.597 -4.210 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.850 -7.283 -4.763 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.158 -6.761 -2.514 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -6.865 -7.152 -2.461 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -5.126 -8.203 -0.804 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -6.500 -9.055 -1.323 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -4.992 -9.356 -2.043 1.00 1.47 H new ATOM 52 N THR A 4 -10.275 -10.391 -7.152 1.00 1.06 N ATOM 53 CA THR A 4 -11.592 -9.841 -7.432 1.00 1.06 C ATOM 54 C THR A 4 -12.697 -10.700 -6.817 1.00 1.13 C ATOM 55 O THR A 4 -13.588 -10.192 -6.134 1.00 1.27 O ATOM 56 CB THR A 4 -11.827 -9.731 -8.953 1.00 1.12 C ATOM 57 OG1 THR A 4 -10.589 -9.924 -9.660 1.00 1.22 O ATOM 58 CG2 THR A 4 -12.417 -8.376 -9.314 1.00 1.23 C ATOM 0 H THR A 4 -10.085 -11.282 -7.611 1.00 1.06 H new ATOM 0 HA THR A 4 -11.627 -8.848 -6.985 1.00 1.06 H new ATOM 0 HB THR A 4 -12.535 -10.507 -9.244 1.00 1.12 H new ATOM 0 HG1 THR A 4 -10.749 -9.854 -10.624 1.00 1.22 H new ATOM 0 HG21 THR A 4 -12.574 -8.323 -10.391 1.00 1.23 H new ATOM 0 HG22 THR A 4 -13.370 -8.246 -8.802 1.00 1.23 H new ATOM 0 HG23 THR A 4 -11.730 -7.587 -9.008 1.00 1.23 H new ATOM 66 N GLU A 5 -12.613 -12.005 -7.034 1.00 1.20 N ATOM 67 CA GLU A 5 -13.617 -12.939 -6.530 1.00 1.33 C ATOM 68 C GLU A 5 -13.189 -13.552 -5.197 1.00 1.31 C ATOM 69 O GLU A 5 -13.450 -14.726 -4.931 1.00 1.58 O ATOM 70 CB GLU A 5 -13.852 -14.060 -7.552 1.00 1.56 C ATOM 71 CG GLU A 5 -13.802 -13.603 -9.003 1.00 1.73 C ATOM 72 CD GLU A 5 -14.888 -12.607 -9.351 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.081 -12.973 -9.285 1.00 2.37 O ATOM 74 OE2 GLU A 5 -14.555 -11.457 -9.698 1.00 2.15 O ATOM 0 H GLU A 5 -11.857 -12.445 -7.558 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.540 -12.381 -6.373 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -13.102 -14.836 -7.401 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.824 -14.514 -7.359 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -12.829 -13.155 -9.203 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -13.892 -14.472 -9.655 1.00 1.73 H new ATOM 81 N GLU A 6 -12.541 -12.762 -4.357 1.00 1.20 N ATOM 82 CA GLU A 6 -12.078 -13.254 -3.069 1.00 1.19 C ATOM 83 C GLU A 6 -13.010 -12.805 -1.938 1.00 1.14 C ATOM 84 O GLU A 6 -13.904 -13.550 -1.534 1.00 1.26 O ATOM 85 CB GLU A 6 -10.638 -12.787 -2.825 1.00 1.16 C ATOM 86 CG GLU A 6 -10.018 -13.321 -1.547 1.00 1.41 C ATOM 87 CD GLU A 6 -8.542 -13.613 -1.704 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.202 -14.642 -2.323 1.00 1.64 O ATOM 89 OE2 GLU A 6 -7.714 -12.820 -1.214 1.00 1.83 O ATOM 0 H GLU A 6 -12.324 -11.783 -4.542 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.093 -14.344 -3.082 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.021 -13.093 -3.670 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.621 -11.698 -2.796 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.159 -12.595 -0.746 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.536 -14.232 -1.247 1.00 1.41 H new ATOM 96 N MET A 7 -12.803 -11.583 -1.450 1.00 1.05 N ATOM 97 CA MET A 7 -13.609 -11.009 -0.363 1.00 1.09 C ATOM 98 C MET A 7 -13.590 -11.878 0.899 1.00 1.12 C ATOM 99 O MET A 7 -14.592 -11.986 1.604 1.00 1.32 O ATOM 100 CB MET A 7 -15.053 -10.768 -0.823 1.00 1.22 C ATOM 101 CG MET A 7 -15.217 -9.519 -1.675 1.00 1.44 C ATOM 102 SD MET A 7 -16.934 -8.983 -1.808 1.00 1.75 S ATOM 103 CE MET A 7 -17.244 -8.402 -0.139 1.00 2.16 C ATOM 0 H MET A 7 -12.073 -10.959 -1.794 1.00 1.05 H new ATOM 0 HA MET A 7 -13.155 -10.052 -0.105 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.394 -11.633 -1.391 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.697 -10.688 0.053 1.00 1.22 H new ATOM 0 HG2 MET A 7 -14.622 -8.712 -1.247 1.00 1.44 H new ATOM 0 HG3 MET A 7 -14.823 -9.711 -2.673 1.00 1.44 H new ATOM 0 HE1 MET A 7 -17.567 -7.361 -0.170 1.00 2.16 H new ATOM 0 HE2 MET A 7 -18.024 -9.011 0.319 1.00 2.16 H new ATOM 0 HE3 MET A 7 -16.330 -8.481 0.449 1.00 2.16 H new ATOM 113 N VAL A 8 -12.446 -12.492 1.180 1.00 1.13 N ATOM 114 CA VAL A 8 -12.298 -13.331 2.368 1.00 1.22 C ATOM 115 C VAL A 8 -10.947 -13.078 3.028 1.00 1.14 C ATOM 116 O VAL A 8 -10.199 -14.007 3.333 1.00 1.34 O ATOM 117 CB VAL A 8 -12.451 -14.840 2.062 1.00 1.45 C ATOM 118 CG1 VAL A 8 -13.918 -15.235 2.016 1.00 1.70 C ATOM 119 CG2 VAL A 8 -11.756 -15.210 0.761 1.00 1.49 C ATOM 0 H VAL A 8 -11.607 -12.426 0.603 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.104 -13.054 3.047 1.00 1.22 H new ATOM 0 HB VAL A 8 -11.971 -15.394 2.869 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.001 -16.300 1.799 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.382 -15.023 2.979 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.424 -14.666 1.236 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -11.881 -16.276 0.572 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.195 -14.643 -0.060 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -10.694 -14.977 0.837 1.00 1.49 H new ATOM 129 N GLN A 9 -10.637 -11.807 3.226 1.00 0.97 N ATOM 130 CA GLN A 9 -9.379 -11.410 3.846 1.00 0.93 C ATOM 131 C GLN A 9 -9.602 -11.008 5.309 1.00 0.91 C ATOM 132 O GLN A 9 -10.379 -11.645 6.021 1.00 0.98 O ATOM 133 CB GLN A 9 -8.757 -10.252 3.065 1.00 0.89 C ATOM 134 CG GLN A 9 -8.986 -10.334 1.563 1.00 1.00 C ATOM 135 CD GLN A 9 -7.717 -10.153 0.757 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.742 -9.578 -0.331 1.00 1.49 O ATOM 137 NE2 GLN A 9 -6.604 -10.652 1.271 1.00 1.43 N ATOM 0 H GLN A 9 -11.241 -11.028 2.966 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.695 -12.259 3.826 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.168 -9.313 3.436 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -7.685 -10.229 3.259 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.428 -11.301 1.321 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.707 -9.571 1.269 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -6.626 -11.122 2.176 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -5.724 -10.567 0.762 1.00 1.43 H new ATOM 146 N THR A 10 -8.921 -9.959 5.756 1.00 0.91 N ATOM 147 CA THR A 10 -9.058 -9.485 7.128 1.00 0.91 C ATOM 148 C THR A 10 -10.390 -8.758 7.317 1.00 0.88 C ATOM 149 O THR A 10 -10.727 -7.857 6.548 1.00 0.82 O ATOM 150 CB THR A 10 -7.901 -8.537 7.495 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.660 -9.080 7.025 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.822 -8.319 8.996 1.00 0.96 C ATOM 0 H THR A 10 -8.268 -9.420 5.187 1.00 0.91 H new ATOM 0 HA THR A 10 -9.029 -10.354 7.785 1.00 0.91 H new ATOM 0 HB THR A 10 -8.089 -7.575 7.018 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.527 -8.828 6.087 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.996 -7.646 9.223 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.755 -7.880 9.350 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.659 -9.275 9.494 1.00 0.96 H new ATOM 160 N GLU A 11 -11.150 -9.152 8.331 1.00 0.99 N ATOM 161 CA GLU A 11 -12.438 -8.530 8.592 1.00 1.04 C ATOM 162 C GLU A 11 -12.367 -7.607 9.800 1.00 1.02 C ATOM 163 O GLU A 11 -11.701 -7.906 10.790 1.00 1.03 O ATOM 164 CB GLU A 11 -13.525 -9.588 8.803 1.00 1.19 C ATOM 165 CG GLU A 11 -14.935 -9.025 8.711 1.00 1.29 C ATOM 166 CD GLU A 11 -16.005 -10.091 8.812 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.230 -10.807 7.819 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.632 -10.211 9.885 1.00 1.89 O ATOM 0 H GLU A 11 -10.897 -9.895 8.982 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.697 -7.934 7.717 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.406 -10.375 8.059 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.388 -10.050 9.781 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.081 -8.295 9.507 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.047 -8.494 7.766 1.00 1.29 H new ATOM 175 N GLU A 12 -13.060 -6.485 9.698 1.00 1.07 N ATOM 176 CA GLU A 12 -13.105 -5.500 10.762 1.00 1.10 C ATOM 177 C GLU A 12 -14.534 -5.425 11.304 1.00 1.22 C ATOM 178 O GLU A 12 -15.158 -6.457 11.552 1.00 1.54 O ATOM 179 CB GLU A 12 -12.646 -4.145 10.210 1.00 1.07 C ATOM 180 CG GLU A 12 -12.248 -3.133 11.274 1.00 1.18 C ATOM 181 CD GLU A 12 -12.942 -1.802 11.080 1.00 1.74 C ATOM 182 OE1 GLU A 12 -14.138 -1.803 10.705 1.00 2.22 O ATOM 183 OE2 GLU A 12 -12.303 -0.756 11.302 1.00 2.23 O ATOM 0 H GLU A 12 -13.607 -6.233 8.875 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.439 -5.780 11.578 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.798 -4.306 9.545 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.449 -3.722 9.606 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -12.492 -3.529 12.260 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.168 -2.986 11.248 1.00 1.18 H new ATOM 190 N MET A 13 -15.051 -4.219 11.482 1.00 1.20 N ATOM 191 CA MET A 13 -16.409 -4.027 11.958 1.00 1.31 C ATOM 192 C MET A 13 -17.291 -3.690 10.773 1.00 1.28 C ATOM 193 O MET A 13 -18.402 -4.195 10.639 1.00 1.46 O ATOM 194 CB MET A 13 -16.468 -2.907 13.003 1.00 1.40 C ATOM 195 CG MET A 13 -16.379 -3.405 14.434 1.00 1.63 C ATOM 196 SD MET A 13 -15.257 -2.418 15.440 1.00 1.83 S ATOM 197 CE MET A 13 -13.669 -2.953 14.803 1.00 2.25 C ATOM 0 H MET A 13 -14.544 -3.353 11.302 1.00 1.20 H new ATOM 0 HA MET A 13 -16.760 -4.942 12.435 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.653 -2.207 12.819 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.398 -2.353 12.877 1.00 1.40 H new ATOM 0 HG2 MET A 13 -17.372 -3.390 14.883 1.00 1.63 H new ATOM 0 HG3 MET A 13 -16.044 -4.442 14.434 1.00 1.63 H new ATOM 0 HE1 MET A 13 -12.940 -2.973 15.613 1.00 2.25 H new ATOM 0 HE2 MET A 13 -13.766 -3.952 14.377 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.334 -2.260 14.031 1.00 2.25 H new ATOM 207 N GLU A 14 -16.773 -2.838 9.901 1.00 1.19 N ATOM 208 CA GLU A 14 -17.492 -2.442 8.702 1.00 1.18 C ATOM 209 C GLU A 14 -16.861 -3.113 7.488 1.00 1.09 C ATOM 210 O GLU A 14 -17.562 -3.555 6.580 1.00 1.18 O ATOM 211 CB GLU A 14 -17.483 -0.917 8.543 1.00 1.19 C ATOM 212 CG GLU A 14 -18.231 -0.417 7.312 1.00 1.29 C ATOM 213 CD GLU A 14 -19.664 -0.914 7.240 1.00 1.54 C ATOM 214 OE1 GLU A 14 -20.307 -1.047 8.301 1.00 2.13 O ATOM 215 OE2 GLU A 14 -20.152 -1.171 6.118 1.00 2.02 O ATOM 0 H GLU A 14 -15.854 -2.407 10.003 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.531 -2.762 8.787 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.925 -0.467 9.432 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.450 -0.573 8.492 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.231 0.673 7.313 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -17.697 -0.735 6.416 1.00 1.29 H new ATOM 222 N THR A 15 -15.534 -3.191 7.490 1.00 0.98 N ATOM 223 CA THR A 15 -14.790 -3.821 6.408 1.00 0.90 C ATOM 224 C THR A 15 -15.028 -5.334 6.397 1.00 0.94 C ATOM 225 O THR A 15 -14.565 -6.049 7.291 1.00 0.98 O ATOM 226 CB THR A 15 -13.287 -3.536 6.557 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.094 -2.203 7.046 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.567 -3.698 5.232 1.00 0.91 C ATOM 0 H THR A 15 -14.948 -2.821 8.238 1.00 0.98 H new ATOM 0 HA THR A 15 -15.143 -3.402 5.465 1.00 0.90 H new ATOM 0 HB THR A 15 -12.873 -4.254 7.265 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.388 -1.763 6.527 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.506 -3.490 5.367 1.00 0.91 H new ATOM 0 HG22 THR A 15 -12.694 -4.719 4.871 1.00 0.91 H new ATOM 0 HG23 THR A 15 -12.983 -3.002 4.504 1.00 0.91 H new ATOM 236 N PRO A 16 -15.743 -5.838 5.378 1.00 0.97 N ATOM 237 CA PRO A 16 -16.068 -7.252 5.260 1.00 1.04 C ATOM 238 C PRO A 16 -14.976 -8.068 4.572 1.00 0.96 C ATOM 239 O PRO A 16 -15.071 -8.372 3.380 1.00 0.96 O ATOM 240 CB PRO A 16 -17.336 -7.228 4.412 1.00 1.12 C ATOM 241 CG PRO A 16 -17.163 -6.049 3.513 1.00 1.07 C ATOM 242 CD PRO A 16 -16.286 -5.063 4.246 1.00 0.98 C ATOM 0 HA PRO A 16 -16.181 -7.728 6.234 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.449 -8.149 3.841 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.226 -7.127 5.032 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.705 -6.347 2.570 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.128 -5.603 3.272 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.491 -4.683 3.605 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -16.857 -4.201 4.590 1.00 0.98 H new ATOM 250 N ARG A 17 -13.933 -8.403 5.330 1.00 0.95 N ATOM 251 CA ARG A 17 -12.822 -9.205 4.821 1.00 0.92 C ATOM 252 C ARG A 17 -12.196 -8.556 3.587 1.00 0.82 C ATOM 253 O ARG A 17 -12.042 -9.192 2.542 1.00 0.83 O ATOM 254 CB ARG A 17 -13.306 -10.621 4.494 1.00 1.01 C ATOM 255 CG ARG A 17 -13.943 -11.326 5.675 1.00 1.13 C ATOM 256 CD ARG A 17 -14.827 -12.481 5.233 1.00 1.19 C ATOM 257 NE ARG A 17 -15.722 -12.903 6.305 1.00 1.38 N ATOM 258 CZ ARG A 17 -16.335 -14.081 6.345 1.00 1.67 C ATOM 259 NH1 ARG A 17 -16.194 -14.935 5.344 1.00 1.84 N ATOM 260 NH2 ARG A 17 -17.108 -14.395 7.378 1.00 1.94 N ATOM 0 H ARG A 17 -13.834 -8.128 6.307 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.056 -9.261 5.594 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.027 -10.571 3.678 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -12.462 -11.213 4.139 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -13.163 -11.699 6.340 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -14.536 -10.613 6.247 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.413 -12.182 4.364 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -14.205 -13.321 4.924 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.888 -12.252 7.073 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -15.615 -14.689 4.541 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -16.665 -15.839 5.375 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -17.232 -13.731 8.143 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -17.578 -15.300 7.407 1.00 1.94 H new ATOM 274 N LEU A 18 -11.817 -7.294 3.726 1.00 0.75 N ATOM 275 CA LEU A 18 -11.223 -6.547 2.631 1.00 0.67 C ATOM 276 C LEU A 18 -9.828 -6.050 3.005 1.00 0.63 C ATOM 277 O LEU A 18 -9.673 -5.213 3.896 1.00 0.66 O ATOM 278 CB LEU A 18 -12.119 -5.362 2.262 1.00 0.65 C ATOM 279 CG LEU A 18 -12.775 -5.428 0.882 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.704 -6.628 0.783 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.536 -4.141 0.596 1.00 0.66 C ATOM 0 H LEU A 18 -11.912 -6.765 4.593 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.131 -7.211 1.771 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -12.904 -5.277 3.013 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.525 -4.450 2.318 1.00 0.65 H new ATOM 0 HG LEU A 18 -11.990 -5.543 0.134 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.159 -6.655 -0.207 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.135 -7.543 0.945 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.485 -6.547 1.539 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -13.998 -4.203 -0.390 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.310 -4.000 1.351 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.846 -3.297 0.622 1.00 0.66 H new ATOM 293 N SER A 19 -8.821 -6.573 2.321 1.00 0.63 N ATOM 294 CA SER A 19 -7.439 -6.190 2.567 1.00 0.64 C ATOM 295 C SER A 19 -6.751 -5.843 1.253 1.00 0.61 C ATOM 296 O SER A 19 -6.960 -6.509 0.237 1.00 0.70 O ATOM 297 CB SER A 19 -6.699 -7.324 3.276 1.00 0.77 C ATOM 298 OG SER A 19 -7.406 -7.742 4.434 1.00 1.44 O ATOM 0 H SER A 19 -8.937 -7.270 1.585 1.00 0.63 H new ATOM 0 HA SER A 19 -7.423 -5.310 3.210 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.577 -8.166 2.595 1.00 0.77 H new ATOM 0 HB3 SER A 19 -5.699 -6.993 3.555 1.00 0.77 H new ATOM 0 HG SER A 19 -7.633 -6.960 4.979 1.00 1.44 H new ATOM 304 N VAL A 20 -5.945 -4.795 1.272 1.00 0.55 N ATOM 305 CA VAL A 20 -5.245 -4.339 0.082 1.00 0.56 C ATOM 306 C VAL A 20 -3.775 -4.758 0.103 1.00 0.67 C ATOM 307 O VAL A 20 -3.191 -4.974 1.169 1.00 0.73 O ATOM 308 CB VAL A 20 -5.343 -2.803 -0.044 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.512 -2.124 1.032 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.917 -2.332 -1.423 1.00 0.53 C ATOM 0 H VAL A 20 -5.758 -4.239 2.106 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.723 -4.806 -0.779 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.388 -2.524 0.095 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.594 -1.042 0.926 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.877 -2.421 2.015 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.468 -2.421 0.927 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -4.998 -1.246 -1.478 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.884 -2.629 -1.606 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.563 -2.782 -2.177 1.00 0.53 H new ATOM 320 N ILE A 21 -3.190 -4.882 -1.079 1.00 0.73 N ATOM 321 CA ILE A 21 -1.791 -5.246 -1.205 1.00 0.86 C ATOM 322 C ILE A 21 -0.948 -3.998 -1.435 1.00 0.87 C ATOM 323 O ILE A 21 -0.937 -3.439 -2.534 1.00 0.88 O ATOM 324 CB ILE A 21 -1.566 -6.248 -2.363 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.189 -7.604 -2.021 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.081 -6.406 -2.671 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.062 -8.631 -3.126 1.00 1.10 C ATOM 0 H ILE A 21 -3.668 -4.734 -1.968 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.488 -5.729 -0.276 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.054 -5.852 -3.254 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -1.716 -7.994 -1.120 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.245 -7.461 -1.791 1.00 0.98 H new ATOM 0 HG21 ILE A 21 0.048 -7.116 -3.488 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.335 -5.441 -2.959 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.437 -6.775 -1.786 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -2.526 -9.565 -2.810 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -2.560 -8.264 -4.023 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.008 -8.805 -3.342 1.00 1.10 H new ATOM 339 N VAL A 22 -0.278 -3.545 -0.385 1.00 0.89 N ATOM 340 CA VAL A 22 0.577 -2.371 -0.474 1.00 0.93 C ATOM 341 C VAL A 22 1.966 -2.796 -0.923 1.00 1.07 C ATOM 342 O VAL A 22 2.621 -3.589 -0.248 1.00 1.15 O ATOM 343 CB VAL A 22 0.680 -1.627 0.876 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.332 -0.266 0.688 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.690 -1.486 1.523 1.00 0.80 C ATOM 0 H VAL A 22 -0.310 -3.974 0.540 1.00 0.89 H new ATOM 0 HA VAL A 22 0.133 -1.687 -1.197 1.00 0.93 H new ATOM 0 HB VAL A 22 1.308 -2.217 1.544 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.396 0.243 1.650 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.334 -0.396 0.279 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.734 0.332 0.000 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.592 -0.959 2.472 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.348 -0.923 0.862 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.113 -2.475 1.699 1.00 0.80 H new ATOM 355 N THR A 23 2.406 -2.290 -2.061 1.00 1.12 N ATOM 356 CA THR A 23 3.707 -2.663 -2.583 1.00 1.26 C ATOM 357 C THR A 23 4.642 -1.469 -2.763 1.00 1.32 C ATOM 358 O THR A 23 4.336 -0.519 -3.487 1.00 1.28 O ATOM 359 CB THR A 23 3.558 -3.393 -3.930 1.00 1.33 C ATOM 360 OG1 THR A 23 2.427 -4.271 -3.876 1.00 1.89 O ATOM 361 CG2 THR A 23 4.812 -4.194 -4.256 1.00 1.63 C ATOM 0 H THR A 23 1.887 -1.626 -2.636 1.00 1.12 H new ATOM 0 HA THR A 23 4.154 -3.325 -1.841 1.00 1.26 H new ATOM 0 HB THR A 23 3.412 -2.649 -4.713 1.00 1.33 H new ATOM 0 HG1 THR A 23 2.331 -4.734 -4.734 1.00 1.89 H new ATOM 0 HG21 THR A 23 4.682 -4.701 -5.212 1.00 1.63 H new ATOM 0 HG22 THR A 23 5.668 -3.522 -4.315 1.00 1.63 H new ATOM 0 HG23 THR A 23 4.985 -4.934 -3.474 1.00 1.63 H new ATOM 369 N HIS A 24 5.779 -1.526 -2.084 1.00 1.45 N ATOM 370 CA HIS A 24 6.795 -0.494 -2.203 1.00 1.54 C ATOM 371 C HIS A 24 7.917 -1.054 -3.057 1.00 1.61 C ATOM 372 O HIS A 24 8.899 -1.582 -2.531 1.00 1.63 O ATOM 373 CB HIS A 24 7.335 -0.056 -0.832 1.00 1.58 C ATOM 374 CG HIS A 24 8.446 0.959 -0.918 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.697 0.764 -0.368 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.490 2.179 -1.513 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.457 1.818 -0.616 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.748 2.687 -1.310 1.00 1.86 N ATOM 0 H HIS A 24 6.020 -2.281 -1.442 1.00 1.45 H new ATOM 0 HA HIS A 24 6.358 0.393 -2.662 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.517 0.362 -0.245 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.696 -0.933 -0.296 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.990 -0.065 0.150 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.684 2.660 -2.047 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.483 1.945 -0.304 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.082 3.592 -1.642 1.00 1.86 H new ATOM 387 N SER A 25 7.719 -0.987 -4.373 1.00 1.68 N ATOM 388 CA SER A 25 8.680 -1.495 -5.353 1.00 1.77 C ATOM 389 C SER A 25 8.698 -3.031 -5.348 1.00 1.80 C ATOM 390 O SER A 25 8.434 -3.667 -6.372 1.00 1.90 O ATOM 391 CB SER A 25 10.078 -0.919 -5.097 1.00 1.78 C ATOM 392 OG SER A 25 10.015 0.486 -4.900 1.00 1.90 O ATOM 0 H SER A 25 6.884 -0.577 -4.792 1.00 1.68 H new ATOM 0 HA SER A 25 8.365 -1.168 -6.344 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.517 -1.395 -4.220 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.729 -1.144 -5.942 1.00 1.78 H new ATOM 0 HG SER A 25 10.916 0.834 -4.737 1.00 1.90 H new ATOM 398 N ASN A 26 8.985 -3.621 -4.191 1.00 1.77 N ATOM 399 CA ASN A 26 9.019 -5.074 -4.055 1.00 1.82 C ATOM 400 C ASN A 26 8.457 -5.507 -2.697 1.00 1.75 C ATOM 401 O ASN A 26 7.983 -6.634 -2.548 1.00 1.87 O ATOM 402 CB ASN A 26 10.450 -5.593 -4.245 1.00 1.95 C ATOM 403 CG ASN A 26 10.508 -7.079 -4.557 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.511 -7.691 -4.933 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.688 -7.664 -4.425 1.00 2.32 N ATOM 0 H ASN A 26 9.198 -3.114 -3.332 1.00 1.77 H new ATOM 0 HA ASN A 26 8.389 -5.508 -4.831 1.00 1.82 H new ATOM 0 HB2 ASN A 26 10.927 -5.039 -5.054 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.025 -5.395 -3.341 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.792 -8.656 -4.638 1.00 2.32 H new ATOM 0 HD22 ASN A 26 12.493 -7.123 -4.110 1.00 2.32 H new ATOM 412 N GLU A 27 8.508 -4.612 -1.708 1.00 1.66 N ATOM 413 CA GLU A 27 7.978 -4.902 -0.374 1.00 1.60 C ATOM 414 C GLU A 27 6.463 -5.056 -0.429 1.00 1.47 C ATOM 415 O GLU A 27 5.789 -4.301 -1.128 1.00 1.48 O ATOM 416 CB GLU A 27 8.315 -3.778 0.603 1.00 1.63 C ATOM 417 CG GLU A 27 9.797 -3.563 0.833 1.00 1.89 C ATOM 418 CD GLU A 27 10.056 -2.342 1.688 1.00 1.91 C ATOM 419 OE1 GLU A 27 9.968 -2.455 2.930 1.00 2.24 O ATOM 420 OE2 GLU A 27 10.306 -1.259 1.124 1.00 2.14 O ATOM 0 H GLU A 27 8.911 -3.680 -1.806 1.00 1.66 H new ATOM 0 HA GLU A 27 8.436 -5.830 -0.032 1.00 1.60 H new ATOM 0 HB2 GLU A 27 7.880 -2.850 0.232 1.00 1.63 H new ATOM 0 HB3 GLU A 27 7.840 -3.992 1.560 1.00 1.63 H new ATOM 0 HG2 GLU A 27 10.222 -4.443 1.316 1.00 1.89 H new ATOM 0 HG3 GLU A 27 10.302 -3.450 -0.126 1.00 1.89 H new ATOM 427 N ARG A 28 5.932 -6.011 0.321 1.00 1.44 N ATOM 428 CA ARG A 28 4.497 -6.254 0.344 1.00 1.33 C ATOM 429 C ARG A 28 3.936 -6.079 1.755 1.00 1.28 C ATOM 430 O ARG A 28 4.499 -6.584 2.730 1.00 1.36 O ATOM 431 CB ARG A 28 4.200 -7.665 -0.172 1.00 1.41 C ATOM 432 CG ARG A 28 2.831 -7.819 -0.821 1.00 1.45 C ATOM 433 CD ARG A 28 1.725 -8.002 0.211 1.00 1.48 C ATOM 434 NE ARG A 28 1.809 -9.291 0.893 1.00 1.48 N ATOM 435 CZ ARG A 28 0.847 -9.785 1.671 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.256 -9.079 1.896 1.00 1.47 N ATOM 437 NH2 ARG A 28 0.994 -10.980 2.231 1.00 1.92 N ATOM 0 H ARG A 28 6.474 -6.631 0.922 1.00 1.44 H new ATOM 0 HA ARG A 28 4.013 -5.525 -0.306 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.966 -7.943 -0.896 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.277 -8.367 0.659 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.617 -6.940 -1.429 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.844 -8.676 -1.494 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.782 -7.200 0.947 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.756 -7.916 -0.280 1.00 1.48 H new ATOM 0 HE ARG A 28 2.655 -9.846 0.766 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.367 -8.158 1.473 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.992 -9.458 2.492 1.00 1.47 H new ATOM 0 HH21 ARG A 28 1.844 -11.520 2.066 1.00 1.92 H new ATOM 0 HH22 ARG A 28 0.257 -11.358 2.827 1.00 1.92 H new ATOM 451 N TYR A 29 2.839 -5.344 1.855 1.00 1.17 N ATOM 452 CA TYR A 29 2.179 -5.111 3.131 1.00 1.13 C ATOM 453 C TYR A 29 0.683 -5.374 3.000 1.00 1.01 C ATOM 454 O TYR A 29 0.117 -5.236 1.912 1.00 1.00 O ATOM 455 CB TYR A 29 2.414 -3.676 3.609 1.00 1.13 C ATOM 456 CG TYR A 29 3.078 -3.589 4.967 1.00 1.30 C ATOM 457 CD1 TYR A 29 2.339 -3.737 6.136 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.444 -3.363 5.079 1.00 1.60 C ATOM 459 CE1 TYR A 29 2.944 -3.662 7.376 1.00 1.82 C ATOM 460 CE2 TYR A 29 5.055 -3.287 6.316 1.00 1.88 C ATOM 461 CZ TYR A 29 4.302 -3.438 7.460 1.00 1.91 C ATOM 462 OH TYR A 29 4.907 -3.369 8.694 1.00 2.29 O ATOM 0 H TYR A 29 2.384 -4.895 1.060 1.00 1.17 H new ATOM 0 HA TYR A 29 2.602 -5.795 3.867 1.00 1.13 H new ATOM 0 HB2 TYR A 29 3.032 -3.155 2.878 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.458 -3.154 3.647 1.00 1.13 H new ATOM 0 HD1 TYR A 29 1.275 -3.913 6.074 1.00 1.52 H new ATOM 0 HD2 TYR A 29 5.038 -3.245 4.185 1.00 1.60 H new ATOM 0 HE1 TYR A 29 2.356 -3.778 8.275 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.118 -3.110 6.386 1.00 1.88 H new ATOM 0 HH TYR A 29 5.867 -3.207 8.579 1.00 2.29 H new ATOM 472 N ASP A 30 0.053 -5.771 4.097 1.00 0.98 N ATOM 473 CA ASP A 30 -1.381 -6.049 4.101 1.00 0.90 C ATOM 474 C ASP A 30 -2.110 -5.019 4.953 1.00 0.84 C ATOM 475 O ASP A 30 -1.929 -4.967 6.171 1.00 0.96 O ATOM 476 CB ASP A 30 -1.659 -7.458 4.634 1.00 0.97 C ATOM 477 CG ASP A 30 -3.118 -7.854 4.495 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.517 -8.282 3.394 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.867 -7.755 5.491 1.00 1.34 O ATOM 0 H ASP A 30 0.511 -5.909 4.998 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.745 -5.989 3.075 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.038 -8.175 4.097 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -1.370 -7.510 5.684 1.00 0.97 H new ATOM 484 N LEU A 31 -2.922 -4.195 4.314 1.00 0.71 N ATOM 485 CA LEU A 31 -3.658 -3.162 5.025 1.00 0.66 C ATOM 486 C LEU A 31 -5.155 -3.367 4.862 1.00 0.58 C ATOM 487 O LEU A 31 -5.622 -3.792 3.804 1.00 0.59 O ATOM 488 CB LEU A 31 -3.251 -1.775 4.519 1.00 0.66 C ATOM 489 CG LEU A 31 -3.079 -0.695 5.599 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.426 -0.125 6.016 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.345 -1.257 6.809 1.00 0.98 C ATOM 0 H LEU A 31 -3.089 -4.220 3.308 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.414 -3.231 6.085 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.313 -1.869 3.973 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.002 -1.434 3.806 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.482 0.112 5.175 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.277 0.637 6.781 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.916 0.320 5.150 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -5.051 -0.924 6.416 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.234 -0.477 7.562 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.915 -2.086 7.228 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.360 -1.611 6.505 1.00 0.98 H new ATOM 503 N LEU A 32 -5.898 -3.066 5.915 1.00 0.55 N ATOM 504 CA LEU A 32 -7.343 -3.212 5.904 1.00 0.52 C ATOM 505 C LEU A 32 -7.989 -2.013 5.220 1.00 0.43 C ATOM 506 O LEU A 32 -7.604 -0.869 5.469 1.00 0.43 O ATOM 507 CB LEU A 32 -7.864 -3.341 7.335 1.00 0.60 C ATOM 508 CG LEU A 32 -9.377 -3.485 7.462 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.747 -4.912 7.844 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.923 -2.492 8.477 1.00 0.85 C ATOM 0 H LEU A 32 -5.519 -2.716 6.795 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.601 -4.113 5.348 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.392 -4.206 7.800 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.549 -2.464 7.900 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.829 -3.265 6.495 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.830 -4.996 7.930 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.390 -5.598 7.076 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.286 -5.164 8.799 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.004 -2.609 8.555 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.467 -2.678 9.449 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.690 -1.477 8.155 1.00 0.85 H new ATOM 522 N VAL A 33 -8.963 -2.288 4.362 1.00 0.41 N ATOM 523 CA VAL A 33 -9.672 -1.242 3.632 1.00 0.36 C ATOM 524 C VAL A 33 -10.354 -0.272 4.593 1.00 0.41 C ATOM 525 O VAL A 33 -10.926 -0.689 5.604 1.00 0.51 O ATOM 526 CB VAL A 33 -10.710 -1.853 2.668 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.637 -0.792 2.097 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.002 -2.589 1.548 1.00 0.56 C ATOM 0 H VAL A 33 -9.283 -3.234 4.153 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.937 -0.689 3.047 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.322 -2.556 3.233 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.354 -1.260 1.423 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.171 -0.300 2.910 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.051 -0.054 1.549 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.740 -3.018 0.871 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.368 -1.893 0.999 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.388 -3.386 1.967 1.00 0.56 H new ATOM 538 N THR A 34 -10.279 1.014 4.267 1.00 0.39 N ATOM 539 CA THR A 34 -10.867 2.064 5.085 1.00 0.48 C ATOM 540 C THR A 34 -12.381 1.885 5.211 1.00 0.59 C ATOM 541 O THR A 34 -13.116 1.992 4.227 1.00 0.65 O ATOM 542 CB THR A 34 -10.565 3.450 4.490 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.308 3.421 3.798 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.522 4.514 5.579 1.00 0.64 C ATOM 0 H THR A 34 -9.809 1.356 3.429 1.00 0.39 H new ATOM 0 HA THR A 34 -10.421 1.993 6.077 1.00 0.48 H new ATOM 0 HB THR A 34 -11.363 3.701 3.791 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.445 3.093 2.885 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.307 5.484 5.131 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.486 4.554 6.087 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.743 4.266 6.299 1.00 0.64 H new ATOM 552 N PRO A 35 -12.860 1.611 6.431 1.00 0.73 N ATOM 553 CA PRO A 35 -14.280 1.403 6.698 1.00 0.89 C ATOM 554 C PRO A 35 -15.053 2.709 6.857 1.00 0.93 C ATOM 555 O PRO A 35 -14.626 3.761 6.377 1.00 0.93 O ATOM 556 CB PRO A 35 -14.256 0.636 8.020 1.00 1.07 C ATOM 557 CG PRO A 35 -13.049 1.146 8.726 1.00 1.07 C ATOM 558 CD PRO A 35 -12.044 1.483 7.657 1.00 0.82 C ATOM 0 HA PRO A 35 -14.782 0.886 5.880 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.161 0.817 8.600 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.194 -0.439 7.854 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.291 2.025 9.323 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -12.652 0.395 9.410 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.515 2.409 7.883 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.291 0.702 7.556 1.00 0.82 H new ATOM 566 N GLN A 36 -16.195 2.619 7.540 1.00 1.02 N ATOM 567 CA GLN A 36 -17.056 3.768 7.802 1.00 1.13 C ATOM 568 C GLN A 36 -17.610 4.353 6.508 1.00 1.16 C ATOM 569 O GLN A 36 -17.454 5.544 6.229 1.00 1.24 O ATOM 570 CB GLN A 36 -16.302 4.837 8.601 1.00 1.16 C ATOM 571 CG GLN A 36 -15.698 4.317 9.898 1.00 1.38 C ATOM 572 CD GLN A 36 -16.746 3.974 10.940 1.00 1.95 C ATOM 573 OE1 GLN A 36 -17.881 3.630 10.613 1.00 2.47 O ATOM 574 NE2 GLN A 36 -16.367 4.060 12.202 1.00 2.33 N ATOM 0 H GLN A 36 -16.548 1.744 7.927 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.901 3.422 8.398 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.507 5.249 7.980 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.984 5.656 8.830 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.100 3.431 9.685 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.021 5.068 10.304 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -15.416 4.349 12.430 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -17.025 3.837 12.949 1.00 2.33 H new ATOM 583 N GLN A 37 -18.259 3.504 5.722 1.00 1.15 N ATOM 584 CA GLN A 37 -18.849 3.925 4.464 1.00 1.23 C ATOM 585 C GLN A 37 -19.926 2.930 4.027 1.00 1.30 C ATOM 586 O GLN A 37 -21.078 3.040 4.447 1.00 1.64 O ATOM 587 CB GLN A 37 -17.771 4.087 3.386 1.00 1.16 C ATOM 588 CG GLN A 37 -18.217 4.924 2.196 1.00 1.33 C ATOM 589 CD GLN A 37 -18.640 6.333 2.580 1.00 1.52 C ATOM 590 OE1 GLN A 37 -18.068 6.863 3.651 1.00 1.79 O flip ATOM 591 NE2 GLN A 37 -19.487 6.940 1.923 1.00 1.82 N flip ATOM 0 H GLN A 37 -18.389 2.516 5.937 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.321 4.897 4.606 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.889 4.547 3.832 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.471 3.100 3.033 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.402 4.980 1.474 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -19.049 4.424 1.700 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.907 6.502 1.103 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -19.768 7.881 2.199 1.00 1.82 H new ATOM 600 N GLY A 38 -19.554 1.944 3.216 1.00 1.14 N ATOM 601 CA GLY A 38 -20.522 0.966 2.759 1.00 1.21 C ATOM 602 C GLY A 38 -19.886 -0.348 2.365 1.00 1.14 C ATOM 603 O GLY A 38 -19.757 -0.635 1.177 1.00 1.17 O ATOM 0 H GLY A 38 -18.605 1.806 2.869 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.253 0.789 3.548 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -21.066 1.371 1.906 1.00 1.21 H new ATOM 607 N ASN A 39 -19.520 -1.147 3.373 1.00 1.13 N ATOM 608 CA ASN A 39 -18.885 -2.467 3.202 1.00 1.11 C ATOM 609 C ASN A 39 -17.835 -2.503 2.085 1.00 0.97 C ATOM 610 O ASN A 39 -16.685 -2.131 2.307 1.00 0.89 O ATOM 611 CB ASN A 39 -19.923 -3.598 3.010 1.00 1.30 C ATOM 612 CG ASN A 39 -21.170 -3.189 2.248 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.194 -3.205 1.019 1.00 1.84 O ATOM 614 ND2 ASN A 39 -22.215 -2.834 2.976 1.00 1.70 N ATOM 0 H ASN A 39 -19.658 -0.893 4.351 1.00 1.13 H new ATOM 0 HA ASN A 39 -18.355 -2.646 4.138 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.446 -4.425 2.484 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -20.219 -3.972 3.990 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -23.085 -2.559 2.520 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -22.151 -2.835 3.994 1.00 1.70 H new ATOM 621 N SER A 40 -18.233 -2.952 0.899 1.00 1.02 N ATOM 622 CA SER A 40 -17.321 -3.064 -0.235 1.00 0.95 C ATOM 623 C SER A 40 -16.848 -1.700 -0.738 1.00 0.87 C ATOM 624 O SER A 40 -15.816 -1.601 -1.401 1.00 0.82 O ATOM 625 CB SER A 40 -18.009 -3.822 -1.368 1.00 1.07 C ATOM 626 OG SER A 40 -18.864 -4.829 -0.851 1.00 1.30 O ATOM 0 H SER A 40 -19.188 -3.246 0.697 1.00 1.02 H new ATOM 0 HA SER A 40 -16.439 -3.608 0.104 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.585 -3.128 -1.979 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.259 -4.273 -2.018 1.00 1.07 H new ATOM 0 HG SER A 40 -19.297 -5.302 -1.592 1.00 1.30 H new ATOM 632 N GLU A 41 -17.599 -0.656 -0.427 1.00 0.92 N ATOM 633 CA GLU A 41 -17.245 0.687 -0.858 1.00 0.88 C ATOM 634 C GLU A 41 -16.611 1.475 0.282 1.00 0.81 C ATOM 635 O GLU A 41 -17.262 1.751 1.294 1.00 0.90 O ATOM 636 CB GLU A 41 -18.476 1.425 -1.380 1.00 1.02 C ATOM 637 CG GLU A 41 -18.967 0.909 -2.719 1.00 1.34 C ATOM 638 CD GLU A 41 -20.277 1.542 -3.129 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.261 1.427 -2.368 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.333 2.155 -4.213 1.00 1.73 O ATOM 0 H GLU A 41 -18.457 -0.712 0.122 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.518 0.599 -1.665 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.280 1.338 -0.649 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.242 2.486 -1.472 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.214 1.109 -3.482 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.089 -0.173 -2.667 1.00 1.34 H new ATOM 647 N PRO A 42 -15.325 1.821 0.140 1.00 0.69 N ATOM 648 CA PRO A 42 -14.593 2.590 1.138 1.00 0.67 C ATOM 649 C PRO A 42 -14.752 4.097 0.936 1.00 0.69 C ATOM 650 O PRO A 42 -15.552 4.543 0.111 1.00 0.77 O ATOM 651 CB PRO A 42 -13.150 2.166 0.882 1.00 0.60 C ATOM 652 CG PRO A 42 -13.089 1.912 -0.587 1.00 0.62 C ATOM 653 CD PRO A 42 -14.469 1.468 -1.010 1.00 0.64 C ATOM 0 HA PRO A 42 -14.943 2.404 2.153 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.449 2.946 1.179 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.892 1.272 1.450 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.791 2.813 -1.123 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.349 1.145 -0.817 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.791 1.977 -1.919 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.499 0.398 -1.216 1.00 0.64 H new ATOM 661 N VAL A 43 -13.989 4.877 1.690 1.00 0.67 N ATOM 662 CA VAL A 43 -14.045 6.330 1.585 1.00 0.72 C ATOM 663 C VAL A 43 -13.149 6.825 0.451 1.00 0.65 C ATOM 664 O VAL A 43 -12.463 6.039 -0.196 1.00 0.58 O ATOM 665 CB VAL A 43 -13.622 7.011 2.903 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.599 6.675 4.020 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.208 6.607 3.288 1.00 0.67 C ATOM 0 H VAL A 43 -13.324 4.529 2.381 1.00 0.67 H new ATOM 0 HA VAL A 43 -15.080 6.596 1.373 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.638 8.090 2.748 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.282 7.165 4.940 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.596 7.023 3.748 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.620 5.596 4.173 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.930 7.099 4.220 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.162 5.526 3.420 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.517 6.906 2.500 1.00 0.67 H new ATOM 677 N VAL A 44 -13.144 8.134 0.227 1.00 0.72 N ATOM 678 CA VAL A 44 -12.333 8.723 -0.837 1.00 0.71 C ATOM 679 C VAL A 44 -10.858 8.764 -0.449 1.00 0.66 C ATOM 680 O VAL A 44 -9.979 8.694 -1.306 1.00 0.68 O ATOM 681 CB VAL A 44 -12.791 10.153 -1.204 1.00 0.85 C ATOM 682 CG1 VAL A 44 -12.997 10.276 -2.707 1.00 1.06 C ATOM 683 CG2 VAL A 44 -14.059 10.538 -0.454 1.00 0.98 C ATOM 0 H VAL A 44 -13.690 8.807 0.765 1.00 0.72 H new ATOM 0 HA VAL A 44 -12.468 8.081 -1.708 1.00 0.71 H new ATOM 0 HB VAL A 44 -12.005 10.845 -0.903 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.319 11.289 -2.948 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.060 10.061 -3.221 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -13.759 9.566 -3.029 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -14.355 11.549 -0.734 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -14.858 9.842 -0.709 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -13.873 10.499 0.619 1.00 0.98 H new ATOM 693 N GLN A 45 -10.593 8.854 0.849 1.00 0.66 N ATOM 694 CA GLN A 45 -9.221 8.910 1.346 1.00 0.65 C ATOM 695 C GLN A 45 -8.623 7.514 1.455 1.00 0.57 C ATOM 696 O GLN A 45 -7.479 7.357 1.873 1.00 0.62 O ATOM 697 CB GLN A 45 -9.159 9.585 2.721 1.00 0.74 C ATOM 698 CG GLN A 45 -10.123 10.749 2.889 1.00 1.07 C ATOM 699 CD GLN A 45 -11.310 10.391 3.754 1.00 1.44 C ATOM 700 OE1 GLN A 45 -12.347 9.941 3.257 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.168 10.584 5.054 1.00 1.94 N ATOM 0 H GLN A 45 -11.308 8.890 1.576 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.644 9.496 0.631 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.369 8.840 3.489 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.143 9.942 2.893 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.595 11.594 3.332 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.475 11.071 1.909 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.293 10.958 5.421 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -11.933 10.359 5.690 1.00 1.94 H new ATOM 710 N ASP A 46 -9.400 6.508 1.069 1.00 0.49 N ATOM 711 CA ASP A 46 -8.968 5.112 1.139 1.00 0.42 C ATOM 712 C ASP A 46 -7.670 4.882 0.376 1.00 0.41 C ATOM 713 O ASP A 46 -6.732 4.284 0.900 1.00 0.46 O ATOM 714 CB ASP A 46 -10.055 4.194 0.584 1.00 0.38 C ATOM 715 CG ASP A 46 -9.598 2.752 0.485 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.613 2.052 1.520 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.218 2.321 -0.629 1.00 0.31 O ATOM 0 H ASP A 46 -10.343 6.633 0.700 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.790 4.879 2.189 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.936 4.250 1.224 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.355 4.546 -0.403 1.00 0.38 H new ATOM 722 N LEU A 47 -7.614 5.391 -0.848 1.00 0.46 N ATOM 723 CA LEU A 47 -6.439 5.234 -1.703 1.00 0.54 C ATOM 724 C LEU A 47 -5.164 5.730 -1.017 1.00 0.56 C ATOM 725 O LEU A 47 -4.074 5.228 -1.283 1.00 0.65 O ATOM 726 CB LEU A 47 -6.656 5.970 -3.033 1.00 0.66 C ATOM 727 CG LEU A 47 -7.174 7.408 -2.916 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.020 8.392 -2.842 1.00 1.41 C ATOM 729 CD2 LEU A 47 -8.085 7.746 -4.085 1.00 1.00 C ATOM 0 H LEU A 47 -8.374 5.920 -1.276 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.308 4.170 -1.898 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.712 5.986 -3.577 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.361 5.396 -3.635 1.00 0.66 H new ATOM 0 HG LEU A 47 -7.751 7.486 -1.994 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -6.411 9.406 -2.759 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -5.406 8.168 -1.970 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -5.413 8.310 -3.744 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -8.442 8.771 -3.983 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.531 7.645 -5.019 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.936 7.064 -4.092 1.00 1.00 H new ATOM 741 N ALA A 48 -5.308 6.701 -0.125 1.00 0.58 N ATOM 742 CA ALA A 48 -4.168 7.254 0.584 1.00 0.69 C ATOM 743 C ALA A 48 -3.988 6.586 1.942 1.00 0.67 C ATOM 744 O ALA A 48 -2.867 6.322 2.365 1.00 0.76 O ATOM 745 CB ALA A 48 -4.334 8.755 0.751 1.00 0.83 C ATOM 0 H ALA A 48 -6.204 7.120 0.123 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.273 7.059 -0.007 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.473 9.159 1.284 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.406 9.224 -0.230 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.241 8.960 1.319 1.00 0.83 H new ATOM 751 N GLN A 49 -5.101 6.299 2.604 1.00 0.60 N ATOM 752 CA GLN A 49 -5.084 5.680 3.926 1.00 0.62 C ATOM 753 C GLN A 49 -4.434 4.301 3.897 1.00 0.59 C ATOM 754 O GLN A 49 -3.681 3.950 4.802 1.00 0.66 O ATOM 755 CB GLN A 49 -6.508 5.558 4.471 1.00 0.62 C ATOM 756 CG GLN A 49 -6.577 5.572 5.988 1.00 0.95 C ATOM 757 CD GLN A 49 -6.940 6.938 6.535 1.00 1.27 C ATOM 758 OE1 GLN A 49 -8.113 7.233 6.770 1.00 1.86 O ATOM 759 NE2 GLN A 49 -5.942 7.783 6.736 1.00 1.43 N ATOM 0 H GLN A 49 -6.037 6.487 2.244 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.492 6.322 4.578 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -7.110 6.378 4.080 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.952 4.633 4.103 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.314 4.842 6.323 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.614 5.264 6.396 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.984 7.500 6.529 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -6.130 8.718 7.098 1.00 1.43 H new ATOM 768 N LEU A 50 -4.724 3.532 2.856 1.00 0.52 N ATOM 769 CA LEU A 50 -4.181 2.183 2.722 1.00 0.53 C ATOM 770 C LEU A 50 -2.657 2.174 2.760 1.00 0.65 C ATOM 771 O LEU A 50 -2.052 1.422 3.521 1.00 0.72 O ATOM 772 CB LEU A 50 -4.651 1.546 1.417 1.00 0.46 C ATOM 773 CG LEU A 50 -6.164 1.416 1.258 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.503 0.709 -0.041 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.773 0.682 2.438 1.00 0.40 C ATOM 0 H LEU A 50 -5.333 3.818 2.090 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.549 1.607 3.571 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.265 2.135 0.585 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.208 0.553 1.337 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.589 2.419 1.228 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.585 0.625 -0.138 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.107 1.280 -0.880 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -6.061 -0.287 -0.039 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.851 0.603 2.300 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.342 -0.317 2.507 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.564 1.232 3.356 1.00 0.40 H new ATOM 787 N VAL A 51 -2.041 3.008 1.939 1.00 0.70 N ATOM 788 CA VAL A 51 -0.589 3.069 1.882 1.00 0.84 C ATOM 789 C VAL A 51 -0.024 3.824 3.092 1.00 0.90 C ATOM 790 O VAL A 51 1.058 3.506 3.584 1.00 1.01 O ATOM 791 CB VAL A 51 -0.102 3.696 0.550 1.00 0.90 C ATOM 792 CG1 VAL A 51 -0.647 5.102 0.367 1.00 1.56 C ATOM 793 CG2 VAL A 51 1.417 3.686 0.462 1.00 1.37 C ATOM 0 H VAL A 51 -2.520 3.649 1.306 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.211 2.047 1.919 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.490 3.082 -0.262 1.00 0.90 H new ATOM 0 HG11 VAL A 51 -0.286 5.512 -0.576 1.00 1.56 H new ATOM 0 HG12 VAL A 51 -1.737 5.071 0.356 1.00 1.56 H new ATOM 0 HG13 VAL A 51 -0.310 5.733 1.189 1.00 1.56 H new ATOM 0 HG21 VAL A 51 1.730 4.132 -0.482 1.00 1.37 H new ATOM 0 HG22 VAL A 51 1.833 4.260 1.290 1.00 1.37 H new ATOM 0 HG23 VAL A 51 1.778 2.659 0.516 1.00 1.37 H new ATOM 803 N GLU A 52 -0.788 4.786 3.599 1.00 0.86 N ATOM 804 CA GLU A 52 -0.369 5.571 4.753 1.00 0.93 C ATOM 805 C GLU A 52 -0.286 4.700 6.002 1.00 0.95 C ATOM 806 O GLU A 52 0.755 4.636 6.662 1.00 1.07 O ATOM 807 CB GLU A 52 -1.348 6.726 4.985 1.00 0.91 C ATOM 808 CG GLU A 52 -1.057 7.532 6.239 1.00 1.13 C ATOM 809 CD GLU A 52 -1.948 8.748 6.373 1.00 1.17 C ATOM 810 OE1 GLU A 52 -3.186 8.583 6.452 1.00 1.37 O ATOM 811 OE2 GLU A 52 -1.412 9.875 6.414 1.00 1.40 O ATOM 0 H GLU A 52 -1.703 5.041 3.227 1.00 0.86 H new ATOM 0 HA GLU A 52 0.623 5.976 4.550 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -1.322 7.391 4.122 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -2.360 6.326 5.048 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -1.186 6.894 7.114 1.00 1.13 H new ATOM 0 HG3 GLU A 52 -0.015 7.850 6.227 1.00 1.13 H new ATOM 818 N GLU A 53 -1.379 4.004 6.298 1.00 0.86 N ATOM 819 CA GLU A 53 -1.464 3.138 7.472 1.00 0.89 C ATOM 820 C GLU A 53 -0.598 1.889 7.324 1.00 0.93 C ATOM 821 O GLU A 53 -0.423 1.136 8.283 1.00 1.01 O ATOM 822 CB GLU A 53 -2.918 2.732 7.717 1.00 0.85 C ATOM 823 CG GLU A 53 -3.680 3.697 8.606 1.00 1.33 C ATOM 824 CD GLU A 53 -3.524 3.359 10.071 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.459 3.653 10.646 1.00 1.81 O ATOM 826 OE2 GLU A 53 -4.469 2.790 10.656 1.00 1.99 O ATOM 0 H GLU A 53 -2.229 4.023 5.734 1.00 0.86 H new ATOM 0 HA GLU A 53 -1.089 3.704 8.325 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.430 2.654 6.758 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.938 1.741 8.171 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.325 4.712 8.428 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -4.737 3.678 8.340 1.00 1.33 H new ATOM 833 N ALA A 54 -0.062 1.678 6.127 1.00 0.93 N ATOM 834 CA ALA A 54 0.779 0.521 5.853 1.00 1.00 C ATOM 835 C ALA A 54 2.030 0.534 6.722 1.00 1.15 C ATOM 836 O ALA A 54 2.373 -0.471 7.343 1.00 1.28 O ATOM 837 CB ALA A 54 1.163 0.477 4.379 1.00 1.06 C ATOM 0 H ALA A 54 -0.197 2.297 5.328 1.00 0.93 H new ATOM 0 HA ALA A 54 0.206 -0.374 6.094 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.791 -0.394 4.193 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.261 0.411 3.770 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.711 1.382 4.119 1.00 1.06 H new ATOM 843 N THR A 55 2.709 1.674 6.774 1.00 1.21 N ATOM 844 CA THR A 55 3.926 1.779 7.576 1.00 1.38 C ATOM 845 C THR A 55 4.061 3.146 8.247 1.00 1.40 C ATOM 846 O THR A 55 5.091 3.451 8.850 1.00 1.55 O ATOM 847 CB THR A 55 5.184 1.496 6.728 1.00 1.60 C ATOM 848 OG1 THR A 55 4.832 1.384 5.338 1.00 1.81 O ATOM 849 CG2 THR A 55 5.862 0.211 7.180 1.00 1.77 C ATOM 0 H THR A 55 2.445 2.527 6.280 1.00 1.21 H new ATOM 0 HA THR A 55 3.842 1.023 8.356 1.00 1.38 H new ATOM 0 HB THR A 55 5.875 2.328 6.863 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.422 1.956 4.804 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.746 0.032 6.568 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.157 0.303 8.225 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.170 -0.624 7.071 1.00 1.77 H new ATOM 857 N GLY A 56 3.011 3.954 8.166 1.00 1.30 N ATOM 858 CA GLY A 56 3.048 5.275 8.768 1.00 1.34 C ATOM 859 C GLY A 56 3.791 6.272 7.904 1.00 1.42 C ATOM 860 O GLY A 56 4.649 7.014 8.387 1.00 1.55 O ATOM 0 H GLY A 56 2.137 3.720 7.696 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.030 5.627 8.933 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.527 5.215 9.745 1.00 1.34 H new ATOM 864 N VAL A 57 3.461 6.292 6.623 1.00 1.37 N ATOM 865 CA VAL A 57 4.101 7.194 5.680 1.00 1.46 C ATOM 866 C VAL A 57 3.178 8.369 5.373 1.00 1.37 C ATOM 867 O VAL A 57 1.982 8.176 5.167 1.00 1.26 O ATOM 868 CB VAL A 57 4.449 6.471 4.358 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.456 7.273 3.546 1.00 1.70 C ATOM 870 CG2 VAL A 57 4.967 5.062 4.620 1.00 1.63 C ATOM 0 H VAL A 57 2.749 5.690 6.210 1.00 1.37 H new ATOM 0 HA VAL A 57 5.023 7.551 6.138 1.00 1.46 H new ATOM 0 HB VAL A 57 3.532 6.388 3.775 1.00 1.55 H new ATOM 0 HG11 VAL A 57 5.683 6.742 2.622 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.036 8.251 3.309 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.371 7.401 4.125 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.203 4.579 3.672 1.00 1.63 H new ATOM 0 HG22 VAL A 57 5.866 5.113 5.235 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.203 4.485 5.141 1.00 1.63 H new ATOM 880 N PRO A 58 3.699 9.605 5.410 1.00 1.45 N ATOM 881 CA PRO A 58 2.908 10.793 5.092 1.00 1.41 C ATOM 882 C PRO A 58 2.490 10.824 3.621 1.00 1.35 C ATOM 883 O PRO A 58 3.229 10.368 2.745 1.00 1.39 O ATOM 884 CB PRO A 58 3.831 11.971 5.423 1.00 1.56 C ATOM 885 CG PRO A 58 5.210 11.408 5.521 1.00 1.67 C ATOM 886 CD PRO A 58 5.080 9.934 5.805 1.00 1.63 C ATOM 0 HA PRO A 58 1.977 10.818 5.658 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.778 12.736 4.649 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.537 12.444 6.360 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.758 11.573 4.593 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.770 11.903 6.314 1.00 1.67 H new ATOM 0 HD2 PRO A 58 5.805 9.354 5.234 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.255 9.715 6.858 1.00 1.63 H new ATOM 894 N LEU A 59 1.302 11.369 3.365 1.00 1.29 N ATOM 895 CA LEU A 59 0.737 11.463 2.014 1.00 1.26 C ATOM 896 C LEU A 59 1.734 11.995 0.972 1.00 1.34 C ATOM 897 O LEU A 59 1.959 11.333 -0.037 1.00 1.35 O ATOM 898 CB LEU A 59 -0.529 12.328 2.023 1.00 1.25 C ATOM 899 CG LEU A 59 -1.800 11.627 1.533 1.00 1.25 C ATOM 900 CD1 LEU A 59 -3.027 12.477 1.821 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.705 11.326 0.044 1.00 1.54 C ATOM 0 H LEU A 59 0.700 11.760 4.089 1.00 1.29 H new ATOM 0 HA LEU A 59 0.487 10.445 1.715 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.699 12.685 3.039 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.355 13.206 1.401 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.898 10.685 2.072 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -3.919 11.961 1.465 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -3.109 12.645 2.895 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.934 13.435 1.310 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.617 10.828 -0.285 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.580 12.257 -0.508 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.850 10.677 -0.142 1.00 1.54 H new ATOM 913 N PRO A 60 2.358 13.178 1.181 1.00 1.42 N ATOM 914 CA PRO A 60 3.304 13.751 0.207 1.00 1.52 C ATOM 915 C PRO A 60 4.606 12.957 0.061 1.00 1.60 C ATOM 916 O PRO A 60 5.485 13.340 -0.707 1.00 1.79 O ATOM 917 CB PRO A 60 3.605 15.151 0.763 1.00 1.61 C ATOM 918 CG PRO A 60 2.561 15.407 1.795 1.00 1.56 C ATOM 919 CD PRO A 60 2.196 14.064 2.347 1.00 1.46 C ATOM 0 HA PRO A 60 2.869 13.746 -0.792 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.604 15.194 1.197 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.568 15.902 -0.026 1.00 1.61 H new ATOM 0 HG2 PRO A 60 2.939 16.063 2.579 1.00 1.56 H new ATOM 0 HG3 PRO A 60 1.692 15.900 1.359 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.849 13.774 3.170 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.175 14.047 2.729 1.00 1.46 H new ATOM 927 N PHE A 61 4.735 11.859 0.792 1.00 1.55 N ATOM 928 CA PHE A 61 5.943 11.041 0.724 1.00 1.63 C ATOM 929 C PHE A 61 5.700 9.755 -0.051 1.00 1.59 C ATOM 930 O PHE A 61 6.642 9.120 -0.535 1.00 1.70 O ATOM 931 CB PHE A 61 6.431 10.708 2.132 1.00 1.66 C ATOM 932 CG PHE A 61 7.684 11.436 2.528 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.642 12.767 2.911 1.00 1.95 C ATOM 934 CD2 PHE A 61 8.906 10.784 2.519 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.797 13.432 3.278 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.063 11.444 2.884 1.00 2.25 C ATOM 937 CZ PHE A 61 10.008 12.770 3.262 1.00 2.34 C ATOM 0 H PHE A 61 4.024 11.513 1.436 1.00 1.55 H new ATOM 0 HA PHE A 61 6.706 11.616 0.199 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.642 10.947 2.846 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.609 9.635 2.200 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.697 13.290 2.923 1.00 1.95 H new ATOM 0 HD2 PHE A 61 8.955 9.747 2.223 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.752 14.469 3.577 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.009 10.923 2.874 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.912 13.289 3.545 1.00 2.34 H new ATOM 947 N GLN A 62 4.439 9.373 -0.176 1.00 1.47 N ATOM 948 CA GLN A 62 4.090 8.154 -0.884 1.00 1.44 C ATOM 949 C GLN A 62 3.306 8.464 -2.154 1.00 1.40 C ATOM 950 O GLN A 62 2.167 8.927 -2.112 1.00 1.55 O ATOM 951 CB GLN A 62 3.305 7.212 0.036 1.00 1.38 C ATOM 952 CG GLN A 62 1.999 7.792 0.559 1.00 1.35 C ATOM 953 CD GLN A 62 1.657 7.297 1.949 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.094 6.228 2.369 1.00 2.14 O ATOM 955 NE2 GLN A 62 0.847 8.062 2.663 1.00 1.66 N ATOM 0 H GLN A 62 3.644 9.888 0.202 1.00 1.47 H new ATOM 0 HA GLN A 62 5.011 7.652 -1.182 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.089 6.291 -0.505 1.00 1.38 H new ATOM 0 HB3 GLN A 62 3.935 6.943 0.884 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.068 8.880 0.572 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.191 7.532 -0.124 1.00 1.35 H new ATOM 0 HE21 GLN A 62 0.506 8.943 2.278 1.00 1.66 H new ATOM 0 HE22 GLN A 62 0.564 7.771 3.599 1.00 1.66 H new ATOM 964 N LYS A 63 3.930 8.214 -3.292 1.00 1.42 N ATOM 965 CA LYS A 63 3.296 8.464 -4.574 1.00 1.38 C ATOM 966 C LYS A 63 2.395 7.298 -4.958 1.00 1.27 C ATOM 967 O LYS A 63 2.800 6.405 -5.704 1.00 1.31 O ATOM 968 CB LYS A 63 4.354 8.694 -5.647 1.00 1.51 C ATOM 969 CG LYS A 63 3.895 9.598 -6.775 1.00 1.64 C ATOM 970 CD LYS A 63 5.078 10.100 -7.583 1.00 1.73 C ATOM 971 CE LYS A 63 4.685 11.245 -8.498 1.00 1.94 C ATOM 972 NZ LYS A 63 5.874 11.969 -9.010 1.00 2.29 N ATOM 0 H LYS A 63 4.876 7.838 -3.354 1.00 1.42 H new ATOM 0 HA LYS A 63 2.682 9.361 -4.491 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.240 9.128 -5.183 1.00 1.51 H new ATOM 0 HB3 LYS A 63 4.651 7.731 -6.063 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.210 9.055 -7.426 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.343 10.445 -6.366 1.00 1.64 H new ATOM 0 HD2 LYS A 63 5.868 10.428 -6.907 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.486 9.283 -8.177 1.00 1.73 H new ATOM 0 HE2 LYS A 63 4.105 10.859 -9.336 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.041 11.939 -7.957 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 5.567 12.744 -9.632 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 6.414 12.359 -8.211 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 6.476 11.312 -9.547 1.00 2.29 H new ATOM 986 N LEU A 64 1.183 7.304 -4.416 1.00 1.16 N ATOM 987 CA LEU A 64 0.206 6.258 -4.683 1.00 1.06 C ATOM 988 C LEU A 64 -0.250 6.300 -6.139 1.00 1.05 C ATOM 989 O LEU A 64 -0.878 7.263 -6.579 1.00 1.06 O ATOM 990 CB LEU A 64 -1.002 6.414 -3.741 1.00 0.98 C ATOM 991 CG LEU A 64 -2.008 5.249 -3.709 1.00 0.91 C ATOM 992 CD1 LEU A 64 -3.058 5.396 -4.804 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.298 3.910 -3.831 1.00 1.06 C ATOM 0 H LEU A 64 0.852 8.031 -3.782 1.00 1.16 H new ATOM 0 HA LEU A 64 0.676 5.292 -4.502 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.627 6.568 -2.729 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.539 7.320 -4.023 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.516 5.281 -2.745 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.754 4.558 -4.756 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.603 6.329 -4.662 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.569 5.406 -5.778 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -2.033 3.105 -3.806 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.751 3.873 -4.773 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.601 3.791 -3.002 1.00 1.06 H new ATOM 1005 N ILE A 65 0.083 5.255 -6.882 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.305 5.154 -8.279 1.00 1.08 C ATOM 1007 C ILE A 65 -0.862 3.762 -8.560 1.00 1.05 C ATOM 1008 O ILE A 65 -0.140 2.860 -8.992 1.00 1.15 O ATOM 1009 CB ILE A 65 0.873 5.446 -9.242 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.520 6.795 -8.909 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.393 5.436 -10.689 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.681 7.161 -9.807 1.00 1.42 C ATOM 0 H ILE A 65 0.624 4.462 -6.538 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.070 5.910 -8.458 1.00 1.08 H new ATOM 0 HB ILE A 65 1.620 4.662 -9.116 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.762 7.576 -8.976 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.866 6.775 -7.876 1.00 1.27 H new ATOM 0 HG21 ILE A 65 1.233 5.643 -11.352 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.025 4.458 -10.927 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.372 6.200 -10.824 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.083 8.128 -9.506 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.459 6.403 -9.723 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.338 7.216 -10.840 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.143 3.587 -8.268 1.00 0.93 N ATOM 1025 CA PHE A 66 -2.826 2.319 -8.480 1.00 0.91 C ATOM 1026 C PHE A 66 -4.329 2.535 -8.394 1.00 0.84 C ATOM 1027 O PHE A 66 -4.776 3.641 -8.078 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.385 1.278 -7.448 1.00 0.89 C ATOM 1029 CG PHE A 66 -1.939 -0.027 -8.057 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.865 -0.955 -8.507 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -0.593 -0.324 -8.174 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.455 -2.153 -9.059 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.177 -1.520 -8.725 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.109 -2.436 -9.168 1.00 1.16 C ATOM 0 H PHE A 66 -2.737 4.319 -7.878 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.565 1.943 -9.469 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.568 1.690 -6.855 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.211 1.086 -6.763 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.920 -0.739 -8.425 1.00 1.24 H new ATOM 0 HD2 PHE A 66 0.142 0.389 -7.830 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.187 -2.867 -9.405 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.877 -1.738 -8.809 1.00 1.28 H new ATOM 0 HZ PHE A 66 -0.786 -3.372 -9.599 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.097 1.488 -8.703 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.564 1.538 -8.670 1.00 0.89 C ATOM 1046 C LYS A 67 -7.097 2.481 -9.745 1.00 0.84 C ATOM 1047 O LYS A 67 -8.296 2.765 -9.795 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.077 1.998 -7.293 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.760 1.060 -6.140 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.217 1.657 -4.812 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.390 0.591 -3.740 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.429 0.964 -2.741 1.00 0.54 N ATOM 0 H LYS A 67 -4.722 0.582 -8.983 1.00 0.87 H new ATOM 0 HA LYS A 67 -6.926 0.528 -8.862 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.651 2.977 -7.072 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.158 2.126 -7.350 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.252 0.101 -6.301 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -5.688 0.867 -6.107 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -6.489 2.395 -4.476 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.161 2.183 -4.956 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.662 -0.354 -4.210 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.439 0.432 -3.231 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.720 0.118 -2.211 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.040 1.669 -2.082 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.253 1.366 -3.231 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.208 2.952 -10.611 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.605 3.883 -11.645 1.00 0.93 C ATOM 1068 C GLY A 68 -6.836 5.264 -11.069 1.00 0.94 C ATOM 1069 O GLY A 68 -7.626 6.048 -11.595 1.00 1.05 O ATOM 0 H GLY A 68 -5.219 2.704 -10.614 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -5.834 3.930 -12.414 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.516 3.529 -12.128 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.156 5.543 -9.960 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.273 6.825 -9.275 1.00 0.93 C ATOM 1075 C LYS A 69 -4.895 7.317 -8.835 1.00 0.96 C ATOM 1076 O LYS A 69 -3.878 6.688 -9.136 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.190 6.701 -8.047 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.085 5.470 -8.064 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.900 5.341 -6.789 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.077 6.300 -6.773 1.00 1.24 C ATOM 1081 NZ LYS A 69 -11.040 6.013 -7.868 1.00 1.50 N ATOM 0 H LYS A 69 -5.512 4.890 -9.514 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.708 7.544 -9.970 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.574 6.678 -7.148 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.815 7.591 -7.982 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.757 5.523 -8.920 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.472 4.578 -8.194 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.263 4.318 -6.692 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.261 5.536 -5.928 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.588 6.232 -5.813 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.713 7.323 -6.868 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.986 6.346 -7.594 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.737 6.503 -8.734 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.071 4.988 -8.043 1.00 1.50 H new ATOM 1095 N SER A 70 -4.867 8.438 -8.125 1.00 0.95 N ATOM 1096 CA SER A 70 -3.618 9.003 -7.639 1.00 1.00 C ATOM 1097 C SER A 70 -3.738 9.353 -6.157 1.00 0.93 C ATOM 1098 O SER A 70 -4.841 9.385 -5.609 1.00 0.89 O ATOM 1099 CB SER A 70 -3.241 10.249 -8.447 1.00 1.17 C ATOM 1100 OG SER A 70 -1.889 10.619 -8.226 1.00 1.46 O ATOM 0 H SER A 70 -5.698 8.974 -7.873 1.00 0.95 H new ATOM 0 HA SER A 70 -2.831 8.259 -7.763 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.399 10.058 -9.508 1.00 1.17 H new ATOM 0 HB3 SER A 70 -3.896 11.075 -8.171 1.00 1.17 H new ATOM 0 HG SER A 70 -1.677 11.416 -8.756 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.598 9.615 -5.527 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.545 9.961 -4.110 1.00 0.99 C ATOM 1108 C LEU A 71 -3.215 11.307 -3.844 1.00 1.00 C ATOM 1109 O LEU A 71 -2.809 12.332 -4.392 1.00 1.13 O ATOM 1110 CB LEU A 71 -1.088 10.005 -3.621 1.00 1.11 C ATOM 1111 CG LEU A 71 -0.218 11.119 -4.221 1.00 1.24 C ATOM 1112 CD1 LEU A 71 0.819 11.585 -3.214 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.460 10.644 -5.500 1.00 1.28 C ATOM 0 H LEU A 71 -1.686 9.594 -5.983 1.00 1.01 H new ATOM 0 HA LEU A 71 -3.086 9.190 -3.562 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -1.091 10.116 -2.537 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.621 9.045 -3.842 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.865 11.961 -4.468 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.427 12.375 -3.656 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.317 11.968 -2.326 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.459 10.747 -2.936 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.071 11.449 -5.908 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.093 9.784 -5.279 1.00 1.28 H new ATOM 0 HD23 LEU A 71 -0.298 10.359 -6.229 1.00 1.28 H new ATOM 1125 N LYS A 72 -4.245 11.293 -3.007 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.977 12.501 -2.650 1.00 0.99 C ATOM 1127 C LYS A 72 -5.963 12.197 -1.536 1.00 0.95 C ATOM 1128 O LYS A 72 -6.186 11.036 -1.202 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.733 13.068 -3.857 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.100 14.321 -4.432 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.973 14.938 -5.507 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.247 16.051 -6.239 1.00 1.62 C ATOM 1133 NZ LYS A 72 -6.105 16.680 -7.277 1.00 1.90 N ATOM 0 H LYS A 72 -4.595 10.447 -2.558 1.00 0.95 H new ATOM 0 HA LYS A 72 -4.255 13.245 -2.313 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.784 12.306 -4.635 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.758 13.291 -3.562 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -4.935 15.046 -3.635 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.123 14.078 -4.850 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.275 14.169 -6.218 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.884 15.331 -5.056 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -4.927 16.809 -5.523 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.346 15.652 -6.705 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.642 17.539 -7.637 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.250 16.011 -8.060 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -7.025 16.931 -6.862 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.533 13.241 -0.957 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.513 13.084 0.104 1.00 1.01 C ATOM 1149 C GLU A 73 -8.855 12.686 -0.501 1.00 0.98 C ATOM 1150 O GLU A 73 -9.582 11.857 0.046 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.644 14.383 0.908 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.343 14.821 1.569 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.574 15.837 0.744 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.078 15.481 -0.348 1.00 1.98 O ATOM 1155 OE2 GLU A 73 -5.451 16.999 1.188 1.00 1.66 O ATOM 0 H GLU A 73 -6.333 14.210 -1.205 1.00 1.00 H new ATOM 0 HA GLU A 73 -7.184 12.299 0.785 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.992 15.177 0.247 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -8.406 14.251 1.676 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.564 15.248 2.547 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.714 13.947 1.737 1.00 1.33 H new ATOM 1162 N MET A 74 -9.169 13.285 -1.640 1.00 1.01 N ATOM 1163 CA MET A 74 -10.402 12.996 -2.358 1.00 1.03 C ATOM 1164 C MET A 74 -10.265 13.433 -3.810 1.00 1.05 C ATOM 1165 O MET A 74 -10.165 14.625 -4.106 1.00 1.16 O ATOM 1166 CB MET A 74 -11.610 13.673 -1.692 1.00 1.15 C ATOM 1167 CG MET A 74 -11.371 15.113 -1.268 1.00 1.26 C ATOM 1168 SD MET A 74 -12.805 15.823 -0.436 1.00 1.65 S ATOM 1169 CE MET A 74 -12.173 17.442 -0.001 1.00 1.77 C ATOM 0 H MET A 74 -8.578 13.983 -2.092 1.00 1.01 H new ATOM 0 HA MET A 74 -10.577 11.921 -2.327 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.452 13.646 -2.383 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.898 13.093 -0.816 1.00 1.15 H new ATOM 0 HG2 MET A 74 -10.509 15.156 -0.603 1.00 1.26 H new ATOM 0 HG3 MET A 74 -11.128 15.713 -2.145 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.945 18.006 0.522 1.00 1.77 H new ATOM 0 HE2 MET A 74 -11.303 17.331 0.646 1.00 1.77 H new ATOM 0 HE3 MET A 74 -11.885 17.976 -0.907 1.00 1.77 H new ATOM 1179 N GLU A 75 -10.240 12.465 -4.716 1.00 1.07 N ATOM 1180 CA GLU A 75 -10.088 12.762 -6.132 1.00 1.14 C ATOM 1181 C GLU A 75 -11.191 12.117 -6.977 1.00 1.13 C ATOM 1182 O GLU A 75 -12.223 12.732 -7.243 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.707 12.301 -6.616 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.390 12.698 -8.050 1.00 1.28 C ATOM 1185 CD GLU A 75 -8.148 14.184 -8.213 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -9.062 14.980 -7.919 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -7.040 14.564 -8.646 1.00 1.89 O ATOM 0 H GLU A 75 -10.323 11.472 -4.496 1.00 1.07 H new ATOM 0 HA GLU A 75 -10.176 13.841 -6.256 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.945 12.718 -5.958 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.646 11.216 -6.528 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.508 12.153 -8.385 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.215 12.397 -8.695 1.00 1.28 H new ATOM 1194 N THR A 76 -10.972 10.875 -7.384 1.00 1.06 N ATOM 1195 CA THR A 76 -11.922 10.159 -8.220 1.00 1.09 C ATOM 1196 C THR A 76 -13.028 9.496 -7.391 1.00 1.04 C ATOM 1197 O THR A 76 -12.858 9.277 -6.189 1.00 0.98 O ATOM 1198 CB THR A 76 -11.184 9.104 -9.063 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.896 8.842 -8.485 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.008 9.581 -10.499 1.00 1.29 C ATOM 0 H THR A 76 -10.137 10.339 -7.146 1.00 1.06 H new ATOM 0 HA THR A 76 -12.399 10.885 -8.879 1.00 1.09 H new ATOM 0 HB THR A 76 -11.780 8.191 -9.072 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.231 8.743 -9.198 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.484 8.818 -11.074 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.986 9.763 -10.944 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.428 10.504 -10.507 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.173 9.178 -8.041 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.348 8.550 -7.405 1.00 1.14 C ATOM 1210 C PRO A 77 -15.027 7.396 -6.453 1.00 1.01 C ATOM 1211 O PRO A 77 -14.063 6.643 -6.650 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.144 8.032 -8.599 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.857 9.011 -9.678 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.427 9.441 -9.477 1.00 1.24 C ATOM 0 HA PRO A 77 -15.868 9.268 -6.770 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -15.832 7.026 -8.880 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.210 7.985 -8.377 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.995 8.560 -10.661 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.533 9.864 -9.621 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.747 8.875 -10.113 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.289 10.494 -9.721 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.884 7.250 -5.446 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.739 6.215 -4.429 1.00 0.97 C ATOM 1224 C LEU A 78 -16.063 4.839 -4.997 1.00 0.95 C ATOM 1225 O LEU A 78 -15.513 3.831 -4.556 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.655 6.505 -3.234 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.269 7.715 -2.371 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.764 9.011 -3.003 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.833 7.564 -0.965 1.00 1.22 C ATOM 0 H LEU A 78 -16.700 7.848 -5.313 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.701 6.220 -4.097 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.668 6.657 -3.606 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.679 5.621 -2.596 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.182 7.758 -2.310 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.479 9.854 -2.374 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.318 9.128 -3.991 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.849 8.979 -3.097 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.551 8.429 -0.365 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.920 7.495 -1.014 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.433 6.659 -0.508 1.00 1.22 H new ATOM 1241 N SER A 79 -16.954 4.799 -5.977 1.00 1.07 N ATOM 1242 CA SER A 79 -17.343 3.543 -6.606 1.00 1.12 C ATOM 1243 C SER A 79 -16.136 2.892 -7.272 1.00 1.00 C ATOM 1244 O SER A 79 -16.043 1.671 -7.373 1.00 1.04 O ATOM 1245 CB SER A 79 -18.446 3.805 -7.630 1.00 1.31 C ATOM 1246 OG SER A 79 -18.666 5.200 -7.787 1.00 1.68 O ATOM 0 H SER A 79 -17.422 5.623 -6.355 1.00 1.07 H new ATOM 0 HA SER A 79 -17.722 2.860 -5.845 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.171 3.365 -8.589 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.368 3.320 -7.310 1.00 1.31 H new ATOM 0 HG SER A 79 -19.375 5.347 -8.448 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.193 3.725 -7.696 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.986 3.246 -8.344 1.00 0.88 C ATOM 1254 C ALA A 80 -12.800 3.310 -7.388 1.00 0.74 C ATOM 1255 O ALA A 80 -11.644 3.344 -7.815 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.706 4.059 -9.598 1.00 1.02 C ATOM 0 H ALA A 80 -15.245 4.739 -7.600 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.136 2.205 -8.630 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.798 3.690 -10.075 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.544 3.963 -10.289 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.575 5.107 -9.330 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.086 3.355 -6.091 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.035 3.404 -5.081 1.00 0.55 C ATOM 1264 C LEU A 81 -11.440 2.015 -4.889 1.00 0.52 C ATOM 1265 O LEU A 81 -10.292 1.865 -4.477 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.587 3.919 -3.747 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.805 5.061 -3.089 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.314 4.765 -3.064 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.082 6.379 -3.796 1.00 0.75 C ATOM 0 H LEU A 81 -14.034 3.359 -5.715 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.259 4.089 -5.423 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.612 4.253 -3.906 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.628 3.084 -3.048 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.144 5.147 -2.057 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.786 5.593 -2.591 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.134 3.850 -2.499 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.951 4.639 -4.084 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.517 7.177 -3.313 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.781 6.302 -4.841 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.147 6.604 -3.741 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.237 1.006 -5.194 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.797 -0.364 -5.062 1.00 0.62 C ATOM 1283 C GLY A 82 -12.949 -1.329 -5.210 1.00 0.63 C ATOM 1284 O GLY A 82 -13.477 -1.825 -4.220 1.00 0.64 O ATOM 0 H GLY A 82 -13.192 1.114 -5.535 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.041 -0.579 -5.817 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -11.325 -0.504 -4.089 1.00 0.62 H new ATOM 1288 N MET A 83 -13.336 -1.599 -6.447 1.00 0.84 N ATOM 1289 CA MET A 83 -14.450 -2.501 -6.715 1.00 1.01 C ATOM 1290 C MET A 83 -14.001 -3.958 -6.653 1.00 0.98 C ATOM 1291 O MET A 83 -14.095 -4.698 -7.632 1.00 1.26 O ATOM 1292 CB MET A 83 -15.091 -2.189 -8.072 1.00 1.34 C ATOM 1293 CG MET A 83 -14.101 -2.068 -9.219 1.00 1.54 C ATOM 1294 SD MET A 83 -14.916 -1.902 -10.816 1.00 2.03 S ATOM 1295 CE MET A 83 -13.520 -1.533 -11.872 1.00 2.27 C ATOM 0 H MET A 83 -12.898 -1.208 -7.281 1.00 0.84 H new ATOM 0 HA MET A 83 -15.201 -2.345 -5.940 1.00 1.01 H new ATOM 0 HB2 MET A 83 -15.810 -2.973 -8.310 1.00 1.34 H new ATOM 0 HB3 MET A 83 -15.650 -1.257 -7.991 1.00 1.34 H new ATOM 0 HG2 MET A 83 -13.458 -1.204 -9.051 1.00 1.54 H new ATOM 0 HG3 MET A 83 -13.456 -2.947 -9.233 1.00 1.54 H new ATOM 0 HE1 MET A 83 -13.864 -1.402 -12.898 1.00 2.27 H new ATOM 0 HE2 MET A 83 -13.038 -0.616 -11.531 1.00 2.27 H new ATOM 0 HE3 MET A 83 -12.805 -2.355 -11.831 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.499 -4.345 -5.491 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.033 -5.700 -5.233 1.00 0.89 C ATOM 1307 C GLN A 84 -12.548 -5.786 -3.797 1.00 0.84 C ATOM 1308 O GLN A 84 -12.693 -4.827 -3.036 1.00 1.06 O ATOM 1309 CB GLN A 84 -11.927 -6.126 -6.212 1.00 0.92 C ATOM 1310 CG GLN A 84 -10.680 -5.255 -6.192 1.00 0.99 C ATOM 1311 CD GLN A 84 -9.759 -5.535 -7.370 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -8.533 -5.507 -7.242 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -10.342 -5.784 -8.533 1.00 1.38 N ATOM 0 H GLN A 84 -13.402 -3.720 -4.691 1.00 0.89 H new ATOM 0 HA GLN A 84 -13.863 -6.389 -5.385 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -11.638 -7.153 -5.986 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.337 -6.125 -7.222 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -10.973 -4.205 -6.205 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.137 -5.423 -5.262 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.360 -5.799 -8.600 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -9.773 -5.961 -9.361 1.00 1.38 H new ATOM 1322 N ASN A 85 -11.964 -6.912 -3.421 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.495 -7.086 -2.054 1.00 0.78 C ATOM 1324 C ASN A 85 -10.169 -6.375 -1.802 1.00 0.72 C ATOM 1325 O ASN A 85 -9.097 -6.964 -1.921 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.390 -8.572 -1.685 1.00 0.91 C ATOM 1327 CG ASN A 85 -10.725 -9.418 -2.750 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.362 -9.812 -3.725 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -9.458 -9.737 -2.554 1.00 1.09 N ATOM 0 H ASN A 85 -11.804 -7.711 -4.034 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.240 -6.622 -1.408 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -10.829 -8.668 -0.755 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.390 -8.962 -1.496 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -8.972 -10.332 -3.225 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -8.966 -9.389 -1.731 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.254 -5.086 -1.492 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.068 -4.308 -1.182 1.00 0.57 C ATOM 1338 C GLY A 86 -8.340 -3.764 -2.392 1.00 0.51 C ATOM 1339 O GLY A 86 -7.986 -2.584 -2.416 1.00 0.49 O ATOM 0 H GLY A 86 -11.129 -4.563 -1.450 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.353 -3.474 -0.540 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.380 -4.930 -0.609 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.116 -4.626 -3.384 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.398 -4.261 -4.607 1.00 0.62 C ATOM 1345 C CYS A 87 -5.896 -4.175 -4.313 1.00 0.65 C ATOM 1346 O CYS A 87 -5.424 -4.721 -3.316 1.00 0.68 O ATOM 1347 CB CYS A 87 -7.922 -2.936 -5.187 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.575 -2.688 -6.945 1.00 0.79 S ATOM 0 H CYS A 87 -8.427 -5.597 -3.363 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.570 -5.033 -5.357 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.000 -2.890 -5.034 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.484 -2.111 -4.625 1.00 0.62 H new ATOM 0 HG CYS A 87 -7.960 -3.733 -7.615 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.142 -3.515 -5.175 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.702 -3.386 -4.979 1.00 0.77 C ATOM 1356 C ARG A 88 -3.306 -1.919 -4.974 1.00 0.75 C ATOM 1357 O ARG A 88 -3.971 -1.096 -5.604 1.00 0.72 O ATOM 1358 CB ARG A 88 -2.930 -4.127 -6.079 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.258 -5.610 -6.185 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.403 -5.868 -7.158 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.081 -5.432 -8.519 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.961 -4.887 -9.362 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.233 -4.751 -9.011 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.566 -4.490 -10.566 1.00 1.74 N ATOM 0 H ARG A 88 -5.498 -3.060 -6.016 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.449 -3.833 -4.018 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.140 -3.651 -7.037 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -1.861 -4.016 -5.895 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.373 -6.156 -6.512 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.524 -5.995 -5.200 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.639 -6.932 -7.165 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.296 -5.346 -6.813 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.122 -5.553 -8.844 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.545 -5.064 -8.091 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -6.899 -4.334 -9.661 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.591 -4.602 -10.846 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.237 -4.073 -11.211 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.242 -1.589 -4.252 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.757 -0.215 -4.185 1.00 0.79 C ATOM 1380 C VAL A 89 -0.234 -0.180 -4.167 1.00 0.92 C ATOM 1381 O VAL A 89 0.410 -0.929 -3.433 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.292 0.553 -2.949 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.749 0.949 -3.138 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.120 -0.260 -1.676 1.00 0.69 C ATOM 0 H VAL A 89 -1.698 -2.255 -3.704 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.134 0.281 -5.079 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.701 1.464 -2.850 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.097 1.486 -2.256 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.841 1.592 -4.014 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.354 0.053 -3.280 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.505 0.306 -0.828 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.669 -1.197 -1.766 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.062 -0.473 -1.520 1.00 0.69 H new ATOM 1394 N MET A 90 0.340 0.682 -4.990 1.00 0.97 N ATOM 1395 CA MET A 90 1.786 0.820 -5.060 1.00 1.10 C ATOM 1396 C MET A 90 2.157 2.289 -4.955 1.00 1.14 C ATOM 1397 O MET A 90 1.431 3.157 -5.446 1.00 1.13 O ATOM 1398 CB MET A 90 2.337 0.220 -6.364 1.00 1.21 C ATOM 1399 CG MET A 90 2.544 1.242 -7.478 1.00 1.49 C ATOM 1400 SD MET A 90 3.019 0.500 -9.051 1.00 1.66 S ATOM 1401 CE MET A 90 3.117 1.963 -10.081 1.00 2.09 C ATOM 0 H MET A 90 -0.174 1.298 -5.620 1.00 0.97 H new ATOM 0 HA MET A 90 2.231 0.272 -4.229 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.288 -0.270 -6.153 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.652 -0.551 -6.715 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.624 1.810 -7.616 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.313 1.951 -7.172 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.922 1.844 -10.806 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.173 2.101 -10.607 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.316 2.834 -9.457 1.00 2.09 H new ATOM 1411 N LEU A 91 3.265 2.572 -4.299 1.00 1.21 N ATOM 1412 CA LEU A 91 3.715 3.942 -4.153 1.00 1.27 C ATOM 1413 C LEU A 91 5.154 4.089 -4.625 1.00 1.41 C ATOM 1414 O LEU A 91 6.033 3.302 -4.260 1.00 1.47 O ATOM 1415 CB LEU A 91 3.508 4.470 -2.705 1.00 1.22 C ATOM 1416 CG LEU A 91 4.387 3.907 -1.557 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.555 2.396 -1.636 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.740 4.606 -1.507 1.00 1.42 C ATOM 0 H LEU A 91 3.868 1.876 -3.861 1.00 1.21 H new ATOM 0 HA LEU A 91 3.096 4.570 -4.794 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.651 5.550 -2.727 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.467 4.292 -2.437 1.00 1.22 H new ATOM 0 HG LEU A 91 3.858 4.116 -0.627 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.178 2.056 -0.809 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.578 1.918 -1.574 1.00 1.25 H new ATOM 0 HD13 LEU A 91 5.029 2.132 -2.581 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.334 4.191 -0.693 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.263 4.455 -2.451 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.592 5.673 -1.341 1.00 1.42 H new ATOM 1430 N ILE A 92 5.380 5.073 -5.484 1.00 1.50 N ATOM 1431 CA ILE A 92 6.705 5.333 -6.011 1.00 1.65 C ATOM 1432 C ILE A 92 7.351 6.474 -5.239 1.00 1.71 C ATOM 1433 O ILE A 92 7.338 7.627 -5.672 1.00 1.89 O ATOM 1434 CB ILE A 92 6.667 5.672 -7.520 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.772 4.677 -8.268 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.076 5.663 -8.101 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.718 4.910 -9.765 1.00 1.79 C ATOM 0 H ILE A 92 4.657 5.705 -5.830 1.00 1.50 H new ATOM 0 HA ILE A 92 7.296 4.425 -5.891 1.00 1.65 H new ATOM 0 HB ILE A 92 6.249 6.671 -7.642 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.132 3.666 -8.080 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.762 4.736 -7.864 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.033 5.903 -9.163 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.687 6.404 -7.586 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.517 4.675 -7.970 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.066 4.168 -10.225 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.329 5.908 -9.964 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.721 4.821 -10.183 1.00 1.79 H new ATOM 1449 N GLY A 93 7.879 6.142 -4.076 1.00 1.73 N ATOM 1450 CA GLY A 93 8.520 7.124 -3.235 1.00 1.80 C ATOM 1451 C GLY A 93 9.237 6.471 -2.075 1.00 1.84 C ATOM 1452 O GLY A 93 9.725 5.344 -2.199 1.00 1.89 O ATOM 0 H GLY A 93 7.874 5.196 -3.695 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.231 7.703 -3.825 1.00 1.80 H new ATOM 0 HA3 GLY A 93 7.775 7.824 -2.857 1.00 1.80 H new ATOM 1456 N GLU A 94 9.272 7.152 -0.944 1.00 1.88 N ATOM 1457 CA GLU A 94 9.943 6.627 0.231 1.00 1.97 C ATOM 1458 C GLU A 94 8.946 5.941 1.162 1.00 1.80 C ATOM 1459 O GLU A 94 7.794 6.349 1.273 1.00 1.84 O ATOM 1460 CB GLU A 94 10.693 7.754 0.960 1.00 2.22 C ATOM 1461 CG GLU A 94 11.189 7.391 2.357 1.00 2.66 C ATOM 1462 CD GLU A 94 12.246 6.299 2.366 1.00 2.63 C ATOM 1463 OE1 GLU A 94 12.037 5.246 1.735 1.00 2.85 O ATOM 1464 OE2 GLU A 94 13.282 6.473 3.040 1.00 3.03 O ATOM 0 H GLU A 94 8.844 8.069 -0.814 1.00 1.88 H new ATOM 0 HA GLU A 94 10.670 5.879 -0.087 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.547 8.055 0.353 1.00 2.22 H new ATOM 0 HB3 GLU A 94 10.035 8.620 1.037 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.597 8.283 2.831 1.00 2.66 H new ATOM 0 HG3 GLU A 94 10.341 7.069 2.961 1.00 2.66 H new ATOM 1471 N LYS A 95 9.407 4.887 1.814 1.00 1.82 N ATOM 1472 CA LYS A 95 8.593 4.126 2.745 1.00 1.72 C ATOM 1473 C LYS A 95 9.102 4.364 4.160 1.00 1.77 C ATOM 1474 O LYS A 95 9.927 3.605 4.672 1.00 1.96 O ATOM 1475 CB LYS A 95 8.656 2.637 2.401 1.00 1.81 C ATOM 1476 CG LYS A 95 7.723 1.758 3.221 1.00 1.79 C ATOM 1477 CD LYS A 95 8.323 0.375 3.421 1.00 2.06 C ATOM 1478 CE LYS A 95 7.297 -0.621 3.936 1.00 2.15 C ATOM 1479 NZ LYS A 95 7.943 -1.873 4.417 1.00 2.38 N ATOM 0 H LYS A 95 10.359 4.535 1.712 1.00 1.82 H new ATOM 0 HA LYS A 95 7.555 4.451 2.675 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.418 2.511 1.345 1.00 1.81 H new ATOM 0 HB3 LYS A 95 9.679 2.288 2.541 1.00 1.81 H new ATOM 0 HG2 LYS A 95 7.536 2.222 4.189 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.760 1.673 2.717 1.00 1.79 H new ATOM 0 HD2 LYS A 95 8.733 0.018 2.476 1.00 2.06 H new ATOM 0 HD3 LYS A 95 9.153 0.438 4.125 1.00 2.06 H new ATOM 0 HE2 LYS A 95 6.727 -0.170 4.748 1.00 2.15 H new ATOM 0 HE3 LYS A 95 6.589 -0.858 3.142 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 7.211 -2.556 4.698 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 8.522 -2.280 3.655 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 8.549 -1.659 5.235 1.00 2.38 H new ATOM 1493 N SER A 96 8.633 5.439 4.769 1.00 1.80 N ATOM 1494 CA SER A 96 9.043 5.801 6.113 1.00 1.92 C ATOM 1495 C SER A 96 8.351 4.926 7.152 1.00 1.83 C ATOM 1496 O SER A 96 7.142 4.705 7.086 1.00 1.95 O ATOM 1497 CB SER A 96 8.724 7.275 6.363 1.00 2.15 C ATOM 1498 OG SER A 96 9.011 8.052 5.211 1.00 2.38 O ATOM 0 H SER A 96 7.962 6.081 4.348 1.00 1.80 H new ATOM 0 HA SER A 96 10.117 5.641 6.205 1.00 1.92 H new ATOM 0 HB2 SER A 96 7.673 7.385 6.629 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.307 7.640 7.209 1.00 2.15 H new ATOM 0 HG SER A 96 8.799 8.992 5.389 1.00 2.38 H new ATOM 1504 N ASN A 97 9.129 4.417 8.098 1.00 1.89 N ATOM 1505 CA ASN A 97 8.597 3.575 9.158 1.00 1.93 C ATOM 1506 C ASN A 97 9.466 3.687 10.402 1.00 2.29 C ATOM 1507 O ASN A 97 10.527 3.037 10.446 1.00 2.53 O ATOM 1508 CB ASN A 97 8.519 2.113 8.717 1.00 1.89 C ATOM 1509 CG ASN A 97 7.856 1.231 9.763 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.367 0.163 10.103 1.00 2.24 O ATOM 1511 ND2 ASN A 97 6.701 1.655 10.260 1.00 1.96 N ATOM 1512 OXT ASN A 97 9.093 4.444 11.324 1.00 2.61 O ATOM 0 H ASN A 97 10.135 4.574 8.152 1.00 1.89 H new ATOM 0 HA ASN A 97 7.589 3.921 9.385 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.962 2.047 7.783 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.524 1.742 8.516 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.204 1.090 10.949 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.310 2.546 9.953 1.00 1.96 H new TER 1519 ASN A 97 ATOM 1520 N ARG B 185 23.942 4.661 4.585 1.00 5.24 N ATOM 1521 CA ARG B 185 22.676 5.285 4.127 1.00 5.09 C ATOM 1522 C ARG B 185 21.540 4.969 5.089 1.00 5.04 C ATOM 1523 O ARG B 185 21.439 3.854 5.606 1.00 4.90 O ATOM 1524 CB ARG B 185 22.312 4.820 2.711 1.00 4.43 C ATOM 1525 CG ARG B 185 22.408 3.317 2.505 1.00 4.00 C ATOM 1526 CD ARG B 185 21.917 2.906 1.123 1.00 3.44 C ATOM 1527 NE ARG B 185 22.689 3.536 0.051 1.00 3.76 N ATOM 1528 CZ ARG B 185 22.435 3.380 -1.251 1.00 3.61 C ATOM 1529 NH1 ARG B 185 21.488 2.548 -1.655 1.00 3.10 N ATOM 1530 NH2 ARG B 185 23.170 4.021 -2.146 1.00 4.24 N ATOM 0 HA ARG B 185 22.827 6.364 4.106 1.00 5.09 H new ATOM 0 HB2 ARG B 185 21.296 5.142 2.485 1.00 4.43 H new ATOM 0 HB3 ARG B 185 22.970 5.316 1.997 1.00 4.43 H new ATOM 0 HG2 ARG B 185 23.442 2.997 2.634 1.00 4.00 H new ATOM 0 HG3 ARG B 185 21.819 2.807 3.267 1.00 4.00 H new ATOM 0 HD2 ARG B 185 21.980 1.822 1.025 1.00 3.44 H new ATOM 0 HD3 ARG B 185 20.866 3.175 1.018 1.00 3.44 H new ATOM 0 HE ARG B 185 23.472 4.133 0.316 1.00 3.76 H new ATOM 0 HH11 ARG B 185 20.946 2.021 -0.970 1.00 3.10 H new ATOM 0 HH12 ARG B 185 21.300 2.434 -2.651 1.00 3.10 H new ATOM 0 HH21 ARG B 185 23.928 4.632 -1.841 1.00 4.24 H new ATOM 0 HH22 ARG B 185 22.979 3.904 -3.141 1.00 4.24 H new ATOM 1546 N TYR B 186 20.677 5.951 5.314 1.00 5.30 N ATOM 1547 CA TYR B 186 19.550 5.790 6.223 1.00 5.40 C ATOM 1548 C TYR B 186 18.259 5.517 5.453 1.00 4.76 C ATOM 1549 O TYR B 186 17.272 6.240 5.582 1.00 4.97 O ATOM 1550 CB TYR B 186 19.396 7.035 7.111 1.00 6.21 C ATOM 1551 CG TYR B 186 19.685 8.349 6.408 1.00 6.50 C ATOM 1552 CD1 TYR B 186 18.744 8.937 5.571 1.00 6.39 C ATOM 1553 CD2 TYR B 186 20.898 9.006 6.591 1.00 7.04 C ATOM 1554 CE1 TYR B 186 19.002 10.136 4.940 1.00 6.82 C ATOM 1555 CE2 TYR B 186 21.162 10.207 5.959 1.00 7.46 C ATOM 1556 CZ TYR B 186 20.210 10.767 5.136 1.00 7.36 C ATOM 1557 OH TYR B 186 20.468 11.964 4.507 1.00 7.91 O ATOM 0 H TYR B 186 20.737 6.871 4.877 1.00 5.30 H new ATOM 0 HA TYR B 186 19.749 4.929 6.861 1.00 5.40 H new ATOM 0 HB2 TYR B 186 18.379 7.063 7.503 1.00 6.21 H new ATOM 0 HB3 TYR B 186 20.065 6.940 7.967 1.00 6.21 H new ATOM 0 HD1 TYR B 186 17.795 8.447 5.412 1.00 6.39 H new ATOM 0 HD2 TYR B 186 21.646 8.571 7.237 1.00 7.04 H new ATOM 0 HE1 TYR B 186 18.258 10.579 4.294 1.00 6.82 H new ATOM 0 HE2 TYR B 186 22.109 10.703 6.110 1.00 7.46 H new ATOM 0 HH TYR B 186 21.364 12.276 4.752 1.00 7.91 H new ATOM 1567 N HIS B 187 18.275 4.473 4.635 1.00 4.11 N ATOM 1568 CA HIS B 187 17.104 4.097 3.856 1.00 3.50 C ATOM 1569 C HIS B 187 16.979 2.584 3.818 1.00 2.93 C ATOM 1570 O HIS B 187 17.810 1.907 3.212 1.00 2.65 O ATOM 1571 CB HIS B 187 17.179 4.639 2.421 1.00 3.36 C ATOM 1572 CG HIS B 187 17.005 6.124 2.300 1.00 3.78 C ATOM 1573 ND1 HIS B 187 15.791 6.766 2.434 1.00 4.02 N ATOM 1574 CD2 HIS B 187 17.909 7.096 2.039 1.00 4.34 C ATOM 1575 CE1 HIS B 187 15.959 8.063 2.260 1.00 4.46 C ATOM 1576 NE2 HIS B 187 17.235 8.291 2.018 1.00 4.67 N ATOM 0 H HIS B 187 19.087 3.872 4.494 1.00 4.11 H new ATOM 0 HA HIS B 187 16.229 4.534 4.338 1.00 3.50 H new ATOM 0 HB2 HIS B 187 18.143 4.364 1.994 1.00 3.36 H new ATOM 0 HB3 HIS B 187 16.413 4.147 1.821 1.00 3.36 H new ATOM 0 HD1 HIS B 187 14.902 6.309 2.636 1.00 4.02 H new ATOM 0 HD2 HIS B 187 18.968 6.957 1.877 1.00 4.34 H new ATOM 0 HE1 HIS B 187 15.182 8.812 2.308 1.00 4.46 H new ATOM 1585 N ARG B 188 15.963 2.062 4.494 1.00 2.96 N ATOM 1586 CA ARG B 188 15.722 0.627 4.528 1.00 2.79 C ATOM 1587 C ARG B 188 15.503 0.092 3.118 1.00 2.14 C ATOM 1588 O ARG B 188 14.802 0.710 2.317 1.00 1.99 O ATOM 1589 CB ARG B 188 14.513 0.302 5.416 1.00 3.34 C ATOM 1590 CG ARG B 188 13.207 0.925 4.943 1.00 3.55 C ATOM 1591 CD ARG B 188 12.605 1.845 5.997 1.00 3.79 C ATOM 1592 NE ARG B 188 13.460 3.004 6.275 1.00 3.55 N ATOM 1593 CZ ARG B 188 13.550 4.073 5.481 1.00 3.89 C ATOM 1594 NH1 ARG B 188 12.840 4.131 4.364 1.00 4.48 N ATOM 1595 NH2 ARG B 188 14.358 5.077 5.800 1.00 4.04 N ATOM 0 H ARG B 188 15.291 2.614 5.027 1.00 2.96 H new ATOM 0 HA ARG B 188 16.601 0.142 4.953 1.00 2.79 H new ATOM 0 HB2 ARG B 188 14.391 -0.780 5.462 1.00 3.34 H new ATOM 0 HB3 ARG B 188 14.719 0.643 6.430 1.00 3.34 H new ATOM 0 HG2 ARG B 188 13.384 1.489 4.027 1.00 3.55 H new ATOM 0 HG3 ARG B 188 12.495 0.136 4.700 1.00 3.55 H new ATOM 0 HD2 ARG B 188 11.627 2.190 5.660 1.00 3.79 H new ATOM 0 HD3 ARG B 188 12.446 1.284 6.918 1.00 3.79 H new ATOM 0 HE ARG B 188 14.020 2.992 7.127 1.00 3.55 H new ATOM 0 HH11 ARG B 188 12.224 3.358 4.110 1.00 4.48 H new ATOM 0 HH12 ARG B 188 12.909 4.948 3.758 1.00 4.48 H new ATOM 0 HH21 ARG B 188 14.913 5.033 6.655 1.00 4.04 H new ATOM 0 HH22 ARG B 188 14.424 5.892 5.190 1.00 4.04 H new ATOM 1609 N ARG B 189 16.129 -1.046 2.820 1.00 2.02 N ATOM 1610 CA ARG B 189 16.026 -1.680 1.505 1.00 1.77 C ATOM 1611 C ARG B 189 16.587 -0.775 0.410 1.00 1.33 C ATOM 1612 O ARG B 189 16.095 -0.760 -0.718 1.00 1.67 O ATOM 1613 CB ARG B 189 14.576 -2.053 1.182 1.00 2.37 C ATOM 1614 CG ARG B 189 14.123 -3.349 1.823 1.00 3.12 C ATOM 1615 CD ARG B 189 13.399 -3.099 3.131 1.00 3.82 C ATOM 1616 NE ARG B 189 12.759 -4.312 3.635 1.00 4.33 N ATOM 1617 CZ ARG B 189 12.466 -4.526 4.912 1.00 4.83 C ATOM 1618 NH1 ARG B 189 12.808 -3.634 5.834 1.00 4.91 N ATOM 1619 NH2 ARG B 189 11.852 -5.646 5.269 1.00 5.48 N ATOM 0 H ARG B 189 16.719 -1.553 3.480 1.00 2.02 H new ATOM 0 HA ARG B 189 16.620 -2.593 1.539 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.921 -1.247 1.511 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.463 -2.134 0.101 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.465 -3.884 1.138 1.00 3.12 H new ATOM 0 HG3 ARG B 189 14.987 -3.989 2.001 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.105 -2.725 3.872 1.00 3.82 H new ATOM 0 HD3 ARG B 189 12.647 -2.323 2.988 1.00 3.82 H new ATOM 0 HE ARG B 189 12.522 -5.041 2.962 1.00 4.33 H new ATOM 0 HH11 ARG B 189 13.297 -2.781 5.562 1.00 4.91 H new ATOM 0 HH12 ARG B 189 12.581 -3.801 6.814 1.00 4.91 H new ATOM 0 HH21 ARG B 189 11.606 -6.340 4.563 1.00 5.48 H new ATOM 0 HH22 ARG B 189 11.626 -5.813 6.249 1.00 5.48 H new ATOM 1633 N GLY B 190 17.611 -0.012 0.756 1.00 1.17 N ATOM 1634 CA GLY B 190 18.231 0.863 -0.211 1.00 1.54 C ATOM 1635 C GLY B 190 19.337 0.149 -0.951 1.00 1.70 C ATOM 1636 O GLY B 190 20.510 0.281 -0.599 1.00 1.97 O ATOM 0 H GLY B 190 18.023 0.016 1.689 1.00 1.17 H new ATOM 0 HA2 GLY B 190 17.483 1.217 -0.920 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.633 1.742 0.293 1.00 1.54 H new ATOM 1640 N GLY B 191 18.965 -0.632 -1.957 1.00 1.91 N ATOM 1641 CA GLY B 191 19.942 -1.380 -2.724 1.00 2.36 C ATOM 1642 C GLY B 191 20.216 -2.721 -2.079 1.00 2.17 C ATOM 1643 O GLY B 191 20.142 -3.766 -2.726 1.00 2.71 O ATOM 0 H GLY B 191 17.999 -0.761 -2.257 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.578 -1.528 -3.741 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.868 -0.810 -2.797 1.00 2.36 H new ATOM 1647 N TYR B 192 20.543 -2.673 -0.799 1.00 1.71 N ATOM 1648 CA TYR B 192 20.799 -3.859 -0.007 1.00 1.86 C ATOM 1649 C TYR B 192 19.867 -3.830 1.196 1.00 1.87 C ATOM 1650 O TYR B 192 18.890 -3.081 1.190 1.00 2.21 O ATOM 1651 CB TYR B 192 22.264 -3.908 0.443 1.00 1.91 C ATOM 1652 CG TYR B 192 23.158 -4.739 -0.460 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.121 -4.583 -1.840 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.046 -5.674 0.069 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.939 -5.329 -2.667 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.867 -6.423 -0.756 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.808 -6.247 -2.120 1.00 3.77 C ATOM 1658 OH TYR B 192 25.628 -6.991 -2.941 1.00 4.48 O ATOM 0 H TYR B 192 20.639 -1.801 -0.278 1.00 1.71 H new ATOM 0 HA TYR B 192 20.614 -4.753 -0.603 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.654 -2.891 0.488 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.310 -4.312 1.454 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.441 -3.866 -2.274 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.094 -5.816 1.139 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.897 -5.193 -3.738 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.551 -7.143 -0.331 1.00 3.41 H new ATOM 0 HH TYR B 192 26.180 -7.590 -2.396 1.00 4.48 H new ATOM 1668 N ASP B 193 20.173 -4.607 2.231 1.00 2.08 N ATOM 1669 CA ASP B 193 19.326 -4.654 3.426 1.00 2.57 C ATOM 1670 C ASP B 193 19.007 -3.256 3.944 1.00 2.39 C ATOM 1671 O ASP B 193 17.860 -2.955 4.285 1.00 2.59 O ATOM 1672 CB ASP B 193 19.987 -5.467 4.536 1.00 3.18 C ATOM 1673 CG ASP B 193 19.037 -5.728 5.689 1.00 3.84 C ATOM 1674 OD1 ASP B 193 18.118 -6.552 5.520 1.00 4.22 O ATOM 1675 OD2 ASP B 193 19.204 -5.106 6.761 1.00 4.14 O ATOM 0 H ASP B 193 20.995 -5.210 2.270 1.00 2.08 H new ATOM 0 HA ASP B 193 18.394 -5.138 3.134 1.00 2.57 H new ATOM 0 HB2 ASP B 193 20.336 -6.417 4.131 1.00 3.18 H new ATOM 0 HB3 ASP B 193 20.865 -4.935 4.902 1.00 3.18 H new ATOM 1680 N VAL B 194 20.021 -2.398 3.989 1.00 2.39 N ATOM 1681 CA VAL B 194 19.842 -1.034 4.469 1.00 2.62 C ATOM 1682 C VAL B 194 21.117 -0.208 4.291 1.00 2.80 C ATOM 1683 O VAL B 194 21.053 1.001 4.069 1.00 3.15 O ATOM 1684 CB VAL B 194 19.412 -1.010 5.961 1.00 3.43 C ATOM 1685 CG1 VAL B 194 20.466 -1.661 6.849 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.121 0.410 6.428 1.00 3.78 C ATOM 0 H VAL B 194 20.973 -2.623 3.699 1.00 2.39 H new ATOM 0 HA VAL B 194 19.049 -0.590 3.868 1.00 2.62 H new ATOM 0 HB VAL B 194 18.493 -1.589 6.046 1.00 3.43 H new ATOM 0 HG11 VAL B 194 20.137 -1.629 7.888 1.00 3.97 H new ATOM 0 HG12 VAL B 194 20.608 -2.698 6.545 1.00 3.97 H new ATOM 0 HG13 VAL B 194 21.408 -1.122 6.750 1.00 3.97 H new ATOM 0 HG21 VAL B 194 18.822 0.394 7.476 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.017 1.021 6.315 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.315 0.833 5.828 1.00 3.78 H new ATOM 1696 N GLU B 195 22.274 -0.863 4.357 1.00 2.75 N ATOM 1697 CA GLU B 195 23.545 -0.161 4.237 1.00 3.12 C ATOM 1698 C GLU B 195 23.977 0.025 2.780 1.00 2.88 C ATOM 1699 O GLU B 195 23.502 -0.662 1.876 1.00 2.39 O ATOM 1700 CB GLU B 195 24.629 -0.894 5.031 1.00 3.40 C ATOM 1701 CG GLU B 195 25.824 -0.019 5.381 1.00 4.16 C ATOM 1702 CD GLU B 195 25.420 1.384 5.787 1.00 4.65 C ATOM 1703 OE1 GLU B 195 25.175 2.221 4.894 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.348 1.662 7.000 1.00 5.02 O ATOM 0 H GLU B 195 22.356 -1.871 4.492 1.00 2.75 H new ATOM 0 HA GLU B 195 23.405 0.836 4.654 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.193 -1.284 5.951 1.00 3.40 H new ATOM 0 HB3 GLU B 195 24.974 -1.751 4.453 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.383 -0.482 6.194 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.495 0.034 4.523 1.00 4.16 H new ATOM 1711 N ASN B 196 24.884 0.985 2.582 1.00 3.43 N ATOM 1712 CA ASN B 196 25.429 1.327 1.268 1.00 3.64 C ATOM 1713 C ASN B 196 26.406 0.259 0.794 1.00 3.41 C ATOM 1714 O ASN B 196 26.613 0.095 -0.410 1.00 3.56 O ATOM 1715 CB ASN B 196 26.157 2.676 1.352 1.00 4.47 C ATOM 1716 CG ASN B 196 26.209 3.419 0.027 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.348 4.246 -0.263 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.225 3.144 -0.779 1.00 5.14 N ATOM 0 H ASN B 196 25.264 1.553 3.339 1.00 3.43 H new ATOM 0 HA ASN B 196 24.605 1.389 0.557 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.660 3.303 2.092 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.174 2.510 1.707 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.311 3.626 -1.674 1.00 5.14 H new ATOM 0 HD22 ASN B 196 27.921 2.451 -0.504 1.00 5.14 H new ATOM 1725 N GLU B 197 26.996 -0.453 1.766 1.00 3.29 N ATOM 1726 CA GLU B 197 27.975 -1.530 1.530 1.00 3.26 C ATOM 1727 C GLU B 197 28.998 -1.173 0.437 1.00 3.82 C ATOM 1728 O GLU B 197 29.286 0.007 0.217 1.00 4.30 O ATOM 1729 CB GLU B 197 27.268 -2.873 1.252 1.00 2.93 C ATOM 1730 CG GLU B 197 26.031 -2.785 0.374 1.00 3.10 C ATOM 1731 CD GLU B 197 26.323 -3.119 -1.069 1.00 3.38 C ATOM 1732 OE1 GLU B 197 27.221 -3.945 -1.315 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.643 -2.573 -1.960 1.00 3.83 O ATOM 0 H GLU B 197 26.804 -0.295 2.755 1.00 3.29 H new ATOM 0 HA GLU B 197 28.550 -1.646 2.449 1.00 3.26 H new ATOM 0 HB2 GLU B 197 27.981 -3.549 0.781 1.00 2.93 H new ATOM 0 HB3 GLU B 197 26.986 -3.321 2.205 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.270 -3.466 0.755 1.00 3.10 H new ATOM 0 HG3 GLU B 197 25.617 -1.778 0.434 1.00 3.10 H new ATOM 1740 N GLU B 198 29.571 -2.182 -0.220 1.00 3.91 N ATOM 1741 CA GLU B 198 30.571 -1.940 -1.261 1.00 4.52 C ATOM 1742 C GLU B 198 30.656 -3.107 -2.248 1.00 4.64 C ATOM 1743 O GLU B 198 31.663 -3.281 -2.934 1.00 5.16 O ATOM 1744 CB GLU B 198 31.948 -1.705 -0.628 1.00 4.90 C ATOM 1745 CG GLU B 198 32.523 -0.324 -0.905 1.00 5.36 C ATOM 1746 CD GLU B 198 32.587 -0.001 -2.386 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.506 -0.496 -3.068 1.00 6.25 O ATOM 1748 OE2 GLU B 198 31.718 0.750 -2.873 1.00 6.45 O ATOM 0 H GLU B 198 29.363 -3.166 -0.052 1.00 3.91 H new ATOM 0 HA GLU B 198 30.261 -1.051 -1.811 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.871 -1.847 0.450 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.642 -2.459 -1.000 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.914 0.426 -0.400 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.525 -0.260 -0.480 1.00 5.36 H new ATOM 1755 N LYS B 199 29.607 -3.904 -2.321 1.00 4.32 N ATOM 1756 CA LYS B 199 29.578 -5.045 -3.224 1.00 4.64 C ATOM 1757 C LYS B 199 28.618 -4.754 -4.366 1.00 4.89 C ATOM 1758 O LYS B 199 28.967 -4.910 -5.540 1.00 5.53 O ATOM 1759 CB LYS B 199 29.162 -6.323 -2.478 1.00 4.38 C ATOM 1760 CG LYS B 199 30.275 -6.940 -1.639 1.00 4.54 C ATOM 1761 CD LYS B 199 30.645 -6.059 -0.452 1.00 4.53 C ATOM 1762 CE LYS B 199 31.913 -6.536 0.236 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.655 -7.682 1.147 1.00 4.56 N ATOM 0 H LYS B 199 28.760 -3.784 -1.765 1.00 4.32 H new ATOM 0 HA LYS B 199 30.578 -5.208 -3.626 1.00 4.64 H new ATOM 0 HB2 LYS B 199 28.316 -6.094 -1.830 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.817 -7.059 -3.204 1.00 4.38 H new ATOM 0 HG2 LYS B 199 29.959 -7.919 -1.280 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.155 -7.098 -2.262 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.781 -5.032 -0.791 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.824 -6.052 0.265 1.00 4.53 H new ATOM 0 HE2 LYS B 199 32.645 -6.829 -0.516 1.00 4.41 H new ATOM 0 HE3 LYS B 199 32.349 -5.713 0.803 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.546 -7.976 1.596 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.976 -7.396 1.881 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.263 -8.477 0.603 1.00 4.56 H new ATOM 1777 N VAL B 200 27.419 -4.304 -3.997 1.00 4.46 N ATOM 1778 CA VAL B 200 26.368 -3.942 -4.944 1.00 4.74 C ATOM 1779 C VAL B 200 26.196 -4.991 -6.041 1.00 5.32 C ATOM 1780 O VAL B 200 26.336 -4.691 -7.231 1.00 5.99 O ATOM 1781 CB VAL B 200 26.651 -2.567 -5.594 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.360 -1.928 -6.084 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.367 -1.643 -4.620 1.00 4.96 C ATOM 0 H VAL B 200 27.149 -4.180 -3.021 1.00 4.46 H new ATOM 0 HA VAL B 200 25.443 -3.888 -4.370 1.00 4.74 H new ATOM 0 HB VAL B 200 27.303 -2.728 -6.452 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.582 -0.962 -6.538 1.00 5.43 H new ATOM 0 HG12 VAL B 200 24.891 -2.577 -6.823 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.682 -1.787 -5.243 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.555 -0.683 -5.101 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.745 -1.492 -3.738 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.315 -2.092 -4.323 1.00 4.96 H new ATOM 1793 N LYS B 201 25.905 -6.224 -5.650 1.00 5.18 N ATOM 1794 CA LYS B 201 25.719 -7.286 -6.628 1.00 5.84 C ATOM 1795 C LYS B 201 24.576 -8.225 -6.237 1.00 5.78 C ATOM 1796 O LYS B 201 24.225 -9.129 -6.991 1.00 6.37 O ATOM 1797 CB LYS B 201 27.026 -8.067 -6.827 1.00 6.17 C ATOM 1798 CG LYS B 201 27.347 -9.052 -5.713 1.00 5.81 C ATOM 1799 CD LYS B 201 28.742 -9.645 -5.876 1.00 6.12 C ATOM 1800 CE LYS B 201 28.967 -10.201 -7.281 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.078 -11.356 -7.585 1.00 7.02 N ATOM 0 H LYS B 201 25.794 -6.511 -4.677 1.00 5.18 H new ATOM 0 HA LYS B 201 25.444 -6.820 -7.574 1.00 5.84 H new ATOM 0 HB2 LYS B 201 26.970 -8.610 -7.770 1.00 6.17 H new ATOM 0 HB3 LYS B 201 27.849 -7.358 -6.916 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.275 -8.549 -4.749 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.608 -9.853 -5.710 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.488 -8.879 -5.665 1.00 6.12 H new ATOM 0 HD3 LYS B 201 28.886 -10.440 -5.144 1.00 6.12 H new ATOM 0 HE2 LYS B 201 28.795 -9.412 -8.013 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.007 -10.510 -7.384 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 28.269 -11.697 -8.549 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 28.259 -12.122 -6.905 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.084 -11.057 -7.514 1.00 7.02 H new ATOM 1815 N LEU B 202 23.992 -8.005 -5.067 1.00 5.18 N ATOM 1816 CA LEU B 202 22.885 -8.837 -4.600 1.00 5.23 C ATOM 1817 C LEU B 202 21.564 -8.099 -4.762 1.00 4.95 C ATOM 1818 O LEU B 202 21.499 -6.886 -4.574 1.00 4.37 O ATOM 1819 CB LEU B 202 23.089 -9.230 -3.135 1.00 4.91 C ATOM 1820 CG LEU B 202 24.372 -10.007 -2.839 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.540 -10.207 -1.342 1.00 5.10 C ATOM 1822 CD2 LEU B 202 24.365 -11.347 -3.558 1.00 6.12 C ATOM 0 H LEU B 202 24.263 -7.261 -4.424 1.00 5.18 H new ATOM 0 HA LEU B 202 22.859 -9.744 -5.204 1.00 5.23 H new ATOM 0 HB2 LEU B 202 23.085 -8.324 -2.529 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.238 -9.831 -2.815 1.00 4.91 H new ATOM 0 HG LEU B 202 25.217 -9.425 -3.206 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.458 -10.762 -1.150 1.00 5.10 H new ATOM 0 HD12 LEU B 202 24.593 -9.236 -0.849 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.690 -10.766 -0.952 1.00 5.10 H new ATOM 0 HD21 LEU B 202 25.286 -11.885 -3.335 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.511 -11.935 -3.222 1.00 6.12 H new ATOM 0 HD23 LEU B 202 24.292 -11.183 -4.633 1.00 6.12 H new ATOM 1834 N GLY B 203 20.514 -8.830 -5.109 1.00 5.44 N ATOM 1835 CA GLY B 203 19.214 -8.216 -5.290 1.00 5.30 C ATOM 1836 C GLY B 203 18.174 -8.791 -4.352 1.00 5.32 C ATOM 1837 O GLY B 203 16.978 -8.540 -4.507 1.00 5.33 O ATOM 0 H GLY B 203 20.539 -9.837 -5.268 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.295 -7.142 -5.125 1.00 5.30 H new ATOM 0 HA3 GLY B 203 18.888 -8.356 -6.321 1.00 5.30 H new ATOM 1841 N MET B 204 18.632 -9.568 -3.379 1.00 5.45 N ATOM 1842 CA MET B 204 17.738 -10.192 -2.407 1.00 5.69 C ATOM 1843 C MET B 204 16.991 -9.142 -1.588 1.00 5.11 C ATOM 1844 O MET B 204 15.831 -9.333 -1.231 1.00 5.36 O ATOM 1845 CB MET B 204 18.522 -11.122 -1.472 1.00 6.02 C ATOM 1846 CG MET B 204 19.617 -10.420 -0.684 1.00 5.50 C ATOM 1847 SD MET B 204 20.464 -11.517 0.466 1.00 6.01 S ATOM 1848 CE MET B 204 21.223 -12.678 -0.667 1.00 6.67 C ATOM 0 H MET B 204 19.619 -9.783 -3.240 1.00 5.45 H new ATOM 0 HA MET B 204 17.006 -10.779 -2.962 1.00 5.69 H new ATOM 0 HB2 MET B 204 17.828 -11.589 -0.774 1.00 6.02 H new ATOM 0 HB3 MET B 204 18.968 -11.923 -2.062 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.344 -9.998 -1.378 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.183 -9.587 -0.131 1.00 5.50 H new ATOM 0 HE1 MET B 204 22.024 -13.214 -0.157 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.474 -13.390 -1.015 1.00 6.67 H new ATOM 0 HE3 MET B 204 21.634 -12.138 -1.520 1.00 6.67 H new ATOM 1858 N THR B 205 17.660 -8.037 -1.303 1.00 4.40 N ATOM 1859 CA THR B 205 17.070 -6.968 -0.517 1.00 3.86 C ATOM 1860 C THR B 205 17.192 -5.629 -1.232 1.00 3.22 C ATOM 1861 O THR B 205 17.341 -4.593 -0.595 1.00 2.61 O ATOM 1862 CB THR B 205 17.756 -6.877 0.857 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.063 -7.477 0.788 1.00 3.95 O ATOM 1864 CG2 THR B 205 16.923 -7.566 1.926 1.00 4.16 C ATOM 0 H THR B 205 18.617 -7.857 -1.606 1.00 4.40 H new ATOM 0 HA THR B 205 16.013 -7.197 -0.384 1.00 3.86 H new ATOM 0 HB THR B 205 17.853 -5.825 1.126 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.498 -7.416 1.664 1.00 3.95 H new ATOM 0 HG21 THR B 205 17.429 -7.488 2.888 1.00 4.16 H new ATOM 0 HG22 THR B 205 15.946 -7.088 1.990 1.00 4.16 H new ATOM 0 HG23 THR B 205 16.796 -8.617 1.667 1.00 4.16 H new ATOM 1872 N ASN B 206 17.107 -5.654 -2.558 1.00 3.55 N ATOM 1873 CA ASN B 206 17.222 -4.431 -3.348 1.00 3.31 C ATOM 1874 C ASN B 206 16.086 -3.467 -3.026 1.00 3.04 C ATOM 1875 O ASN B 206 16.271 -2.251 -3.041 1.00 2.62 O ATOM 1876 CB ASN B 206 17.238 -4.749 -4.843 1.00 4.07 C ATOM 1877 CG ASN B 206 17.509 -3.521 -5.695 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.581 -2.870 -6.185 1.00 4.40 O ATOM 1879 ND2 ASN B 206 18.779 -3.191 -5.876 1.00 4.21 N ATOM 0 H ASN B 206 16.960 -6.501 -3.106 1.00 3.55 H new ATOM 0 HA ASN B 206 18.165 -3.952 -3.086 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.000 -5.502 -5.043 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.280 -5.182 -5.130 1.00 4.07 H new ATOM 0 HD21 ASN B 206 19.019 -2.373 -6.437 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.517 -3.754 -5.454 1.00 4.21 H new ATOM 1886 N SER B 207 14.911 -4.023 -2.750 1.00 3.47 N ATOM 1887 CA SER B 207 13.733 -3.237 -2.405 1.00 3.42 C ATOM 1888 C SER B 207 12.691 -4.124 -1.737 1.00 3.82 C ATOM 1889 O SER B 207 11.487 -3.915 -1.896 1.00 4.01 O ATOM 1890 CB SER B 207 13.128 -2.584 -3.652 1.00 3.85 C ATOM 1891 OG SER B 207 14.002 -1.611 -4.204 1.00 3.99 O ATOM 0 H SER B 207 14.749 -5.030 -2.759 1.00 3.47 H new ATOM 0 HA SER B 207 14.039 -2.452 -1.714 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.916 -3.349 -4.398 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.177 -2.117 -3.395 1.00 3.85 H new ATOM 0 HG SER B 207 14.787 -1.510 -3.626 1.00 3.99 H new ATOM 1897 N HIS B 208 13.158 -5.115 -0.990 1.00 4.12 N ATOM 1898 CA HIS B 208 12.266 -6.044 -0.312 1.00 4.71 C ATOM 1899 C HIS B 208 12.788 -6.357 1.079 1.00 4.82 C ATOM 1900 O HIS B 208 11.966 -6.434 2.021 1.00 5.20 O ATOM 1901 CB HIS B 208 12.132 -7.337 -1.114 1.00 5.42 C ATOM 1902 CG HIS B 208 10.938 -8.164 -0.743 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.427 -8.234 0.535 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.144 -8.952 -1.503 1.00 6.75 C ATOM 1905 CE1 HIS B 208 9.374 -9.032 0.545 1.00 6.95 C ATOM 1906 NE2 HIS B 208 9.184 -9.480 -0.682 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.009 -6.525 1.220 1.00 4.71 O ATOM 0 H HIS B 208 14.150 -5.296 -0.838 1.00 4.12 H new ATOM 0 HA HIS B 208 11.285 -5.576 -0.228 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.075 -7.091 -2.174 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.033 -7.935 -0.974 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.803 -7.745 1.347 1.00 6.30 H new ATOM 0 HD2 HIS B 208 10.248 -9.132 -2.563 1.00 6.75 H new ATOM 0 HE1 HIS B 208 8.772 -9.276 1.408 1.00 6.95 H new TER 1916 HIS B 208