USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 996 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 308 HIS : no HD1:sc= 0 X(o=1.1,f=1.1) USER MOD Set 1.2: B 312 SER OG : rot 89:sc= 1.12 USER MOD Set 2.1: A 94 LYS NZ :NH3+ -170:sc= 1.12 (180deg=0) USER MOD Set 2.2: B 304 THR OG1 : rot 29:sc= 0.817 USER MOD Set 3.1: A 96 HIS : no HD1:sc= -0.175 X(o=0.31,f=0.049) USER MOD Set 3.2: A 100 TYR OH : rot 4:sc= 0.484 USER MOD Set 4.1: A 73 HIS : no HD1:sc= 0 X(o=0.0041,f=0.0041) USER MOD Set 4.2: A 92 SER OG : rot 32:sc= 0.00406 USER MOD Set 5.1: A 24 GLN : amide:sc= 0.646 K(o=1.9,f=-9.8!) USER MOD Set 5.2: A 45 LYS NZ :NH3+ 162:sc= 1.23 (180deg=0) USER MOD Set 6.1: A 22 SER OG : rot 118:sc= 0.0197 USER MOD Set 6.2: A 49 THR OG1 : rot -74:sc= 0.812 USER MOD Single : A 3 ASN : amide:sc= -0.307 K(o=-0.31,f=-3.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0363 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -40:sc= 0.837 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0.763 (180deg=-0.0874) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.07) USER MOD Single : A 40 SER OG : rot 74:sc= 1.24 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 48 TYR OH : rot 120:sc= -0.0237 USER MOD Single : A 50 MET CE :methyl -109:sc= -1.44 (180deg=-3.5!) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= 2.3 (180deg=1.58) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.02 X(o=0.02,f=-0.41) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 158:sc= -0.232 (180deg=-0.941) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= 1.28 (180deg=0.651) USER MOD Single : A 71 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.69) USER MOD Single : A 72 GLN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 76 TYR OH : rot 54:sc= 1.22 USER MOD Single : A 77 CYS SG : rot 127:sc= -5.92! USER MOD Single : A 78 SER OG : rot -39:sc= 0.35 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.114 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.16) USER MOD Single : A 101 THR OG1 : rot 11:sc= -0.151 USER MOD Single : A 102 MET CE :methyl 173:sc= -2.95! (180deg=-2.97!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4.9!) USER MOD Single : B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : B 311 SER OG : rot 115:sc= 0.911 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 7.353 -0.355 22.248 1.00 1.00 N ATOM 2 CA ASN A 3 6.071 -0.320 21.542 1.00 64.21 C ATOM 3 C ASN A 3 6.318 -0.271 20.036 1.00 1.42 C ATOM 4 O ASN A 3 6.113 -1.264 19.332 1.00 73.22 O ATOM 5 CB ASN A 3 5.224 0.890 22.021 1.00 71.21 C ATOM 6 CG ASN A 3 3.805 0.947 21.447 1.00 24.41 C ATOM 7 OD1 ASN A 3 3.536 0.521 20.331 1.00 11.41 O ATOM 8 ND2 ASN A 3 2.886 1.460 22.221 1.00 41.45 N ATOM 0 HA ASN A 3 5.506 -1.225 21.767 1.00 64.21 H new ATOM 0 HB2 ASN A 3 5.160 0.863 23.109 1.00 71.21 H new ATOM 0 HB3 ASN A 3 5.746 1.809 21.755 1.00 71.21 H new ATOM 0 HD21 ASN A 3 1.919 1.512 21.900 1.00 41.45 H new ATOM 0 HD22 ASN A 3 3.135 1.808 23.147 1.00 41.45 H new ATOM 17 N THR A 4 6.774 0.854 19.541 1.00 21.23 N ATOM 18 CA THR A 4 7.064 0.995 18.138 1.00 20.42 C ATOM 19 C THR A 4 8.555 0.813 17.875 1.00 62.42 C ATOM 20 O THR A 4 8.962 0.388 16.792 1.00 2.41 O ATOM 21 CB THR A 4 6.573 2.351 17.640 1.00 43.05 C ATOM 22 OG1 THR A 4 6.919 3.353 18.613 1.00 52.05 O ATOM 23 CG2 THR A 4 5.067 2.337 17.440 1.00 0.45 C ATOM 0 H THR A 4 6.953 1.691 20.096 1.00 21.23 H new ATOM 0 HA THR A 4 6.537 0.216 17.586 1.00 20.42 H new ATOM 0 HB THR A 4 7.045 2.573 16.683 1.00 43.05 H new ATOM 0 HG1 THR A 4 6.610 4.230 18.303 1.00 52.05 H new ATOM 0 HG21 THR A 4 4.738 3.314 17.085 1.00 0.45 H new ATOM 0 HG22 THR A 4 4.805 1.576 16.705 1.00 0.45 H new ATOM 0 HG23 THR A 4 4.576 2.111 18.387 1.00 0.45 H new ATOM 31 N ASN A 5 9.357 1.123 18.874 1.00 20.55 N ATOM 32 CA ASN A 5 10.787 0.920 18.792 1.00 31.42 C ATOM 33 C ASN A 5 11.081 -0.505 19.147 1.00 64.24 C ATOM 34 O ASN A 5 10.396 -1.093 19.985 1.00 43.23 O ATOM 35 CB ASN A 5 11.549 1.855 19.742 1.00 31.43 C ATOM 36 CG ASN A 5 11.434 3.318 19.375 1.00 2.30 C ATOM 37 OD1 ASN A 5 11.311 3.672 18.204 1.00 54.43 O ATOM 38 ND2 ASN A 5 11.463 4.174 20.358 1.00 40.12 N ATOM 0 H ASN A 5 9.038 1.519 19.758 1.00 20.55 H new ATOM 0 HA ASN A 5 11.116 1.145 17.777 1.00 31.42 H new ATOM 0 HB2 ASN A 5 11.174 1.713 20.756 1.00 31.43 H new ATOM 0 HB3 ASN A 5 12.602 1.573 19.749 1.00 31.43 H new ATOM 0 HD21 ASN A 5 11.382 5.173 20.167 1.00 40.12 H new ATOM 0 HD22 ASN A 5 11.566 3.845 21.318 1.00 40.12 H new ATOM 45 N MET A 6 12.058 -1.072 18.516 1.00 50.32 N ATOM 46 CA MET A 6 12.420 -2.442 18.765 1.00 55.35 C ATOM 47 C MET A 6 13.732 -2.521 19.491 1.00 55.10 C ATOM 48 O MET A 6 14.608 -1.668 19.320 1.00 33.22 O ATOM 49 CB MET A 6 12.504 -3.251 17.471 1.00 43.32 C ATOM 50 CG MET A 6 11.178 -3.510 16.785 1.00 31.30 C ATOM 51 SD MET A 6 11.386 -4.455 15.258 1.00 50.44 S ATOM 52 CE MET A 6 9.678 -4.689 14.779 1.00 54.43 C ATOM 0 H MET A 6 12.631 -0.605 17.813 1.00 50.32 H new ATOM 0 HA MET A 6 11.635 -2.872 19.387 1.00 55.35 H new ATOM 0 HB2 MET A 6 13.159 -2.726 16.775 1.00 43.32 H new ATOM 0 HB3 MET A 6 12.975 -4.209 17.690 1.00 43.32 H new ATOM 0 HG2 MET A 6 10.519 -4.053 17.462 1.00 31.30 H new ATOM 0 HG3 MET A 6 10.693 -2.560 16.561 1.00 31.30 H new ATOM 0 HE1 MET A 6 9.635 -5.258 13.850 1.00 54.43 H new ATOM 0 HE2 MET A 6 9.152 -5.234 15.563 1.00 54.43 H new ATOM 0 HE3 MET A 6 9.205 -3.718 14.632 1.00 54.43 H new ATOM 62 N SER A 7 13.864 -3.508 20.307 1.00 73.11 N ATOM 63 CA SER A 7 15.071 -3.768 21.020 1.00 53.24 C ATOM 64 C SER A 7 15.266 -5.261 21.093 1.00 5.33 C ATOM 65 O SER A 7 14.596 -5.959 21.862 1.00 12.05 O ATOM 66 CB SER A 7 15.043 -3.108 22.393 1.00 51.30 C ATOM 67 OG SER A 7 14.916 -1.694 22.232 1.00 14.32 O ATOM 0 H SER A 7 13.118 -4.175 20.504 1.00 73.11 H new ATOM 0 HA SER A 7 15.924 -3.333 20.499 1.00 53.24 H new ATOM 0 HB2 SER A 7 14.210 -3.496 22.979 1.00 51.30 H new ATOM 0 HB3 SER A 7 15.955 -3.343 22.941 1.00 51.30 H new ATOM 0 HG SER A 7 14.896 -1.265 23.113 1.00 14.32 H new ATOM 73 N VAL A 8 16.123 -5.746 20.231 1.00 21.31 N ATOM 74 CA VAL A 8 16.368 -7.156 20.047 1.00 5.42 C ATOM 75 C VAL A 8 17.872 -7.376 19.908 1.00 40.44 C ATOM 76 O VAL A 8 18.612 -6.409 19.682 1.00 42.14 O ATOM 77 CB VAL A 8 15.645 -7.680 18.751 1.00 10.22 C ATOM 78 CG1 VAL A 8 14.138 -7.530 18.869 1.00 74.14 C ATOM 79 CG2 VAL A 8 16.146 -6.954 17.502 1.00 45.33 C ATOM 0 H VAL A 8 16.686 -5.155 19.620 1.00 21.31 H new ATOM 0 HA VAL A 8 15.979 -7.702 20.906 1.00 5.42 H new ATOM 0 HB VAL A 8 15.884 -8.739 18.653 1.00 10.22 H new ATOM 0 HG11 VAL A 8 13.663 -7.900 17.960 1.00 74.14 H new ATOM 0 HG12 VAL A 8 13.781 -8.104 19.724 1.00 74.14 H new ATOM 0 HG13 VAL A 8 13.887 -6.478 19.008 1.00 74.14 H new ATOM 0 HG21 VAL A 8 15.627 -7.339 16.624 1.00 45.33 H new ATOM 0 HG22 VAL A 8 15.951 -5.886 17.599 1.00 45.33 H new ATOM 0 HG23 VAL A 8 17.218 -7.119 17.391 1.00 45.33 H new ATOM 89 N PRO A 9 18.371 -8.602 20.092 1.00 74.40 N ATOM 90 CA PRO A 9 19.780 -8.890 19.872 1.00 52.31 C ATOM 91 C PRO A 9 20.123 -8.712 18.390 1.00 2.24 C ATOM 92 O PRO A 9 19.456 -9.285 17.510 1.00 32.11 O ATOM 93 CB PRO A 9 19.939 -10.358 20.302 1.00 13.22 C ATOM 94 CG PRO A 9 18.561 -10.926 20.299 1.00 22.03 C ATOM 95 CD PRO A 9 17.623 -9.785 20.553 1.00 41.32 C ATOM 0 HA PRO A 9 20.444 -8.227 20.428 1.00 52.31 H new ATOM 0 HB2 PRO A 9 20.588 -10.900 19.614 1.00 13.22 H new ATOM 0 HB3 PRO A 9 20.391 -10.430 21.291 1.00 13.22 H new ATOM 0 HG2 PRO A 9 18.341 -11.402 19.344 1.00 22.03 H new ATOM 0 HG3 PRO A 9 18.456 -11.691 21.068 1.00 22.03 H new ATOM 0 HD2 PRO A 9 16.689 -9.906 20.004 1.00 41.32 H new ATOM 0 HD3 PRO A 9 17.365 -9.708 21.609 1.00 41.32 H new ATOM 103 N THR A 10 21.128 -7.921 18.107 1.00 55.24 N ATOM 104 CA THR A 10 21.504 -7.636 16.742 1.00 33.05 C ATOM 105 C THR A 10 22.215 -8.848 16.135 1.00 33.12 C ATOM 106 O THR A 10 22.139 -9.102 14.930 1.00 40.24 O ATOM 107 CB THR A 10 22.402 -6.373 16.674 1.00 53.43 C ATOM 108 OG1 THR A 10 21.722 -5.273 17.327 1.00 13.43 O ATOM 109 CG2 THR A 10 22.699 -5.980 15.231 1.00 1.43 C ATOM 0 H THR A 10 21.706 -7.459 18.809 1.00 55.24 H new ATOM 0 HA THR A 10 20.604 -7.435 16.162 1.00 33.05 H new ATOM 0 HB THR A 10 23.345 -6.597 17.173 1.00 53.43 H new ATOM 0 HG1 THR A 10 22.285 -4.472 17.289 1.00 13.43 H new ATOM 0 HG21 THR A 10 23.330 -5.091 15.218 1.00 1.43 H new ATOM 0 HG22 THR A 10 23.215 -6.799 14.730 1.00 1.43 H new ATOM 0 HG23 THR A 10 21.764 -5.768 14.712 1.00 1.43 H new ATOM 117 N ASP A 11 22.849 -9.620 16.982 1.00 22.24 N ATOM 118 CA ASP A 11 23.541 -10.795 16.533 1.00 52.52 C ATOM 119 C ASP A 11 22.640 -11.984 16.669 1.00 21.43 C ATOM 120 O ASP A 11 21.953 -12.142 17.700 1.00 1.43 O ATOM 121 CB ASP A 11 24.825 -11.070 17.337 1.00 60.33 C ATOM 122 CG ASP A 11 25.848 -9.973 17.266 1.00 32.54 C ATOM 123 OD1 ASP A 11 26.527 -9.828 16.227 1.00 72.40 O ATOM 124 OD2 ASP A 11 26.020 -9.242 18.268 1.00 11.52 O ATOM 0 H ASP A 11 22.898 -9.453 17.987 1.00 22.24 H new ATOM 0 HA ASP A 11 23.821 -10.622 15.494 1.00 52.52 H new ATOM 0 HB2 ASP A 11 24.557 -11.234 18.381 1.00 60.33 H new ATOM 0 HB3 ASP A 11 25.275 -11.994 16.975 1.00 60.33 H new ATOM 129 N GLY A 12 22.591 -12.789 15.647 1.00 24.21 N ATOM 130 CA GLY A 12 21.883 -14.038 15.738 1.00 13.41 C ATOM 131 C GLY A 12 22.804 -15.039 16.369 1.00 44.33 C ATOM 132 O GLY A 12 22.468 -15.702 17.360 1.00 44.55 O ATOM 0 H GLY A 12 23.030 -12.607 14.744 1.00 24.21 H new ATOM 0 HA2 GLY A 12 20.978 -13.922 16.334 1.00 13.41 H new ATOM 0 HA3 GLY A 12 21.572 -14.374 14.749 1.00 13.41 H new ATOM 136 N ALA A 13 23.989 -15.088 15.822 1.00 25.35 N ATOM 137 CA ALA A 13 25.069 -15.894 16.306 1.00 53.32 C ATOM 138 C ALA A 13 26.327 -15.066 16.150 1.00 12.11 C ATOM 139 O ALA A 13 26.386 -14.206 15.259 1.00 52.51 O ATOM 140 CB ALA A 13 25.173 -17.186 15.502 1.00 34.21 C ATOM 0 H ALA A 13 24.234 -14.545 14.994 1.00 25.35 H new ATOM 0 HA ALA A 13 24.913 -16.177 17.347 1.00 53.32 H new ATOM 0 HB1 ALA A 13 25.999 -17.786 15.883 1.00 34.21 H new ATOM 0 HB2 ALA A 13 24.243 -17.748 15.594 1.00 34.21 H new ATOM 0 HB3 ALA A 13 25.351 -16.949 14.453 1.00 34.21 H new ATOM 146 N VAL A 14 27.297 -15.266 16.997 1.00 54.25 N ATOM 147 CA VAL A 14 28.516 -14.497 16.899 1.00 44.45 C ATOM 148 C VAL A 14 29.510 -15.143 15.939 1.00 64.41 C ATOM 149 O VAL A 14 29.926 -16.288 16.117 1.00 53.45 O ATOM 150 CB VAL A 14 29.170 -14.183 18.286 1.00 44.03 C ATOM 151 CG1 VAL A 14 28.263 -13.275 19.099 1.00 13.21 C ATOM 152 CG2 VAL A 14 29.473 -15.454 19.077 1.00 42.41 C ATOM 0 H VAL A 14 27.274 -15.946 17.757 1.00 54.25 H new ATOM 0 HA VAL A 14 28.228 -13.531 16.484 1.00 44.45 H new ATOM 0 HB VAL A 14 30.117 -13.679 18.092 1.00 44.03 H new ATOM 0 HG11 VAL A 14 28.728 -13.063 20.062 1.00 13.21 H new ATOM 0 HG12 VAL A 14 28.105 -12.341 18.559 1.00 13.21 H new ATOM 0 HG13 VAL A 14 27.304 -13.768 19.260 1.00 13.21 H new ATOM 0 HG21 VAL A 14 29.926 -15.189 20.032 1.00 42.41 H new ATOM 0 HG22 VAL A 14 28.547 -16.002 19.254 1.00 42.41 H new ATOM 0 HG23 VAL A 14 30.162 -16.080 18.510 1.00 42.41 H new ATOM 162 N THR A 15 29.858 -14.419 14.910 1.00 62.35 N ATOM 163 CA THR A 15 30.792 -14.891 13.914 1.00 70.21 C ATOM 164 C THR A 15 31.973 -13.917 13.848 1.00 24.34 C ATOM 165 O THR A 15 32.658 -13.790 12.821 1.00 4.22 O ATOM 166 CB THR A 15 30.089 -15.058 12.514 1.00 71.00 C ATOM 167 OG1 THR A 15 31.028 -15.489 11.496 1.00 53.52 O ATOM 168 CG2 THR A 15 29.405 -13.770 12.075 1.00 33.25 C ATOM 0 H THR A 15 29.502 -13.479 14.735 1.00 62.35 H new ATOM 0 HA THR A 15 31.163 -15.877 14.193 1.00 70.21 H new ATOM 0 HB THR A 15 29.329 -15.830 12.634 1.00 71.00 H new ATOM 0 HG1 THR A 15 31.882 -15.025 11.621 1.00 53.52 H new ATOM 0 HG21 THR A 15 28.931 -13.922 11.105 1.00 33.25 H new ATOM 0 HG22 THR A 15 28.649 -13.491 12.809 1.00 33.25 H new ATOM 0 HG23 THR A 15 30.145 -12.974 11.996 1.00 33.25 H new ATOM 176 N THR A 16 32.222 -13.270 14.972 1.00 34.01 N ATOM 177 CA THR A 16 33.282 -12.313 15.115 1.00 62.33 C ATOM 178 C THR A 16 34.647 -12.977 14.862 1.00 62.33 C ATOM 179 O THR A 16 35.443 -12.496 14.052 1.00 4.14 O ATOM 180 CB THR A 16 33.260 -11.720 16.540 1.00 32.31 C ATOM 181 OG1 THR A 16 31.934 -11.232 16.840 1.00 45.44 O ATOM 182 CG2 THR A 16 34.257 -10.576 16.671 1.00 52.43 C ATOM 0 H THR A 16 31.676 -13.404 15.823 1.00 34.01 H new ATOM 0 HA THR A 16 33.133 -11.520 14.383 1.00 62.33 H new ATOM 0 HB THR A 16 33.538 -12.506 17.242 1.00 32.31 H new ATOM 0 HG1 THR A 16 31.920 -10.857 17.745 1.00 45.44 H new ATOM 0 HG21 THR A 16 34.221 -10.176 17.684 1.00 52.43 H new ATOM 0 HG22 THR A 16 35.262 -10.943 16.461 1.00 52.43 H new ATOM 0 HG23 THR A 16 34.003 -9.789 15.961 1.00 52.43 H new ATOM 190 N SER A 17 34.872 -14.096 15.495 1.00 53.04 N ATOM 191 CA SER A 17 36.131 -14.773 15.414 1.00 52.10 C ATOM 192 C SER A 17 36.227 -15.666 14.178 1.00 61.15 C ATOM 193 O SER A 17 35.656 -16.754 14.125 1.00 12.35 O ATOM 194 CB SER A 17 36.364 -15.557 16.695 1.00 13.42 C ATOM 195 OG SER A 17 36.350 -14.664 17.805 1.00 72.44 O ATOM 0 H SER A 17 34.182 -14.563 16.083 1.00 53.04 H new ATOM 0 HA SER A 17 36.919 -14.028 15.307 1.00 52.10 H new ATOM 0 HB2 SER A 17 35.591 -16.316 16.815 1.00 13.42 H new ATOM 0 HB3 SER A 17 37.320 -16.079 16.646 1.00 13.42 H new ATOM 0 HG SER A 17 36.498 -15.168 18.632 1.00 72.44 H new ATOM 201 N GLN A 18 36.921 -15.175 13.185 1.00 32.21 N ATOM 202 CA GLN A 18 37.173 -15.904 11.975 1.00 74.22 C ATOM 203 C GLN A 18 38.666 -15.998 11.807 1.00 44.22 C ATOM 204 O GLN A 18 39.331 -14.998 11.528 1.00 45.43 O ATOM 205 CB GLN A 18 36.530 -15.221 10.757 1.00 3.15 C ATOM 206 CG GLN A 18 35.012 -15.133 10.820 1.00 61.15 C ATOM 207 CD GLN A 18 34.405 -14.494 9.587 1.00 34.22 C ATOM 208 OE1 GLN A 18 34.221 -13.280 9.522 1.00 45.24 O ATOM 209 NE2 GLN A 18 34.081 -15.296 8.611 1.00 0.13 N ATOM 0 H GLN A 18 37.333 -14.242 13.197 1.00 32.21 H new ATOM 0 HA GLN A 18 36.729 -16.897 12.043 1.00 74.22 H new ATOM 0 HB2 GLN A 18 36.937 -14.214 10.662 1.00 3.15 H new ATOM 0 HB3 GLN A 18 36.814 -15.766 9.857 1.00 3.15 H new ATOM 0 HG2 GLN A 18 34.600 -16.135 10.944 1.00 61.15 H new ATOM 0 HG3 GLN A 18 34.723 -14.559 11.700 1.00 61.15 H new ATOM 0 HE21 GLN A 18 34.248 -16.299 8.698 1.00 0.13 H new ATOM 0 HE22 GLN A 18 33.661 -14.921 7.761 1.00 0.13 H new ATOM 218 N ILE A 19 39.195 -17.165 12.030 1.00 44.01 N ATOM 219 CA ILE A 19 40.615 -17.385 11.958 1.00 23.43 C ATOM 220 C ILE A 19 41.027 -17.486 10.493 1.00 41.50 C ATOM 221 O ILE A 19 40.375 -18.194 9.715 1.00 14.42 O ATOM 222 CB ILE A 19 41.015 -18.690 12.713 1.00 12.45 C ATOM 223 CG1 ILE A 19 40.537 -18.626 14.177 1.00 22.44 C ATOM 224 CG2 ILE A 19 42.530 -18.922 12.645 1.00 51.15 C ATOM 225 CD1 ILE A 19 40.795 -19.891 14.976 1.00 62.31 C ATOM 0 H ILE A 19 38.654 -17.996 12.268 1.00 44.01 H new ATOM 0 HA ILE A 19 41.128 -16.549 12.433 1.00 23.43 H new ATOM 0 HB ILE A 19 40.527 -19.533 12.224 1.00 12.45 H new ATOM 0 HG12 ILE A 19 41.032 -17.791 14.672 1.00 22.44 H new ATOM 0 HG13 ILE A 19 39.468 -18.415 14.189 1.00 22.44 H new ATOM 0 HG21 ILE A 19 42.782 -19.838 13.179 1.00 51.15 H new ATOM 0 HG22 ILE A 19 42.838 -19.013 11.603 1.00 51.15 H new ATOM 0 HG23 ILE A 19 43.048 -18.080 13.104 1.00 51.15 H new ATOM 0 HD11 ILE A 19 40.428 -19.760 15.994 1.00 62.31 H new ATOM 0 HD12 ILE A 19 40.277 -20.728 14.509 1.00 62.31 H new ATOM 0 HD13 ILE A 19 41.866 -20.094 15.000 1.00 62.31 H new ATOM 237 N PRO A 20 42.054 -16.738 10.076 1.00 42.12 N ATOM 238 CA PRO A 20 42.559 -16.814 8.727 1.00 24.14 C ATOM 239 C PRO A 20 43.257 -18.139 8.485 1.00 41.43 C ATOM 240 O PRO A 20 44.310 -18.442 9.079 1.00 54.35 O ATOM 241 CB PRO A 20 43.538 -15.656 8.614 1.00 53.30 C ATOM 242 CG PRO A 20 43.932 -15.335 10.013 1.00 1.42 C ATOM 243 CD PRO A 20 42.783 -15.751 10.888 1.00 14.14 C ATOM 0 HA PRO A 20 41.762 -16.751 7.986 1.00 24.14 H new ATOM 0 HB2 PRO A 20 44.406 -15.932 8.015 1.00 53.30 H new ATOM 0 HB3 PRO A 20 43.076 -14.796 8.129 1.00 53.30 H new ATOM 0 HG2 PRO A 20 44.843 -15.866 10.291 1.00 1.42 H new ATOM 0 HG3 PRO A 20 44.137 -14.270 10.123 1.00 1.42 H new ATOM 0 HD2 PRO A 20 43.132 -16.185 11.825 1.00 14.14 H new ATOM 0 HD3 PRO A 20 42.150 -14.902 11.146 1.00 14.14 H new ATOM 251 N ALA A 21 42.655 -18.919 7.660 1.00 65.43 N ATOM 252 CA ALA A 21 43.135 -20.222 7.307 1.00 14.44 C ATOM 253 C ALA A 21 42.881 -20.422 5.838 1.00 3.11 C ATOM 254 O ALA A 21 42.148 -19.624 5.225 1.00 3.25 O ATOM 255 CB ALA A 21 42.409 -21.286 8.125 1.00 30.13 C ATOM 0 H ALA A 21 41.785 -18.666 7.192 1.00 65.43 H new ATOM 0 HA ALA A 21 44.201 -20.308 7.518 1.00 14.44 H new ATOM 0 HB1 ALA A 21 42.781 -22.273 7.850 1.00 30.13 H new ATOM 0 HB2 ALA A 21 42.588 -21.114 9.186 1.00 30.13 H new ATOM 0 HB3 ALA A 21 41.339 -21.232 7.924 1.00 30.13 H new ATOM 261 N SER A 22 43.452 -21.433 5.258 1.00 30.10 N ATOM 262 CA SER A 22 43.217 -21.678 3.882 1.00 45.52 C ATOM 263 C SER A 22 42.170 -22.735 3.725 1.00 75.41 C ATOM 264 O SER A 22 42.281 -23.840 4.262 1.00 42.35 O ATOM 265 CB SER A 22 44.484 -22.061 3.131 1.00 50.13 C ATOM 266 OG SER A 22 44.227 -22.237 1.738 1.00 10.35 O ATOM 0 H SER A 22 44.079 -22.093 5.718 1.00 30.10 H new ATOM 0 HA SER A 22 42.863 -20.747 3.440 1.00 45.52 H new ATOM 0 HB2 SER A 22 45.239 -21.287 3.269 1.00 50.13 H new ATOM 0 HB3 SER A 22 44.892 -22.982 3.547 1.00 50.13 H new ATOM 0 HG SER A 22 44.743 -21.580 1.225 1.00 10.35 H new ATOM 272 N GLU A 23 41.133 -22.366 3.049 1.00 72.13 N ATOM 273 CA GLU A 23 40.077 -23.288 2.686 1.00 51.30 C ATOM 274 C GLU A 23 40.146 -23.499 1.195 1.00 35.14 C ATOM 275 O GLU A 23 39.309 -24.182 0.603 1.00 1.53 O ATOM 276 CB GLU A 23 38.699 -22.757 3.074 1.00 40.41 C ATOM 277 CG GLU A 23 38.489 -22.573 4.561 1.00 65.24 C ATOM 278 CD GLU A 23 37.065 -22.216 4.882 1.00 41.23 C ATOM 279 OE1 GLU A 23 36.217 -23.119 4.926 1.00 12.14 O ATOM 280 OE2 GLU A 23 36.758 -21.028 5.084 1.00 64.50 O ATOM 0 H GLU A 23 40.982 -21.411 2.724 1.00 72.13 H new ATOM 0 HA GLU A 23 40.219 -24.226 3.224 1.00 51.30 H new ATOM 0 HB2 GLU A 23 38.540 -21.800 2.577 1.00 40.41 H new ATOM 0 HB3 GLU A 23 37.941 -23.442 2.696 1.00 40.41 H new ATOM 0 HG2 GLU A 23 38.761 -23.491 5.083 1.00 65.24 H new ATOM 0 HG3 GLU A 23 39.152 -21.789 4.928 1.00 65.24 H new ATOM 287 N GLN A 24 41.178 -22.904 0.616 1.00 53.33 N ATOM 288 CA GLN A 24 41.459 -22.924 -0.791 1.00 25.11 C ATOM 289 C GLN A 24 40.330 -22.399 -1.648 1.00 21.45 C ATOM 290 O GLN A 24 39.550 -23.164 -2.228 1.00 14.43 O ATOM 291 CB GLN A 24 41.999 -24.262 -1.263 1.00 75.42 C ATOM 292 CG GLN A 24 43.340 -24.587 -0.634 1.00 1.02 C ATOM 293 CD GLN A 24 44.030 -25.762 -1.260 1.00 43.30 C ATOM 294 OE1 GLN A 24 43.400 -26.694 -1.746 1.00 22.24 O ATOM 295 NE2 GLN A 24 45.323 -25.708 -1.289 1.00 2.23 N ATOM 0 H GLN A 24 41.867 -22.373 1.148 1.00 53.33 H new ATOM 0 HA GLN A 24 42.268 -22.207 -0.932 1.00 25.11 H new ATOM 0 HB2 GLN A 24 41.284 -25.048 -1.019 1.00 75.42 H new ATOM 0 HB3 GLN A 24 42.101 -24.249 -2.348 1.00 75.42 H new ATOM 0 HG2 GLN A 24 43.988 -23.714 -0.709 1.00 1.02 H new ATOM 0 HG3 GLN A 24 43.195 -24.785 0.428 1.00 1.02 H new ATOM 0 HE21 GLN A 24 45.810 -24.914 -0.873 1.00 2.23 H new ATOM 0 HE22 GLN A 24 45.855 -26.459 -1.728 1.00 2.23 H new ATOM 304 N GLU A 25 40.224 -21.090 -1.674 1.00 20.02 N ATOM 305 CA GLU A 25 39.228 -20.405 -2.460 1.00 11.33 C ATOM 306 C GLU A 25 39.759 -20.211 -3.871 1.00 22.14 C ATOM 307 O GLU A 25 39.309 -20.861 -4.816 1.00 34.32 O ATOM 308 CB GLU A 25 38.896 -19.044 -1.844 1.00 63.05 C ATOM 309 CG GLU A 25 38.420 -19.100 -0.403 1.00 74.12 C ATOM 310 CD GLU A 25 38.183 -17.724 0.161 1.00 42.43 C ATOM 311 OE1 GLU A 25 39.157 -17.072 0.615 1.00 53.42 O ATOM 312 OE2 GLU A 25 37.030 -17.255 0.149 1.00 41.50 O ATOM 0 H GLU A 25 40.833 -20.467 -1.144 1.00 20.02 H new ATOM 0 HA GLU A 25 38.318 -21.004 -2.481 1.00 11.33 H new ATOM 0 HB2 GLU A 25 39.782 -18.411 -1.896 1.00 63.05 H new ATOM 0 HB3 GLU A 25 38.126 -18.565 -2.449 1.00 63.05 H new ATOM 0 HG2 GLU A 25 37.499 -19.680 -0.347 1.00 74.12 H new ATOM 0 HG3 GLU A 25 39.161 -19.619 0.205 1.00 74.12 H new ATOM 319 N THR A 26 40.736 -19.346 -4.003 1.00 51.52 N ATOM 320 CA THR A 26 41.341 -19.077 -5.271 1.00 53.31 C ATOM 321 C THR A 26 42.668 -19.824 -5.351 1.00 53.35 C ATOM 322 O THR A 26 43.605 -19.521 -4.610 1.00 30.52 O ATOM 323 CB THR A 26 41.581 -17.571 -5.441 1.00 42.31 C ATOM 324 OG1 THR A 26 40.386 -16.854 -5.052 1.00 20.15 O ATOM 325 CG2 THR A 26 41.909 -17.252 -6.894 1.00 70.41 C ATOM 0 H THR A 26 41.130 -18.812 -3.228 1.00 51.52 H new ATOM 0 HA THR A 26 40.676 -19.411 -6.067 1.00 53.31 H new ATOM 0 HB THR A 26 42.419 -17.269 -4.813 1.00 42.31 H new ATOM 0 HG1 THR A 26 40.534 -15.891 -5.157 1.00 20.15 H new ATOM 0 HG21 THR A 26 42.077 -16.181 -7.002 1.00 70.41 H new ATOM 0 HG22 THR A 26 42.808 -17.792 -7.191 1.00 70.41 H new ATOM 0 HG23 THR A 26 41.077 -17.555 -7.530 1.00 70.41 H new ATOM 333 N LEU A 27 42.737 -20.788 -6.215 1.00 5.11 N ATOM 334 CA LEU A 27 43.911 -21.616 -6.342 1.00 60.50 C ATOM 335 C LEU A 27 44.795 -21.171 -7.470 1.00 75.55 C ATOM 336 O LEU A 27 44.314 -20.696 -8.509 1.00 13.21 O ATOM 337 CB LEU A 27 43.518 -23.080 -6.525 1.00 70.13 C ATOM 338 CG LEU A 27 42.960 -23.773 -5.292 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.482 -25.171 -5.634 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.031 -23.833 -4.229 1.00 40.21 C ATOM 0 H LEU A 27 41.982 -21.029 -6.857 1.00 5.11 H new ATOM 0 HA LEU A 27 44.480 -21.512 -5.418 1.00 60.50 H new ATOM 0 HB2 LEU A 27 42.775 -23.141 -7.320 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.394 -23.632 -6.864 1.00 70.13 H new ATOM 0 HG LEU A 27 42.107 -23.206 -4.919 1.00 24.53 H new ATOM 0 HD11 LEU A 27 42.087 -25.650 -4.738 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.699 -25.113 -6.390 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.316 -25.757 -6.020 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.636 -24.329 -3.342 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.887 -24.392 -4.606 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.344 -22.821 -3.970 1.00 40.21 H new ATOM 352 N VAL A 28 46.073 -21.297 -7.257 1.00 40.25 N ATOM 353 CA VAL A 28 47.046 -21.004 -8.256 1.00 11.42 C ATOM 354 C VAL A 28 47.590 -22.319 -8.766 1.00 51.22 C ATOM 355 O VAL A 28 47.601 -23.324 -8.038 1.00 23.41 O ATOM 356 CB VAL A 28 48.187 -20.073 -7.731 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.605 -18.792 -7.153 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.080 -20.758 -6.707 1.00 61.10 C ATOM 0 H VAL A 28 46.469 -21.611 -6.371 1.00 40.25 H new ATOM 0 HA VAL A 28 46.575 -20.448 -9.066 1.00 11.42 H new ATOM 0 HB VAL A 28 48.815 -19.830 -8.588 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.413 -18.156 -6.792 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.046 -18.265 -7.926 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.938 -19.036 -6.326 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.854 -20.065 -6.378 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.481 -21.067 -5.850 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.546 -21.634 -7.158 1.00 61.10 H new ATOM 368 N ARG A 29 47.965 -22.337 -10.002 1.00 35.24 N ATOM 369 CA ARG A 29 48.445 -23.538 -10.625 1.00 74.24 C ATOM 370 C ARG A 29 49.942 -23.661 -10.389 1.00 40.32 C ATOM 371 O ARG A 29 50.654 -22.655 -10.400 1.00 20.51 O ATOM 372 CB ARG A 29 48.141 -23.516 -12.114 1.00 11.01 C ATOM 373 CG ARG A 29 46.682 -23.237 -12.457 1.00 63.52 C ATOM 374 CD ARG A 29 45.735 -24.261 -11.865 1.00 40.33 C ATOM 375 NE ARG A 29 45.937 -25.612 -12.404 1.00 65.21 N ATOM 376 CZ ARG A 29 45.218 -26.687 -12.039 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.257 -26.573 -11.123 1.00 52.24 N ATOM 378 NH2 ARG A 29 45.457 -27.866 -12.594 1.00 32.15 N ATOM 0 H ARG A 29 47.949 -21.521 -10.614 1.00 35.24 H new ATOM 0 HA ARG A 29 47.941 -24.400 -10.188 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.764 -22.758 -12.588 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.425 -24.476 -12.544 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.411 -22.245 -12.094 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.564 -23.223 -13.541 1.00 63.52 H new ATOM 0 HD2 ARG A 29 45.865 -24.285 -10.783 1.00 40.33 H new ATOM 0 HD3 ARG A 29 44.708 -23.950 -12.056 1.00 40.33 H new ATOM 0 HE ARG A 29 46.671 -25.743 -13.101 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.065 -25.667 -10.696 1.00 52.24 H new ATOM 0 HH12 ARG A 29 43.714 -27.392 -10.849 1.00 52.24 H new ATOM 0 HH21 ARG A 29 46.188 -27.959 -13.300 1.00 32.15 H new ATOM 0 HH22 ARG A 29 44.910 -28.681 -12.316 1.00 32.15 H new ATOM 392 N PRO A 30 50.431 -24.871 -10.156 1.00 1.41 N ATOM 393 CA PRO A 30 51.831 -25.102 -9.840 1.00 43.14 C ATOM 394 C PRO A 30 52.749 -25.226 -11.056 1.00 24.23 C ATOM 395 O PRO A 30 52.307 -25.282 -12.210 1.00 23.12 O ATOM 396 CB PRO A 30 51.781 -26.444 -9.129 1.00 54.02 C ATOM 397 CG PRO A 30 50.691 -27.177 -9.826 1.00 53.23 C ATOM 398 CD PRO A 30 49.657 -26.139 -10.157 1.00 55.33 C ATOM 0 HA PRO A 30 52.242 -24.266 -9.274 1.00 43.14 H new ATOM 0 HB2 PRO A 30 52.731 -26.973 -9.206 1.00 54.02 H new ATOM 0 HB3 PRO A 30 51.567 -26.326 -8.067 1.00 54.02 H new ATOM 0 HG2 PRO A 30 51.060 -27.665 -10.728 1.00 53.23 H new ATOM 0 HG3 PRO A 30 50.274 -27.958 -9.190 1.00 53.23 H new ATOM 0 HD2 PRO A 30 49.195 -26.327 -11.126 1.00 55.33 H new ATOM 0 HD3 PRO A 30 48.855 -26.121 -9.419 1.00 55.33 H new ATOM 406 N LYS A 31 54.024 -25.257 -10.758 1.00 71.41 N ATOM 407 CA LYS A 31 55.093 -25.528 -11.688 1.00 13.12 C ATOM 408 C LYS A 31 56.098 -26.378 -10.935 1.00 60.43 C ATOM 409 O LYS A 31 56.192 -26.241 -9.709 1.00 12.54 O ATOM 410 CB LYS A 31 55.763 -24.234 -12.224 1.00 45.42 C ATOM 411 CG LYS A 31 54.916 -23.455 -13.221 1.00 33.03 C ATOM 412 CD LYS A 31 55.665 -22.257 -13.792 1.00 44.22 C ATOM 413 CE LYS A 31 54.791 -21.503 -14.784 1.00 72.11 C ATOM 414 NZ LYS A 31 55.467 -20.324 -15.373 1.00 53.45 N ATOM 0 H LYS A 31 54.362 -25.085 -9.811 1.00 71.41 H new ATOM 0 HA LYS A 31 54.702 -26.038 -12.569 1.00 13.12 H new ATOM 0 HB2 LYS A 31 55.999 -23.585 -11.381 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.709 -24.498 -12.697 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.614 -24.115 -14.034 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.004 -23.113 -12.733 1.00 33.03 H new ATOM 0 HD2 LYS A 31 55.966 -21.590 -12.984 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.578 -22.593 -14.285 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.492 -22.180 -15.584 1.00 72.11 H new ATOM 0 HE3 LYS A 31 53.879 -21.179 -14.283 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.152 -20.199 -16.356 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.228 -19.475 -14.822 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.497 -20.469 -15.355 1.00 53.45 H new ATOM 428 N PRO A 32 56.873 -27.250 -11.625 1.00 4.31 N ATOM 429 CA PRO A 32 57.821 -28.208 -10.987 1.00 5.12 C ATOM 430 C PRO A 32 58.801 -27.540 -10.017 1.00 74.20 C ATOM 431 O PRO A 32 59.203 -28.135 -9.012 1.00 50.13 O ATOM 432 CB PRO A 32 58.584 -28.803 -12.185 1.00 54.05 C ATOM 433 CG PRO A 32 58.323 -27.850 -13.295 1.00 52.24 C ATOM 434 CD PRO A 32 56.916 -27.389 -13.086 1.00 71.25 C ATOM 0 HA PRO A 32 57.291 -28.942 -10.380 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.650 -28.888 -11.975 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.226 -29.804 -12.427 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.021 -27.013 -13.269 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.440 -28.332 -14.265 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.712 -26.447 -13.595 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.188 -28.113 -13.452 1.00 71.25 H new ATOM 442 N LEU A 33 59.147 -26.306 -10.315 1.00 43.22 N ATOM 443 CA LEU A 33 60.074 -25.527 -9.512 1.00 61.34 C ATOM 444 C LEU A 33 59.481 -25.273 -8.129 1.00 33.42 C ATOM 445 O LEU A 33 60.089 -25.574 -7.096 1.00 21.42 O ATOM 446 CB LEU A 33 60.361 -24.199 -10.215 1.00 61.22 C ATOM 447 CG LEU A 33 60.854 -24.311 -11.661 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.060 -22.942 -12.268 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.132 -25.114 -11.731 1.00 21.44 C ATOM 0 H LEU A 33 58.790 -25.807 -11.130 1.00 43.22 H new ATOM 0 HA LEU A 33 61.006 -26.080 -9.394 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.451 -23.599 -10.205 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.108 -23.655 -9.636 1.00 61.22 H new ATOM 0 HG LEU A 33 60.088 -24.830 -12.237 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.410 -23.048 -13.295 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.117 -22.395 -12.261 1.00 51.51 H new ATOM 0 HD13 LEU A 33 61.802 -22.394 -11.687 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.464 -25.181 -12.767 1.00 21.44 H new ATOM 0 HD22 LEU A 33 62.902 -24.625 -11.134 1.00 21.44 H new ATOM 0 HD23 LEU A 33 61.954 -26.117 -11.342 1.00 21.44 H new ATOM 461 N LEU A 34 58.276 -24.776 -8.112 1.00 3.45 N ATOM 462 CA LEU A 34 57.622 -24.513 -6.863 1.00 64.14 C ATOM 463 C LEU A 34 57.222 -25.805 -6.199 1.00 22.24 C ATOM 464 O LEU A 34 57.364 -25.941 -5.010 1.00 75.12 O ATOM 465 CB LEU A 34 56.452 -23.514 -6.982 1.00 35.35 C ATOM 466 CG LEU A 34 56.840 -22.025 -7.173 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.564 -21.780 -8.485 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.626 -21.120 -7.049 1.00 52.54 C ATOM 0 H LEU A 34 57.731 -24.547 -8.943 1.00 3.45 H new ATOM 0 HA LEU A 34 58.344 -24.013 -6.218 1.00 64.14 H new ATOM 0 HB2 LEU A 34 55.828 -23.816 -7.823 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.839 -23.596 -6.084 1.00 35.35 H new ATOM 0 HG LEU A 34 57.536 -21.778 -6.371 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.814 -20.722 -8.571 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.479 -22.372 -8.512 1.00 72.03 H new ATOM 0 HD13 LEU A 34 56.920 -22.069 -9.315 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.930 -20.082 -7.188 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.893 -21.388 -7.810 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.183 -21.239 -6.060 1.00 52.54 H new ATOM 480 N LEU A 35 56.806 -26.783 -6.998 1.00 65.12 N ATOM 481 CA LEU A 35 56.439 -28.099 -6.485 1.00 5.32 C ATOM 482 C LEU A 35 57.561 -28.753 -5.707 1.00 54.41 C ATOM 483 O LEU A 35 57.318 -29.316 -4.634 1.00 53.44 O ATOM 484 CB LEU A 35 55.982 -29.021 -7.596 1.00 2.42 C ATOM 485 CG LEU A 35 54.642 -28.679 -8.229 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.367 -29.623 -9.366 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.527 -28.772 -7.195 1.00 71.40 C ATOM 0 H LEU A 35 56.714 -26.688 -8.009 1.00 65.12 H new ATOM 0 HA LEU A 35 55.609 -27.932 -5.799 1.00 5.32 H new ATOM 0 HB2 LEU A 35 56.742 -29.023 -8.377 1.00 2.42 H new ATOM 0 HB3 LEU A 35 55.928 -30.036 -7.202 1.00 2.42 H new ATOM 0 HG LEU A 35 54.680 -27.657 -8.607 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.407 -29.377 -9.819 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.155 -29.531 -10.114 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.340 -30.646 -8.991 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.575 -28.524 -7.664 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.483 -29.786 -6.798 1.00 71.40 H new ATOM 0 HD23 LEU A 35 53.725 -28.072 -6.383 1.00 71.40 H new ATOM 499 N LYS A 36 58.795 -28.652 -6.215 1.00 42.34 N ATOM 500 CA LYS A 36 59.921 -29.265 -5.536 1.00 34.14 C ATOM 501 C LYS A 36 60.153 -28.582 -4.190 1.00 62.12 C ATOM 502 O LYS A 36 60.417 -29.249 -3.189 1.00 31.42 O ATOM 503 CB LYS A 36 61.232 -29.252 -6.381 1.00 22.41 C ATOM 504 CG LYS A 36 61.873 -27.883 -6.539 1.00 43.13 C ATOM 505 CD LYS A 36 63.227 -27.934 -7.212 1.00 75.31 C ATOM 506 CE LYS A 36 63.860 -26.544 -7.227 1.00 21.21 C ATOM 507 NZ LYS A 36 65.236 -26.560 -7.747 1.00 23.02 N ATOM 0 H LYS A 36 59.028 -28.160 -7.078 1.00 42.34 H new ATOM 0 HA LYS A 36 59.663 -30.313 -5.383 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.954 -29.925 -5.917 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.014 -29.652 -7.371 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.209 -27.243 -7.120 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.980 -27.423 -5.557 1.00 43.13 H new ATOM 0 HD2 LYS A 36 63.877 -28.632 -6.685 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.121 -28.305 -8.232 1.00 75.31 H new ATOM 0 HE2 LYS A 36 63.251 -25.877 -7.838 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.861 -26.137 -6.216 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.622 -25.594 -7.737 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 65.826 -27.175 -7.150 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.235 -26.922 -8.722 1.00 23.02 H new ATOM 521 N LEU A 37 59.981 -27.259 -4.143 1.00 21.34 N ATOM 522 CA LEU A 37 60.235 -26.555 -2.906 1.00 4.13 C ATOM 523 C LEU A 37 59.088 -26.787 -1.927 1.00 55.22 C ATOM 524 O LEU A 37 59.317 -27.086 -0.760 1.00 44.31 O ATOM 525 CB LEU A 37 60.567 -25.040 -3.138 1.00 20.40 C ATOM 526 CG LEU A 37 59.457 -24.066 -3.601 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.579 -23.600 -2.433 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.061 -22.872 -4.323 1.00 24.22 C ATOM 0 H LEU A 37 59.677 -26.678 -4.924 1.00 21.34 H new ATOM 0 HA LEU A 37 61.136 -26.967 -2.451 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.971 -24.650 -2.204 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.368 -24.993 -3.876 1.00 20.40 H new ATOM 0 HG LEU A 37 58.816 -24.610 -4.294 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.813 -22.918 -2.803 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.102 -24.464 -1.969 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.196 -23.087 -1.696 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.265 -22.198 -4.641 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.736 -22.344 -3.650 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.615 -23.217 -5.196 1.00 24.22 H new ATOM 540 N LEU A 38 57.864 -26.732 -2.447 1.00 2.01 N ATOM 541 CA LEU A 38 56.651 -26.895 -1.659 1.00 62.52 C ATOM 542 C LEU A 38 56.612 -28.243 -0.978 1.00 61.11 C ATOM 543 O LEU A 38 56.459 -28.333 0.238 1.00 21.21 O ATOM 544 CB LEU A 38 55.394 -26.749 -2.539 1.00 42.14 C ATOM 545 CG LEU A 38 55.117 -25.384 -3.177 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.919 -25.484 -4.100 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.873 -24.322 -2.117 1.00 34.23 C ATOM 0 H LEU A 38 57.688 -26.571 -3.439 1.00 2.01 H new ATOM 0 HA LEU A 38 56.660 -26.111 -0.902 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.460 -27.485 -3.340 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.529 -27.016 -1.932 1.00 42.14 H new ATOM 0 HG LEU A 38 55.995 -25.090 -3.752 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.725 -24.511 -4.552 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.123 -26.214 -4.884 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.045 -25.799 -3.529 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.679 -23.364 -2.600 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.012 -24.604 -1.511 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.753 -24.236 -1.479 1.00 34.23 H new ATOM 559 N LYS A 39 56.796 -29.292 -1.735 1.00 4.41 N ATOM 560 CA LYS A 39 56.644 -30.613 -1.192 1.00 72.50 C ATOM 561 C LYS A 39 57.811 -31.000 -0.314 1.00 71.11 C ATOM 562 O LYS A 39 57.688 -31.881 0.533 1.00 23.23 O ATOM 563 CB LYS A 39 56.364 -31.629 -2.280 1.00 34.33 C ATOM 564 CG LYS A 39 55.067 -31.350 -3.021 1.00 51.34 C ATOM 565 CD LYS A 39 54.805 -32.367 -4.105 1.00 50.31 C ATOM 566 CE LYS A 39 53.526 -32.045 -4.851 1.00 14.03 C ATOM 567 NZ LYS A 39 53.269 -32.993 -5.949 1.00 31.25 N ATOM 0 H LYS A 39 57.050 -29.257 -2.722 1.00 4.41 H new ATOM 0 HA LYS A 39 55.769 -30.604 -0.542 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.191 -31.632 -2.991 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.319 -32.625 -1.839 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.238 -31.352 -2.314 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.108 -30.354 -3.461 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.643 -32.385 -4.802 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.734 -33.362 -3.666 1.00 50.31 H new ATOM 0 HE2 LYS A 39 52.687 -32.062 -4.155 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.587 -31.034 -5.253 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.323 -32.819 -6.343 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.984 -32.864 -6.694 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.319 -33.966 -5.586 1.00 31.25 H new ATOM 581 N SER A 40 58.933 -30.317 -0.477 1.00 51.14 N ATOM 582 CA SER A 40 60.044 -30.539 0.405 1.00 42.10 C ATOM 583 C SER A 40 59.787 -29.890 1.770 1.00 14.45 C ATOM 584 O SER A 40 60.239 -30.393 2.803 1.00 42.43 O ATOM 585 CB SER A 40 61.338 -30.009 -0.193 1.00 12.23 C ATOM 586 OG SER A 40 61.666 -30.696 -1.401 1.00 61.15 O ATOM 0 H SER A 40 59.088 -29.617 -1.203 1.00 51.14 H new ATOM 0 HA SER A 40 60.149 -31.615 0.541 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.239 -28.942 -0.393 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.149 -30.125 0.526 1.00 12.23 H new ATOM 0 HG SER A 40 61.068 -30.399 -2.119 1.00 61.15 H new ATOM 592 N VAL A 41 59.023 -28.805 1.776 1.00 11.22 N ATOM 593 CA VAL A 41 58.754 -28.085 3.008 1.00 71.41 C ATOM 594 C VAL A 41 57.412 -28.470 3.636 1.00 64.32 C ATOM 595 O VAL A 41 56.961 -27.840 4.588 1.00 51.12 O ATOM 596 CB VAL A 41 58.879 -26.548 2.856 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.303 -26.165 2.469 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.894 -26.011 1.840 1.00 74.11 C ATOM 0 H VAL A 41 58.582 -28.408 0.946 1.00 11.22 H new ATOM 0 HA VAL A 41 59.538 -28.399 3.697 1.00 71.41 H new ATOM 0 HB VAL A 41 58.643 -26.098 3.820 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.373 -25.082 2.366 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.993 -26.502 3.242 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.562 -26.637 1.521 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.009 -24.930 1.758 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.085 -26.471 0.870 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.878 -26.245 2.159 1.00 74.11 H new ATOM 608 N GLY A 42 56.786 -29.505 3.111 1.00 13.41 N ATOM 609 CA GLY A 42 55.604 -30.033 3.760 1.00 34.34 C ATOM 610 C GLY A 42 54.294 -29.792 3.042 1.00 74.23 C ATOM 611 O GLY A 42 53.228 -30.032 3.621 1.00 22.34 O ATOM 0 H GLY A 42 57.068 -29.987 2.257 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.733 -31.108 3.889 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.535 -29.598 4.757 1.00 34.34 H new ATOM 615 N ALA A 43 54.334 -29.355 1.798 1.00 52.43 N ATOM 616 CA ALA A 43 53.100 -29.135 1.055 1.00 31.35 C ATOM 617 C ALA A 43 52.597 -30.452 0.556 1.00 13.11 C ATOM 618 O ALA A 43 53.367 -31.254 0.021 1.00 2.23 O ATOM 619 CB ALA A 43 53.310 -28.197 -0.105 1.00 2.41 C ATOM 0 H ALA A 43 55.190 -29.147 1.284 1.00 52.43 H new ATOM 0 HA ALA A 43 52.370 -28.676 1.722 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.368 -28.057 -0.635 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.665 -27.235 0.265 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.050 -28.619 -0.785 1.00 2.41 H new ATOM 625 N GLN A 44 51.335 -30.683 0.721 1.00 11.11 N ATOM 626 CA GLN A 44 50.762 -31.951 0.378 1.00 14.10 C ATOM 627 C GLN A 44 50.107 -31.926 -0.985 1.00 41.31 C ATOM 628 O GLN A 44 50.209 -32.886 -1.743 1.00 14.35 O ATOM 629 CB GLN A 44 49.758 -32.379 1.440 1.00 34.11 C ATOM 630 CG GLN A 44 50.354 -32.464 2.832 1.00 12.52 C ATOM 631 CD GLN A 44 49.365 -32.973 3.853 1.00 43.54 C ATOM 632 OE1 GLN A 44 48.637 -32.197 4.481 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.328 -34.268 4.029 1.00 5.12 N ATOM 0 H GLN A 44 50.672 -30.004 1.095 1.00 11.11 H new ATOM 0 HA GLN A 44 51.573 -32.678 0.336 1.00 14.10 H new ATOM 0 HB2 GLN A 44 48.928 -31.673 1.451 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.346 -33.351 1.169 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.223 -33.122 2.812 1.00 12.52 H new ATOM 0 HG3 GLN A 44 50.708 -31.478 3.133 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.946 -34.874 3.490 1.00 5.12 H new ATOM 0 HE22 GLN A 44 48.681 -34.672 4.706 1.00 5.12 H new ATOM 642 N LYS A 45 49.457 -30.840 -1.312 1.00 34.22 N ATOM 643 CA LYS A 45 48.729 -30.772 -2.554 1.00 1.22 C ATOM 644 C LYS A 45 49.534 -30.109 -3.631 1.00 34.45 C ATOM 645 O LYS A 45 50.508 -29.395 -3.347 1.00 73.42 O ATOM 646 CB LYS A 45 47.419 -30.023 -2.383 1.00 41.14 C ATOM 647 CG LYS A 45 46.426 -30.683 -1.457 1.00 41.43 C ATOM 648 CD LYS A 45 45.121 -29.904 -1.409 1.00 52.41 C ATOM 649 CE LYS A 45 44.477 -29.807 -2.793 1.00 2.42 C ATOM 650 NZ LYS A 45 43.173 -29.147 -2.754 1.00 21.35 N ATOM 0 H LYS A 45 49.416 -29.996 -0.741 1.00 34.22 H new ATOM 0 HA LYS A 45 48.521 -31.800 -2.850 1.00 1.22 H new ATOM 0 HB2 LYS A 45 47.635 -29.023 -2.007 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.956 -29.902 -3.362 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.233 -31.702 -1.792 1.00 41.43 H new ATOM 0 HG3 LYS A 45 46.849 -30.752 -0.455 1.00 41.43 H new ATOM 0 HD2 LYS A 45 44.431 -30.389 -0.718 1.00 52.41 H new ATOM 0 HD3 LYS A 45 45.308 -28.902 -1.022 1.00 52.41 H new ATOM 0 HE2 LYS A 45 45.140 -29.258 -3.462 1.00 2.42 H new ATOM 0 HE3 LYS A 45 44.363 -30.808 -3.209 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 42.915 -28.831 -3.711 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 42.456 -29.815 -2.405 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 43.219 -28.325 -2.119 1.00 21.35 H new ATOM 664 N ASP A 46 49.116 -30.328 -4.861 1.00 71.23 N ATOM 665 CA ASP A 46 49.738 -29.695 -6.015 1.00 33.11 C ATOM 666 C ASP A 46 49.131 -28.328 -6.201 1.00 43.41 C ATOM 667 O ASP A 46 49.740 -27.437 -6.764 1.00 45.42 O ATOM 668 CB ASP A 46 49.550 -30.517 -7.303 1.00 22.43 C ATOM 669 CG ASP A 46 50.238 -31.858 -7.276 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.455 -31.930 -7.532 1.00 72.22 O ATOM 671 OD2 ASP A 46 49.569 -32.881 -7.011 1.00 45.24 O ATOM 0 H ASP A 46 48.339 -30.947 -5.093 1.00 71.23 H new ATOM 0 HA ASP A 46 50.809 -29.625 -5.827 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.484 -30.669 -7.473 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.929 -29.942 -8.148 1.00 22.43 H new ATOM 676 N THR A 47 47.933 -28.165 -5.704 1.00 73.34 N ATOM 677 CA THR A 47 47.266 -26.905 -5.771 1.00 64.41 C ATOM 678 C THR A 47 47.382 -26.176 -4.459 1.00 71.43 C ATOM 679 O THR A 47 47.431 -26.799 -3.376 1.00 40.44 O ATOM 680 CB THR A 47 45.808 -27.040 -6.197 1.00 20.33 C ATOM 681 OG1 THR A 47 45.255 -28.285 -5.701 1.00 44.41 O ATOM 682 CG2 THR A 47 45.667 -26.927 -7.716 1.00 54.35 C ATOM 0 H THR A 47 47.399 -28.903 -5.244 1.00 73.34 H new ATOM 0 HA THR A 47 47.763 -26.317 -6.543 1.00 64.41 H new ATOM 0 HB THR A 47 45.239 -26.219 -5.759 1.00 20.33 H new ATOM 0 HG1 THR A 47 44.318 -28.361 -5.979 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.617 -27.027 -7.992 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.038 -25.956 -8.045 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.245 -27.717 -8.195 1.00 54.35 H new ATOM 690 N TYR A 48 47.446 -24.880 -4.541 1.00 21.32 N ATOM 691 CA TYR A 48 47.715 -24.056 -3.403 1.00 72.11 C ATOM 692 C TYR A 48 47.243 -22.644 -3.664 1.00 63.32 C ATOM 693 O TYR A 48 47.067 -22.249 -4.819 1.00 44.22 O ATOM 694 CB TYR A 48 49.240 -24.111 -3.070 1.00 30.34 C ATOM 695 CG TYR A 48 50.212 -23.730 -4.216 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.147 -24.347 -5.465 1.00 63.43 C ATOM 697 CD2 TYR A 48 51.202 -22.781 -4.029 1.00 21.34 C ATOM 698 CE1 TYR A 48 51.014 -24.034 -6.476 1.00 12.51 C ATOM 699 CE2 TYR A 48 52.088 -22.457 -5.057 1.00 2.02 C ATOM 700 CZ TYR A 48 51.979 -23.092 -6.277 1.00 2.34 C ATOM 701 OH TYR A 48 52.849 -22.788 -7.300 1.00 72.12 O ATOM 0 H TYR A 48 47.311 -24.361 -5.409 1.00 21.32 H new ATOM 0 HA TYR A 48 47.168 -24.427 -2.536 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.429 -23.447 -2.227 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.481 -25.121 -2.740 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.388 -25.096 -5.640 1.00 63.43 H new ATOM 0 HD2 TYR A 48 51.290 -22.284 -3.074 1.00 21.34 H new ATOM 0 HE1 TYR A 48 50.934 -24.533 -7.431 1.00 12.51 H new ATOM 0 HE2 TYR A 48 52.855 -21.713 -4.899 1.00 2.02 H new ATOM 0 HH TYR A 48 52.765 -21.839 -7.530 1.00 72.12 H new ATOM 711 N THR A 49 46.952 -21.930 -2.622 1.00 4.35 N ATOM 712 CA THR A 49 46.557 -20.552 -2.723 1.00 1.34 C ATOM 713 C THR A 49 47.779 -19.680 -2.541 1.00 15.00 C ATOM 714 O THR A 49 48.822 -20.172 -2.099 1.00 52.25 O ATOM 715 CB THR A 49 45.545 -20.202 -1.618 1.00 51.02 C ATOM 716 OG1 THR A 49 46.095 -20.552 -0.342 1.00 64.22 O ATOM 717 CG2 THR A 49 44.244 -20.936 -1.821 1.00 61.52 C ATOM 0 H THR A 49 46.981 -22.286 -1.667 1.00 4.35 H new ATOM 0 HA THR A 49 46.100 -20.386 -3.699 1.00 1.34 H new ATOM 0 HB THR A 49 45.346 -19.131 -1.660 1.00 51.02 H new ATOM 0 HG1 THR A 49 46.080 -21.526 -0.235 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.548 -20.670 -1.026 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.817 -20.659 -2.785 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.425 -22.011 -1.799 1.00 61.52 H new ATOM 725 N MET A 50 47.665 -18.397 -2.860 1.00 21.14 N ATOM 726 CA MET A 50 48.746 -17.464 -2.644 1.00 1.43 C ATOM 727 C MET A 50 49.129 -17.365 -1.186 1.00 72.53 C ATOM 728 O MET A 50 50.292 -17.142 -0.862 1.00 74.21 O ATOM 729 CB MET A 50 48.436 -16.087 -3.178 1.00 22.31 C ATOM 730 CG MET A 50 48.426 -15.991 -4.685 1.00 4.50 C ATOM 731 SD MET A 50 48.819 -14.334 -5.241 1.00 33.11 S ATOM 732 CE MET A 50 50.403 -14.152 -4.423 1.00 73.31 C ATOM 0 H MET A 50 46.828 -17.984 -3.271 1.00 21.14 H new ATOM 0 HA MET A 50 49.592 -17.865 -3.202 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.463 -15.774 -2.800 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.171 -15.384 -2.786 1.00 22.31 H new ATOM 0 HG2 MET A 50 49.147 -16.696 -5.100 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.445 -16.279 -5.062 1.00 4.50 H new ATOM 0 HE1 MET A 50 50.309 -13.440 -3.603 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.723 -15.117 -4.030 1.00 73.31 H new ATOM 0 HE3 MET A 50 51.142 -13.788 -5.137 1.00 73.31 H new ATOM 742 N LYS A 51 48.157 -17.562 -0.315 1.00 14.32 N ATOM 743 CA LYS A 51 48.389 -17.521 1.117 1.00 64.44 C ATOM 744 C LYS A 51 49.340 -18.652 1.495 1.00 30.11 C ATOM 745 O LYS A 51 50.316 -18.454 2.206 1.00 14.04 O ATOM 746 CB LYS A 51 47.061 -17.670 1.869 1.00 41.10 C ATOM 747 CG LYS A 51 46.002 -16.654 1.453 1.00 73.21 C ATOM 748 CD LYS A 51 44.733 -16.797 2.280 1.00 42.42 C ATOM 749 CE LYS A 51 43.639 -15.839 1.808 1.00 70.32 C ATOM 750 NZ LYS A 51 44.095 -14.436 1.785 1.00 25.31 N ATOM 0 H LYS A 51 47.190 -17.754 -0.578 1.00 14.32 H new ATOM 0 HA LYS A 51 48.833 -16.564 1.391 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.672 -18.675 1.705 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.246 -17.571 2.939 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.400 -15.646 1.567 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.766 -16.786 0.397 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.371 -17.823 2.216 1.00 42.42 H new ATOM 0 HD3 LYS A 51 44.958 -16.604 3.329 1.00 42.42 H new ATOM 0 HE2 LYS A 51 43.311 -16.129 0.810 1.00 70.32 H new ATOM 0 HE3 LYS A 51 42.774 -15.927 2.465 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.270 -13.803 1.778 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 44.671 -14.244 2.629 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.666 -14.270 0.932 1.00 25.31 H new ATOM 764 N GLU A 52 49.089 -19.809 0.917 1.00 55.54 N ATOM 765 CA GLU A 52 49.891 -20.998 1.154 1.00 75.23 C ATOM 766 C GLU A 52 51.277 -20.864 0.559 1.00 14.34 C ATOM 767 O GLU A 52 52.226 -21.481 1.051 1.00 34.14 O ATOM 768 CB GLU A 52 49.197 -22.233 0.610 1.00 51.14 C ATOM 769 CG GLU A 52 47.922 -22.574 1.342 1.00 60.21 C ATOM 770 CD GLU A 52 47.140 -23.639 0.650 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.360 -23.298 -0.257 1.00 34.40 O ATOM 772 OE2 GLU A 52 47.265 -24.828 1.002 1.00 4.25 O ATOM 0 H GLU A 52 48.318 -19.954 0.265 1.00 55.54 H new ATOM 0 HA GLU A 52 50.002 -21.107 2.233 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.972 -22.079 -0.445 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.880 -23.081 0.670 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.163 -22.902 2.353 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.308 -21.678 1.435 1.00 60.21 H new ATOM 779 N VAL A 53 51.420 -20.036 -0.483 1.00 43.32 N ATOM 780 CA VAL A 53 52.726 -19.830 -1.079 1.00 51.12 C ATOM 781 C VAL A 53 53.582 -19.127 -0.072 1.00 21.10 C ATOM 782 O VAL A 53 54.679 -19.517 0.157 1.00 11.23 O ATOM 783 CB VAL A 53 52.671 -18.970 -2.349 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.004 -18.987 -3.052 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.588 -19.428 -3.267 1.00 10.42 C ATOM 0 H VAL A 53 50.660 -19.512 -0.917 1.00 43.32 H new ATOM 0 HA VAL A 53 53.126 -20.804 -1.360 1.00 51.12 H new ATOM 0 HB VAL A 53 52.444 -17.946 -2.053 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.949 -18.373 -3.951 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.771 -18.590 -2.387 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.257 -20.011 -3.327 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.575 -18.799 -4.157 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.770 -20.463 -3.557 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.626 -19.357 -2.759 1.00 10.42 H new ATOM 795 N LEU A 54 53.031 -18.124 0.558 1.00 70.30 N ATOM 796 CA LEU A 54 53.736 -17.368 1.583 1.00 2.43 C ATOM 797 C LEU A 54 54.226 -18.305 2.656 1.00 14.03 C ATOM 798 O LEU A 54 55.380 -18.280 3.030 1.00 21.52 O ATOM 799 CB LEU A 54 52.830 -16.325 2.241 1.00 11.33 C ATOM 800 CG LEU A 54 52.058 -15.394 1.321 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.384 -14.311 2.108 1.00 70.35 C ATOM 802 CD2 LEU A 54 52.926 -14.843 0.207 1.00 72.44 C ATOM 0 H LEU A 54 52.080 -17.800 0.382 1.00 70.30 H new ATOM 0 HA LEU A 54 54.568 -16.859 1.097 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.111 -16.851 2.870 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.444 -15.713 2.902 1.00 11.33 H new ATOM 0 HG LEU A 54 51.279 -15.979 0.832 1.00 21.01 H new ATOM 0 HD11 LEU A 54 50.837 -13.656 1.430 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.690 -14.757 2.821 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.134 -13.732 2.646 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.332 -14.183 -0.425 1.00 72.44 H new ATOM 0 HD22 LEU A 54 53.757 -14.283 0.636 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.315 -15.666 -0.393 1.00 72.44 H new ATOM 814 N PHE A 55 53.373 -19.192 3.068 1.00 3.44 N ATOM 815 CA PHE A 55 53.730 -20.078 4.144 1.00 31.34 C ATOM 816 C PHE A 55 54.807 -21.073 3.723 1.00 34.30 C ATOM 817 O PHE A 55 55.867 -21.118 4.323 1.00 13.01 O ATOM 818 CB PHE A 55 52.510 -20.783 4.742 1.00 43.03 C ATOM 819 CG PHE A 55 51.469 -19.833 5.280 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.818 -18.825 6.164 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.150 -19.931 4.877 1.00 13.12 C ATOM 822 CE1 PHE A 55 50.872 -17.942 6.636 1.00 44.21 C ATOM 823 CE2 PHE A 55 49.202 -19.046 5.341 1.00 72.04 C ATOM 824 CZ PHE A 55 49.565 -18.051 6.223 1.00 42.14 C ATOM 0 H PHE A 55 52.437 -19.325 2.685 1.00 3.44 H new ATOM 0 HA PHE A 55 54.153 -19.458 4.934 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.055 -21.414 3.979 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.839 -21.442 5.546 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.844 -18.730 6.487 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.859 -20.712 4.190 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.157 -17.165 7.330 1.00 44.21 H new ATOM 0 HE2 PHE A 55 48.176 -19.132 5.014 1.00 72.04 H new ATOM 0 HZ PHE A 55 48.823 -17.357 6.590 1.00 42.14 H new ATOM 834 N TYR A 56 54.564 -21.808 2.665 1.00 63.30 N ATOM 835 CA TYR A 56 55.487 -22.845 2.240 1.00 1.22 C ATOM 836 C TYR A 56 56.713 -22.315 1.495 1.00 62.54 C ATOM 837 O TYR A 56 57.816 -22.807 1.708 1.00 21.03 O ATOM 838 CB TYR A 56 54.787 -23.917 1.419 1.00 51.34 C ATOM 839 CG TYR A 56 53.772 -24.705 2.195 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.167 -25.737 3.021 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.423 -24.416 2.105 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.249 -26.465 3.740 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.494 -25.136 2.817 1.00 50.53 C ATOM 844 CZ TYR A 56 51.910 -26.161 3.637 1.00 61.21 C ATOM 845 OH TYR A 56 50.984 -26.896 4.345 1.00 44.45 O ATOM 0 H TYR A 56 53.735 -21.711 2.078 1.00 63.30 H new ATOM 0 HA TYR A 56 55.857 -23.292 3.163 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.295 -23.447 0.568 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.535 -24.601 1.017 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.217 -25.977 3.104 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.094 -23.611 1.465 1.00 1.33 H new ATOM 0 HE1 TYR A 56 53.576 -27.270 4.381 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.444 -24.899 2.734 1.00 50.53 H new ATOM 0 HH TYR A 56 50.085 -26.552 4.162 1.00 44.45 H new ATOM 855 N LEU A 57 56.544 -21.301 0.650 1.00 33.41 N ATOM 856 CA LEU A 57 57.669 -20.777 -0.110 1.00 40.31 C ATOM 857 C LEU A 57 58.616 -20.110 0.880 1.00 40.54 C ATOM 858 O LEU A 57 59.841 -20.227 0.777 1.00 5.14 O ATOM 859 CB LEU A 57 57.188 -19.785 -1.217 1.00 53.03 C ATOM 860 CG LEU A 57 58.133 -19.529 -2.424 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.440 -18.716 -3.497 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.403 -18.824 -2.024 1.00 3.30 C ATOM 0 H LEU A 57 55.654 -20.834 0.478 1.00 33.41 H new ATOM 0 HA LEU A 57 58.187 -21.581 -0.633 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.239 -20.154 -1.607 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.986 -18.825 -0.741 1.00 53.03 H new ATOM 0 HG LEU A 57 58.394 -20.513 -2.814 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.125 -18.552 -4.329 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.561 -19.255 -3.851 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.134 -17.755 -3.084 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.027 -18.670 -2.905 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.159 -17.859 -1.579 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.944 -19.432 -1.298 1.00 3.30 H new ATOM 874 N GLY A 58 58.016 -19.493 1.888 1.00 34.05 N ATOM 875 CA GLY A 58 58.759 -18.832 2.934 1.00 74.30 C ATOM 876 C GLY A 58 59.590 -19.797 3.718 1.00 10.41 C ATOM 877 O GLY A 58 60.707 -19.467 4.120 1.00 32.52 O ATOM 0 H GLY A 58 57.003 -19.440 1.997 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.403 -18.069 2.496 1.00 74.30 H new ATOM 0 HA3 GLY A 58 58.068 -18.320 3.603 1.00 74.30 H new ATOM 881 N GLN A 59 59.059 -21.014 3.912 1.00 63.23 N ATOM 882 CA GLN A 59 59.785 -22.069 4.608 1.00 64.13 C ATOM 883 C GLN A 59 61.080 -22.329 3.886 1.00 12.12 C ATOM 884 O GLN A 59 62.131 -22.339 4.489 1.00 60.00 O ATOM 885 CB GLN A 59 59.007 -23.392 4.638 1.00 61.45 C ATOM 886 CG GLN A 59 57.638 -23.339 5.261 1.00 71.21 C ATOM 887 CD GLN A 59 57.642 -22.860 6.689 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.607 -23.052 7.440 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.578 -22.224 7.066 1.00 73.55 N ATOM 0 H GLN A 59 58.129 -21.285 3.594 1.00 63.23 H new ATOM 0 HA GLN A 59 59.943 -21.730 5.632 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.905 -23.754 3.615 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.602 -24.128 5.178 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.004 -22.681 4.668 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.191 -24.333 5.221 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.806 -22.089 6.413 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.512 -21.858 8.016 1.00 73.55 H new ATOM 898 N TYR A 60 60.983 -22.467 2.574 1.00 52.35 N ATOM 899 CA TYR A 60 62.114 -22.811 1.737 1.00 12.25 C ATOM 900 C TYR A 60 63.201 -21.727 1.782 1.00 54.12 C ATOM 901 O TYR A 60 64.383 -22.034 1.937 1.00 53.15 O ATOM 902 CB TYR A 60 61.653 -23.063 0.298 1.00 33.44 C ATOM 903 CG TYR A 60 62.712 -23.684 -0.585 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.969 -25.049 -0.520 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.445 -22.920 -1.484 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.925 -25.634 -1.318 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.406 -23.501 -2.288 1.00 63.13 C ATOM 908 CZ TYR A 60 64.640 -24.859 -2.201 1.00 64.01 C ATOM 909 OH TYR A 60 65.603 -25.440 -2.992 1.00 62.05 O ATOM 0 H TYR A 60 60.111 -22.342 2.059 1.00 52.35 H new ATOM 0 HA TYR A 60 62.554 -23.728 2.128 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.780 -23.716 0.316 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.335 -22.118 -0.142 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.408 -25.662 0.170 1.00 3.25 H new ATOM 0 HD2 TYR A 60 63.261 -21.858 -1.555 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.113 -26.695 -1.251 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.972 -22.896 -2.981 1.00 63.13 H new ATOM 0 HH TYR A 60 66.015 -24.757 -3.561 1.00 62.05 H new ATOM 919 N ILE A 61 62.787 -20.470 1.728 1.00 22.33 N ATOM 920 CA ILE A 61 63.731 -19.346 1.709 1.00 54.32 C ATOM 921 C ILE A 61 64.439 -19.283 3.046 1.00 22.41 C ATOM 922 O ILE A 61 65.651 -19.043 3.134 1.00 45.34 O ATOM 923 CB ILE A 61 63.010 -17.978 1.518 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.044 -18.010 0.355 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.028 -16.856 1.280 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.289 -16.710 0.176 1.00 12.42 C ATOM 0 H ILE A 61 61.805 -20.195 1.696 1.00 22.33 H new ATOM 0 HA ILE A 61 64.417 -19.511 0.878 1.00 54.32 H new ATOM 0 HB ILE A 61 62.452 -17.786 2.435 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.593 -18.234 -0.560 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.330 -18.820 0.505 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.503 -15.910 1.149 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.697 -16.784 2.137 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.609 -17.076 0.384 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.612 -16.796 -0.674 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.714 -16.496 1.077 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.996 -15.900 -0.004 1.00 12.42 H new ATOM 938 N MET A 62 63.679 -19.533 4.076 1.00 72.44 N ATOM 939 CA MET A 62 64.151 -19.425 5.418 1.00 41.23 C ATOM 940 C MET A 62 65.007 -20.625 5.820 1.00 61.21 C ATOM 941 O MET A 62 66.049 -20.458 6.410 1.00 12.42 O ATOM 942 CB MET A 62 62.968 -19.266 6.355 1.00 32.32 C ATOM 943 CG MET A 62 63.316 -18.998 7.806 1.00 13.52 C ATOM 944 SD MET A 62 61.844 -18.810 8.848 1.00 44.31 S ATOM 945 CE MET A 62 61.014 -20.374 8.554 1.00 63.31 C ATOM 0 H MET A 62 62.703 -19.821 4.000 1.00 72.44 H new ATOM 0 HA MET A 62 64.791 -18.545 5.488 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.346 -18.448 5.992 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.364 -20.172 6.306 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.925 -19.817 8.188 1.00 13.52 H new ATOM 0 HG3 MET A 62 63.921 -18.094 7.870 1.00 13.52 H new ATOM 0 HE1 MET A 62 60.333 -20.585 9.379 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.450 -20.317 7.623 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.754 -21.171 8.481 1.00 63.31 H new ATOM 955 N THR A 63 64.585 -21.820 5.450 1.00 24.30 N ATOM 956 CA THR A 63 65.278 -23.042 5.849 1.00 13.21 C ATOM 957 C THR A 63 66.617 -23.191 5.115 1.00 64.20 C ATOM 958 O THR A 63 67.541 -23.822 5.615 1.00 74.44 O ATOM 959 CB THR A 63 64.387 -24.313 5.646 1.00 32.20 C ATOM 960 OG1 THR A 63 64.969 -25.458 6.295 1.00 73.21 O ATOM 961 CG2 THR A 63 64.190 -24.631 4.166 1.00 71.34 C ATOM 0 H THR A 63 63.761 -21.976 4.870 1.00 24.30 H new ATOM 0 HA THR A 63 65.485 -22.955 6.916 1.00 13.21 H new ATOM 0 HB THR A 63 63.417 -24.093 6.092 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.395 -26.240 6.156 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.567 -25.519 4.065 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.704 -23.788 3.674 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.159 -24.813 3.701 1.00 71.34 H new ATOM 969 N LYS A 64 66.719 -22.620 3.945 1.00 74.50 N ATOM 970 CA LYS A 64 67.968 -22.659 3.209 1.00 35.22 C ATOM 971 C LYS A 64 68.792 -21.457 3.565 1.00 24.12 C ATOM 972 O LYS A 64 69.996 -21.439 3.371 1.00 50.03 O ATOM 973 CB LYS A 64 67.709 -22.660 1.717 1.00 41.22 C ATOM 974 CG LYS A 64 66.917 -23.837 1.213 1.00 22.42 C ATOM 975 CD LYS A 64 67.647 -25.152 1.417 1.00 13.51 C ATOM 976 CE LYS A 64 66.850 -26.305 0.844 1.00 12.10 C ATOM 977 NZ LYS A 64 67.473 -27.612 1.128 1.00 42.24 N ATOM 0 H LYS A 64 65.961 -22.123 3.477 1.00 74.50 H new ATOM 0 HA LYS A 64 68.501 -23.572 3.474 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.179 -21.744 1.454 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.666 -22.635 1.197 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.957 -23.873 1.728 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.705 -23.702 0.152 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.626 -25.108 0.939 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.819 -25.316 2.481 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.842 -26.288 1.258 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.754 -26.177 -0.234 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.892 -28.370 0.716 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.425 -27.640 0.711 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.541 -27.748 2.157 1.00 42.24 H new ATOM 991 N ARG A 65 68.108 -20.464 4.117 1.00 62.41 N ATOM 992 CA ARG A 65 68.694 -19.175 4.473 1.00 10.24 C ATOM 993 C ARG A 65 69.153 -18.459 3.215 1.00 55.32 C ATOM 994 O ARG A 65 70.347 -18.255 2.978 1.00 33.21 O ATOM 995 CB ARG A 65 69.840 -19.254 5.526 1.00 10.13 C ATOM 996 CG ARG A 65 69.423 -19.554 6.971 1.00 12.01 C ATOM 997 CD ARG A 65 69.000 -20.998 7.182 1.00 0.21 C ATOM 998 NE ARG A 65 68.534 -21.233 8.556 1.00 35.32 N ATOM 999 CZ ARG A 65 68.082 -22.401 9.040 1.00 62.31 C ATOM 1000 NH1 ARG A 65 68.078 -23.490 8.283 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.645 -22.474 10.286 1.00 23.34 N ATOM 0 H ARG A 65 67.114 -20.531 4.334 1.00 62.41 H new ATOM 0 HA ARG A 65 67.906 -18.603 4.964 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.543 -20.023 5.207 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.378 -18.306 5.516 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.254 -19.324 7.638 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.600 -18.896 7.249 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.205 -21.251 6.480 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.839 -21.659 6.964 1.00 0.21 H new ATOM 0 HE ARG A 65 68.556 -20.440 9.197 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.421 -23.445 7.323 1.00 53.35 H new ATOM 0 HH12 ARG A 65 67.732 -24.372 8.661 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.652 -21.644 10.878 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.301 -23.361 10.655 1.00 23.34 H new ATOM 1015 N LEU A 66 68.198 -18.140 2.377 1.00 53.51 N ATOM 1016 CA LEU A 66 68.478 -17.496 1.112 1.00 71.15 C ATOM 1017 C LEU A 66 68.352 -15.991 1.228 1.00 32.04 C ATOM 1018 O LEU A 66 68.552 -15.260 0.256 1.00 73.22 O ATOM 1019 CB LEU A 66 67.543 -18.031 0.021 1.00 33.23 C ATOM 1020 CG LEU A 66 67.622 -19.532 -0.259 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.575 -19.944 -1.281 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.016 -19.927 -0.735 1.00 42.44 C ATOM 0 H LEU A 66 67.208 -18.317 2.549 1.00 53.51 H new ATOM 0 HA LEU A 66 69.506 -17.727 0.834 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.518 -17.788 0.299 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.757 -17.498 -0.905 1.00 33.23 H new ATOM 0 HG LEU A 66 67.420 -20.058 0.674 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.649 -21.016 -1.466 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.582 -19.709 -0.899 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.743 -19.403 -2.212 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.045 -21.000 -0.927 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.254 -19.388 -1.652 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.747 -19.676 0.033 1.00 42.44 H new ATOM 1034 N TYR A 67 68.035 -15.526 2.408 1.00 50.33 N ATOM 1035 CA TYR A 67 67.857 -14.119 2.627 1.00 63.44 C ATOM 1036 C TYR A 67 69.061 -13.522 3.344 1.00 41.21 C ATOM 1037 O TYR A 67 69.962 -14.248 3.762 1.00 0.14 O ATOM 1038 CB TYR A 67 66.525 -13.818 3.357 1.00 32.51 C ATOM 1039 CG TYR A 67 66.399 -14.357 4.769 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.092 -15.692 5.015 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.571 -13.517 5.857 1.00 64.31 C ATOM 1042 CE1 TYR A 67 65.968 -16.163 6.310 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.448 -13.980 7.146 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.148 -15.300 7.369 1.00 62.24 C ATOM 1045 OH TYR A 67 66.026 -15.765 8.660 1.00 52.04 O ATOM 0 H TYR A 67 67.895 -16.107 3.235 1.00 50.33 H new ATOM 0 HA TYR A 67 67.790 -13.633 1.654 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.389 -12.737 3.389 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.708 -14.225 2.761 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.949 -16.368 4.185 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.807 -12.476 5.689 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.731 -17.201 6.490 1.00 3.00 H new ATOM 0 HE2 TYR A 67 66.587 -13.307 7.979 1.00 44.51 H new ATOM 0 HH TYR A 67 66.184 -15.030 9.289 1.00 52.04 H new ATOM 1055 N ASP A 68 69.080 -12.220 3.437 1.00 63.44 N ATOM 1056 CA ASP A 68 70.147 -11.462 4.075 1.00 21.32 C ATOM 1057 C ASP A 68 70.141 -11.736 5.569 1.00 52.35 C ATOM 1058 O ASP A 68 69.099 -11.673 6.227 1.00 13.34 O ATOM 1059 CB ASP A 68 69.923 -9.959 3.825 1.00 1.00 C ATOM 1060 CG ASP A 68 71.078 -9.058 4.196 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.675 -9.220 5.255 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.399 -8.142 3.412 1.00 24.12 O ATOM 0 H ASP A 68 68.336 -11.631 3.063 1.00 63.44 H new ATOM 0 HA ASP A 68 71.108 -11.762 3.658 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.697 -9.814 2.769 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.043 -9.642 4.386 1.00 1.00 H new ATOM 1067 N GLU A 69 71.294 -12.027 6.094 1.00 63.22 N ATOM 1068 CA GLU A 69 71.447 -12.335 7.493 1.00 62.14 C ATOM 1069 C GLU A 69 71.295 -11.084 8.372 1.00 64.00 C ATOM 1070 O GLU A 69 70.998 -11.193 9.557 1.00 30.11 O ATOM 1071 CB GLU A 69 72.795 -13.005 7.741 1.00 42.41 C ATOM 1072 CG GLU A 69 73.973 -12.207 7.219 1.00 61.33 C ATOM 1073 CD GLU A 69 75.289 -12.790 7.619 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.763 -12.482 8.725 1.00 52.31 O ATOM 1075 OE2 GLU A 69 75.881 -13.556 6.843 1.00 24.54 O ATOM 0 H GLU A 69 72.164 -12.059 5.563 1.00 63.22 H new ATOM 0 HA GLU A 69 70.651 -13.026 7.770 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.921 -13.165 8.812 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.795 -13.988 7.270 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.919 -12.156 6.132 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.906 -11.184 7.590 1.00 61.33 H new ATOM 1082 N LYS A 70 71.483 -9.907 7.795 1.00 21.31 N ATOM 1083 CA LYS A 70 71.402 -8.670 8.557 1.00 43.13 C ATOM 1084 C LYS A 70 70.067 -8.007 8.294 1.00 3.23 C ATOM 1085 O LYS A 70 69.525 -7.305 9.150 1.00 14.52 O ATOM 1086 CB LYS A 70 72.453 -7.691 8.072 1.00 51.11 C ATOM 1087 CG LYS A 70 73.794 -8.285 7.706 1.00 5.05 C ATOM 1088 CD LYS A 70 74.554 -8.861 8.887 1.00 31.00 C ATOM 1089 CE LYS A 70 75.941 -9.304 8.453 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.646 -10.066 9.500 1.00 33.03 N ATOM 0 H LYS A 70 71.692 -9.782 6.805 1.00 21.31 H new ATOM 0 HA LYS A 70 71.540 -8.912 9.611 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.059 -7.168 7.200 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.609 -6.942 8.849 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.643 -9.071 6.966 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.405 -7.515 7.234 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.633 -8.114 9.677 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.007 -9.708 9.303 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.858 -9.917 7.556 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.532 -8.427 8.187 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.662 -9.848 9.463 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.269 -9.804 10.433 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.504 -11.084 9.343 1.00 33.03 H new ATOM 1104 N GLN A 71 69.550 -8.211 7.103 1.00 50.03 N ATOM 1105 CA GLN A 71 68.261 -7.639 6.733 1.00 5.34 C ATOM 1106 C GLN A 71 67.273 -8.698 6.316 1.00 62.15 C ATOM 1107 O GLN A 71 67.340 -9.202 5.210 1.00 64.52 O ATOM 1108 CB GLN A 71 68.394 -6.590 5.617 1.00 3.32 C ATOM 1109 CG GLN A 71 69.149 -5.334 6.013 1.00 21.51 C ATOM 1110 CD GLN A 71 68.509 -4.614 7.188 1.00 43.20 C ATOM 1111 OE1 GLN A 71 67.288 -4.676 7.395 1.00 23.33 O ATOM 1112 NE2 GLN A 71 69.310 -3.922 7.948 1.00 3.50 N ATOM 0 H GLN A 71 69.995 -8.766 6.372 1.00 50.03 H new ATOM 0 HA GLN A 71 67.884 -7.145 7.629 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.898 -7.047 4.766 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.396 -6.307 5.282 1.00 3.32 H new ATOM 0 HG2 GLN A 71 70.176 -5.597 6.268 1.00 21.51 H new ATOM 0 HG3 GLN A 71 69.196 -4.658 5.159 1.00 21.51 H new ATOM 0 HE21 GLN A 71 70.309 -3.896 7.745 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.938 -3.407 8.746 1.00 3.50 H new ATOM 1121 N GLN A 72 66.339 -8.998 7.196 1.00 33.03 N ATOM 1122 CA GLN A 72 65.309 -10.009 6.946 1.00 64.41 C ATOM 1123 C GLN A 72 64.516 -9.695 5.685 1.00 73.12 C ATOM 1124 O GLN A 72 64.146 -10.587 4.941 1.00 1.14 O ATOM 1125 CB GLN A 72 64.305 -10.123 8.108 1.00 2.34 C ATOM 1126 CG GLN A 72 64.847 -10.580 9.457 1.00 64.34 C ATOM 1127 CD GLN A 72 65.675 -9.534 10.158 1.00 20.23 C ATOM 1128 OE1 GLN A 72 66.896 -9.485 10.020 1.00 21.44 O ATOM 1129 NE2 GLN A 72 65.016 -8.662 10.869 1.00 52.04 N ATOM 0 H GLN A 72 66.265 -8.551 8.110 1.00 33.03 H new ATOM 0 HA GLN A 72 65.847 -10.951 6.835 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.836 -9.149 8.245 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.519 -10.816 7.808 1.00 2.34 H new ATOM 0 HG2 GLN A 72 64.012 -10.861 10.099 1.00 64.34 H new ATOM 0 HG3 GLN A 72 65.453 -11.474 9.312 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.003 -8.738 10.958 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.514 -7.904 11.336 1.00 52.04 H new ATOM 1138 N HIS A 73 64.243 -8.410 5.457 1.00 20.12 N ATOM 1139 CA HIS A 73 63.434 -8.000 4.318 1.00 23.35 C ATOM 1140 C HIS A 73 64.162 -8.125 2.974 1.00 72.14 C ATOM 1141 O HIS A 73 63.563 -7.899 1.920 1.00 10.11 O ATOM 1142 CB HIS A 73 62.858 -6.571 4.507 1.00 41.31 C ATOM 1143 CG HIS A 73 63.817 -5.422 4.322 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.507 -4.840 5.350 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.158 -4.733 3.213 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.235 -3.852 4.896 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.040 -3.764 3.595 1.00 73.14 N ATOM 0 H HIS A 73 64.570 -7.642 6.044 1.00 20.12 H new ATOM 0 HA HIS A 73 62.602 -8.703 4.283 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.033 -6.442 3.806 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.437 -6.504 5.510 1.00 41.31 H new ATOM 0 HD2 HIS A 73 63.800 -4.914 2.210 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.883 -3.219 5.484 1.00 3.33 H new ATOM 0 HE2 HIS A 73 65.477 -3.082 2.975 1.00 73.14 H new ATOM 1155 N ILE A 74 65.411 -8.478 3.021 1.00 50.14 N ATOM 1156 CA ILE A 74 66.213 -8.602 1.835 1.00 22.31 C ATOM 1157 C ILE A 74 66.475 -10.049 1.567 1.00 55.40 C ATOM 1158 O ILE A 74 67.174 -10.706 2.313 1.00 73.00 O ATOM 1159 CB ILE A 74 67.560 -7.819 1.942 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.299 -6.316 2.027 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.502 -8.135 0.772 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.529 -5.775 0.845 1.00 73.44 C ATOM 0 H ILE A 74 65.908 -8.690 3.886 1.00 50.14 H new ATOM 0 HA ILE A 74 65.657 -8.161 1.007 1.00 22.31 H new ATOM 0 HB ILE A 74 68.055 -8.145 2.857 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.745 -6.102 2.941 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.252 -5.792 2.101 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.427 -7.569 0.886 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.728 -9.201 0.764 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.022 -7.859 -0.167 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.378 -4.703 0.969 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.091 -5.959 -0.071 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.561 -6.273 0.783 1.00 73.44 H new ATOM 1174 N VAL A 75 65.901 -10.556 0.538 1.00 45.43 N ATOM 1175 CA VAL A 75 66.131 -11.905 0.199 1.00 24.42 C ATOM 1176 C VAL A 75 67.033 -11.938 -0.996 1.00 52.54 C ATOM 1177 O VAL A 75 66.773 -11.267 -1.979 1.00 42.31 O ATOM 1178 CB VAL A 75 64.835 -12.673 -0.106 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.146 -14.126 -0.292 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.813 -12.481 0.997 1.00 11.12 C ATOM 0 H VAL A 75 65.267 -10.053 -0.083 1.00 45.43 H new ATOM 0 HA VAL A 75 66.589 -12.398 1.056 1.00 24.42 H new ATOM 0 HB VAL A 75 64.403 -12.278 -1.026 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.227 -14.670 -0.508 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.842 -14.246 -1.122 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.596 -14.521 0.619 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.907 -13.036 0.754 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.221 -12.847 1.939 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.575 -11.422 1.092 1.00 11.12 H new ATOM 1190 N TYR A 76 68.094 -12.676 -0.921 1.00 5.33 N ATOM 1191 CA TYR A 76 68.994 -12.724 -2.022 1.00 2.23 C ATOM 1192 C TYR A 76 68.553 -13.770 -3.005 1.00 20.23 C ATOM 1193 O TYR A 76 68.053 -13.453 -4.081 1.00 22.13 O ATOM 1194 CB TYR A 76 70.416 -13.056 -1.573 1.00 71.42 C ATOM 1195 CG TYR A 76 71.060 -12.088 -0.622 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.097 -10.729 -0.889 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.696 -12.552 0.517 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.753 -9.863 -0.047 1.00 53.13 C ATOM 1199 CE2 TYR A 76 72.341 -11.691 1.368 1.00 3.12 C ATOM 1200 CZ TYR A 76 72.371 -10.354 1.080 1.00 44.23 C ATOM 1201 OH TYR A 76 73.060 -9.500 1.909 1.00 11.02 O ATOM 0 H TYR A 76 68.355 -13.247 -0.117 1.00 5.33 H new ATOM 0 HA TYR A 76 68.989 -11.737 -2.485 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.405 -14.040 -1.104 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.045 -13.133 -2.460 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.604 -10.345 -1.770 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.684 -13.609 0.739 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.783 -8.806 -0.268 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.822 -12.066 2.259 1.00 3.12 H new ATOM 0 HH TYR A 76 72.477 -8.757 2.170 1.00 11.02 H new ATOM 1211 N CYS A 77 68.672 -15.027 -2.583 1.00 54.53 N ATOM 1212 CA CYS A 77 68.458 -16.173 -3.447 1.00 52.14 C ATOM 1213 C CYS A 77 69.376 -16.075 -4.665 1.00 4.33 C ATOM 1214 O CYS A 77 69.055 -16.553 -5.749 1.00 62.20 O ATOM 1215 CB CYS A 77 66.984 -16.308 -3.854 1.00 61.41 C ATOM 1216 SG CYS A 77 65.884 -16.508 -2.462 1.00 54.33 S ATOM 0 H CYS A 77 68.921 -15.275 -1.625 1.00 54.53 H new ATOM 0 HA CYS A 77 68.709 -17.079 -2.895 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.688 -15.424 -4.419 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.875 -17.164 -4.521 1.00 61.41 H new ATOM 0 HG CYS A 77 64.937 -15.620 -2.526 1.00 54.33 H new ATOM 1222 N SER A 78 70.568 -15.515 -4.449 1.00 74.53 N ATOM 1223 CA SER A 78 71.552 -15.338 -5.491 1.00 1.24 C ATOM 1224 C SER A 78 72.182 -16.689 -5.804 1.00 20.30 C ATOM 1225 O SER A 78 72.694 -16.933 -6.894 1.00 21.43 O ATOM 1226 CB SER A 78 72.625 -14.371 -4.994 1.00 41.00 C ATOM 1227 OG SER A 78 72.038 -13.176 -4.490 1.00 62.31 O ATOM 0 H SER A 78 70.869 -15.173 -3.536 1.00 74.53 H new ATOM 0 HA SER A 78 71.087 -14.935 -6.391 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.216 -14.848 -4.212 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.308 -14.130 -5.808 1.00 41.00 H new ATOM 0 HG SER A 78 71.286 -12.915 -5.061 1.00 62.31 H new ATOM 1233 N ASN A 79 72.115 -17.571 -4.839 1.00 41.54 N ATOM 1234 CA ASN A 79 72.677 -18.896 -4.966 1.00 73.42 C ATOM 1235 C ASN A 79 71.595 -19.892 -5.309 1.00 0.00 C ATOM 1236 O ASN A 79 71.850 -21.085 -5.367 1.00 53.23 O ATOM 1237 CB ASN A 79 73.358 -19.315 -3.654 1.00 72.51 C ATOM 1238 CG ASN A 79 74.505 -18.407 -3.259 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.301 -17.389 -2.589 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.705 -18.757 -3.641 1.00 12.14 N ATOM 0 H ASN A 79 71.668 -17.392 -3.940 1.00 41.54 H new ATOM 0 HA ASN A 79 73.418 -18.879 -5.765 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.617 -19.323 -2.854 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.729 -20.335 -3.755 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.509 -18.183 -3.387 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.838 -19.604 -4.193 1.00 12.14 H new ATOM 1247 N ASP A 80 70.396 -19.408 -5.570 1.00 63.10 N ATOM 1248 CA ASP A 80 69.281 -20.299 -5.837 1.00 44.31 C ATOM 1249 C ASP A 80 68.515 -19.850 -7.084 1.00 54.24 C ATOM 1250 O ASP A 80 68.738 -18.750 -7.601 1.00 62.42 O ATOM 1251 CB ASP A 80 68.350 -20.404 -4.604 1.00 54.35 C ATOM 1252 CG ASP A 80 67.266 -21.454 -4.775 1.00 4.01 C ATOM 1253 OD1 ASP A 80 67.563 -22.654 -4.619 1.00 31.11 O ATOM 1254 OD2 ASP A 80 66.134 -21.100 -5.149 1.00 51.55 O ATOM 0 H ASP A 80 70.169 -18.414 -5.603 1.00 63.10 H new ATOM 0 HA ASP A 80 69.677 -21.295 -6.033 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.946 -20.643 -3.723 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.886 -19.435 -4.421 1.00 54.35 H new ATOM 1259 N LEU A 81 67.624 -20.693 -7.540 1.00 71.31 N ATOM 1260 CA LEU A 81 66.855 -20.486 -8.727 1.00 11.32 C ATOM 1261 C LEU A 81 65.663 -19.536 -8.442 1.00 12.11 C ATOM 1262 O LEU A 81 65.250 -18.814 -9.319 1.00 75.03 O ATOM 1263 CB LEU A 81 66.413 -21.891 -9.252 1.00 25.11 C ATOM 1264 CG LEU A 81 65.736 -22.016 -10.641 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.290 -21.574 -10.618 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.514 -21.241 -11.690 1.00 21.25 C ATOM 0 H LEU A 81 67.411 -21.574 -7.072 1.00 71.31 H new ATOM 0 HA LEU A 81 67.442 -19.994 -9.502 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.298 -22.527 -9.263 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.727 -22.312 -8.517 1.00 25.11 H new ATOM 0 HG LEU A 81 65.745 -23.074 -10.905 1.00 40.03 H new ATOM 0 HD11 LEU A 81 63.861 -21.681 -11.614 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.732 -22.192 -9.915 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.233 -20.530 -10.309 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.021 -21.342 -12.657 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.552 -20.188 -11.411 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.528 -21.636 -11.756 1.00 21.25 H new ATOM 1278 N LEU A 82 65.176 -19.514 -7.192 1.00 22.23 N ATOM 1279 CA LEU A 82 64.011 -18.696 -6.781 1.00 31.14 C ATOM 1280 C LEU A 82 64.084 -17.223 -7.250 1.00 51.53 C ATOM 1281 O LEU A 82 63.271 -16.779 -8.088 1.00 75.13 O ATOM 1282 CB LEU A 82 63.842 -18.762 -5.249 1.00 51.31 C ATOM 1283 CG LEU A 82 62.896 -17.734 -4.613 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.485 -17.839 -5.151 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.911 -17.841 -3.106 1.00 64.25 C ATOM 0 H LEU A 82 65.576 -20.063 -6.431 1.00 22.23 H new ATOM 0 HA LEU A 82 63.141 -19.125 -7.277 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.485 -19.759 -4.989 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.825 -18.647 -4.793 1.00 51.31 H new ATOM 0 HG LEU A 82 63.268 -16.748 -4.890 1.00 44.45 H new ATOM 0 HD11 LEU A 82 60.855 -17.091 -4.670 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.492 -17.669 -6.228 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.090 -18.833 -4.944 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.232 -17.101 -2.682 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.591 -18.840 -2.809 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.921 -17.659 -2.738 1.00 64.25 H new ATOM 1297 N GLY A 83 65.048 -16.486 -6.724 1.00 33.33 N ATOM 1298 CA GLY A 83 65.179 -15.087 -7.075 1.00 13.41 C ATOM 1299 C GLY A 83 65.528 -14.934 -8.522 1.00 23.02 C ATOM 1300 O GLY A 83 65.003 -14.048 -9.222 1.00 63.21 O ATOM 0 H GLY A 83 65.742 -16.830 -6.061 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.246 -14.565 -6.864 1.00 13.41 H new ATOM 0 HA3 GLY A 83 65.950 -14.623 -6.459 1.00 13.41 H new ATOM 1304 N ASP A 84 66.344 -15.862 -8.989 1.00 74.23 N ATOM 1305 CA ASP A 84 66.833 -15.869 -10.349 1.00 72.30 C ATOM 1306 C ASP A 84 65.663 -15.859 -11.307 1.00 60.45 C ATOM 1307 O ASP A 84 65.587 -14.994 -12.159 1.00 21.25 O ATOM 1308 CB ASP A 84 67.703 -17.102 -10.591 1.00 32.43 C ATOM 1309 CG ASP A 84 68.432 -17.050 -11.903 1.00 23.04 C ATOM 1310 OD1 ASP A 84 69.501 -16.397 -11.962 1.00 12.11 O ATOM 1311 OD2 ASP A 84 67.987 -17.680 -12.883 1.00 34.12 O ATOM 0 H ASP A 84 66.688 -16.639 -8.425 1.00 74.23 H new ATOM 0 HA ASP A 84 67.440 -14.979 -10.516 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.427 -17.195 -9.781 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.077 -17.994 -10.563 1.00 32.43 H new ATOM 1316 N LEU A 85 64.710 -16.763 -11.034 1.00 51.32 N ATOM 1317 CA LEU A 85 63.476 -17.030 -11.771 1.00 55.15 C ATOM 1318 C LEU A 85 62.587 -15.818 -11.871 1.00 45.10 C ATOM 1319 O LEU A 85 61.898 -15.625 -12.873 1.00 62.02 O ATOM 1320 CB LEU A 85 62.765 -18.094 -10.995 1.00 35.13 C ATOM 1321 CG LEU A 85 61.520 -18.687 -11.578 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.789 -19.326 -12.938 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.952 -19.693 -10.602 1.00 34.22 C ATOM 0 H LEU A 85 64.795 -17.375 -10.222 1.00 51.32 H new ATOM 0 HA LEU A 85 63.712 -17.325 -12.793 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.471 -18.907 -10.822 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.510 -17.680 -10.019 1.00 35.13 H new ATOM 0 HG LEU A 85 60.791 -17.894 -11.744 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.864 -19.746 -13.332 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.166 -18.570 -13.627 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.529 -20.118 -12.828 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.044 -20.131 -11.018 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.685 -20.480 -10.422 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.717 -19.195 -9.662 1.00 34.22 H new ATOM 1335 N PHE A 86 62.578 -15.009 -10.823 1.00 13.22 N ATOM 1336 CA PHE A 86 61.829 -13.752 -10.839 1.00 14.21 C ATOM 1337 C PHE A 86 62.453 -12.842 -11.858 1.00 25.43 C ATOM 1338 O PHE A 86 61.808 -11.981 -12.461 1.00 74.23 O ATOM 1339 CB PHE A 86 61.905 -13.094 -9.487 1.00 60.11 C ATOM 1340 CG PHE A 86 61.053 -11.852 -9.365 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.727 -11.867 -9.752 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.580 -10.676 -8.865 1.00 61.20 C ATOM 1343 CE1 PHE A 86 58.949 -10.739 -9.646 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.806 -9.546 -8.755 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.488 -9.578 -9.147 1.00 2.54 C ATOM 0 H PHE A 86 63.077 -15.195 -9.953 1.00 13.22 H new ATOM 0 HA PHE A 86 60.785 -13.948 -11.085 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.597 -13.811 -8.726 1.00 60.11 H new ATOM 0 HB3 PHE A 86 62.943 -12.834 -9.278 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.296 -12.777 -10.143 1.00 60.04 H new ATOM 0 HD2 PHE A 86 62.615 -10.645 -8.556 1.00 61.20 H new ATOM 0 HE1 PHE A 86 57.914 -10.765 -9.955 1.00 63.23 H new ATOM 0 HE2 PHE A 86 61.232 -8.635 -8.362 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.877 -8.691 -9.063 1.00 2.54 H new ATOM 1355 N GLY A 87 63.685 -13.099 -12.064 1.00 24.41 N ATOM 1356 CA GLY A 87 64.490 -12.370 -13.005 1.00 31.24 C ATOM 1357 C GLY A 87 65.329 -11.375 -12.307 1.00 3.13 C ATOM 1358 O GLY A 87 65.569 -10.277 -12.809 1.00 20.13 O ATOM 0 H GLY A 87 64.191 -13.839 -11.578 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.123 -13.060 -13.563 1.00 31.24 H new ATOM 0 HA3 GLY A 87 63.848 -11.869 -13.730 1.00 31.24 H new ATOM 1362 N VAL A 88 65.794 -11.762 -11.131 1.00 0.24 N ATOM 1363 CA VAL A 88 66.606 -10.877 -10.296 1.00 65.43 C ATOM 1364 C VAL A 88 67.675 -11.655 -9.537 1.00 62.04 C ATOM 1365 O VAL A 88 67.635 -12.876 -9.486 1.00 2.43 O ATOM 1366 CB VAL A 88 65.764 -10.073 -9.253 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.805 -9.086 -9.899 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.038 -10.995 -8.290 1.00 52.45 C ATOM 0 H VAL A 88 65.626 -12.684 -10.728 1.00 0.24 H new ATOM 0 HA VAL A 88 67.065 -10.174 -10.991 1.00 65.43 H new ATOM 0 HB VAL A 88 66.478 -9.482 -8.680 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.249 -8.559 -9.124 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.369 -8.367 -10.494 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.109 -9.623 -10.543 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.463 -10.400 -7.580 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.364 -11.646 -8.847 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.765 -11.602 -7.750 1.00 52.45 H new ATOM 1378 N PRO A 89 68.698 -10.974 -9.006 1.00 11.32 N ATOM 1379 CA PRO A 89 69.675 -11.596 -8.134 1.00 74.43 C ATOM 1380 C PRO A 89 69.301 -11.458 -6.645 1.00 61.01 C ATOM 1381 O PRO A 89 69.909 -12.109 -5.785 1.00 1.24 O ATOM 1382 CB PRO A 89 70.962 -10.807 -8.425 1.00 25.13 C ATOM 1383 CG PRO A 89 70.575 -9.750 -9.425 1.00 40.51 C ATOM 1384 CD PRO A 89 69.091 -9.600 -9.315 1.00 22.11 C ATOM 0 HA PRO A 89 69.757 -12.668 -8.316 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.360 -10.358 -7.515 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.739 -11.459 -8.825 1.00 25.13 H new ATOM 0 HG2 PRO A 89 71.079 -8.808 -9.211 1.00 40.51 H new ATOM 0 HG3 PRO A 89 70.863 -10.044 -10.434 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.804 -8.901 -8.529 1.00 22.11 H new ATOM 0 HD3 PRO A 89 68.642 -9.240 -10.241 1.00 22.11 H new ATOM 1392 N SER A 90 68.347 -10.564 -6.341 1.00 72.45 N ATOM 1393 CA SER A 90 67.865 -10.321 -4.974 1.00 0.12 C ATOM 1394 C SER A 90 66.455 -9.698 -5.028 1.00 72.25 C ATOM 1395 O SER A 90 66.129 -8.983 -5.989 1.00 42.34 O ATOM 1396 CB SER A 90 68.823 -9.356 -4.239 1.00 14.22 C ATOM 1397 OG SER A 90 70.165 -9.838 -4.259 1.00 32.43 O ATOM 0 H SER A 90 67.886 -9.986 -7.043 1.00 72.45 H new ATOM 0 HA SER A 90 67.828 -11.268 -4.436 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.781 -8.373 -4.708 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.495 -9.232 -3.207 1.00 14.22 H new ATOM 0 HG SER A 90 70.747 -9.206 -3.788 1.00 32.43 H new ATOM 1403 N PHE A 91 65.634 -9.961 -4.024 1.00 22.52 N ATOM 1404 CA PHE A 91 64.291 -9.420 -3.964 1.00 23.10 C ATOM 1405 C PHE A 91 63.953 -8.954 -2.555 1.00 42.12 C ATOM 1406 O PHE A 91 64.424 -9.525 -1.572 1.00 74.32 O ATOM 1407 CB PHE A 91 63.222 -10.410 -4.516 1.00 64.21 C ATOM 1408 CG PHE A 91 63.049 -11.761 -3.805 1.00 51.33 C ATOM 1409 CD1 PHE A 91 62.154 -11.905 -2.747 1.00 11.25 C ATOM 1410 CD2 PHE A 91 63.724 -12.898 -4.241 1.00 4.31 C ATOM 1411 CE1 PHE A 91 61.953 -13.122 -2.150 1.00 2.33 C ATOM 1412 CE2 PHE A 91 63.511 -14.114 -3.646 1.00 61.22 C ATOM 1413 CZ PHE A 91 62.625 -14.226 -2.600 1.00 72.40 C ATOM 0 H PHE A 91 65.881 -10.554 -3.232 1.00 22.52 H new ATOM 0 HA PHE A 91 64.268 -8.550 -4.620 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.258 -9.901 -4.503 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.462 -10.611 -5.560 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.609 -11.043 -2.391 1.00 11.25 H new ATOM 0 HD2 PHE A 91 64.425 -12.821 -5.059 1.00 4.31 H new ATOM 0 HE1 PHE A 91 61.263 -13.210 -1.323 1.00 2.33 H new ATOM 0 HE2 PHE A 91 64.040 -14.987 -3.999 1.00 61.22 H new ATOM 0 HZ PHE A 91 62.459 -15.186 -2.133 1.00 72.40 H new ATOM 1423 N SER A 92 63.175 -7.917 -2.458 1.00 13.21 N ATOM 1424 CA SER A 92 62.788 -7.381 -1.187 1.00 63.42 C ATOM 1425 C SER A 92 61.357 -7.751 -0.910 1.00 12.35 C ATOM 1426 O SER A 92 60.480 -7.568 -1.758 1.00 65.40 O ATOM 1427 CB SER A 92 62.962 -5.855 -1.160 1.00 64.34 C ATOM 1428 OG SER A 92 62.597 -5.301 0.111 1.00 72.34 O ATOM 0 H SER A 92 62.790 -7.418 -3.260 1.00 13.21 H new ATOM 0 HA SER A 92 63.430 -7.802 -0.413 1.00 63.42 H new ATOM 0 HB2 SER A 92 63.999 -5.603 -1.382 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.350 -5.405 -1.942 1.00 64.34 H new ATOM 0 HG SER A 92 62.794 -5.949 0.819 1.00 72.34 H new ATOM 1434 N VAL A 93 61.117 -8.253 0.276 1.00 15.21 N ATOM 1435 CA VAL A 93 59.786 -8.663 0.697 1.00 44.32 C ATOM 1436 C VAL A 93 58.872 -7.447 0.894 1.00 70.53 C ATOM 1437 O VAL A 93 57.660 -7.579 0.997 1.00 62.34 O ATOM 1438 CB VAL A 93 59.845 -9.457 2.012 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.775 -10.642 1.879 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.293 -8.560 3.141 1.00 71.25 C ATOM 0 H VAL A 93 61.837 -8.392 0.985 1.00 15.21 H new ATOM 0 HA VAL A 93 59.380 -9.297 -0.092 1.00 44.32 H new ATOM 0 HB VAL A 93 58.846 -9.831 2.236 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.802 -11.190 2.821 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.416 -11.299 1.087 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.778 -10.292 1.634 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.331 -9.133 4.068 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.283 -8.163 2.919 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.588 -7.736 3.253 1.00 71.25 H new ATOM 1450 N LYS A 94 59.475 -6.262 0.956 1.00 25.30 N ATOM 1451 CA LYS A 94 58.732 -5.034 1.143 1.00 34.12 C ATOM 1452 C LYS A 94 58.061 -4.630 -0.145 1.00 43.13 C ATOM 1453 O LYS A 94 57.143 -3.814 -0.152 1.00 62.22 O ATOM 1454 CB LYS A 94 59.635 -3.940 1.699 1.00 44.32 C ATOM 1455 CG LYS A 94 60.235 -4.322 3.042 1.00 11.41 C ATOM 1456 CD LYS A 94 59.176 -4.413 4.135 1.00 61.24 C ATOM 1457 CE LYS A 94 59.726 -5.103 5.373 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.800 -5.047 6.517 1.00 40.32 N ATOM 0 H LYS A 94 60.484 -6.134 0.878 1.00 25.30 H new ATOM 0 HA LYS A 94 57.945 -5.198 1.879 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.437 -3.736 0.989 1.00 44.32 H new ATOM 0 HB3 LYS A 94 59.063 -3.018 1.807 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.746 -5.281 2.951 1.00 11.41 H new ATOM 0 HG3 LYS A 94 60.987 -3.586 3.326 1.00 11.41 H new ATOM 0 HD2 LYS A 94 58.831 -3.412 4.396 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.311 -4.962 3.763 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.942 -6.145 5.137 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.671 -4.637 5.653 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.287 -5.378 7.374 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.480 -4.067 6.657 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.978 -5.656 6.329 1.00 40.32 H new ATOM 1472 N GLU A 95 58.507 -5.225 -1.221 1.00 41.22 N ATOM 1473 CA GLU A 95 57.884 -5.064 -2.480 1.00 25.25 C ATOM 1474 C GLU A 95 56.924 -6.183 -2.706 1.00 44.21 C ATOM 1475 O GLU A 95 57.204 -7.172 -3.384 1.00 11.24 O ATOM 1476 CB GLU A 95 58.862 -5.001 -3.572 1.00 62.12 C ATOM 1477 CG GLU A 95 59.588 -3.687 -3.665 1.00 1.24 C ATOM 1478 CD GLU A 95 58.638 -2.573 -4.032 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.309 -2.425 -5.232 1.00 35.23 O ATOM 1480 OE2 GLU A 95 58.178 -1.841 -3.149 1.00 30.24 O ATOM 0 H GLU A 95 59.322 -5.838 -1.233 1.00 41.22 H new ATOM 0 HA GLU A 95 57.348 -4.115 -2.474 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.592 -5.800 -3.439 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.351 -5.190 -4.516 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.067 -3.463 -2.712 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.380 -3.756 -4.411 1.00 1.24 H new ATOM 1487 N HIS A 96 55.820 -6.007 -2.112 1.00 61.03 N ATOM 1488 CA HIS A 96 54.724 -6.963 -2.081 1.00 22.11 C ATOM 1489 C HIS A 96 54.227 -7.276 -3.469 1.00 24.20 C ATOM 1490 O HIS A 96 53.969 -8.429 -3.775 1.00 4.12 O ATOM 1491 CB HIS A 96 53.543 -6.482 -1.206 1.00 0.11 C ATOM 1492 CG HIS A 96 53.794 -6.424 0.285 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.831 -6.749 1.226 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.878 -6.026 0.994 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.307 -6.550 2.435 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.553 -6.113 2.331 1.00 71.43 N ATOM 0 H HIS A 96 55.613 -5.153 -1.595 1.00 61.03 H new ATOM 0 HA HIS A 96 55.129 -7.870 -1.632 1.00 22.11 H new ATOM 0 HB2 HIS A 96 53.250 -5.487 -1.543 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.694 -7.142 -1.385 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.824 -5.700 0.586 1.00 64.43 H new ATOM 0 HE1 HIS A 96 52.772 -6.715 3.358 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.169 -5.880 3.110 1.00 71.43 H new ATOM 1504 N ARG A 97 54.137 -6.262 -4.336 1.00 61.45 N ATOM 1505 CA ARG A 97 53.627 -6.487 -5.685 1.00 2.00 C ATOM 1506 C ARG A 97 54.591 -7.376 -6.448 1.00 60.51 C ATOM 1507 O ARG A 97 54.175 -8.231 -7.216 1.00 63.44 O ATOM 1508 CB ARG A 97 53.370 -5.175 -6.447 1.00 25.22 C ATOM 1509 CG ARG A 97 52.649 -5.358 -7.786 1.00 31.52 C ATOM 1510 CD ARG A 97 51.242 -5.916 -7.583 1.00 61.22 C ATOM 1511 NE ARG A 97 50.535 -6.189 -8.842 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.256 -6.629 -8.926 1.00 35.43 C ATOM 1513 NH1 ARG A 97 48.501 -6.707 -7.832 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.736 -6.964 -10.105 1.00 50.15 N ATOM 0 H ARG A 97 54.405 -5.299 -4.131 1.00 61.45 H new ATOM 0 HA ARG A 97 52.661 -6.984 -5.598 1.00 2.00 H new ATOM 0 HB2 ARG A 97 52.778 -4.511 -5.816 1.00 25.22 H new ATOM 0 HB3 ARG A 97 54.324 -4.679 -6.625 1.00 25.22 H new ATOM 0 HG2 ARG A 97 52.592 -4.401 -8.305 1.00 31.52 H new ATOM 0 HG3 ARG A 97 53.222 -6.032 -8.422 1.00 31.52 H new ATOM 0 HD2 ARG A 97 51.305 -6.837 -7.003 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.660 -5.207 -6.994 1.00 61.22 H new ATOM 0 HE ARG A 97 51.042 -6.037 -9.714 1.00 52.14 H new ATOM 0 HH11 ARG A 97 48.885 -6.435 -6.927 1.00 32.04 H new ATOM 0 HH12 ARG A 97 47.539 -7.039 -7.899 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.301 -6.890 -10.951 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.773 -7.295 -10.162 1.00 50.15 H new ATOM 1528 N LYS A 98 55.877 -7.207 -6.171 1.00 3.30 N ATOM 1529 CA LYS A 98 56.916 -8.028 -6.774 1.00 1.24 C ATOM 1530 C LYS A 98 56.789 -9.444 -6.312 1.00 33.20 C ATOM 1531 O LYS A 98 56.926 -10.363 -7.107 1.00 63.32 O ATOM 1532 CB LYS A 98 58.334 -7.486 -6.513 1.00 62.12 C ATOM 1533 CG LYS A 98 58.767 -6.321 -7.414 1.00 4.31 C ATOM 1534 CD LYS A 98 57.856 -5.120 -7.291 1.00 4.22 C ATOM 1535 CE LYS A 98 58.365 -3.949 -8.112 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.604 -2.723 -7.829 1.00 63.10 N ATOM 0 H LYS A 98 56.227 -6.500 -5.525 1.00 3.30 H new ATOM 0 HA LYS A 98 56.769 -7.990 -7.853 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.396 -7.163 -5.474 1.00 62.12 H new ATOM 0 HB3 LYS A 98 59.046 -8.303 -6.636 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.785 -6.028 -7.158 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.783 -6.655 -8.451 1.00 4.31 H new ATOM 0 HD2 LYS A 98 56.852 -5.388 -7.621 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.779 -4.826 -6.244 1.00 4.22 H new ATOM 0 HE2 LYS A 98 59.420 -3.782 -7.895 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.292 -4.188 -9.173 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.741 -2.043 -8.604 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 56.593 -2.953 -7.745 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 57.939 -2.305 -6.938 1.00 63.10 H new ATOM 1550 N ILE A 99 56.458 -9.619 -5.051 1.00 54.20 N ATOM 1551 CA ILE A 99 56.261 -10.944 -4.498 1.00 3.41 C ATOM 1552 C ILE A 99 55.053 -11.582 -5.175 1.00 32.52 C ATOM 1553 O ILE A 99 55.099 -12.736 -5.590 1.00 34.24 O ATOM 1554 CB ILE A 99 56.019 -10.920 -2.967 1.00 74.14 C ATOM 1555 CG1 ILE A 99 57.044 -10.026 -2.244 1.00 62.20 C ATOM 1556 CG2 ILE A 99 56.055 -12.335 -2.403 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.494 -10.329 -2.544 1.00 13.25 C ATOM 0 H ILE A 99 56.319 -8.858 -4.386 1.00 54.20 H new ATOM 0 HA ILE A 99 57.171 -11.516 -4.679 1.00 3.41 H new ATOM 0 HB ILE A 99 55.031 -10.495 -2.794 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.845 -8.987 -2.508 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.886 -10.117 -1.169 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.884 -12.302 -1.327 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.278 -12.935 -2.876 1.00 53.21 H new ATOM 0 HG23 ILE A 99 57.029 -12.781 -2.602 1.00 53.21 H new ATOM 0 HD11 ILE A 99 59.132 -9.644 -1.986 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.719 -11.355 -2.252 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.678 -10.207 -3.611 1.00 13.25 H new ATOM 1569 N TYR A 100 53.986 -10.797 -5.333 1.00 43.11 N ATOM 1570 CA TYR A 100 52.782 -11.277 -5.997 1.00 15.13 C ATOM 1571 C TYR A 100 53.113 -11.680 -7.421 1.00 34.44 C ATOM 1572 O TYR A 100 52.754 -12.771 -7.849 1.00 3.54 O ATOM 1573 CB TYR A 100 51.643 -10.232 -6.029 1.00 21.14 C ATOM 1574 CG TYR A 100 51.253 -9.622 -4.690 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.466 -10.286 -3.483 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.710 -8.349 -4.641 1.00 64.34 C ATOM 1577 CE1 TYR A 100 51.139 -9.692 -2.280 1.00 71.11 C ATOM 1578 CE2 TYR A 100 50.392 -7.749 -3.447 1.00 62.13 C ATOM 1579 CZ TYR A 100 50.601 -8.413 -2.273 1.00 51.34 C ATOM 1580 OH TYR A 100 50.297 -7.783 -1.081 1.00 40.22 O ATOM 0 H TYR A 100 53.935 -9.831 -5.010 1.00 43.11 H new ATOM 0 HA TYR A 100 52.427 -12.129 -5.417 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.937 -9.425 -6.700 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.760 -10.701 -6.462 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.892 -11.278 -3.489 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.532 -7.816 -5.563 1.00 64.34 H new ATOM 0 HE1 TYR A 100 51.301 -10.219 -1.351 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.977 -6.752 -3.437 1.00 62.13 H new ATOM 0 HH TYR A 100 50.582 -8.346 -0.331 1.00 40.22 H new ATOM 1590 N THR A 101 53.839 -10.812 -8.134 1.00 71.31 N ATOM 1591 CA THR A 101 54.220 -11.079 -9.522 1.00 4.12 C ATOM 1592 C THR A 101 55.169 -12.269 -9.657 1.00 22.22 C ATOM 1593 O THR A 101 55.160 -12.969 -10.649 1.00 14.53 O ATOM 1594 CB THR A 101 54.809 -9.834 -10.238 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.882 -9.242 -9.474 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.727 -8.805 -10.508 1.00 55.24 C ATOM 0 H THR A 101 54.174 -9.919 -7.771 1.00 71.31 H new ATOM 0 HA THR A 101 53.288 -11.338 -10.024 1.00 4.12 H new ATOM 0 HB THR A 101 55.219 -10.169 -11.191 1.00 52.21 H new ATOM 0 HG1 THR A 101 56.141 -9.849 -8.749 1.00 1.34 H new ATOM 0 HG21 THR A 101 54.163 -7.942 -11.010 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.958 -9.244 -11.143 1.00 55.24 H new ATOM 0 HG23 THR A 101 53.282 -8.489 -9.565 1.00 55.24 H new ATOM 1604 N MET A 102 55.943 -12.503 -8.629 1.00 34.35 N ATOM 1605 CA MET A 102 56.920 -13.586 -8.572 1.00 63.42 C ATOM 1606 C MET A 102 56.199 -14.916 -8.560 1.00 13.22 C ATOM 1607 O MET A 102 56.601 -15.882 -9.226 1.00 73.13 O ATOM 1608 CB MET A 102 57.719 -13.406 -7.292 1.00 43.15 C ATOM 1609 CG MET A 102 58.939 -14.273 -7.118 1.00 11.42 C ATOM 1610 SD MET A 102 59.796 -13.877 -5.577 1.00 45.04 S ATOM 1611 CE MET A 102 59.988 -12.082 -5.726 1.00 54.24 C ATOM 0 H MET A 102 55.919 -11.937 -7.781 1.00 34.35 H new ATOM 0 HA MET A 102 57.582 -13.566 -9.438 1.00 63.42 H new ATOM 0 HB2 MET A 102 58.033 -12.364 -7.233 1.00 43.15 H new ATOM 0 HB3 MET A 102 57.052 -13.586 -6.449 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.647 -15.323 -7.117 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.615 -14.131 -7.962 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.388 -11.680 -4.795 1.00 54.24 H new ATOM 0 HE2 MET A 102 60.673 -11.856 -6.543 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.018 -11.628 -5.930 1.00 54.24 H new ATOM 1621 N ILE A 103 55.108 -14.927 -7.849 1.00 3.21 N ATOM 1622 CA ILE A 103 54.283 -16.097 -7.694 1.00 52.20 C ATOM 1623 C ILE A 103 53.385 -16.218 -8.915 1.00 5.52 C ATOM 1624 O ILE A 103 53.217 -17.284 -9.481 1.00 70.30 O ATOM 1625 CB ILE A 103 53.427 -15.965 -6.410 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.355 -15.819 -5.184 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.496 -17.165 -6.263 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.648 -15.478 -3.884 1.00 2.12 C ATOM 0 H ILE A 103 54.758 -14.109 -7.350 1.00 3.21 H new ATOM 0 HA ILE A 103 54.904 -16.988 -7.605 1.00 52.20 H new ATOM 0 HB ILE A 103 52.804 -15.074 -6.480 1.00 14.12 H new ATOM 0 HG12 ILE A 103 54.903 -16.751 -5.049 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.092 -15.044 -5.394 1.00 12.42 H new ATOM 0 HG21 ILE A 103 51.902 -17.056 -5.356 1.00 5.55 H new ATOM 0 HG22 ILE A 103 51.833 -17.219 -7.126 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.087 -18.079 -6.202 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.381 -15.396 -3.082 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.123 -14.529 -3.994 1.00 2.12 H new ATOM 0 HD13 ILE A 103 52.932 -16.263 -3.642 1.00 2.12 H new ATOM 1640 N TYR A 104 52.866 -15.089 -9.336 1.00 40.11 N ATOM 1641 CA TYR A 104 52.001 -14.983 -10.485 1.00 44.15 C ATOM 1642 C TYR A 104 52.705 -15.406 -11.783 1.00 13.14 C ATOM 1643 O TYR A 104 52.092 -16.000 -12.655 1.00 40.12 O ATOM 1644 CB TYR A 104 51.407 -13.566 -10.521 1.00 10.23 C ATOM 1645 CG TYR A 104 51.237 -12.936 -11.862 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.279 -12.224 -12.412 1.00 54.33 C ATOM 1647 CD2 TYR A 104 50.046 -13.015 -12.553 1.00 23.41 C ATOM 1648 CE1 TYR A 104 52.150 -11.601 -13.629 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.900 -12.402 -13.777 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.957 -11.692 -14.311 1.00 60.51 C ATOM 1651 OH TYR A 104 50.813 -11.062 -15.532 1.00 1.15 O ATOM 0 H TYR A 104 53.039 -14.195 -8.876 1.00 40.11 H new ATOM 0 HA TYR A 104 51.175 -15.688 -10.397 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.432 -13.595 -10.035 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.044 -12.917 -9.920 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.215 -12.154 -11.877 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.218 -13.564 -12.129 1.00 23.41 H new ATOM 0 HE1 TYR A 104 52.976 -11.045 -14.047 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.966 -12.476 -14.315 1.00 54.14 H new ATOM 0 HH TYR A 104 49.912 -11.226 -15.880 1.00 1.15 H new ATOM 1661 N ARG A 105 53.989 -15.129 -11.883 1.00 53.53 N ATOM 1662 CA ARG A 105 54.794 -15.549 -13.040 1.00 5.51 C ATOM 1663 C ARG A 105 54.933 -17.068 -13.058 1.00 13.24 C ATOM 1664 O ARG A 105 55.086 -17.693 -14.117 1.00 2.23 O ATOM 1665 CB ARG A 105 56.190 -14.898 -12.988 1.00 24.32 C ATOM 1666 CG ARG A 105 57.132 -15.310 -14.120 1.00 13.52 C ATOM 1667 CD ARG A 105 58.459 -14.573 -14.042 1.00 62.13 C ATOM 1668 NE ARG A 105 59.402 -15.010 -15.075 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.382 -14.257 -15.603 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.503 -12.969 -15.270 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.208 -14.785 -16.490 1.00 43.11 N ATOM 0 H ARG A 105 54.512 -14.611 -11.177 1.00 53.53 H new ATOM 0 HA ARG A 105 54.288 -15.225 -13.950 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.071 -13.815 -13.009 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.657 -15.149 -12.036 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.309 -16.385 -14.073 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.658 -15.106 -15.080 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.283 -13.502 -14.144 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.902 -14.731 -13.059 1.00 62.13 H new ATOM 0 HE ARG A 105 59.307 -15.964 -15.422 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.848 -12.549 -14.610 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.250 -12.405 -15.676 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.100 -15.760 -16.771 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.953 -14.218 -16.894 1.00 43.11 H new ATOM 1685 N ASN A 106 54.832 -17.653 -11.894 1.00 14.40 N ATOM 1686 CA ASN A 106 55.033 -19.077 -11.746 1.00 75.13 C ATOM 1687 C ASN A 106 53.755 -19.855 -11.616 1.00 64.35 C ATOM 1688 O ASN A 106 53.772 -21.058 -11.405 1.00 43.10 O ATOM 1689 CB ASN A 106 56.017 -19.413 -10.641 1.00 32.11 C ATOM 1690 CG ASN A 106 57.445 -19.173 -11.075 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.063 -20.045 -11.679 1.00 63.30 O ATOM 1692 ND2 ASN A 106 57.995 -18.016 -10.767 1.00 61.11 N ATOM 0 H ASN A 106 54.610 -17.164 -11.026 1.00 14.40 H new ATOM 0 HA ASN A 106 55.483 -19.400 -12.685 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.797 -18.808 -9.761 1.00 32.11 H new ATOM 0 HB3 ASN A 106 55.895 -20.456 -10.349 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.961 -17.824 -11.031 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.454 -17.312 -10.264 1.00 61.11 H new ATOM 1699 N LEU A 107 52.660 -19.187 -11.759 1.00 34.24 N ATOM 1700 CA LEU A 107 51.397 -19.869 -11.817 1.00 22.31 C ATOM 1701 C LEU A 107 50.911 -19.757 -13.237 1.00 22.33 C ATOM 1702 O LEU A 107 51.315 -18.833 -13.967 1.00 3.21 O ATOM 1703 CB LEU A 107 50.365 -19.312 -10.791 1.00 10.31 C ATOM 1704 CG LEU A 107 49.806 -17.902 -11.027 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.595 -17.914 -11.946 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.493 -17.202 -9.723 1.00 33.10 C ATOM 0 H LEU A 107 52.606 -18.171 -11.838 1.00 34.24 H new ATOM 0 HA LEU A 107 51.519 -20.915 -11.535 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.523 -20.004 -10.755 1.00 10.31 H new ATOM 0 HB3 LEU A 107 50.832 -19.326 -9.806 1.00 10.31 H new ATOM 0 HG LEU A 107 50.589 -17.334 -11.530 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.233 -16.895 -12.085 1.00 53.04 H new ATOM 0 HD12 LEU A 107 48.875 -18.334 -12.912 1.00 53.04 H new ATOM 0 HD13 LEU A 107 47.807 -18.522 -11.501 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.099 -16.207 -9.930 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.751 -17.778 -9.170 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.403 -17.116 -9.129 1.00 33.10 H new ATOM 1718 N VAL A 108 50.076 -20.637 -13.648 1.00 63.11 N ATOM 1719 CA VAL A 108 49.632 -20.600 -15.018 1.00 1.01 C ATOM 1720 C VAL A 108 48.192 -20.183 -15.130 1.00 71.42 C ATOM 1721 O VAL A 108 47.333 -20.616 -14.350 1.00 31.43 O ATOM 1722 CB VAL A 108 49.928 -21.892 -15.845 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.418 -22.141 -15.944 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.246 -23.106 -15.274 1.00 72.10 C ATOM 0 H VAL A 108 49.683 -21.386 -13.078 1.00 63.11 H new ATOM 0 HA VAL A 108 50.248 -19.830 -15.483 1.00 1.01 H new ATOM 0 HB VAL A 108 49.524 -21.721 -16.843 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.598 -23.046 -16.524 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.897 -21.294 -16.435 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.834 -22.263 -14.944 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.483 -23.977 -15.884 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.593 -23.272 -14.254 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.167 -22.949 -15.269 1.00 72.10 H new ATOM 1734 N VAL A 109 47.954 -19.301 -16.045 1.00 53.02 N ATOM 1735 CA VAL A 109 46.653 -18.796 -16.341 1.00 54.14 C ATOM 1736 C VAL A 109 46.435 -18.811 -17.836 1.00 41.24 C ATOM 1737 O VAL A 109 45.807 -19.746 -18.336 1.00 0.00 O ATOM 1738 CB VAL A 109 46.380 -17.386 -15.738 1.00 42.33 C ATOM 1739 CG1 VAL A 109 45.966 -17.504 -14.281 1.00 54.03 C ATOM 1740 CG2 VAL A 109 47.617 -16.533 -15.829 1.00 33.31 C ATOM 1741 OXT VAL A 109 46.978 -17.948 -18.538 1.00 0.00 O ATOM 0 H VAL A 109 48.687 -18.898 -16.628 1.00 53.02 H new ATOM 0 HA VAL A 109 45.931 -19.456 -15.860 1.00 54.14 H new ATOM 0 HB VAL A 109 45.574 -16.923 -16.307 1.00 42.33 H new ATOM 0 HG11 VAL A 109 45.779 -16.510 -13.874 1.00 54.03 H new ATOM 0 HG12 VAL A 109 45.058 -18.103 -14.208 1.00 54.03 H new ATOM 0 HG13 VAL A 109 46.764 -17.984 -13.714 1.00 54.03 H new ATOM 0 HG21 VAL A 109 47.413 -15.550 -15.404 1.00 33.31 H new ATOM 0 HG22 VAL A 109 48.427 -17.007 -15.275 1.00 33.31 H new ATOM 0 HG23 VAL A 109 47.907 -16.424 -16.874 1.00 33.31 H new TER 1751 VAL A 109 ATOM 1752 N ASP B 301 62.320 1.240 14.656 1.00 70.03 N ATOM 1753 CA ASP B 301 62.222 -0.137 15.176 1.00 40.31 C ATOM 1754 C ASP B 301 61.687 -1.077 14.122 1.00 43.41 C ATOM 1755 O ASP B 301 61.351 -2.223 14.413 1.00 3.22 O ATOM 1756 CB ASP B 301 61.331 -0.210 16.424 1.00 55.03 C ATOM 1757 CG ASP B 301 61.885 0.537 17.606 1.00 52.13 C ATOM 1758 OD1 ASP B 301 61.572 1.730 17.767 1.00 11.23 O ATOM 1759 OD2 ASP B 301 62.614 -0.058 18.412 1.00 23.31 O ATOM 0 HA ASP B 301 63.231 -0.443 15.452 1.00 40.31 H new ATOM 0 HB2 ASP B 301 60.347 0.190 16.181 1.00 55.03 H new ATOM 0 HB3 ASP B 301 61.191 -1.255 16.699 1.00 55.03 H new ATOM 1766 N GLY B 302 61.651 -0.625 12.889 1.00 32.14 N ATOM 1767 CA GLY B 302 61.092 -1.416 11.833 1.00 10.15 C ATOM 1768 C GLY B 302 62.097 -2.365 11.249 1.00 44.11 C ATOM 1769 O GLY B 302 62.634 -2.125 10.162 1.00 74.13 O ATOM 0 H GLY B 302 62.004 0.287 12.600 1.00 32.14 H new ATOM 0 HA2 GLY B 302 60.240 -1.979 12.214 1.00 10.15 H new ATOM 0 HA3 GLY B 302 60.715 -0.759 11.049 1.00 10.15 H new ATOM 1773 N GLY B 303 62.396 -3.402 11.987 1.00 50.33 N ATOM 1774 CA GLY B 303 63.293 -4.418 11.516 1.00 63.40 C ATOM 1775 C GLY B 303 62.523 -5.497 10.816 1.00 53.01 C ATOM 1776 O GLY B 303 62.857 -5.886 9.697 1.00 2.33 O ATOM 0 H GLY B 303 62.027 -3.563 12.924 1.00 50.33 H new ATOM 0 HA2 GLY B 303 64.025 -3.982 10.836 1.00 63.40 H new ATOM 0 HA3 GLY B 303 63.849 -4.841 12.353 1.00 63.40 H new ATOM 1780 N THR B 304 61.456 -5.931 11.473 1.00 72.21 N ATOM 1781 CA THR B 304 60.516 -6.954 11.023 1.00 53.02 C ATOM 1782 C THR B 304 61.158 -8.329 10.748 1.00 61.42 C ATOM 1783 O THR B 304 61.996 -8.490 9.858 1.00 41.25 O ATOM 1784 CB THR B 304 59.574 -6.469 9.866 1.00 73.35 C ATOM 1785 OG1 THR B 304 60.323 -5.943 8.745 1.00 53.13 O ATOM 1786 CG2 THR B 304 58.634 -5.391 10.374 1.00 11.42 C ATOM 0 H THR B 304 61.207 -5.557 12.389 1.00 72.21 H new ATOM 0 HA THR B 304 59.866 -7.121 11.882 1.00 53.02 H new ATOM 0 HB THR B 304 59.008 -7.337 9.528 1.00 73.35 H new ATOM 0 HG1 THR B 304 61.197 -6.385 8.699 1.00 53.13 H new ATOM 0 HG21 THR B 304 57.985 -5.062 9.562 1.00 11.42 H new ATOM 0 HG22 THR B 304 58.026 -5.791 11.185 1.00 11.42 H new ATOM 0 HG23 THR B 304 59.215 -4.544 10.740 1.00 11.42 H new ATOM 1794 N THR B 305 60.789 -9.303 11.545 1.00 33.52 N ATOM 1795 CA THR B 305 61.292 -10.640 11.389 1.00 3.31 C ATOM 1796 C THR B 305 60.685 -11.278 10.110 1.00 54.44 C ATOM 1797 O THR B 305 59.476 -11.095 9.817 1.00 34.54 O ATOM 1798 CB THR B 305 61.015 -11.501 12.676 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.667 -12.771 12.608 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.526 -11.716 12.915 1.00 31.13 C ATOM 0 H THR B 305 60.133 -9.188 12.317 1.00 33.52 H new ATOM 0 HA THR B 305 62.375 -10.607 11.267 1.00 3.31 H new ATOM 0 HB THR B 305 61.422 -10.932 13.512 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.476 -13.281 13.423 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.385 -12.316 13.814 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.035 -10.751 13.041 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.092 -12.235 12.061 1.00 31.13 H new ATOM 1808 N PHE B 306 61.518 -12.010 9.359 1.00 23.43 N ATOM 1809 CA PHE B 306 61.143 -12.613 8.069 1.00 31.21 C ATOM 1810 C PHE B 306 59.959 -13.545 8.252 1.00 61.12 C ATOM 1811 O PHE B 306 59.015 -13.558 7.450 1.00 3.43 O ATOM 1812 CB PHE B 306 62.352 -13.371 7.474 1.00 53.41 C ATOM 1813 CG PHE B 306 62.117 -13.970 6.117 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.051 -13.159 4.997 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.962 -15.340 5.962 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.836 -13.696 3.748 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.747 -15.887 4.714 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.683 -15.062 3.605 1.00 41.22 C ATOM 0 H PHE B 306 62.482 -12.203 9.631 1.00 23.43 H new ATOM 0 HA PHE B 306 60.852 -11.825 7.375 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.197 -12.685 7.411 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.638 -14.167 8.162 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.170 -12.091 5.105 1.00 42.23 H new ATOM 0 HD2 PHE B 306 62.010 -15.985 6.827 1.00 73.14 H new ATOM 0 HE1 PHE B 306 61.787 -13.052 2.882 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.629 -16.955 4.603 1.00 14.34 H new ATOM 0 HZ PHE B 306 61.513 -15.486 2.626 1.00 41.22 H new ATOM 1828 N GLU B 307 60.003 -14.253 9.357 1.00 22.24 N ATOM 1829 CA GLU B 307 59.003 -15.211 9.784 1.00 73.43 C ATOM 1830 C GLU B 307 57.589 -14.581 9.795 1.00 33.30 C ATOM 1831 O GLU B 307 56.589 -15.240 9.450 1.00 31.35 O ATOM 1832 CB GLU B 307 59.391 -15.670 11.186 1.00 34.14 C ATOM 1833 CG GLU B 307 58.546 -16.767 11.787 1.00 23.45 C ATOM 1834 CD GLU B 307 58.967 -17.045 13.199 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.894 -17.862 13.423 1.00 13.13 O ATOM 1836 OE2 GLU B 307 58.414 -16.425 14.116 1.00 53.15 O ATOM 0 H GLU B 307 60.776 -14.174 10.018 1.00 22.24 H new ATOM 0 HA GLU B 307 58.969 -16.052 9.092 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.426 -16.010 11.161 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.355 -14.807 11.851 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.495 -16.477 11.766 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.639 -17.674 11.189 1.00 23.45 H new ATOM 1843 N HIS B 308 57.513 -13.308 10.147 1.00 4.31 N ATOM 1844 CA HIS B 308 56.237 -12.627 10.233 1.00 63.23 C ATOM 1845 C HIS B 308 55.899 -11.988 8.915 1.00 43.42 C ATOM 1846 O HIS B 308 54.867 -12.286 8.330 1.00 4.03 O ATOM 1847 CB HIS B 308 56.255 -11.535 11.316 1.00 63.24 C ATOM 1848 CG HIS B 308 54.917 -10.839 11.517 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.731 -9.484 11.334 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.709 -11.324 11.902 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.482 -9.165 11.589 1.00 61.43 C ATOM 1852 NE2 HIS B 308 52.834 -10.262 11.938 1.00 65.13 N ATOM 0 H HIS B 308 58.320 -12.728 10.377 1.00 4.31 H new ATOM 0 HA HIS B 308 55.487 -13.374 10.494 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.567 -11.980 12.261 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.005 -10.789 11.053 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.477 -12.352 12.137 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.057 -8.174 11.524 1.00 61.43 H new ATOM 0 HE2 HIS B 308 51.848 -10.314 12.192 1.00 65.13 H new ATOM 1860 N LEU B 309 56.799 -11.145 8.445 1.00 64.14 N ATOM 1861 CA LEU B 309 56.557 -10.293 7.294 1.00 52.01 C ATOM 1862 C LEU B 309 56.186 -11.037 6.002 1.00 42.30 C ATOM 1863 O LEU B 309 55.287 -10.619 5.290 1.00 13.44 O ATOM 1864 CB LEU B 309 57.699 -9.248 7.111 1.00 30.00 C ATOM 1865 CG LEU B 309 59.172 -9.745 7.005 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.417 -10.561 5.772 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.136 -8.591 7.034 1.00 12.40 C ATOM 0 H LEU B 309 57.726 -11.031 8.854 1.00 64.14 H new ATOM 0 HA LEU B 309 55.647 -9.739 7.523 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.480 -8.676 6.209 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.646 -8.554 7.949 1.00 30.00 H new ATOM 0 HG LEU B 309 59.338 -10.384 7.872 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.459 -10.881 5.749 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.768 -11.437 5.780 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.203 -9.959 4.889 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.156 -8.967 6.958 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.932 -7.925 6.196 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.020 -8.043 7.969 1.00 12.40 H new ATOM 1879 N TRP B 310 56.813 -12.168 5.763 1.00 43.14 N ATOM 1880 CA TRP B 310 56.610 -12.901 4.535 1.00 14.01 C ATOM 1881 C TRP B 310 55.310 -13.668 4.601 1.00 31.23 C ATOM 1882 O TRP B 310 54.529 -13.691 3.652 1.00 14.12 O ATOM 1883 CB TRP B 310 57.808 -13.831 4.260 1.00 43.11 C ATOM 1884 CG TRP B 310 57.641 -14.696 3.051 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.080 -15.913 3.025 1.00 32.35 C ATOM 1886 CD2 TRP B 310 58.035 -14.415 1.706 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.076 -16.415 1.757 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.659 -15.526 0.927 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.658 -13.347 1.087 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.886 -15.599 -0.437 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.889 -13.411 -0.271 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.504 -14.532 -1.022 1.00 52.42 C ATOM 0 H TRP B 310 57.472 -12.602 6.409 1.00 43.14 H new ATOM 0 HA TRP B 310 56.543 -12.199 3.703 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.706 -13.224 4.139 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.968 -14.467 5.130 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.685 -16.426 3.890 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.693 -17.319 1.480 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.958 -12.479 1.656 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.587 -16.462 -1.013 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.375 -12.583 -0.766 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.701 -14.551 -2.084 1.00 52.42 H new ATOM 1903 N SER B 311 55.049 -14.233 5.749 1.00 14.42 N ATOM 1904 CA SER B 311 53.853 -15.006 5.958 1.00 14.14 C ATOM 1905 C SER B 311 52.618 -14.084 6.012 1.00 41.41 C ATOM 1906 O SER B 311 51.485 -14.533 5.900 1.00 31.14 O ATOM 1907 CB SER B 311 53.986 -15.780 7.270 1.00 42.43 C ATOM 1908 OG SER B 311 55.214 -16.517 7.322 1.00 14.24 O ATOM 0 H SER B 311 55.658 -14.171 6.565 1.00 14.42 H new ATOM 0 HA SER B 311 53.723 -15.702 5.130 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.941 -15.086 8.109 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.145 -16.465 7.377 1.00 42.43 H new ATOM 0 HG SER B 311 55.782 -16.156 8.034 1.00 14.24 H new ATOM 1914 N SER B 312 52.862 -12.799 6.151 1.00 1.11 N ATOM 1915 CA SER B 312 51.820 -11.834 6.323 1.00 11.44 C ATOM 1916 C SER B 312 51.775 -10.840 5.165 1.00 60.40 C ATOM 1917 O SER B 312 51.168 -9.786 5.290 1.00 41.34 O ATOM 1918 CB SER B 312 52.081 -11.084 7.627 1.00 21.31 C ATOM 1919 OG SER B 312 52.187 -11.991 8.719 1.00 22.34 O ATOM 0 H SER B 312 53.801 -12.400 6.147 1.00 1.11 H new ATOM 0 HA SER B 312 50.860 -12.350 6.350 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.999 -10.503 7.540 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.273 -10.377 7.813 1.00 21.31 H new ATOM 0 HG SER B 312 53.118 -12.282 8.814 1.00 22.34 H new ATOM 1925 N LEU B 313 52.367 -11.161 4.024 1.00 4.23 N ATOM 1926 CA LEU B 313 52.400 -10.162 2.976 1.00 14.51 C ATOM 1927 C LEU B 313 51.281 -10.343 1.974 1.00 52.23 C ATOM 1928 O LEU B 313 51.290 -9.749 0.909 1.00 52.02 O ATOM 1929 CB LEU B 313 53.809 -10.016 2.342 1.00 61.41 C ATOM 1930 CG LEU B 313 54.456 -11.221 1.656 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.777 -11.548 0.346 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.926 -10.951 1.437 1.00 23.23 C ATOM 0 H LEU B 313 52.808 -12.055 3.809 1.00 4.23 H new ATOM 0 HA LEU B 313 52.204 -9.197 3.444 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.755 -9.212 1.607 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.488 -9.684 3.128 1.00 61.41 H new ATOM 0 HG LEU B 313 54.339 -12.087 2.307 1.00 1.40 H new ATOM 0 HD11 LEU B 313 54.264 -12.409 -0.111 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.727 -11.779 0.528 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.849 -10.692 -0.325 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.385 -11.810 0.948 1.00 23.23 H new ATOM 0 HD22 LEU B 313 56.044 -10.069 0.807 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.411 -10.778 2.398 1.00 23.23 H new ATOM 1944 N GLU B 314 50.291 -11.119 2.360 1.00 50.02 N ATOM 1945 CA GLU B 314 49.137 -11.365 1.519 1.00 22.11 C ATOM 1946 C GLU B 314 48.313 -10.066 1.410 1.00 24.03 C ATOM 1947 O GLU B 314 48.279 -9.258 2.346 1.00 52.11 O ATOM 1948 CB GLU B 314 48.264 -12.509 2.098 1.00 41.12 C ATOM 1949 CG GLU B 314 47.628 -12.169 3.426 1.00 31.33 C ATOM 1950 CD GLU B 314 46.777 -13.281 4.005 1.00 73.45 C ATOM 1951 OE1 GLU B 314 45.581 -13.372 3.660 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.261 -14.050 4.848 1.00 13.23 O ATOM 0 H GLU B 314 50.262 -11.596 3.261 1.00 50.02 H new ATOM 0 HA GLU B 314 49.474 -11.673 0.529 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.480 -12.756 1.381 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.880 -13.401 2.217 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.413 -11.917 4.139 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.011 -11.279 3.304 1.00 31.33 H new ATOM 1959 N PRO B 315 47.685 -9.824 0.270 1.00 10.45 N ATOM 1960 CA PRO B 315 46.921 -8.609 0.061 1.00 54.32 C ATOM 1961 C PRO B 315 45.566 -8.638 0.768 1.00 3.22 C ATOM 1962 O PRO B 315 45.219 -7.716 1.519 1.00 2.51 O ATOM 1963 CB PRO B 315 46.752 -8.546 -1.465 1.00 25.23 C ATOM 1964 CG PRO B 315 46.906 -9.956 -1.948 1.00 44.42 C ATOM 1965 CD PRO B 315 47.686 -10.710 -0.900 1.00 62.12 C ATOM 0 HA PRO B 315 47.424 -7.735 0.475 1.00 54.32 H new ATOM 0 HB2 PRO B 315 45.775 -8.144 -1.735 1.00 25.23 H new ATOM 0 HB3 PRO B 315 47.500 -7.894 -1.915 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.931 -10.416 -2.105 1.00 44.42 H new ATOM 0 HG3 PRO B 315 47.427 -9.979 -2.905 1.00 44.42 H new ATOM 0 HD2 PRO B 315 47.220 -11.669 -0.672 1.00 62.12 H new ATOM 0 HD3 PRO B 315 48.701 -10.921 -1.237 1.00 62.12 H new ATOM 1973 N ASP B 316 44.839 -9.701 0.546 1.00 41.21 N ATOM 1974 CA ASP B 316 43.498 -9.887 1.041 1.00 41.22 C ATOM 1975 C ASP B 316 43.091 -11.291 0.732 1.00 10.30 C ATOM 1976 O ASP B 316 42.847 -12.068 1.656 1.00 0.00 O ATOM 1977 CB ASP B 316 42.535 -8.898 0.387 1.00 11.05 C ATOM 1978 CG ASP B 316 41.081 -9.204 0.662 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.614 -9.049 1.823 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.364 -9.587 -0.291 1.00 1.52 O ATOM 1981 OXT ASP B 316 43.160 -11.673 -0.450 1.00 0.00 O ATOM 0 H ASP B 316 45.176 -10.491 -0.005 1.00 41.21 H new ATOM 0 HA ASP B 316 43.468 -9.708 2.116 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.761 -7.893 0.744 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.701 -8.899 -0.690 1.00 11.05 H new TER 1986 ASP B 316