USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HD1:sc= 0.261 K(o=0.87,f=-5.1!) USER MOD Set 1.2: A 110 THR OG1 : rot 87:sc= 0.606 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -96:sc= 0.118 USER MOD Single : A 52 LYS NZ :NH3+ -141:sc= 1.19 (180deg=0.731) USER MOD Single : A 56 ASN : amide:sc= -0.474! C(o=-0.47!,f=-7.8!) USER MOD Single : A 65 GLN : amide:sc= 1.1! C(o=1.1!,f=-9.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.125 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.33) USER MOD Single : A 76 SER OG : rot -4:sc= 0.532 USER MOD Single : A 84 THR OG1 : rot 25:sc= 1.21 USER MOD Single : A 86 SER OG : rot -120:sc= -0.142 USER MOD Single : A 95 ASN : amide:sc= 0.797 K(o=0.8,f=-6!) USER MOD Single : A 106 SER OG : rot -28:sc= 1.22 USER MOD Single : A 108 ASN : amide:sc= -0.448 K(o=-0.45,f=-1.8) USER MOD Single : A 111 TYR OH : rot 62:sc= 1.07 USER MOD Single : A 113 ASN : amide:sc= 1.13 K(o=1.1,f=-2.4!) USER MOD Single : A 118 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.1!) USER MOD Single : A 120 GLN : amide:sc= -0.707 K(o=-0.71,f=-5.1!) USER MOD Single : A 122 MET CE :methyl -172:sc= -0.896 (180deg=-1) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 124 THR OG1 : rot -160:sc= 0.83 USER MOD Single : A 129 GLN : amide:sc= 0.68 K(o=0.68,f=-0.44) USER MOD Single : A 132 LYS NZ :NH3+ -152:sc= -1.59! (180deg=-2.94!) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 28.405 28.247 79.107 1.00 62.14 N ATOM 58 CA ASN A 5 29.469 27.275 79.124 1.00 54.12 C ATOM 59 C ASN A 5 29.032 26.058 78.345 1.00 51.43 C ATOM 60 O ASN A 5 28.323 25.183 78.867 1.00 52.34 O ATOM 61 CB ASN A 5 29.863 26.889 80.555 1.00 63.04 C ATOM 62 CG ASN A 5 31.054 25.936 80.616 1.00 65.40 C ATOM 63 OD1 ASN A 5 31.960 25.969 79.765 1.00 50.54 O ATOM 64 ND2 ASN A 5 31.068 25.089 81.610 1.00 75.10 N ATOM 0 HA ASN A 5 30.352 27.714 78.660 1.00 54.12 H new ATOM 0 HB2 ASN A 5 30.101 27.793 81.116 1.00 63.04 H new ATOM 0 HB3 ASN A 5 29.009 26.424 81.047 1.00 63.04 H new ATOM 0 HD21 ASN A 5 31.839 24.428 81.706 1.00 75.10 H new ATOM 0 HD22 ASN A 5 30.308 25.089 82.291 1.00 75.10 H new ATOM 71 N GLY A 6 29.365 26.046 77.081 1.00 44.03 N ATOM 72 CA GLY A 6 29.022 24.938 76.243 1.00 14.23 C ATOM 73 C GLY A 6 29.967 23.789 76.464 1.00 54.20 C ATOM 74 O GLY A 6 31.090 23.987 76.958 1.00 51.04 O ATOM 0 H GLY A 6 29.875 26.795 76.613 1.00 44.03 H new ATOM 0 HA2 GLY A 6 28.001 24.620 76.453 1.00 14.23 H new ATOM 0 HA3 GLY A 6 29.052 25.244 75.197 1.00 14.23 H new ATOM 78 N THR A 7 29.546 22.612 76.112 1.00 15.42 N ATOM 79 CA THR A 7 30.348 21.435 76.295 1.00 24.22 C ATOM 80 C THR A 7 31.465 21.392 75.242 1.00 44.24 C ATOM 81 O THR A 7 31.190 21.532 74.044 1.00 33.44 O ATOM 82 CB THR A 7 29.460 20.184 76.159 1.00 14.33 C ATOM 83 OG1 THR A 7 28.315 20.336 77.014 1.00 1.23 O ATOM 84 CG2 THR A 7 30.221 18.923 76.562 1.00 63.24 C ATOM 0 H THR A 7 28.635 22.438 75.688 1.00 15.42 H new ATOM 0 HA THR A 7 30.797 21.458 77.288 1.00 24.22 H new ATOM 0 HB THR A 7 29.154 20.083 75.118 1.00 14.33 H new ATOM 0 HG1 THR A 7 27.741 19.546 76.935 1.00 1.23 H new ATOM 0 HG21 THR A 7 29.570 18.055 76.456 1.00 63.24 H new ATOM 0 HG22 THR A 7 31.093 18.803 75.919 1.00 63.24 H new ATOM 0 HG23 THR A 7 30.545 19.009 77.599 1.00 63.24 H new ATOM 92 N PRO A 8 32.735 21.274 75.663 1.00 12.13 N ATOM 93 CA PRO A 8 33.839 21.122 74.726 1.00 71.43 C ATOM 94 C PRO A 8 33.674 19.805 73.967 1.00 74.00 C ATOM 95 O PRO A 8 33.487 18.747 74.581 1.00 51.23 O ATOM 96 CB PRO A 8 35.084 21.069 75.628 1.00 73.43 C ATOM 97 CG PRO A 8 34.643 21.639 76.931 1.00 41.44 C ATOM 98 CD PRO A 8 33.195 21.287 77.063 1.00 61.23 C ATOM 0 HA PRO A 8 33.896 21.920 73.986 1.00 71.43 H new ATOM 0 HB2 PRO A 8 35.442 20.046 75.746 1.00 73.43 H new ATOM 0 HB3 PRO A 8 35.904 21.647 75.202 1.00 73.43 H new ATOM 0 HG2 PRO A 8 35.223 21.224 77.755 1.00 41.44 H new ATOM 0 HG3 PRO A 8 34.786 22.719 76.953 1.00 41.44 H new ATOM 0 HD2 PRO A 8 33.056 20.319 77.544 1.00 61.23 H new ATOM 0 HD3 PRO A 8 32.653 22.020 77.660 1.00 61.23 H new ATOM 106 N GLU A 9 33.719 19.867 72.671 1.00 65.31 N ATOM 107 CA GLU A 9 33.510 18.708 71.859 1.00 44.43 C ATOM 108 C GLU A 9 34.811 17.959 71.562 1.00 31.32 C ATOM 109 O GLU A 9 35.886 18.578 71.469 1.00 60.41 O ATOM 110 CB GLU A 9 32.666 19.036 70.596 1.00 3.22 C ATOM 111 CG GLU A 9 33.050 20.305 69.814 1.00 60.53 C ATOM 112 CD GLU A 9 34.384 20.241 69.103 1.00 64.21 C ATOM 113 OE1 GLU A 9 34.489 19.541 68.088 1.00 44.42 O ATOM 114 OE2 GLU A 9 35.330 20.954 69.517 1.00 43.41 O ATOM 0 H GLU A 9 33.902 20.723 72.147 1.00 65.31 H new ATOM 0 HA GLU A 9 32.911 18.006 72.439 1.00 44.43 H new ATOM 0 HB2 GLU A 9 32.728 18.186 69.916 1.00 3.22 H new ATOM 0 HB3 GLU A 9 31.623 19.126 70.899 1.00 3.22 H new ATOM 0 HG2 GLU A 9 32.273 20.509 69.078 1.00 60.53 H new ATOM 0 HG3 GLU A 9 33.064 21.148 70.504 1.00 60.53 H new ATOM 121 N PRO A 10 34.759 16.619 71.500 1.00 53.52 N ATOM 122 CA PRO A 10 35.924 15.809 71.189 1.00 2.12 C ATOM 123 C PRO A 10 36.251 15.839 69.700 1.00 22.44 C ATOM 124 O PRO A 10 35.351 15.821 68.845 1.00 0.25 O ATOM 125 CB PRO A 10 35.517 14.381 71.610 1.00 53.22 C ATOM 126 CG PRO A 10 34.197 14.521 72.291 1.00 43.33 C ATOM 127 CD PRO A 10 33.581 15.773 71.758 1.00 44.54 C ATOM 0 HA PRO A 10 36.815 16.173 71.701 1.00 2.12 H new ATOM 0 HB2 PRO A 10 35.443 13.724 70.744 1.00 53.22 H new ATOM 0 HB3 PRO A 10 36.258 13.944 72.279 1.00 53.22 H new ATOM 0 HG2 PRO A 10 33.562 13.659 72.089 1.00 43.33 H new ATOM 0 HG3 PRO A 10 34.322 14.579 73.372 1.00 43.33 H new ATOM 0 HD2 PRO A 10 33.006 15.589 70.850 1.00 44.54 H new ATOM 0 HD3 PRO A 10 32.902 16.230 72.478 1.00 44.54 H new ATOM 135 N GLN A 11 37.521 15.868 69.402 1.00 72.24 N ATOM 136 CA GLN A 11 38.009 15.886 68.047 1.00 34.12 C ATOM 137 C GLN A 11 38.003 14.470 67.516 1.00 62.21 C ATOM 138 O GLN A 11 38.661 13.595 68.082 1.00 71.22 O ATOM 139 CB GLN A 11 39.442 16.428 68.021 1.00 45.15 C ATOM 140 CG GLN A 11 39.590 17.814 68.616 1.00 24.12 C ATOM 141 CD GLN A 11 41.023 18.291 68.645 1.00 42.33 C ATOM 142 OE1 GLN A 11 41.504 18.919 67.699 1.00 71.44 O ATOM 143 NE2 GLN A 11 41.708 18.020 69.722 1.00 11.01 N ATOM 0 H GLN A 11 38.260 15.880 70.105 1.00 72.24 H new ATOM 0 HA GLN A 11 37.374 16.524 67.433 1.00 34.12 H new ATOM 0 HB2 GLN A 11 40.089 15.740 68.565 1.00 45.15 H new ATOM 0 HB3 GLN A 11 39.793 16.448 66.989 1.00 45.15 H new ATOM 0 HG2 GLN A 11 38.990 18.518 68.039 1.00 24.12 H new ATOM 0 HG3 GLN A 11 39.192 17.813 69.631 1.00 24.12 H new ATOM 0 HE21 GLN A 11 41.275 17.498 70.484 1.00 11.01 H new ATOM 0 HE22 GLN A 11 42.676 18.330 69.802 1.00 11.01 H new ATOM 152 N VAL A 12 37.241 14.230 66.482 1.00 61.01 N ATOM 153 CA VAL A 12 37.190 12.913 65.888 1.00 54.35 C ATOM 154 C VAL A 12 38.460 12.673 65.065 1.00 4.12 C ATOM 155 O VAL A 12 38.782 13.436 64.143 1.00 60.24 O ATOM 156 CB VAL A 12 35.885 12.696 65.038 1.00 53.54 C ATOM 157 CG1 VAL A 12 35.742 13.725 63.917 1.00 32.34 C ATOM 158 CG2 VAL A 12 35.811 11.276 64.489 1.00 51.51 C ATOM 0 H VAL A 12 36.646 14.926 66.031 1.00 61.01 H new ATOM 0 HA VAL A 12 37.149 12.174 66.688 1.00 54.35 H new ATOM 0 HB VAL A 12 35.043 12.843 65.715 1.00 53.54 H new ATOM 0 HG11 VAL A 12 34.825 13.531 63.360 1.00 32.34 H new ATOM 0 HG12 VAL A 12 35.702 14.726 64.345 1.00 32.34 H new ATOM 0 HG13 VAL A 12 36.597 13.652 63.245 1.00 32.34 H new ATOM 0 HG21 VAL A 12 34.897 11.158 63.906 1.00 51.51 H new ATOM 0 HG22 VAL A 12 36.675 11.087 63.852 1.00 51.51 H new ATOM 0 HG23 VAL A 12 35.808 10.566 65.316 1.00 51.51 H new ATOM 168 N GLU A 13 39.220 11.679 65.444 1.00 71.14 N ATOM 169 CA GLU A 13 40.438 11.387 64.751 1.00 51.43 C ATOM 170 C GLU A 13 40.137 10.579 63.510 1.00 73.25 C ATOM 171 O GLU A 13 39.592 9.460 63.587 1.00 23.14 O ATOM 172 CB GLU A 13 41.425 10.636 65.649 1.00 40.14 C ATOM 173 CG GLU A 13 42.780 10.400 65.002 1.00 40.22 C ATOM 174 CD GLU A 13 43.494 11.690 64.686 1.00 10.23 C ATOM 175 OE1 GLU A 13 43.170 12.349 63.672 1.00 12.33 O ATOM 176 OE2 GLU A 13 44.382 12.083 65.454 1.00 32.04 O ATOM 0 H GLU A 13 39.014 11.061 66.229 1.00 71.14 H new ATOM 0 HA GLU A 13 40.904 12.330 64.465 1.00 51.43 H new ATOM 0 HB2 GLU A 13 41.566 11.200 66.571 1.00 40.14 H new ATOM 0 HB3 GLU A 13 40.992 9.675 65.926 1.00 40.14 H new ATOM 0 HG2 GLU A 13 43.399 9.798 65.668 1.00 40.22 H new ATOM 0 HG3 GLU A 13 42.648 9.826 64.085 1.00 40.22 H new ATOM 183 N THR A 14 40.513 11.111 62.396 1.00 35.01 N ATOM 184 CA THR A 14 40.272 10.488 61.150 1.00 10.23 C ATOM 185 C THR A 14 41.563 10.425 60.333 1.00 2.32 C ATOM 186 O THR A 14 42.191 11.453 60.030 1.00 55.54 O ATOM 187 CB THR A 14 39.108 11.195 60.384 1.00 73.32 C ATOM 188 OG1 THR A 14 38.931 10.623 59.082 1.00 41.31 O ATOM 189 CG2 THR A 14 39.318 12.702 60.280 1.00 21.51 C ATOM 0 H THR A 14 41.003 12.003 62.330 1.00 35.01 H new ATOM 0 HA THR A 14 39.947 9.462 61.322 1.00 10.23 H new ATOM 0 HB THR A 14 38.201 11.032 60.965 1.00 73.32 H new ATOM 0 HG1 THR A 14 38.196 11.080 58.621 1.00 41.31 H new ATOM 0 HG21 THR A 14 38.484 13.149 59.740 1.00 21.51 H new ATOM 0 HG22 THR A 14 39.374 13.131 61.280 1.00 21.51 H new ATOM 0 HG23 THR A 14 40.246 12.904 59.746 1.00 21.51 H new ATOM 197 N THR A 15 41.997 9.232 60.049 1.00 32.34 N ATOM 198 CA THR A 15 43.186 9.021 59.292 1.00 53.33 C ATOM 199 C THR A 15 42.863 8.813 57.812 1.00 71.44 C ATOM 200 O THR A 15 42.398 7.748 57.401 1.00 54.02 O ATOM 201 CB THR A 15 44.025 7.847 59.877 1.00 0.22 C ATOM 202 OG1 THR A 15 43.160 6.735 60.220 1.00 24.44 O ATOM 203 CG2 THR A 15 44.783 8.291 61.119 1.00 32.23 C ATOM 0 H THR A 15 41.529 8.374 60.341 1.00 32.34 H new ATOM 0 HA THR A 15 43.799 9.919 59.366 1.00 53.33 H new ATOM 0 HB THR A 15 44.740 7.534 59.117 1.00 0.22 H new ATOM 0 HG1 THR A 15 43.699 6.002 60.585 1.00 24.44 H new ATOM 0 HG21 THR A 15 45.362 7.455 61.510 1.00 32.23 H new ATOM 0 HG22 THR A 15 45.456 9.109 60.862 1.00 32.23 H new ATOM 0 HG23 THR A 15 44.075 8.628 61.876 1.00 32.23 H new ATOM 211 N SER A 16 43.051 9.849 57.028 1.00 11.33 N ATOM 212 CA SER A 16 42.809 9.767 55.617 1.00 3.11 C ATOM 213 C SER A 16 44.012 9.126 54.946 1.00 51.31 C ATOM 214 O SER A 16 45.082 9.745 54.808 1.00 62.43 O ATOM 215 CB SER A 16 42.517 11.154 55.021 1.00 3.15 C ATOM 216 OG SER A 16 42.274 11.079 53.622 1.00 23.11 O ATOM 0 H SER A 16 43.373 10.761 57.351 1.00 11.33 H new ATOM 0 HA SER A 16 41.927 9.152 55.440 1.00 3.11 H new ATOM 0 HB2 SER A 16 41.651 11.590 55.519 1.00 3.15 H new ATOM 0 HB3 SER A 16 43.361 11.817 55.210 1.00 3.15 H new ATOM 0 HG SER A 16 42.090 11.976 53.273 1.00 23.11 H new ATOM 222 N VAL A 17 43.865 7.887 54.603 1.00 72.23 N ATOM 223 CA VAL A 17 44.894 7.145 53.943 1.00 3.22 C ATOM 224 C VAL A 17 44.680 7.285 52.454 1.00 21.01 C ATOM 225 O VAL A 17 43.539 7.244 51.988 1.00 52.33 O ATOM 226 CB VAL A 17 44.838 5.643 54.342 1.00 3.24 C ATOM 227 CG1 VAL A 17 45.991 4.850 53.731 1.00 34.12 C ATOM 228 CG2 VAL A 17 44.826 5.496 55.856 1.00 55.15 C ATOM 0 H VAL A 17 43.014 7.352 54.776 1.00 72.23 H new ATOM 0 HA VAL A 17 45.871 7.531 54.234 1.00 3.22 H new ATOM 0 HB VAL A 17 43.912 5.229 53.942 1.00 3.24 H new ATOM 0 HG11 VAL A 17 45.915 3.806 54.034 1.00 34.12 H new ATOM 0 HG12 VAL A 17 45.943 4.917 52.644 1.00 34.12 H new ATOM 0 HG13 VAL A 17 46.939 5.261 54.078 1.00 34.12 H new ATOM 0 HG21 VAL A 17 44.787 4.439 56.119 1.00 55.15 H new ATOM 0 HG22 VAL A 17 45.731 5.940 56.272 1.00 55.15 H new ATOM 0 HG23 VAL A 17 43.952 6.004 56.264 1.00 55.15 H new ATOM 616 N GLY A 45 5.978 -14.982 2.323 1.00 71.11 N ATOM 617 CA GLY A 45 4.570 -14.831 2.547 1.00 62.31 C ATOM 618 C GLY A 45 4.183 -13.499 2.030 1.00 0.10 C ATOM 619 O GLY A 45 4.249 -12.519 2.746 1.00 54.01 O ATOM 0 HA2 GLY A 45 4.013 -15.618 2.038 1.00 62.31 H new ATOM 0 HA3 GLY A 45 4.339 -14.913 3.609 1.00 62.31 H new ATOM 623 N SER A 46 3.752 -13.466 0.818 1.00 35.12 N ATOM 624 CA SER A 46 3.609 -12.230 0.115 1.00 20.45 C ATOM 625 C SER A 46 2.220 -11.612 0.302 1.00 63.13 C ATOM 626 O SER A 46 1.220 -12.303 0.557 1.00 44.33 O ATOM 627 CB SER A 46 3.872 -12.494 -1.358 1.00 42.23 C ATOM 628 OG SER A 46 5.002 -13.364 -1.526 1.00 62.31 O ATOM 0 H SER A 46 3.487 -14.292 0.282 1.00 35.12 H new ATOM 0 HA SER A 46 4.325 -11.513 0.516 1.00 20.45 H new ATOM 0 HB2 SER A 46 2.990 -12.943 -1.815 1.00 42.23 H new ATOM 0 HB3 SER A 46 4.053 -11.551 -1.874 1.00 42.23 H new ATOM 0 HG SER A 46 5.805 -12.828 -1.694 1.00 62.31 H new ATOM 634 N ALA A 47 2.176 -10.323 0.184 1.00 73.33 N ATOM 635 CA ALA A 47 0.963 -9.557 0.307 1.00 74.15 C ATOM 636 C ALA A 47 0.912 -8.581 -0.845 1.00 61.51 C ATOM 637 O ALA A 47 1.913 -8.404 -1.525 1.00 13.31 O ATOM 638 CB ALA A 47 0.952 -8.823 1.633 1.00 62.54 C ATOM 0 H ALA A 47 3.001 -9.753 -0.005 1.00 73.33 H new ATOM 0 HA ALA A 47 0.090 -10.209 0.278 1.00 74.15 H new ATOM 0 HB1 ALA A 47 0.032 -8.245 1.721 1.00 62.54 H new ATOM 0 HB2 ALA A 47 1.007 -9.544 2.449 1.00 62.54 H new ATOM 0 HB3 ALA A 47 1.809 -8.151 1.684 1.00 62.54 H new ATOM 644 N LEU A 48 -0.216 -7.973 -1.086 1.00 72.34 N ATOM 645 CA LEU A 48 -0.330 -7.039 -2.180 1.00 25.12 C ATOM 646 C LEU A 48 -1.046 -5.766 -1.771 1.00 2.54 C ATOM 647 O LEU A 48 -1.914 -5.774 -0.884 1.00 14.24 O ATOM 648 CB LEU A 48 -0.924 -7.681 -3.498 1.00 25.05 C ATOM 649 CG LEU A 48 -2.363 -8.310 -3.517 1.00 23.33 C ATOM 650 CD1 LEU A 48 -2.545 -9.438 -2.513 1.00 42.52 C ATOM 651 CD2 LEU A 48 -3.464 -7.264 -3.401 1.00 15.24 C ATOM 0 H LEU A 48 -1.070 -8.104 -0.543 1.00 72.34 H new ATOM 0 HA LEU A 48 0.690 -6.755 -2.438 1.00 25.12 H new ATOM 0 HB2 LEU A 48 -0.904 -6.908 -4.266 1.00 25.05 H new ATOM 0 HB3 LEU A 48 -0.231 -8.461 -3.813 1.00 25.05 H new ATOM 0 HG LEU A 48 -2.460 -8.765 -4.503 1.00 23.33 H new ATOM 0 HD11 LEU A 48 -3.562 -9.825 -2.581 1.00 42.52 H new ATOM 0 HD12 LEU A 48 -1.837 -10.237 -2.731 1.00 42.52 H new ATOM 0 HD13 LEU A 48 -2.367 -9.061 -1.506 1.00 42.52 H new ATOM 0 HD21 LEU A 48 -4.437 -7.756 -3.420 1.00 15.24 H new ATOM 0 HD22 LEU A 48 -3.351 -6.719 -2.464 1.00 15.24 H new ATOM 0 HD23 LEU A 48 -3.394 -6.568 -4.237 1.00 15.24 H new ATOM 663 N LEU A 49 -0.667 -4.687 -2.385 1.00 35.03 N ATOM 664 CA LEU A 49 -1.299 -3.420 -2.166 1.00 74.12 C ATOM 665 C LEU A 49 -1.787 -2.890 -3.485 1.00 10.44 C ATOM 666 O LEU A 49 -1.124 -3.065 -4.515 1.00 2.11 O ATOM 667 CB LEU A 49 -0.389 -2.390 -1.396 1.00 4.11 C ATOM 668 CG LEU A 49 0.971 -1.881 -2.010 1.00 72.02 C ATOM 669 CD1 LEU A 49 1.933 -2.984 -2.349 1.00 54.43 C ATOM 670 CD2 LEU A 49 0.810 -0.912 -3.181 1.00 11.15 C ATOM 0 H LEU A 49 0.098 -4.660 -3.059 1.00 35.03 H new ATOM 0 HA LEU A 49 -2.150 -3.570 -1.502 1.00 74.12 H new ATOM 0 HB2 LEU A 49 -1.000 -1.508 -1.202 1.00 4.11 H new ATOM 0 HB3 LEU A 49 -0.155 -2.834 -0.429 1.00 4.11 H new ATOM 0 HG LEU A 49 1.414 -1.309 -1.195 1.00 72.02 H new ATOM 0 HD11 LEU A 49 2.845 -2.556 -2.766 1.00 54.43 H new ATOM 0 HD12 LEU A 49 2.175 -3.545 -1.447 1.00 54.43 H new ATOM 0 HD13 LEU A 49 1.478 -3.652 -3.080 1.00 54.43 H new ATOM 0 HD21 LEU A 49 1.793 -0.612 -3.543 1.00 11.15 H new ATOM 0 HD22 LEU A 49 0.261 -1.402 -3.986 1.00 11.15 H new ATOM 0 HD23 LEU A 49 0.260 -0.031 -2.851 1.00 11.15 H new ATOM 682 N VAL A 50 -2.941 -2.303 -3.473 1.00 72.40 N ATOM 683 CA VAL A 50 -3.544 -1.762 -4.677 1.00 54.12 C ATOM 684 C VAL A 50 -3.898 -0.314 -4.420 1.00 31.43 C ATOM 685 O VAL A 50 -4.482 0.006 -3.372 1.00 72.13 O ATOM 686 CB VAL A 50 -4.855 -2.528 -5.063 1.00 10.20 C ATOM 687 CG1 VAL A 50 -5.414 -2.054 -6.402 1.00 71.50 C ATOM 688 CG2 VAL A 50 -4.657 -4.043 -5.060 1.00 22.12 C ATOM 0 H VAL A 50 -3.504 -2.178 -2.632 1.00 72.40 H new ATOM 0 HA VAL A 50 -2.832 -1.866 -5.496 1.00 54.12 H new ATOM 0 HB VAL A 50 -5.590 -2.293 -4.293 1.00 10.20 H new ATOM 0 HG11 VAL A 50 -6.323 -2.609 -6.634 1.00 71.50 H new ATOM 0 HG12 VAL A 50 -5.644 -0.990 -6.344 1.00 71.50 H new ATOM 0 HG13 VAL A 50 -4.675 -2.224 -7.185 1.00 71.50 H new ATOM 0 HG21 VAL A 50 -5.592 -4.533 -5.333 1.00 22.12 H new ATOM 0 HG22 VAL A 50 -3.883 -4.310 -5.780 1.00 22.12 H new ATOM 0 HG23 VAL A 50 -4.354 -4.368 -4.065 1.00 22.12 H new ATOM 698 N VAL A 51 -3.565 0.562 -5.340 1.00 30.33 N ATOM 699 CA VAL A 51 -3.926 1.948 -5.171 1.00 20.45 C ATOM 700 C VAL A 51 -5.249 2.124 -5.849 1.00 1.12 C ATOM 701 O VAL A 51 -5.371 1.952 -7.061 1.00 61.53 O ATOM 702 CB VAL A 51 -2.870 2.926 -5.774 1.00 1.34 C ATOM 703 CG1 VAL A 51 -3.240 4.366 -5.437 1.00 21.10 C ATOM 704 CG2 VAL A 51 -1.484 2.604 -5.233 1.00 23.55 C ATOM 0 H VAL A 51 -3.055 0.345 -6.196 1.00 30.33 H new ATOM 0 HA VAL A 51 -3.974 2.189 -4.109 1.00 20.45 H new ATOM 0 HB VAL A 51 -2.860 2.806 -6.857 1.00 1.34 H new ATOM 0 HG11 VAL A 51 -2.497 5.041 -5.862 1.00 21.10 H new ATOM 0 HG12 VAL A 51 -4.221 4.597 -5.853 1.00 21.10 H new ATOM 0 HG13 VAL A 51 -3.267 4.491 -4.355 1.00 21.10 H new ATOM 0 HG21 VAL A 51 -0.757 3.294 -5.662 1.00 23.55 H new ATOM 0 HG22 VAL A 51 -1.484 2.705 -4.148 1.00 23.55 H new ATOM 0 HG23 VAL A 51 -1.217 1.582 -5.502 1.00 23.55 H new ATOM 714 N LYS A 52 -6.243 2.436 -5.052 1.00 41.40 N ATOM 715 CA LYS A 52 -7.592 2.479 -5.534 1.00 24.54 C ATOM 716 C LYS A 52 -7.883 3.842 -6.132 1.00 64.44 C ATOM 717 O LYS A 52 -8.650 3.962 -7.085 1.00 74.41 O ATOM 718 CB LYS A 52 -8.561 2.158 -4.385 1.00 30.42 C ATOM 719 CG LYS A 52 -9.903 1.589 -4.833 1.00 31.21 C ATOM 720 CD LYS A 52 -10.820 1.277 -3.648 1.00 44.13 C ATOM 721 CE LYS A 52 -11.407 2.533 -3.023 1.00 1.21 C ATOM 722 NZ LYS A 52 -12.178 2.233 -1.804 1.00 34.14 N ATOM 0 H LYS A 52 -6.136 2.664 -4.064 1.00 41.40 H new ATOM 0 HA LYS A 52 -7.727 1.731 -6.315 1.00 24.54 H new ATOM 0 HB2 LYS A 52 -8.084 1.445 -3.712 1.00 30.42 H new ATOM 0 HB3 LYS A 52 -8.739 3.068 -3.811 1.00 30.42 H new ATOM 0 HG2 LYS A 52 -10.396 2.302 -5.495 1.00 31.21 H new ATOM 0 HG3 LYS A 52 -9.736 0.680 -5.411 1.00 31.21 H new ATOM 0 HD2 LYS A 52 -11.630 0.627 -3.980 1.00 44.13 H new ATOM 0 HD3 LYS A 52 -10.259 0.727 -2.893 1.00 44.13 H new ATOM 0 HE2 LYS A 52 -10.603 3.228 -2.782 1.00 1.21 H new ATOM 0 HE3 LYS A 52 -12.052 3.031 -3.747 1.00 1.21 H new ATOM 0 HZ1 LYS A 52 -13.026 2.834 -1.773 1.00 34.14 H new ATOM 0 HZ2 LYS A 52 -12.462 1.233 -1.810 1.00 34.14 H new ATOM 0 HZ3 LYS A 52 -11.590 2.420 -0.967 1.00 34.14 H new ATOM 736 N ARG A 53 -7.249 4.867 -5.593 1.00 64.55 N ATOM 737 CA ARG A 53 -7.458 6.220 -6.068 1.00 61.42 C ATOM 738 C ARG A 53 -6.289 7.082 -5.659 1.00 63.42 C ATOM 739 O ARG A 53 -5.767 6.918 -4.550 1.00 63.04 O ATOM 740 CB ARG A 53 -8.776 6.783 -5.495 1.00 23.33 C ATOM 741 CG ARG A 53 -9.110 8.214 -5.909 1.00 72.02 C ATOM 742 CD ARG A 53 -10.462 8.638 -5.359 1.00 43.12 C ATOM 743 NE ARG A 53 -10.809 10.027 -5.705 1.00 14.34 N ATOM 744 CZ ARG A 53 -12.062 10.497 -5.825 1.00 60.12 C ATOM 745 NH1 ARG A 53 -13.102 9.683 -5.721 1.00 61.32 N ATOM 746 NH2 ARG A 53 -12.264 11.777 -6.074 1.00 24.32 N ATOM 0 H ARG A 53 -6.584 4.787 -4.824 1.00 64.55 H new ATOM 0 HA ARG A 53 -7.531 6.217 -7.156 1.00 61.42 H new ATOM 0 HB2 ARG A 53 -9.594 6.133 -5.804 1.00 23.33 H new ATOM 0 HB3 ARG A 53 -8.728 6.739 -4.407 1.00 23.33 H new ATOM 0 HG2 ARG A 53 -8.337 8.891 -5.546 1.00 72.02 H new ATOM 0 HG3 ARG A 53 -9.116 8.290 -6.996 1.00 72.02 H new ATOM 0 HD2 ARG A 53 -11.232 7.969 -5.744 1.00 43.12 H new ATOM 0 HD3 ARG A 53 -10.458 8.529 -4.275 1.00 43.12 H new ATOM 0 HE ARG A 53 -10.042 10.680 -5.865 1.00 14.34 H new ATOM 0 HH11 ARG A 53 -12.956 8.688 -5.548 1.00 61.32 H new ATOM 0 HH12 ARG A 53 -14.049 10.051 -5.814 1.00 61.32 H new ATOM 0 HH21 ARG A 53 -11.469 12.408 -6.175 1.00 24.32 H new ATOM 0 HH22 ARG A 53 -13.215 12.135 -6.165 1.00 24.32 H new ATOM 760 N GLY A 54 -5.852 7.957 -6.544 1.00 4.10 N ATOM 761 CA GLY A 54 -4.790 8.862 -6.208 1.00 32.25 C ATOM 762 C GLY A 54 -3.692 8.953 -7.254 1.00 4.23 C ATOM 763 O GLY A 54 -3.421 7.982 -7.949 1.00 43.33 O ATOM 0 H GLY A 54 -6.217 8.054 -7.491 1.00 4.10 H new ATOM 0 HA2 GLY A 54 -5.211 9.855 -6.052 1.00 32.25 H new ATOM 0 HA3 GLY A 54 -4.349 8.551 -5.261 1.00 32.25 H new ATOM 767 N PRO A 55 -3.039 10.135 -7.390 1.00 1.40 N ATOM 768 CA PRO A 55 -1.867 10.341 -8.275 1.00 30.11 C ATOM 769 C PRO A 55 -0.643 9.537 -7.821 1.00 41.34 C ATOM 770 O PRO A 55 0.395 9.528 -8.497 1.00 32.42 O ATOM 771 CB PRO A 55 -1.588 11.846 -8.167 1.00 5.42 C ATOM 772 CG PRO A 55 -2.863 12.421 -7.680 1.00 61.41 C ATOM 773 CD PRO A 55 -3.434 11.394 -6.761 1.00 14.43 C ATOM 0 HA PRO A 55 -2.068 10.006 -9.293 1.00 30.11 H new ATOM 0 HB2 PRO A 55 -0.770 12.050 -7.476 1.00 5.42 H new ATOM 0 HB3 PRO A 55 -1.304 12.268 -9.131 1.00 5.42 H new ATOM 0 HG2 PRO A 55 -2.696 13.364 -7.160 1.00 61.41 H new ATOM 0 HG3 PRO A 55 -3.542 12.629 -8.507 1.00 61.41 H new ATOM 0 HD2 PRO A 55 -3.030 11.486 -5.753 1.00 14.43 H new ATOM 0 HD3 PRO A 55 -4.517 11.482 -6.680 1.00 14.43 H new ATOM 781 N ASN A 56 -0.765 8.937 -6.626 1.00 31.42 N ATOM 782 CA ASN A 56 0.237 8.027 -6.054 1.00 55.14 C ATOM 783 C ASN A 56 0.614 6.994 -7.104 1.00 0.32 C ATOM 784 O ASN A 56 1.779 6.889 -7.505 1.00 74.25 O ATOM 785 CB ASN A 56 -0.365 7.277 -4.833 1.00 4.20 C ATOM 786 CG ASN A 56 -0.797 8.191 -3.700 1.00 11.25 C ATOM 787 OD1 ASN A 56 -0.240 9.238 -3.498 1.00 55.24 O ATOM 788 ND2 ASN A 56 -1.796 7.800 -2.967 1.00 45.51 N ATOM 0 H ASN A 56 -1.575 9.073 -6.022 1.00 31.42 H new ATOM 0 HA ASN A 56 1.108 8.603 -5.742 1.00 55.14 H new ATOM 0 HB2 ASN A 56 -1.225 6.695 -5.165 1.00 4.20 H new ATOM 0 HB3 ASN A 56 0.372 6.569 -4.454 1.00 4.20 H new ATOM 0 HD21 ASN A 56 -2.125 8.385 -2.199 1.00 45.51 H new ATOM 0 HD22 ASN A 56 -2.251 6.908 -3.159 1.00 45.51 H new ATOM 795 N ALA A 57 -0.411 6.286 -7.592 1.00 23.54 N ATOM 796 CA ALA A 57 -0.294 5.255 -8.601 1.00 70.14 C ATOM 797 C ALA A 57 -1.691 4.712 -8.883 1.00 62.34 C ATOM 798 O ALA A 57 -2.680 5.254 -8.393 1.00 54.34 O ATOM 799 CB ALA A 57 0.633 4.117 -8.140 1.00 11.31 C ATOM 0 H ALA A 57 -1.371 6.428 -7.278 1.00 23.54 H new ATOM 0 HA ALA A 57 0.144 5.681 -9.503 1.00 70.14 H new ATOM 0 HB1 ALA A 57 0.697 3.361 -8.922 1.00 11.31 H new ATOM 0 HB2 ALA A 57 1.627 4.516 -7.939 1.00 11.31 H new ATOM 0 HB3 ALA A 57 0.232 3.666 -7.232 1.00 11.31 H new ATOM 805 N GLY A 58 -1.762 3.671 -9.647 1.00 1.22 N ATOM 806 CA GLY A 58 -3.007 3.021 -9.969 1.00 72.25 C ATOM 807 C GLY A 58 -2.709 1.604 -10.291 1.00 41.04 C ATOM 808 O GLY A 58 -3.378 0.955 -11.101 1.00 25.32 O ATOM 0 H GLY A 58 -0.946 3.235 -10.076 1.00 1.22 H new ATOM 0 HA2 GLY A 58 -3.699 3.084 -9.129 1.00 72.25 H new ATOM 0 HA3 GLY A 58 -3.487 3.512 -10.816 1.00 72.25 H new ATOM 812 N ALA A 59 -1.679 1.129 -9.654 1.00 63.33 N ATOM 813 CA ALA A 59 -1.163 -0.165 -9.882 1.00 34.22 C ATOM 814 C ALA A 59 -1.300 -0.971 -8.620 1.00 61.41 C ATOM 815 O ALA A 59 -1.803 -0.472 -7.593 1.00 1.30 O ATOM 816 CB ALA A 59 0.300 -0.066 -10.300 1.00 34.12 C ATOM 0 H ALA A 59 -1.169 1.655 -8.944 1.00 63.33 H new ATOM 0 HA ALA A 59 -1.717 -0.656 -10.682 1.00 34.22 H new ATOM 0 HB1 ALA A 59 0.697 -1.066 -10.476 1.00 34.12 H new ATOM 0 HB2 ALA A 59 0.378 0.521 -11.215 1.00 34.12 H new ATOM 0 HB3 ALA A 59 0.873 0.418 -9.509 1.00 34.12 H new ATOM 822 N ARG A 60 -0.861 -2.178 -8.686 1.00 13.10 N ATOM 823 CA ARG A 60 -0.912 -3.086 -7.592 1.00 60.44 C ATOM 824 C ARG A 60 0.387 -3.838 -7.542 1.00 43.20 C ATOM 825 O ARG A 60 0.847 -4.359 -8.554 1.00 2.41 O ATOM 826 CB ARG A 60 -2.143 -3.994 -7.753 1.00 43.33 C ATOM 827 CG ARG A 60 -2.395 -4.414 -9.192 1.00 54.30 C ATOM 828 CD ARG A 60 -3.777 -4.997 -9.386 1.00 23.21 C ATOM 829 NE ARG A 60 -4.128 -5.002 -10.811 1.00 63.14 N ATOM 830 CZ ARG A 60 -5.366 -5.041 -11.308 1.00 23.34 C ATOM 831 NH1 ARG A 60 -6.391 -5.360 -10.534 1.00 1.43 N ATOM 832 NH2 ARG A 60 -5.558 -4.817 -12.597 1.00 23.32 N ATOM 0 H ARG A 60 -0.443 -2.574 -9.528 1.00 13.10 H new ATOM 0 HA ARG A 60 -1.026 -2.572 -6.638 1.00 60.44 H new ATOM 0 HB2 ARG A 60 -2.012 -4.885 -7.139 1.00 43.33 H new ATOM 0 HB3 ARG A 60 -3.022 -3.473 -7.374 1.00 43.33 H new ATOM 0 HG2 ARG A 60 -2.272 -3.551 -9.847 1.00 54.30 H new ATOM 0 HG3 ARG A 60 -1.648 -5.150 -9.490 1.00 54.30 H new ATOM 0 HD2 ARG A 60 -3.810 -6.013 -8.992 1.00 23.21 H new ATOM 0 HD3 ARG A 60 -4.508 -4.414 -8.826 1.00 23.21 H new ATOM 0 HE ARG A 60 -3.359 -4.973 -11.480 1.00 63.14 H new ATOM 0 HH11 ARG A 60 -6.238 -5.578 -9.549 1.00 1.43 H new ATOM 0 HH12 ARG A 60 -7.334 -5.387 -10.922 1.00 1.43 H new ATOM 0 HH21 ARG A 60 -4.763 -4.616 -13.204 1.00 23.32 H new ATOM 0 HH22 ARG A 60 -6.501 -4.845 -12.985 1.00 23.32 H new ATOM 846 N PHE A 61 0.974 -3.897 -6.387 1.00 74.35 N ATOM 847 CA PHE A 61 2.300 -4.457 -6.250 1.00 3.53 C ATOM 848 C PHE A 61 2.298 -5.604 -5.283 1.00 1.40 C ATOM 849 O PHE A 61 1.508 -5.624 -4.331 1.00 31.12 O ATOM 850 CB PHE A 61 3.304 -3.389 -5.782 1.00 41.21 C ATOM 851 CG PHE A 61 3.463 -2.212 -6.713 1.00 32.21 C ATOM 852 CD1 PHE A 61 4.375 -2.256 -7.753 1.00 52.51 C ATOM 853 CD2 PHE A 61 2.704 -1.060 -6.541 1.00 33.52 C ATOM 854 CE1 PHE A 61 4.527 -1.178 -8.605 1.00 5.24 C ATOM 855 CE2 PHE A 61 2.853 0.020 -7.387 1.00 43.23 C ATOM 856 CZ PHE A 61 3.766 -0.038 -8.423 1.00 23.15 C ATOM 0 H PHE A 61 0.560 -3.565 -5.516 1.00 74.35 H new ATOM 0 HA PHE A 61 2.605 -4.821 -7.231 1.00 3.53 H new ATOM 0 HB2 PHE A 61 2.991 -3.021 -4.805 1.00 41.21 H new ATOM 0 HB3 PHE A 61 4.277 -3.861 -5.648 1.00 41.21 H new ATOM 0 HD1 PHE A 61 4.974 -3.142 -7.901 1.00 52.51 H new ATOM 0 HD2 PHE A 61 1.988 -1.010 -5.734 1.00 33.52 H new ATOM 0 HE1 PHE A 61 5.241 -1.226 -9.414 1.00 5.24 H new ATOM 0 HE2 PHE A 61 2.257 0.909 -7.240 1.00 43.23 H new ATOM 0 HZ PHE A 61 3.885 0.804 -9.088 1.00 23.15 H new ATOM 866 N LEU A 62 3.165 -6.542 -5.532 1.00 55.13 N ATOM 867 CA LEU A 62 3.328 -7.697 -4.700 1.00 32.13 C ATOM 868 C LEU A 62 4.518 -7.461 -3.779 1.00 72.23 C ATOM 869 O LEU A 62 5.658 -7.282 -4.235 1.00 63.42 O ATOM 870 CB LEU A 62 3.505 -8.961 -5.598 1.00 53.22 C ATOM 871 CG LEU A 62 3.587 -10.356 -4.921 1.00 54.33 C ATOM 872 CD1 LEU A 62 3.341 -11.436 -5.958 1.00 21.41 C ATOM 873 CD2 LEU A 62 4.957 -10.602 -4.289 1.00 50.30 C ATOM 0 H LEU A 62 3.792 -6.524 -6.337 1.00 55.13 H new ATOM 0 HA LEU A 62 2.449 -7.867 -4.079 1.00 32.13 H new ATOM 0 HB2 LEU A 62 2.673 -8.985 -6.302 1.00 53.22 H new ATOM 0 HB3 LEU A 62 4.414 -8.825 -6.184 1.00 53.22 H new ATOM 0 HG LEU A 62 2.830 -10.385 -4.137 1.00 54.33 H new ATOM 0 HD11 LEU A 62 3.398 -12.416 -5.484 1.00 21.41 H new ATOM 0 HD12 LEU A 62 2.352 -11.302 -6.395 1.00 21.41 H new ATOM 0 HD13 LEU A 62 4.096 -11.367 -6.741 1.00 21.41 H new ATOM 0 HD21 LEU A 62 4.972 -11.589 -3.826 1.00 50.30 H new ATOM 0 HD22 LEU A 62 5.727 -10.550 -5.058 1.00 50.30 H new ATOM 0 HD23 LEU A 62 5.150 -9.843 -3.531 1.00 50.30 H new ATOM 885 N LEU A 63 4.250 -7.437 -2.510 1.00 30.13 N ATOM 886 CA LEU A 63 5.256 -7.230 -1.507 1.00 4.24 C ATOM 887 C LEU A 63 5.810 -8.552 -1.071 1.00 24.10 C ATOM 888 O LEU A 63 5.081 -9.409 -0.552 1.00 31.13 O ATOM 889 CB LEU A 63 4.681 -6.489 -0.302 1.00 44.20 C ATOM 890 CG LEU A 63 4.133 -5.100 -0.577 1.00 74.14 C ATOM 891 CD1 LEU A 63 3.512 -4.521 0.677 1.00 3.12 C ATOM 892 CD2 LEU A 63 5.228 -4.181 -1.106 1.00 61.35 C ATOM 0 H LEU A 63 3.311 -7.563 -2.133 1.00 30.13 H new ATOM 0 HA LEU A 63 6.052 -6.621 -1.936 1.00 4.24 H new ATOM 0 HB2 LEU A 63 3.883 -7.095 0.126 1.00 44.20 H new ATOM 0 HB3 LEU A 63 5.460 -6.408 0.456 1.00 44.20 H new ATOM 0 HG LEU A 63 3.360 -5.181 -1.341 1.00 74.14 H new ATOM 0 HD11 LEU A 63 3.124 -3.525 0.464 1.00 3.12 H new ATOM 0 HD12 LEU A 63 2.698 -5.164 1.010 1.00 3.12 H new ATOM 0 HD13 LEU A 63 4.267 -4.456 1.460 1.00 3.12 H new ATOM 0 HD21 LEU A 63 4.812 -3.191 -1.296 1.00 61.35 H new ATOM 0 HD22 LEU A 63 6.026 -4.104 -0.368 1.00 61.35 H new ATOM 0 HD23 LEU A 63 5.630 -4.590 -2.033 1.00 61.35 H new ATOM 904 N ASP A 64 7.056 -8.731 -1.344 1.00 1.35 N ATOM 905 CA ASP A 64 7.785 -9.933 -0.961 1.00 33.44 C ATOM 906 C ASP A 64 8.956 -9.504 -0.082 1.00 51.01 C ATOM 907 O ASP A 64 9.351 -10.183 0.854 1.00 64.12 O ATOM 908 CB ASP A 64 8.287 -10.625 -2.231 1.00 30.52 C ATOM 909 CG ASP A 64 8.807 -12.025 -2.003 1.00 31.44 C ATOM 910 OD1 ASP A 64 7.987 -12.973 -2.041 1.00 13.21 O ATOM 911 OD2 ASP A 64 10.030 -12.213 -1.874 1.00 32.34 O ATOM 0 H ASP A 64 7.623 -8.048 -1.846 1.00 1.35 H new ATOM 0 HA ASP A 64 7.152 -10.629 -0.411 1.00 33.44 H new ATOM 0 HB2 ASP A 64 7.475 -10.664 -2.957 1.00 30.52 H new ATOM 0 HB3 ASP A 64 9.080 -10.021 -2.672 1.00 30.52 H new ATOM 916 N GLN A 65 9.479 -8.331 -0.415 1.00 74.02 N ATOM 917 CA GLN A 65 10.531 -7.666 0.301 1.00 22.40 C ATOM 918 C GLN A 65 10.045 -7.277 1.704 1.00 51.41 C ATOM 919 O GLN A 65 8.993 -6.671 1.840 1.00 31.44 O ATOM 920 CB GLN A 65 11.019 -6.400 -0.477 1.00 63.13 C ATOM 921 CG GLN A 65 9.942 -5.332 -0.814 1.00 41.20 C ATOM 922 CD GLN A 65 9.098 -5.627 -2.068 1.00 11.34 C ATOM 923 OE1 GLN A 65 8.871 -6.782 -2.454 1.00 52.43 O ATOM 924 NE2 GLN A 65 8.622 -4.604 -2.696 1.00 25.34 N ATOM 0 H GLN A 65 9.160 -7.804 -1.228 1.00 74.02 H new ATOM 0 HA GLN A 65 11.373 -8.351 0.395 1.00 22.40 H new ATOM 0 HB2 GLN A 65 11.802 -5.920 0.110 1.00 63.13 H new ATOM 0 HB3 GLN A 65 11.476 -6.729 -1.410 1.00 63.13 H new ATOM 0 HG2 GLN A 65 9.272 -5.232 0.040 1.00 41.20 H new ATOM 0 HG3 GLN A 65 10.436 -4.369 -0.946 1.00 41.20 H new ATOM 0 HE21 GLN A 65 8.821 -3.662 -2.361 1.00 25.34 H new ATOM 0 HE22 GLN A 65 8.047 -4.738 -3.527 1.00 25.34 H new ATOM 933 N PRO A 66 10.823 -7.613 2.751 1.00 51.40 N ATOM 934 CA PRO A 66 10.437 -7.378 4.155 1.00 3.21 C ATOM 935 C PRO A 66 10.227 -5.899 4.513 1.00 34.44 C ATOM 936 O PRO A 66 9.398 -5.566 5.379 1.00 51.23 O ATOM 937 CB PRO A 66 11.616 -7.951 4.957 1.00 61.40 C ATOM 938 CG PRO A 66 12.749 -8.007 3.992 1.00 33.13 C ATOM 939 CD PRO A 66 12.138 -8.270 2.652 1.00 63.34 C ATOM 0 HA PRO A 66 9.474 -7.843 4.368 1.00 3.21 H new ATOM 0 HB2 PRO A 66 11.856 -7.318 5.811 1.00 61.40 H new ATOM 0 HB3 PRO A 66 11.382 -8.941 5.349 1.00 61.40 H new ATOM 0 HG2 PRO A 66 13.306 -7.070 3.990 1.00 33.13 H new ATOM 0 HG3 PRO A 66 13.452 -8.795 4.261 1.00 33.13 H new ATOM 0 HD2 PRO A 66 12.739 -7.850 1.845 1.00 63.34 H new ATOM 0 HD3 PRO A 66 12.042 -9.338 2.455 1.00 63.34 H new ATOM 947 N THR A 67 10.979 -5.024 3.895 1.00 72.23 N ATOM 948 CA THR A 67 10.881 -3.624 4.196 1.00 54.32 C ATOM 949 C THR A 67 10.294 -2.851 3.009 1.00 34.51 C ATOM 950 O THR A 67 10.829 -2.896 1.904 1.00 51.42 O ATOM 951 CB THR A 67 12.277 -3.062 4.557 1.00 0.44 C ATOM 952 OG1 THR A 67 12.861 -3.884 5.596 1.00 24.35 O ATOM 953 CG2 THR A 67 12.165 -1.626 5.064 1.00 24.51 C ATOM 0 H THR A 67 11.666 -5.260 3.179 1.00 72.23 H new ATOM 0 HA THR A 67 10.213 -3.501 5.049 1.00 54.32 H new ATOM 0 HB THR A 67 12.902 -3.072 3.664 1.00 0.44 H new ATOM 0 HG1 THR A 67 13.747 -3.536 5.830 1.00 24.35 H new ATOM 0 HG21 THR A 67 13.157 -1.249 5.312 1.00 24.51 H new ATOM 0 HG22 THR A 67 11.723 -1.000 4.289 1.00 24.51 H new ATOM 0 HG23 THR A 67 11.535 -1.602 5.953 1.00 24.51 H new ATOM 961 N THR A 68 9.187 -2.199 3.232 1.00 0.34 N ATOM 962 CA THR A 68 8.572 -1.368 2.231 1.00 31.31 C ATOM 963 C THR A 68 8.519 0.089 2.754 1.00 14.32 C ATOM 964 O THR A 68 7.854 0.367 3.737 1.00 12.14 O ATOM 965 CB THR A 68 7.142 -1.890 1.966 1.00 44.15 C ATOM 966 OG1 THR A 68 7.193 -3.284 1.628 1.00 12.04 O ATOM 967 CG2 THR A 68 6.460 -1.122 0.850 1.00 25.22 C ATOM 0 H THR A 68 8.682 -2.228 4.118 1.00 0.34 H new ATOM 0 HA THR A 68 9.145 -1.395 1.304 1.00 31.31 H new ATOM 0 HB THR A 68 6.560 -1.745 2.876 1.00 44.15 H new ATOM 0 HG1 THR A 68 6.312 -3.688 1.773 1.00 12.04 H new ATOM 0 HG21 THR A 68 5.457 -1.520 0.695 1.00 25.22 H new ATOM 0 HG22 THR A 68 6.395 -0.068 1.121 1.00 25.22 H new ATOM 0 HG23 THR A 68 7.037 -1.226 -0.069 1.00 25.22 H new ATOM 975 N THR A 69 9.239 0.992 2.132 1.00 62.13 N ATOM 976 CA THR A 69 9.242 2.373 2.580 1.00 63.33 C ATOM 977 C THR A 69 8.352 3.251 1.685 1.00 50.13 C ATOM 978 O THR A 69 8.481 3.233 0.449 1.00 11.55 O ATOM 979 CB THR A 69 10.682 2.932 2.621 1.00 4.10 C ATOM 980 OG1 THR A 69 11.488 2.048 3.420 1.00 63.51 O ATOM 981 CG2 THR A 69 10.715 4.329 3.236 1.00 61.42 C ATOM 0 H THR A 69 9.827 0.803 1.321 1.00 62.13 H new ATOM 0 HA THR A 69 8.832 2.394 3.590 1.00 63.33 H new ATOM 0 HB THR A 69 11.065 2.999 1.603 1.00 4.10 H new ATOM 0 HG1 THR A 69 12.407 2.386 3.456 1.00 63.51 H new ATOM 0 HG21 THR A 69 11.741 4.696 3.251 1.00 61.42 H new ATOM 0 HG22 THR A 69 10.098 5.003 2.642 1.00 61.42 H new ATOM 0 HG23 THR A 69 10.330 4.287 4.255 1.00 61.42 H new ATOM 989 N ALA A 70 7.446 3.978 2.316 1.00 35.01 N ATOM 990 CA ALA A 70 6.552 4.892 1.644 1.00 41.52 C ATOM 991 C ALA A 70 7.001 6.320 1.916 1.00 30.22 C ATOM 992 O ALA A 70 7.168 6.720 3.086 1.00 21.30 O ATOM 993 CB ALA A 70 5.127 4.693 2.153 1.00 43.21 C ATOM 0 H ALA A 70 7.312 3.946 3.327 1.00 35.01 H new ATOM 0 HA ALA A 70 6.574 4.700 0.571 1.00 41.52 H new ATOM 0 HB1 ALA A 70 4.458 5.385 1.642 1.00 43.21 H new ATOM 0 HB2 ALA A 70 4.810 3.669 1.955 1.00 43.21 H new ATOM 0 HB3 ALA A 70 5.094 4.882 3.226 1.00 43.21 H new ATOM 999 N GLY A 71 7.221 7.080 0.872 1.00 51.14 N ATOM 1000 CA GLY A 71 7.646 8.446 1.041 1.00 3.55 C ATOM 1001 C GLY A 71 8.120 9.012 -0.253 1.00 74.23 C ATOM 1002 O GLY A 71 7.664 8.579 -1.311 1.00 23.32 O ATOM 0 H GLY A 71 7.114 6.779 -0.097 1.00 51.14 H new ATOM 0 HA2 GLY A 71 6.820 9.045 1.425 1.00 3.55 H new ATOM 0 HA3 GLY A 71 8.446 8.495 1.780 1.00 3.55 H new ATOM 1006 N ARG A 72 9.031 9.949 -0.193 1.00 42.43 N ATOM 1007 CA ARG A 72 9.562 10.551 -1.388 1.00 62.23 C ATOM 1008 C ARG A 72 11.096 10.571 -1.368 1.00 61.12 C ATOM 1009 O ARG A 72 11.747 11.538 -0.937 1.00 14.33 O ATOM 1010 CB ARG A 72 8.942 11.944 -1.675 1.00 75.41 C ATOM 1011 CG ARG A 72 9.163 12.990 -0.593 1.00 53.10 C ATOM 1012 CD ARG A 72 8.535 14.317 -0.956 1.00 31.33 C ATOM 1013 NE ARG A 72 7.067 14.313 -0.815 1.00 10.45 N ATOM 1014 CZ ARG A 72 6.193 14.772 -1.726 1.00 34.41 C ATOM 1015 NH1 ARG A 72 6.581 15.049 -2.958 1.00 45.13 N ATOM 1016 NH2 ARG A 72 4.918 14.906 -1.400 1.00 4.32 N ATOM 0 H ARG A 72 9.422 10.313 0.676 1.00 42.43 H new ATOM 0 HA ARG A 72 9.267 9.922 -2.228 1.00 62.23 H new ATOM 0 HB2 ARG A 72 9.354 12.321 -2.611 1.00 75.41 H new ATOM 0 HB3 ARG A 72 7.869 11.822 -1.825 1.00 75.41 H new ATOM 0 HG2 ARG A 72 8.742 12.634 0.347 1.00 53.10 H new ATOM 0 HG3 ARG A 72 10.232 13.126 -0.432 1.00 53.10 H new ATOM 0 HD2 ARG A 72 8.954 15.098 -0.321 1.00 31.33 H new ATOM 0 HD3 ARG A 72 8.796 14.568 -1.984 1.00 31.33 H new ATOM 0 HE ARG A 72 6.682 13.929 0.048 1.00 10.45 H new ATOM 0 HH11 ARG A 72 7.555 14.915 -3.228 1.00 45.13 H new ATOM 0 HH12 ARG A 72 5.906 15.397 -3.639 1.00 45.13 H new ATOM 0 HH21 ARG A 72 4.603 14.661 -0.461 1.00 4.32 H new ATOM 0 HH22 ARG A 72 4.250 15.254 -2.087 1.00 4.32 H new ATOM 1030 N HIS A 73 11.654 9.474 -1.764 1.00 73.02 N ATOM 1031 CA HIS A 73 13.091 9.276 -1.859 1.00 62.32 C ATOM 1032 C HIS A 73 13.333 8.349 -3.028 1.00 2.43 C ATOM 1033 O HIS A 73 12.377 7.882 -3.634 1.00 3.04 O ATOM 1034 CB HIS A 73 13.645 8.555 -0.596 1.00 43.43 C ATOM 1035 CG HIS A 73 13.704 9.324 0.678 1.00 11.43 C ATOM 1036 ND1 HIS A 73 13.073 8.925 1.835 1.00 75.32 N ATOM 1037 CD2 HIS A 73 14.438 10.412 1.005 1.00 3.03 C ATOM 1038 CE1 HIS A 73 13.439 9.755 2.809 1.00 45.12 C ATOM 1039 NE2 HIS A 73 14.271 10.680 2.357 1.00 71.33 N ATOM 0 H HIS A 73 11.116 8.653 -2.043 1.00 73.02 H new ATOM 0 HA HIS A 73 13.578 10.245 -1.966 1.00 62.32 H new ATOM 0 HB2 HIS A 73 13.035 7.668 -0.423 1.00 43.43 H new ATOM 0 HB3 HIS A 73 14.653 8.209 -0.824 1.00 43.43 H new ATOM 0 HD2 HIS A 73 15.054 10.980 0.324 1.00 3.03 H new ATOM 0 HE1 HIS A 73 13.102 9.683 3.833 1.00 45.12 H new ATOM 0 HE2 HIS A 73 14.701 11.435 2.892 1.00 71.33 H new ATOM 1047 N PRO A 74 14.606 8.084 -3.406 1.00 51.34 N ATOM 1048 CA PRO A 74 14.915 6.957 -4.297 1.00 3.32 C ATOM 1049 C PRO A 74 14.594 5.660 -3.533 1.00 3.32 C ATOM 1050 O PRO A 74 14.347 4.600 -4.102 1.00 73.54 O ATOM 1051 CB PRO A 74 16.432 7.083 -4.532 1.00 62.04 C ATOM 1052 CG PRO A 74 16.747 8.506 -4.217 1.00 43.44 C ATOM 1053 CD PRO A 74 15.812 8.895 -3.113 1.00 72.20 C ATOM 0 HA PRO A 74 14.357 6.951 -5.233 1.00 3.32 H new ATOM 0 HB2 PRO A 74 16.990 6.402 -3.889 1.00 62.04 H new ATOM 0 HB3 PRO A 74 16.695 6.838 -5.561 1.00 62.04 H new ATOM 0 HG2 PRO A 74 17.786 8.617 -3.907 1.00 43.44 H new ATOM 0 HG3 PRO A 74 16.605 9.141 -5.092 1.00 43.44 H new ATOM 0 HD2 PRO A 74 16.226 8.664 -2.132 1.00 72.20 H new ATOM 0 HD3 PRO A 74 15.594 9.963 -3.124 1.00 72.20 H new ATOM 1061 N GLU A 75 14.590 5.801 -2.217 1.00 64.40 N ATOM 1062 CA GLU A 75 14.254 4.776 -1.277 1.00 24.24 C ATOM 1063 C GLU A 75 12.765 4.840 -1.022 1.00 64.44 C ATOM 1064 O GLU A 75 12.296 5.343 0.003 1.00 34.35 O ATOM 1065 CB GLU A 75 15.010 4.993 0.028 1.00 14.30 C ATOM 1066 CG GLU A 75 16.509 4.944 -0.123 1.00 23.20 C ATOM 1067 CD GLU A 75 16.995 3.576 -0.487 1.00 62.21 C ATOM 1068 OE1 GLU A 75 17.235 2.785 0.418 1.00 71.14 O ATOM 1069 OE2 GLU A 75 17.162 3.276 -1.687 1.00 12.21 O ATOM 0 H GLU A 75 14.835 6.683 -1.766 1.00 64.40 H new ATOM 0 HA GLU A 75 14.529 3.800 -1.676 1.00 24.24 H new ATOM 0 HB2 GLU A 75 14.727 5.960 0.445 1.00 14.30 H new ATOM 0 HB3 GLU A 75 14.701 4.234 0.747 1.00 14.30 H new ATOM 0 HG2 GLU A 75 16.819 5.654 -0.890 1.00 23.20 H new ATOM 0 HG3 GLU A 75 16.977 5.258 0.810 1.00 23.20 H new ATOM 1076 N SER A 76 12.045 4.500 -2.018 1.00 2.22 N ATOM 1077 CA SER A 76 10.627 4.404 -1.954 1.00 2.23 C ATOM 1078 C SER A 76 10.220 3.179 -2.725 1.00 62.11 C ATOM 1079 O SER A 76 10.426 3.088 -3.935 1.00 12.21 O ATOM 1080 CB SER A 76 9.972 5.686 -2.481 1.00 32.21 C ATOM 1081 OG SER A 76 10.397 6.794 -1.684 1.00 12.45 O ATOM 0 H SER A 76 12.431 4.272 -2.934 1.00 2.22 H new ATOM 0 HA SER A 76 10.286 4.302 -0.924 1.00 2.23 H new ATOM 0 HB2 SER A 76 10.246 5.846 -3.524 1.00 32.21 H new ATOM 0 HB3 SER A 76 8.886 5.594 -2.448 1.00 32.21 H new ATOM 0 HG SER A 76 10.949 6.470 -0.942 1.00 12.45 H new ATOM 1087 N ASP A 77 9.701 2.223 -2.004 1.00 12.42 N ATOM 1088 CA ASP A 77 9.358 0.929 -2.566 1.00 24.42 C ATOM 1089 C ASP A 77 8.137 1.073 -3.451 1.00 31.32 C ATOM 1090 O ASP A 77 8.026 0.451 -4.510 1.00 53.01 O ATOM 1091 CB ASP A 77 9.107 -0.064 -1.440 1.00 21.33 C ATOM 1092 CG ASP A 77 8.982 -1.482 -1.927 1.00 24.12 C ATOM 1093 OD1 ASP A 77 10.023 -2.170 -2.052 1.00 71.32 O ATOM 1094 OD2 ASP A 77 7.871 -1.938 -2.184 1.00 20.24 O ATOM 0 H ASP A 77 9.501 2.311 -1.008 1.00 12.42 H new ATOM 0 HA ASP A 77 10.181 0.555 -3.174 1.00 24.42 H new ATOM 0 HB2 ASP A 77 9.923 -0.003 -0.720 1.00 21.33 H new ATOM 0 HB3 ASP A 77 8.195 0.215 -0.913 1.00 21.33 H new ATOM 1099 N ILE A 78 7.250 1.945 -3.031 1.00 71.35 N ATOM 1100 CA ILE A 78 6.082 2.281 -3.792 1.00 33.33 C ATOM 1101 C ILE A 78 6.049 3.784 -3.892 1.00 13.33 C ATOM 1102 O ILE A 78 6.703 4.469 -3.089 1.00 55.25 O ATOM 1103 CB ILE A 78 4.716 1.730 -3.209 1.00 31.33 C ATOM 1104 CG1 ILE A 78 4.289 2.388 -1.860 1.00 33.42 C ATOM 1105 CG2 ILE A 78 4.736 0.207 -3.091 1.00 41.40 C ATOM 1106 CD1 ILE A 78 5.205 2.148 -0.675 1.00 15.20 C ATOM 0 H ILE A 78 7.325 2.442 -2.143 1.00 71.35 H new ATOM 0 HA ILE A 78 6.163 1.796 -4.765 1.00 33.33 H new ATOM 0 HB ILE A 78 3.955 2.018 -3.934 1.00 31.33 H new ATOM 0 HG12 ILE A 78 4.206 3.464 -2.015 1.00 33.42 H new ATOM 0 HG13 ILE A 78 3.294 2.025 -1.602 1.00 33.42 H new ATOM 0 HG21 ILE A 78 3.784 -0.139 -2.688 1.00 41.40 H new ATOM 0 HG22 ILE A 78 4.894 -0.232 -4.076 1.00 41.40 H new ATOM 0 HG23 ILE A 78 5.544 -0.096 -2.425 1.00 41.40 H new ATOM 0 HD11 ILE A 78 4.804 2.654 0.203 1.00 15.20 H new ATOM 0 HD12 ILE A 78 5.272 1.078 -0.478 1.00 15.20 H new ATOM 0 HD13 ILE A 78 6.198 2.539 -0.898 1.00 15.20 H new ATOM 1118 N PHE A 79 5.325 4.300 -4.835 1.00 71.31 N ATOM 1119 CA PHE A 79 5.315 5.723 -5.064 1.00 63.22 C ATOM 1120 C PHE A 79 4.030 6.354 -4.608 1.00 72.32 C ATOM 1121 O PHE A 79 2.940 5.810 -4.811 1.00 45.53 O ATOM 1122 CB PHE A 79 5.603 6.062 -6.525 1.00 62.41 C ATOM 1123 CG PHE A 79 6.980 5.664 -6.974 1.00 24.44 C ATOM 1124 CD1 PHE A 79 8.064 6.486 -6.716 1.00 23.41 C ATOM 1125 CD2 PHE A 79 7.192 4.476 -7.655 1.00 75.32 C ATOM 1126 CE1 PHE A 79 9.330 6.135 -7.127 1.00 23.22 C ATOM 1127 CE2 PHE A 79 8.457 4.120 -8.069 1.00 75.01 C ATOM 1128 CZ PHE A 79 9.526 4.951 -7.804 1.00 64.14 C ATOM 0 H PHE A 79 4.729 3.761 -5.464 1.00 71.31 H new ATOM 0 HA PHE A 79 6.120 6.144 -4.461 1.00 63.22 H new ATOM 0 HB2 PHE A 79 4.866 5.566 -7.157 1.00 62.41 H new ATOM 0 HB3 PHE A 79 5.478 7.135 -6.672 1.00 62.41 H new ATOM 0 HD1 PHE A 79 7.914 7.415 -6.185 1.00 23.41 H new ATOM 0 HD2 PHE A 79 6.358 3.823 -7.863 1.00 75.32 H new ATOM 0 HE1 PHE A 79 10.167 6.785 -6.920 1.00 23.22 H new ATOM 0 HE2 PHE A 79 8.611 3.192 -8.600 1.00 75.01 H new ATOM 0 HZ PHE A 79 10.518 4.673 -8.128 1.00 64.14 H new ATOM 1138 N LEU A 80 4.170 7.463 -3.947 1.00 5.33 N ATOM 1139 CA LEU A 80 3.072 8.220 -3.449 1.00 10.32 C ATOM 1140 C LEU A 80 3.204 9.635 -3.968 1.00 55.44 C ATOM 1141 O LEU A 80 4.302 10.205 -3.975 1.00 70.44 O ATOM 1142 CB LEU A 80 3.030 8.252 -1.897 1.00 13.15 C ATOM 1143 CG LEU A 80 2.850 6.918 -1.130 1.00 33.23 C ATOM 1144 CD1 LEU A 80 4.108 6.067 -1.158 1.00 21.44 C ATOM 1145 CD2 LEU A 80 2.429 7.182 0.303 1.00 23.03 C ATOM 0 H LEU A 80 5.079 7.874 -3.736 1.00 5.33 H new ATOM 0 HA LEU A 80 2.150 7.749 -3.789 1.00 10.32 H new ATOM 0 HB2 LEU A 80 3.957 8.710 -1.551 1.00 13.15 H new ATOM 0 HB3 LEU A 80 2.217 8.915 -1.602 1.00 13.15 H new ATOM 0 HG LEU A 80 2.065 6.359 -1.638 1.00 33.23 H new ATOM 0 HD11 LEU A 80 3.934 5.142 -0.608 1.00 21.44 H new ATOM 0 HD12 LEU A 80 4.365 5.832 -2.191 1.00 21.44 H new ATOM 0 HD13 LEU A 80 4.929 6.615 -0.696 1.00 21.44 H new ATOM 0 HD21 LEU A 80 2.307 6.234 0.827 1.00 23.03 H new ATOM 0 HD22 LEU A 80 3.193 7.777 0.803 1.00 23.03 H new ATOM 0 HD23 LEU A 80 1.484 7.725 0.310 1.00 23.03 H new ATOM 1157 N ASP A 81 2.111 10.200 -4.382 1.00 54.22 N ATOM 1158 CA ASP A 81 2.083 11.541 -4.891 1.00 52.43 C ATOM 1159 C ASP A 81 0.836 12.188 -4.377 1.00 43.03 C ATOM 1160 O ASP A 81 -0.202 12.248 -5.038 1.00 23.22 O ATOM 1161 CB ASP A 81 2.140 11.603 -6.420 1.00 44.12 C ATOM 1162 CG ASP A 81 2.340 13.019 -6.938 1.00 44.11 C ATOM 1163 OD1 ASP A 81 1.389 13.819 -6.954 1.00 2.30 O ATOM 1164 OD2 ASP A 81 3.463 13.354 -7.360 1.00 43.15 O ATOM 0 H ASP A 81 1.201 9.739 -4.377 1.00 54.22 H new ATOM 0 HA ASP A 81 2.972 12.070 -4.547 1.00 52.43 H new ATOM 0 HB2 ASP A 81 2.954 10.971 -6.776 1.00 44.12 H new ATOM 0 HB3 ASP A 81 1.216 11.196 -6.832 1.00 44.12 H new ATOM 1169 N ASP A 82 0.910 12.523 -3.149 1.00 50.30 N ATOM 1170 CA ASP A 82 -0.154 13.165 -2.426 1.00 72.15 C ATOM 1171 C ASP A 82 0.356 14.501 -1.919 1.00 41.12 C ATOM 1172 O ASP A 82 1.576 14.705 -1.834 1.00 3.42 O ATOM 1173 CB ASP A 82 -0.600 12.264 -1.256 1.00 70.41 C ATOM 1174 CG ASP A 82 -1.659 12.894 -0.387 1.00 45.42 C ATOM 1175 OD1 ASP A 82 -2.831 12.798 -0.699 1.00 43.12 O ATOM 1176 OD2 ASP A 82 -1.307 13.510 0.615 1.00 11.42 O ATOM 0 H ASP A 82 1.741 12.358 -2.581 1.00 50.30 H new ATOM 0 HA ASP A 82 -1.016 13.329 -3.072 1.00 72.15 H new ATOM 0 HB2 ASP A 82 -0.980 11.324 -1.655 1.00 70.41 H new ATOM 0 HB3 ASP A 82 0.267 12.022 -0.642 1.00 70.41 H new ATOM 1181 N VAL A 83 -0.534 15.398 -1.599 1.00 34.34 N ATOM 1182 CA VAL A 83 -0.161 16.725 -1.133 1.00 20.52 C ATOM 1183 C VAL A 83 0.432 16.667 0.297 1.00 63.41 C ATOM 1184 O VAL A 83 1.283 17.465 0.662 1.00 41.42 O ATOM 1185 CB VAL A 83 -1.383 17.710 -1.199 1.00 11.04 C ATOM 1186 CG1 VAL A 83 -2.540 17.247 -0.316 1.00 21.22 C ATOM 1187 CG2 VAL A 83 -0.968 19.136 -0.850 1.00 71.25 C ATOM 0 H VAL A 83 -1.540 15.240 -1.650 1.00 34.34 H new ATOM 0 HA VAL A 83 0.612 17.108 -1.799 1.00 20.52 H new ATOM 0 HB VAL A 83 -1.738 17.704 -2.230 1.00 11.04 H new ATOM 0 HG11 VAL A 83 -3.363 17.958 -0.392 1.00 21.22 H new ATOM 0 HG12 VAL A 83 -2.878 16.264 -0.644 1.00 21.22 H new ATOM 0 HG13 VAL A 83 -2.206 17.188 0.720 1.00 21.22 H new ATOM 0 HG21 VAL A 83 -1.837 19.792 -0.905 1.00 71.25 H new ATOM 0 HG22 VAL A 83 -0.560 19.159 0.160 1.00 71.25 H new ATOM 0 HG23 VAL A 83 -0.210 19.477 -1.555 1.00 71.25 H new ATOM 1197 N THR A 84 0.035 15.683 1.053 1.00 24.51 N ATOM 1198 CA THR A 84 0.450 15.544 2.419 1.00 3.33 C ATOM 1199 C THR A 84 1.342 14.325 2.663 1.00 41.02 C ATOM 1200 O THR A 84 1.558 13.934 3.804 1.00 65.00 O ATOM 1201 CB THR A 84 -0.766 15.546 3.371 1.00 32.01 C ATOM 1202 OG1 THR A 84 -1.880 14.809 2.799 1.00 44.55 O ATOM 1203 CG2 THR A 84 -1.196 16.964 3.689 1.00 72.44 C ATOM 0 H THR A 84 -0.594 14.946 0.734 1.00 24.51 H new ATOM 0 HA THR A 84 1.066 16.416 2.639 1.00 3.33 H new ATOM 0 HB THR A 84 -0.462 15.053 4.295 1.00 32.01 H new ATOM 0 HG1 THR A 84 -1.541 14.148 2.160 1.00 44.55 H new ATOM 0 HG21 THR A 84 -2.054 16.942 4.361 1.00 72.44 H new ATOM 0 HG22 THR A 84 -0.373 17.495 4.168 1.00 72.44 H new ATOM 0 HG23 THR A 84 -1.470 17.476 2.767 1.00 72.44 H new ATOM 1211 N VAL A 85 1.870 13.729 1.605 1.00 51.30 N ATOM 1212 CA VAL A 85 2.822 12.656 1.811 1.00 32.21 C ATOM 1213 C VAL A 85 4.199 13.260 2.064 1.00 23.11 C ATOM 1214 O VAL A 85 4.738 14.023 1.229 1.00 5.31 O ATOM 1215 CB VAL A 85 2.856 11.569 0.677 1.00 13.44 C ATOM 1216 CG1 VAL A 85 3.200 12.151 -0.682 1.00 41.41 C ATOM 1217 CG2 VAL A 85 3.833 10.456 1.038 1.00 73.55 C ATOM 0 H VAL A 85 1.665 13.959 0.633 1.00 51.30 H new ATOM 0 HA VAL A 85 2.486 12.099 2.686 1.00 32.21 H new ATOM 0 HB VAL A 85 1.849 11.158 0.602 1.00 13.44 H new ATOM 0 HG11 VAL A 85 3.209 11.355 -1.427 1.00 41.41 H new ATOM 0 HG12 VAL A 85 2.455 12.897 -0.957 1.00 41.41 H new ATOM 0 HG13 VAL A 85 4.183 12.619 -0.639 1.00 41.41 H new ATOM 0 HG21 VAL A 85 3.845 9.711 0.243 1.00 73.55 H new ATOM 0 HG22 VAL A 85 4.832 10.874 1.159 1.00 73.55 H new ATOM 0 HG23 VAL A 85 3.521 9.986 1.971 1.00 73.55 H new ATOM 1227 N SER A 86 4.737 12.953 3.208 1.00 23.02 N ATOM 1228 CA SER A 86 5.962 13.536 3.667 1.00 23.13 C ATOM 1229 C SER A 86 7.201 12.846 3.025 1.00 5.22 C ATOM 1230 O SER A 86 7.077 12.032 2.089 1.00 61.24 O ATOM 1231 CB SER A 86 5.990 13.459 5.211 1.00 45.21 C ATOM 1232 OG SER A 86 7.018 14.272 5.770 1.00 70.13 O ATOM 0 H SER A 86 4.330 12.280 3.858 1.00 23.02 H new ATOM 0 HA SER A 86 6.010 14.580 3.359 1.00 23.13 H new ATOM 0 HB2 SER A 86 5.024 13.774 5.607 1.00 45.21 H new ATOM 0 HB3 SER A 86 6.139 12.424 5.519 1.00 45.21 H new ATOM 0 HG SER A 86 7.636 13.711 6.284 1.00 70.13 H new ATOM 1238 N ARG A 87 8.380 13.218 3.513 1.00 14.11 N ATOM 1239 CA ARG A 87 9.660 12.699 3.044 1.00 31.55 C ATOM 1240 C ARG A 87 9.762 11.191 3.286 1.00 65.12 C ATOM 1241 O ARG A 87 10.053 10.416 2.373 1.00 33.33 O ATOM 1242 CB ARG A 87 10.798 13.459 3.741 1.00 73.33 C ATOM 1243 CG ARG A 87 12.186 12.932 3.447 1.00 44.23 C ATOM 1244 CD ARG A 87 13.283 13.824 4.018 1.00 34.43 C ATOM 1245 NE ARG A 87 13.167 14.010 5.473 1.00 53.45 N ATOM 1246 CZ ARG A 87 14.197 14.152 6.321 1.00 12.01 C ATOM 1247 NH1 ARG A 87 15.441 13.920 5.908 1.00 3.44 N ATOM 1248 NH2 ARG A 87 13.975 14.477 7.598 1.00 5.22 N ATOM 0 H ARG A 87 8.474 13.904 4.262 1.00 14.11 H new ATOM 0 HA ARG A 87 9.741 12.854 1.968 1.00 31.55 H new ATOM 0 HB2 ARG A 87 10.752 14.507 3.444 1.00 73.33 H new ATOM 0 HB3 ARG A 87 10.632 13.426 4.818 1.00 73.33 H new ATOM 0 HG2 ARG A 87 12.285 11.929 3.862 1.00 44.23 H new ATOM 0 HG3 ARG A 87 12.317 12.846 2.368 1.00 44.23 H new ATOM 0 HD2 ARG A 87 14.255 13.388 3.788 1.00 34.43 H new ATOM 0 HD3 ARG A 87 13.246 14.797 3.528 1.00 34.43 H new ATOM 0 HE ARG A 87 12.227 14.033 5.869 1.00 53.45 H new ATOM 0 HH11 ARG A 87 15.613 13.633 4.944 1.00 3.44 H new ATOM 0 HH12 ARG A 87 16.222 14.029 6.555 1.00 3.44 H new ATOM 0 HH21 ARG A 87 13.021 14.618 7.930 1.00 5.22 H new ATOM 0 HH22 ARG A 87 14.760 14.584 8.241 1.00 5.22 H new ATOM 1262 N ARG A 88 9.504 10.797 4.492 1.00 55.41 N ATOM 1263 CA ARG A 88 9.501 9.418 4.885 1.00 53.34 C ATOM 1264 C ARG A 88 8.242 9.257 5.697 1.00 11.23 C ATOM 1265 O ARG A 88 8.196 9.637 6.853 1.00 32.43 O ATOM 1266 CB ARG A 88 10.759 9.126 5.712 1.00 10.14 C ATOM 1267 CG ARG A 88 11.006 7.670 6.075 1.00 54.51 C ATOM 1268 CD ARG A 88 12.288 7.559 6.892 1.00 44.02 C ATOM 1269 NE ARG A 88 12.583 6.200 7.362 1.00 50.23 N ATOM 1270 CZ ARG A 88 13.623 5.885 8.159 1.00 52.01 C ATOM 1271 NH1 ARG A 88 14.542 6.799 8.454 1.00 1.51 N ATOM 1272 NH2 ARG A 88 13.758 4.654 8.614 1.00 54.41 N ATOM 0 H ARG A 88 9.283 11.440 5.253 1.00 55.41 H new ATOM 0 HA ARG A 88 9.515 8.724 4.045 1.00 53.34 H new ATOM 0 HB2 ARG A 88 11.624 9.492 5.159 1.00 10.14 H new ATOM 0 HB3 ARG A 88 10.703 9.704 6.635 1.00 10.14 H new ATOM 0 HG2 ARG A 88 10.164 7.279 6.646 1.00 54.51 H new ATOM 0 HG3 ARG A 88 11.086 7.067 5.170 1.00 54.51 H new ATOM 0 HD2 ARG A 88 13.123 7.912 6.287 1.00 44.02 H new ATOM 0 HD3 ARG A 88 12.216 8.222 7.754 1.00 44.02 H new ATOM 0 HE ARG A 88 11.962 5.447 7.067 1.00 50.23 H new ATOM 0 HH11 ARG A 88 14.462 7.743 8.077 1.00 1.51 H new ATOM 0 HH12 ARG A 88 15.327 6.556 9.058 1.00 1.51 H new ATOM 0 HH21 ARG A 88 13.075 3.940 8.363 1.00 54.41 H new ATOM 0 HH22 ARG A 88 14.546 4.417 9.217 1.00 54.41 H new ATOM 1286 N HIS A 89 7.209 8.772 5.063 1.00 54.34 N ATOM 1287 CA HIS A 89 5.893 8.807 5.659 1.00 52.51 C ATOM 1288 C HIS A 89 5.634 7.564 6.503 1.00 71.43 C ATOM 1289 O HIS A 89 5.358 7.653 7.703 1.00 21.40 O ATOM 1290 CB HIS A 89 4.834 8.974 4.549 1.00 73.42 C ATOM 1291 CG HIS A 89 3.508 9.514 5.016 1.00 23.32 C ATOM 1292 ND1 HIS A 89 3.170 10.835 4.813 1.00 64.15 N ATOM 1293 CD2 HIS A 89 2.486 8.888 5.635 1.00 34.20 C ATOM 1294 CE1 HIS A 89 1.948 10.976 5.315 1.00 22.13 C ATOM 1295 NE2 HIS A 89 1.496 9.825 5.823 1.00 23.02 N ATOM 0 H HIS A 89 7.248 8.348 4.136 1.00 54.34 H new ATOM 0 HA HIS A 89 5.829 9.661 6.334 1.00 52.51 H new ATOM 0 HB2 HIS A 89 5.232 9.640 3.784 1.00 73.42 H new ATOM 0 HB3 HIS A 89 4.670 8.006 4.075 1.00 73.42 H new ATOM 0 HD2 HIS A 89 2.451 7.849 5.927 1.00 34.20 H new ATOM 0 HE1 HIS A 89 1.391 11.902 5.313 1.00 22.13 H new ATOM 0 HE2 HIS A 89 0.590 9.671 6.266 1.00 23.02 H new ATOM 1303 N ALA A 90 5.778 6.416 5.915 1.00 40.32 N ATOM 1304 CA ALA A 90 5.495 5.198 6.624 1.00 24.21 C ATOM 1305 C ALA A 90 6.405 4.103 6.169 1.00 65.41 C ATOM 1306 O ALA A 90 6.888 4.114 5.029 1.00 75.45 O ATOM 1307 CB ALA A 90 4.042 4.785 6.418 1.00 1.11 C ATOM 0 H ALA A 90 6.088 6.293 4.951 1.00 40.32 H new ATOM 0 HA ALA A 90 5.663 5.376 7.686 1.00 24.21 H new ATOM 0 HB1 ALA A 90 3.846 3.861 6.962 1.00 1.11 H new ATOM 0 HB2 ALA A 90 3.384 5.571 6.789 1.00 1.11 H new ATOM 0 HB3 ALA A 90 3.856 4.627 5.356 1.00 1.11 H new ATOM 1313 N GLU A 91 6.672 3.192 7.049 1.00 1.41 N ATOM 1314 CA GLU A 91 7.431 2.031 6.719 1.00 42.14 C ATOM 1315 C GLU A 91 6.572 0.837 7.005 1.00 34.40 C ATOM 1316 O GLU A 91 6.004 0.713 8.097 1.00 51.30 O ATOM 1317 CB GLU A 91 8.708 1.926 7.541 1.00 3.12 C ATOM 1318 CG GLU A 91 9.624 3.122 7.458 1.00 61.13 C ATOM 1319 CD GLU A 91 10.905 2.885 8.197 1.00 32.11 C ATOM 1320 OE1 GLU A 91 10.871 2.614 9.398 1.00 73.33 O ATOM 1321 OE2 GLU A 91 11.979 2.980 7.585 1.00 1.53 O ATOM 0 H GLU A 91 6.368 3.234 8.022 1.00 1.41 H new ATOM 0 HA GLU A 91 7.722 2.087 5.670 1.00 42.14 H new ATOM 0 HB2 GLU A 91 8.437 1.767 8.585 1.00 3.12 H new ATOM 0 HB3 GLU A 91 9.259 1.043 7.217 1.00 3.12 H new ATOM 0 HG2 GLU A 91 9.841 3.343 6.413 1.00 61.13 H new ATOM 0 HG3 GLU A 91 9.121 3.996 7.871 1.00 61.13 H new ATOM 1328 N PHE A 92 6.449 -0.009 6.056 1.00 74.15 N ATOM 1329 CA PHE A 92 5.698 -1.194 6.222 1.00 42.22 C ATOM 1330 C PHE A 92 6.647 -2.355 6.382 1.00 51.45 C ATOM 1331 O PHE A 92 7.597 -2.527 5.599 1.00 70.14 O ATOM 1332 CB PHE A 92 4.710 -1.396 5.064 1.00 23.34 C ATOM 1333 CG PHE A 92 3.951 -2.689 5.126 1.00 15.51 C ATOM 1334 CD1 PHE A 92 3.014 -2.908 6.115 1.00 50.04 C ATOM 1335 CD2 PHE A 92 4.177 -3.681 4.194 1.00 14.14 C ATOM 1336 CE1 PHE A 92 2.316 -4.091 6.177 1.00 11.34 C ATOM 1337 CE2 PHE A 92 3.480 -4.867 4.249 1.00 5.42 C ATOM 1338 CZ PHE A 92 2.550 -5.072 5.243 1.00 70.12 C ATOM 0 H PHE A 92 6.870 0.101 5.133 1.00 74.15 H new ATOM 0 HA PHE A 92 5.089 -1.120 7.123 1.00 42.22 H new ATOM 0 HB2 PHE A 92 3.999 -0.570 5.058 1.00 23.34 H new ATOM 0 HB3 PHE A 92 5.257 -1.353 4.122 1.00 23.34 H new ATOM 0 HD1 PHE A 92 2.826 -2.140 6.850 1.00 50.04 H new ATOM 0 HD2 PHE A 92 4.908 -3.526 3.414 1.00 14.14 H new ATOM 0 HE1 PHE A 92 1.586 -4.249 6.957 1.00 11.34 H new ATOM 0 HE2 PHE A 92 3.663 -5.636 3.513 1.00 5.42 H new ATOM 0 HZ PHE A 92 2.005 -6.003 5.289 1.00 70.12 H new ATOM 1348 N ARG A 93 6.431 -3.090 7.419 1.00 13.33 N ATOM 1349 CA ARG A 93 7.217 -4.228 7.753 1.00 13.53 C ATOM 1350 C ARG A 93 6.357 -5.445 7.523 1.00 53.51 C ATOM 1351 O ARG A 93 5.263 -5.571 8.109 1.00 23.14 O ATOM 1352 CB ARG A 93 7.624 -4.156 9.224 1.00 34.54 C ATOM 1353 CG ARG A 93 8.336 -2.867 9.614 1.00 25.34 C ATOM 1354 CD ARG A 93 8.650 -2.842 11.095 1.00 50.23 C ATOM 1355 NE ARG A 93 9.581 -3.911 11.470 1.00 71.14 N ATOM 1356 CZ ARG A 93 9.679 -4.471 12.678 1.00 75.41 C ATOM 1357 NH1 ARG A 93 8.799 -4.189 13.624 1.00 14.42 N ATOM 1358 NH2 ARG A 93 10.630 -5.359 12.918 1.00 62.42 N ATOM 0 H ARG A 93 5.676 -2.909 8.080 1.00 13.33 H new ATOM 0 HA ARG A 93 8.121 -4.270 7.146 1.00 13.53 H new ATOM 0 HB2 ARG A 93 6.733 -4.266 9.842 1.00 34.54 H new ATOM 0 HB3 ARG A 93 8.275 -5.000 9.451 1.00 34.54 H new ATOM 0 HG2 ARG A 93 9.259 -2.771 9.042 1.00 25.34 H new ATOM 0 HG3 ARG A 93 7.711 -2.011 9.357 1.00 25.34 H new ATOM 0 HD2 ARG A 93 9.080 -1.876 11.360 1.00 50.23 H new ATOM 0 HD3 ARG A 93 7.727 -2.947 11.665 1.00 50.23 H new ATOM 0 HE ARG A 93 10.209 -4.257 10.744 1.00 71.14 H new ATOM 0 HH11 ARG A 93 8.037 -3.538 13.434 1.00 14.42 H new ATOM 0 HH12 ARG A 93 8.883 -4.622 14.544 1.00 14.42 H new ATOM 0 HH21 ARG A 93 11.287 -5.615 12.181 1.00 62.42 H new ATOM 0 HH22 ARG A 93 10.706 -5.788 13.840 1.00 62.42 H new ATOM 1372 N ILE A 94 6.808 -6.319 6.697 1.00 54.32 N ATOM 1373 CA ILE A 94 6.044 -7.481 6.379 1.00 65.23 C ATOM 1374 C ILE A 94 6.752 -8.728 6.835 1.00 52.33 C ATOM 1375 O ILE A 94 7.945 -8.928 6.583 1.00 13.04 O ATOM 1376 CB ILE A 94 5.615 -7.510 4.846 1.00 31.03 C ATOM 1377 CG1 ILE A 94 4.869 -8.810 4.394 1.00 62.34 C ATOM 1378 CG2 ILE A 94 6.773 -7.208 3.928 1.00 3.32 C ATOM 1379 CD1 ILE A 94 5.745 -10.030 4.113 1.00 55.33 C ATOM 0 H ILE A 94 7.709 -6.255 6.223 1.00 54.32 H new ATOM 0 HA ILE A 94 5.107 -7.440 6.935 1.00 65.23 H new ATOM 0 HB ILE A 94 4.881 -6.709 4.760 1.00 31.03 H new ATOM 0 HG12 ILE A 94 4.148 -9.077 5.167 1.00 62.34 H new ATOM 0 HG13 ILE A 94 4.300 -8.582 3.493 1.00 62.34 H new ATOM 0 HG21 ILE A 94 6.434 -7.239 2.893 1.00 3.32 H new ATOM 0 HG22 ILE A 94 7.166 -6.216 4.152 1.00 3.32 H new ATOM 0 HG23 ILE A 94 7.557 -7.951 4.075 1.00 3.32 H new ATOM 0 HD11 ILE A 94 5.116 -10.867 3.809 1.00 55.33 H new ATOM 0 HD12 ILE A 94 6.449 -9.796 3.315 1.00 55.33 H new ATOM 0 HD13 ILE A 94 6.295 -10.299 5.015 1.00 55.33 H new ATOM 1391 N ASN A 95 6.036 -9.491 7.596 1.00 34.43 N ATOM 1392 CA ASN A 95 6.447 -10.772 8.061 1.00 22.43 C ATOM 1393 C ASN A 95 5.441 -11.749 7.496 1.00 4.34 C ATOM 1394 O ASN A 95 4.277 -11.392 7.329 1.00 23.44 O ATOM 1395 CB ASN A 95 6.486 -10.791 9.607 1.00 53.22 C ATOM 1396 CG ASN A 95 6.721 -12.166 10.193 1.00 62.12 C ATOM 1397 OD1 ASN A 95 5.774 -12.891 10.479 1.00 64.24 O ATOM 1398 ND2 ASN A 95 7.961 -12.534 10.393 1.00 13.34 N ATOM 0 H ASN A 95 5.108 -9.224 7.924 1.00 34.43 H new ATOM 0 HA ASN A 95 7.454 -11.034 7.737 1.00 22.43 H new ATOM 0 HB2 ASN A 95 7.274 -10.120 9.950 1.00 53.22 H new ATOM 0 HB3 ASN A 95 5.544 -10.399 9.990 1.00 53.22 H new ATOM 0 HD21 ASN A 95 8.163 -13.448 10.798 1.00 13.34 H new ATOM 0 HD22 ASN A 95 8.726 -11.907 10.144 1.00 13.34 H new ATOM 1405 N GLU A 96 5.871 -12.935 7.163 1.00 12.14 N ATOM 1406 CA GLU A 96 5.014 -13.920 6.515 1.00 71.21 C ATOM 1407 C GLU A 96 3.816 -14.324 7.389 1.00 11.53 C ATOM 1408 O GLU A 96 2.825 -14.867 6.885 1.00 34.35 O ATOM 1409 CB GLU A 96 5.824 -15.161 6.070 1.00 63.14 C ATOM 1410 CG GLU A 96 6.338 -16.088 7.185 1.00 1.45 C ATOM 1411 CD GLU A 96 7.188 -15.403 8.226 1.00 14.35 C ATOM 1412 OE1 GLU A 96 7.979 -14.513 7.879 1.00 41.21 O ATOM 1413 OE2 GLU A 96 7.031 -15.712 9.425 1.00 34.14 O ATOM 0 H GLU A 96 6.825 -13.257 7.329 1.00 12.14 H new ATOM 0 HA GLU A 96 4.606 -13.442 5.624 1.00 71.21 H new ATOM 0 HB2 GLU A 96 5.201 -15.751 5.398 1.00 63.14 H new ATOM 0 HB3 GLU A 96 6.681 -14.818 5.491 1.00 63.14 H new ATOM 0 HG2 GLU A 96 5.483 -16.550 7.679 1.00 1.45 H new ATOM 0 HG3 GLU A 96 6.918 -16.893 6.733 1.00 1.45 H new ATOM 1420 N GLY A 97 3.913 -14.071 8.681 1.00 32.21 N ATOM 1421 CA GLY A 97 2.835 -14.382 9.570 1.00 35.11 C ATOM 1422 C GLY A 97 2.049 -13.155 10.011 1.00 10.54 C ATOM 1423 O GLY A 97 0.831 -13.241 10.217 1.00 64.15 O ATOM 0 H GLY A 97 4.729 -13.652 9.127 1.00 32.21 H new ATOM 0 HA2 GLY A 97 2.159 -15.082 9.080 1.00 35.11 H new ATOM 0 HA3 GLY A 97 3.233 -14.887 10.450 1.00 35.11 H new ATOM 1427 N GLU A 98 2.715 -12.011 10.123 1.00 61.13 N ATOM 1428 CA GLU A 98 2.090 -10.806 10.644 1.00 64.01 C ATOM 1429 C GLU A 98 2.581 -9.560 9.917 1.00 75.24 C ATOM 1430 O GLU A 98 3.671 -9.545 9.372 1.00 23.22 O ATOM 1431 CB GLU A 98 2.321 -10.714 12.151 1.00 42.00 C ATOM 1432 CG GLU A 98 3.762 -10.906 12.579 1.00 75.44 C ATOM 1433 CD GLU A 98 3.908 -10.953 14.071 1.00 23.34 C ATOM 1434 OE1 GLU A 98 3.391 -11.896 14.692 1.00 63.10 O ATOM 1435 OE2 GLU A 98 4.540 -10.063 14.654 1.00 75.12 O ATOM 0 H GLU A 98 3.693 -11.895 9.858 1.00 61.13 H new ATOM 0 HA GLU A 98 1.017 -10.864 10.464 1.00 64.01 H new ATOM 0 HB2 GLU A 98 1.979 -9.740 12.499 1.00 42.00 H new ATOM 0 HB3 GLU A 98 1.705 -11.464 12.647 1.00 42.00 H new ATOM 0 HG2 GLU A 98 4.147 -11.830 12.149 1.00 75.44 H new ATOM 0 HG3 GLU A 98 4.369 -10.092 12.182 1.00 75.44 H new ATOM 1442 N PHE A 99 1.784 -8.517 9.928 1.00 23.42 N ATOM 1443 CA PHE A 99 2.086 -7.322 9.159 1.00 55.35 C ATOM 1444 C PHE A 99 2.036 -6.087 10.064 1.00 1.05 C ATOM 1445 O PHE A 99 1.042 -5.868 10.760 1.00 14.04 O ATOM 1446 CB PHE A 99 1.053 -7.172 8.024 1.00 14.41 C ATOM 1447 CG PHE A 99 0.878 -8.395 7.151 1.00 40.44 C ATOM 1448 CD1 PHE A 99 1.754 -8.667 6.119 1.00 51.02 C ATOM 1449 CD2 PHE A 99 -0.175 -9.274 7.377 1.00 23.35 C ATOM 1450 CE1 PHE A 99 1.585 -9.790 5.325 1.00 64.40 C ATOM 1451 CE2 PHE A 99 -0.347 -10.394 6.590 1.00 52.34 C ATOM 1452 CZ PHE A 99 0.535 -10.653 5.562 1.00 73.11 C ATOM 0 H PHE A 99 0.916 -8.468 10.462 1.00 23.42 H new ATOM 0 HA PHE A 99 3.087 -7.411 8.737 1.00 55.35 H new ATOM 0 HB2 PHE A 99 0.088 -6.917 8.463 1.00 14.41 H new ATOM 0 HB3 PHE A 99 1.348 -6.333 7.393 1.00 14.41 H new ATOM 0 HD1 PHE A 99 2.580 -7.997 5.929 1.00 51.02 H new ATOM 0 HD2 PHE A 99 -0.869 -9.077 8.181 1.00 23.35 H new ATOM 0 HE1 PHE A 99 2.276 -9.990 4.520 1.00 64.40 H new ATOM 0 HE2 PHE A 99 -1.171 -11.067 6.779 1.00 52.34 H new ATOM 0 HZ PHE A 99 0.404 -11.529 4.944 1.00 73.11 H new ATOM 1462 N GLU A 100 3.076 -5.278 10.039 1.00 63.44 N ATOM 1463 CA GLU A 100 3.152 -4.086 10.884 1.00 61.24 C ATOM 1464 C GLU A 100 3.483 -2.861 10.040 1.00 30.22 C ATOM 1465 O GLU A 100 4.334 -2.922 9.166 1.00 63.15 O ATOM 1466 CB GLU A 100 4.229 -4.255 11.977 1.00 70.33 C ATOM 1467 CG GLU A 100 4.372 -3.040 12.898 1.00 15.22 C ATOM 1468 CD GLU A 100 5.500 -3.169 13.894 1.00 21.14 C ATOM 1469 OE1 GLU A 100 5.291 -3.744 14.988 1.00 20.13 O ATOM 1470 OE2 GLU A 100 6.618 -2.693 13.623 1.00 4.12 O ATOM 0 H GLU A 100 3.890 -5.419 9.441 1.00 63.44 H new ATOM 0 HA GLU A 100 2.181 -3.951 11.360 1.00 61.24 H new ATOM 0 HB2 GLU A 100 3.987 -5.130 12.580 1.00 70.33 H new ATOM 0 HB3 GLU A 100 5.189 -4.453 11.500 1.00 70.33 H new ATOM 0 HG2 GLU A 100 4.535 -2.150 12.290 1.00 15.22 H new ATOM 0 HG3 GLU A 100 3.437 -2.891 13.437 1.00 15.22 H new ATOM 1477 N VAL A 101 2.797 -1.777 10.269 1.00 33.44 N ATOM 1478 CA VAL A 101 3.124 -0.549 9.592 1.00 55.44 C ATOM 1479 C VAL A 101 3.466 0.511 10.630 1.00 40.32 C ATOM 1480 O VAL A 101 2.744 0.677 11.628 1.00 43.01 O ATOM 1481 CB VAL A 101 1.989 -0.062 8.619 1.00 12.40 C ATOM 1482 CG1 VAL A 101 0.700 0.271 9.347 1.00 24.24 C ATOM 1483 CG2 VAL A 101 2.455 1.112 7.764 1.00 40.22 C ATOM 0 H VAL A 101 2.011 -1.716 10.916 1.00 33.44 H new ATOM 0 HA VAL A 101 3.989 -0.732 8.955 1.00 55.44 H new ATOM 0 HB VAL A 101 1.770 -0.899 7.956 1.00 12.40 H new ATOM 0 HG11 VAL A 101 -0.049 0.602 8.628 1.00 24.24 H new ATOM 0 HG12 VAL A 101 0.337 -0.615 9.868 1.00 24.24 H new ATOM 0 HG13 VAL A 101 0.885 1.066 10.069 1.00 24.24 H new ATOM 0 HG21 VAL A 101 1.647 1.424 7.103 1.00 40.22 H new ATOM 0 HG22 VAL A 101 2.737 1.943 8.410 1.00 40.22 H new ATOM 0 HG23 VAL A 101 3.315 0.809 7.167 1.00 40.22 H new ATOM 1493 N VAL A 102 4.581 1.163 10.449 1.00 24.32 N ATOM 1494 CA VAL A 102 5.002 2.194 11.364 1.00 63.50 C ATOM 1495 C VAL A 102 5.049 3.543 10.683 1.00 71.43 C ATOM 1496 O VAL A 102 5.612 3.696 9.589 1.00 62.33 O ATOM 1497 CB VAL A 102 6.355 1.882 12.086 1.00 55.20 C ATOM 1498 CG1 VAL A 102 6.205 0.691 13.017 1.00 63.24 C ATOM 1499 CG2 VAL A 102 7.483 1.624 11.089 1.00 31.41 C ATOM 0 H VAL A 102 5.220 0.999 9.671 1.00 24.32 H new ATOM 0 HA VAL A 102 4.244 2.222 12.147 1.00 63.50 H new ATOM 0 HB VAL A 102 6.618 2.763 12.672 1.00 55.20 H new ATOM 0 HG11 VAL A 102 7.157 0.491 13.509 1.00 63.24 H new ATOM 0 HG12 VAL A 102 5.447 0.910 13.769 1.00 63.24 H new ATOM 0 HG13 VAL A 102 5.903 -0.184 12.442 1.00 63.24 H new ATOM 0 HG21 VAL A 102 8.405 1.411 11.630 1.00 31.41 H new ATOM 0 HG22 VAL A 102 7.226 0.771 10.461 1.00 31.41 H new ATOM 0 HG23 VAL A 102 7.624 2.505 10.463 1.00 31.41 H new ATOM 1509 N ASP A 103 4.432 4.493 11.309 1.00 73.31 N ATOM 1510 CA ASP A 103 4.381 5.845 10.826 1.00 71.03 C ATOM 1511 C ASP A 103 5.593 6.582 11.306 1.00 30.14 C ATOM 1512 O ASP A 103 5.864 6.655 12.518 1.00 62.01 O ATOM 1513 CB ASP A 103 3.121 6.546 11.319 1.00 10.02 C ATOM 1514 CG ASP A 103 3.103 8.035 11.027 1.00 20.52 C ATOM 1515 OD1 ASP A 103 2.687 8.427 9.935 1.00 51.03 O ATOM 1516 OD2 ASP A 103 3.489 8.828 11.917 1.00 61.42 O ATOM 0 H ASP A 103 3.937 4.353 12.190 1.00 73.31 H new ATOM 0 HA ASP A 103 4.361 5.833 9.736 1.00 71.03 H new ATOM 0 HB2 ASP A 103 2.251 6.082 10.854 1.00 10.02 H new ATOM 0 HB3 ASP A 103 3.027 6.393 12.394 1.00 10.02 H new ATOM 1521 N VAL A 104 6.342 7.081 10.383 1.00 65.03 N ATOM 1522 CA VAL A 104 7.530 7.833 10.689 1.00 73.34 C ATOM 1523 C VAL A 104 7.399 9.248 10.160 1.00 11.52 C ATOM 1524 O VAL A 104 8.278 10.090 10.354 1.00 50.55 O ATOM 1525 CB VAL A 104 8.814 7.144 10.145 1.00 42.14 C ATOM 1526 CG1 VAL A 104 9.080 5.852 10.900 1.00 71.34 C ATOM 1527 CG2 VAL A 104 8.682 6.846 8.665 1.00 32.11 C ATOM 0 H VAL A 104 6.154 6.983 9.385 1.00 65.03 H new ATOM 0 HA VAL A 104 7.633 7.872 11.773 1.00 73.34 H new ATOM 0 HB VAL A 104 9.650 7.828 10.292 1.00 42.14 H new ATOM 0 HG11 VAL A 104 9.982 5.381 10.508 1.00 71.34 H new ATOM 0 HG12 VAL A 104 9.216 6.071 11.959 1.00 71.34 H new ATOM 0 HG13 VAL A 104 8.234 5.176 10.775 1.00 71.34 H new ATOM 0 HG21 VAL A 104 9.592 6.364 8.308 1.00 32.11 H new ATOM 0 HG22 VAL A 104 7.833 6.183 8.502 1.00 32.11 H new ATOM 0 HG23 VAL A 104 8.526 7.776 8.119 1.00 32.11 H new ATOM 1537 N GLY A 105 6.278 9.505 9.524 1.00 12.32 N ATOM 1538 CA GLY A 105 5.977 10.792 8.987 1.00 31.15 C ATOM 1539 C GLY A 105 4.855 11.403 9.747 1.00 1.51 C ATOM 1540 O GLY A 105 3.874 11.897 9.167 1.00 71.41 O ATOM 0 H GLY A 105 5.547 8.810 9.369 1.00 12.32 H new ATOM 0 HA2 GLY A 105 6.857 11.433 9.040 1.00 31.15 H new ATOM 0 HA3 GLY A 105 5.710 10.704 7.934 1.00 31.15 H new ATOM 1544 N SER A 106 5.027 11.424 11.065 1.00 65.34 N ATOM 1545 CA SER A 106 4.040 11.929 12.024 1.00 51.15 C ATOM 1546 C SER A 106 3.757 13.424 11.831 1.00 15.24 C ATOM 1547 O SER A 106 2.887 13.995 12.474 1.00 24.43 O ATOM 1548 CB SER A 106 4.548 11.648 13.424 1.00 74.14 C ATOM 1549 OG SER A 106 4.929 10.279 13.516 1.00 51.33 O ATOM 0 H SER A 106 5.878 11.082 11.511 1.00 65.34 H new ATOM 0 HA SER A 106 3.092 11.417 11.859 1.00 51.15 H new ATOM 0 HB2 SER A 106 5.398 12.291 13.651 1.00 74.14 H new ATOM 0 HB3 SER A 106 3.773 11.873 14.157 1.00 74.14 H new ATOM 0 HG SER A 106 4.399 9.749 12.885 1.00 51.33 H new ATOM 1555 N LEU A 107 4.504 14.029 10.923 1.00 20.32 N ATOM 1556 CA LEU A 107 4.328 15.400 10.509 1.00 4.30 C ATOM 1557 C LEU A 107 2.953 15.562 9.886 1.00 12.52 C ATOM 1558 O LEU A 107 2.354 16.632 9.930 1.00 2.45 O ATOM 1559 CB LEU A 107 5.372 15.735 9.453 1.00 34.32 C ATOM 1560 CG LEU A 107 6.841 15.571 9.852 1.00 13.23 C ATOM 1561 CD1 LEU A 107 7.753 15.963 8.705 1.00 3.23 C ATOM 1562 CD2 LEU A 107 7.166 16.380 11.094 1.00 61.20 C ATOM 0 H LEU A 107 5.272 13.560 10.442 1.00 20.32 H new ATOM 0 HA LEU A 107 4.431 16.058 11.372 1.00 4.30 H new ATOM 0 HB2 LEU A 107 5.186 15.108 8.581 1.00 34.32 H new ATOM 0 HB3 LEU A 107 5.219 16.768 9.141 1.00 34.32 H new ATOM 0 HG LEU A 107 7.010 14.519 10.084 1.00 13.23 H new ATOM 0 HD11 LEU A 107 8.793 15.840 9.008 1.00 3.23 H new ATOM 0 HD12 LEU A 107 7.548 15.327 7.844 1.00 3.23 H new ATOM 0 HD13 LEU A 107 7.574 17.004 8.438 1.00 3.23 H new ATOM 0 HD21 LEU A 107 8.216 16.243 11.353 1.00 61.20 H new ATOM 0 HD22 LEU A 107 6.974 17.436 10.901 1.00 61.20 H new ATOM 0 HD23 LEU A 107 6.542 16.043 11.921 1.00 61.20 H new ATOM 1574 N ASN A 108 2.483 14.492 9.285 1.00 74.30 N ATOM 1575 CA ASN A 108 1.182 14.465 8.652 1.00 2.20 C ATOM 1576 C ASN A 108 0.391 13.311 9.217 1.00 30.52 C ATOM 1577 O ASN A 108 -0.814 13.433 9.486 1.00 40.11 O ATOM 1578 CB ASN A 108 1.316 14.303 7.135 1.00 51.23 C ATOM 1579 CG ASN A 108 2.156 15.385 6.488 1.00 33.50 C ATOM 1580 OD1 ASN A 108 3.372 15.250 6.376 1.00 15.52 O ATOM 1581 ND2 ASN A 108 1.536 16.463 6.074 1.00 41.12 N ATOM 0 H ASN A 108 2.994 13.612 9.221 1.00 74.30 H new ATOM 0 HA ASN A 108 0.671 15.407 8.850 1.00 2.20 H new ATOM 0 HB2 ASN A 108 1.759 13.331 6.918 1.00 51.23 H new ATOM 0 HB3 ASN A 108 0.322 14.308 6.687 1.00 51.23 H new ATOM 0 HD21 ASN A 108 2.065 17.222 5.644 1.00 41.12 H new ATOM 0 HD22 ASN A 108 0.525 16.543 6.182 1.00 41.12 H new ATOM 1588 N GLY A 109 1.077 12.194 9.411 1.00 72.13 N ATOM 1589 CA GLY A 109 0.463 11.014 9.980 1.00 61.41 C ATOM 1590 C GLY A 109 -0.125 10.078 8.935 1.00 31.53 C ATOM 1591 O GLY A 109 -0.781 10.517 7.987 1.00 32.10 O ATOM 0 H GLY A 109 2.064 12.085 9.180 1.00 72.13 H new ATOM 0 HA2 GLY A 109 1.206 10.473 10.565 1.00 61.41 H new ATOM 0 HA3 GLY A 109 -0.325 11.319 10.669 1.00 61.41 H new ATOM 1595 N THR A 110 0.177 8.818 9.058 1.00 22.25 N ATOM 1596 CA THR A 110 -0.409 7.784 8.236 1.00 65.33 C ATOM 1597 C THR A 110 -1.788 7.424 8.821 1.00 14.44 C ATOM 1598 O THR A 110 -1.933 7.302 10.056 1.00 42.35 O ATOM 1599 CB THR A 110 0.502 6.534 8.250 1.00 50.21 C ATOM 1600 OG1 THR A 110 1.838 6.917 7.901 1.00 53.33 O ATOM 1601 CG2 THR A 110 0.012 5.488 7.252 1.00 62.31 C ATOM 0 H THR A 110 0.848 8.468 9.742 1.00 22.25 H new ATOM 0 HA THR A 110 -0.516 8.134 7.209 1.00 65.33 H new ATOM 0 HB THR A 110 0.477 6.103 9.251 1.00 50.21 H new ATOM 0 HG1 THR A 110 2.320 7.194 8.708 1.00 53.33 H new ATOM 0 HG21 THR A 110 0.670 4.620 7.282 1.00 62.31 H new ATOM 0 HG22 THR A 110 -1.002 5.184 7.512 1.00 62.31 H new ATOM 0 HG23 THR A 110 0.017 5.912 6.248 1.00 62.31 H new ATOM 1609 N TYR A 111 -2.803 7.271 7.983 1.00 23.25 N ATOM 1610 CA TYR A 111 -4.110 6.987 8.499 1.00 5.53 C ATOM 1611 C TYR A 111 -4.505 5.607 8.049 1.00 40.44 C ATOM 1612 O TYR A 111 -4.330 5.263 6.893 1.00 1.44 O ATOM 1613 CB TYR A 111 -5.130 8.009 7.961 1.00 75.11 C ATOM 1614 CG TYR A 111 -4.645 9.446 7.986 1.00 31.02 C ATOM 1615 CD1 TYR A 111 -4.531 10.149 9.174 1.00 14.44 C ATOM 1616 CD2 TYR A 111 -4.269 10.085 6.807 1.00 63.44 C ATOM 1617 CE1 TYR A 111 -4.063 11.450 9.190 1.00 55.14 C ATOM 1618 CE2 TYR A 111 -3.796 11.379 6.816 1.00 42.32 C ATOM 1619 CZ TYR A 111 -3.696 12.057 8.007 1.00 34.23 C ATOM 1620 OH TYR A 111 -3.203 13.345 8.022 1.00 3.44 O ATOM 0 H TYR A 111 -2.739 7.339 6.967 1.00 23.25 H new ATOM 0 HA TYR A 111 -4.096 7.047 9.587 1.00 5.53 H new ATOM 0 HB2 TYR A 111 -5.388 7.742 6.936 1.00 75.11 H new ATOM 0 HB3 TYR A 111 -6.045 7.936 8.549 1.00 75.11 H new ATOM 0 HD1 TYR A 111 -4.812 9.674 10.102 1.00 14.44 H new ATOM 0 HD2 TYR A 111 -4.350 9.557 5.869 1.00 63.44 H new ATOM 0 HE1 TYR A 111 -3.985 11.988 10.123 1.00 55.14 H new ATOM 0 HE2 TYR A 111 -3.506 11.858 5.892 1.00 42.32 H new ATOM 0 HH TYR A 111 -2.377 13.373 8.549 1.00 3.44 H new ATOM 1630 N VAL A 112 -5.021 4.823 8.936 1.00 52.50 N ATOM 1631 CA VAL A 112 -5.492 3.511 8.586 1.00 65.05 C ATOM 1632 C VAL A 112 -6.945 3.462 8.937 1.00 15.54 C ATOM 1633 O VAL A 112 -7.299 3.515 10.121 1.00 45.32 O ATOM 1634 CB VAL A 112 -4.722 2.369 9.318 1.00 12.30 C ATOM 1635 CG1 VAL A 112 -5.247 1.002 8.888 1.00 12.02 C ATOM 1636 CG2 VAL A 112 -3.219 2.461 9.047 1.00 62.12 C ATOM 0 H VAL A 112 -5.131 5.065 9.921 1.00 52.50 H new ATOM 0 HA VAL A 112 -5.323 3.345 7.522 1.00 65.05 H new ATOM 0 HB VAL A 112 -4.889 2.488 10.389 1.00 12.30 H new ATOM 0 HG11 VAL A 112 -4.696 0.220 9.410 1.00 12.02 H new ATOM 0 HG12 VAL A 112 -6.306 0.925 9.133 1.00 12.02 H new ATOM 0 HG13 VAL A 112 -5.114 0.883 7.813 1.00 12.02 H new ATOM 0 HG21 VAL A 112 -2.705 1.654 9.569 1.00 62.12 H new ATOM 0 HG22 VAL A 112 -3.036 2.375 7.976 1.00 62.12 H new ATOM 0 HG23 VAL A 112 -2.843 3.420 9.403 1.00 62.12 H new ATOM 1646 N ASN A 113 -7.763 3.404 7.900 1.00 14.42 N ATOM 1647 CA ASN A 113 -9.221 3.429 7.976 1.00 1.03 C ATOM 1648 C ASN A 113 -9.713 4.488 8.953 1.00 72.42 C ATOM 1649 O ASN A 113 -10.130 4.189 10.083 1.00 64.34 O ATOM 1650 CB ASN A 113 -9.799 2.045 8.280 1.00 63.22 C ATOM 1651 CG ASN A 113 -11.309 1.927 8.074 1.00 51.22 C ATOM 1652 OD1 ASN A 113 -12.087 2.864 8.272 1.00 72.33 O ATOM 1653 ND2 ASN A 113 -11.729 0.776 7.669 1.00 13.01 N ATOM 0 H ASN A 113 -7.420 3.335 6.942 1.00 14.42 H new ATOM 0 HA ASN A 113 -9.593 3.711 6.991 1.00 1.03 H new ATOM 0 HB2 ASN A 113 -9.301 1.311 7.647 1.00 63.22 H new ATOM 0 HB3 ASN A 113 -9.565 1.787 9.313 1.00 63.22 H new ATOM 0 HD21 ASN A 113 -12.724 0.625 7.505 1.00 13.01 H new ATOM 0 HD22 ASN A 113 -11.066 0.017 7.513 1.00 13.01 H new ATOM 1660 N ARG A 114 -9.537 5.740 8.542 1.00 12.32 N ATOM 1661 CA ARG A 114 -9.970 6.945 9.265 1.00 70.23 C ATOM 1662 C ARG A 114 -9.100 7.266 10.494 1.00 51.32 C ATOM 1663 O ARG A 114 -8.991 8.425 10.877 1.00 75.22 O ATOM 1664 CB ARG A 114 -11.455 6.863 9.667 1.00 41.22 C ATOM 1665 CG ARG A 114 -12.410 6.615 8.509 1.00 63.31 C ATOM 1666 CD ARG A 114 -13.829 6.427 9.008 1.00 25.34 C ATOM 1667 NE ARG A 114 -14.766 6.126 7.917 1.00 12.01 N ATOM 1668 CZ ARG A 114 -16.033 5.718 8.084 1.00 40.43 C ATOM 1669 NH1 ARG A 114 -16.543 5.612 9.298 1.00 53.01 N ATOM 1670 NH2 ARG A 114 -16.781 5.422 7.033 1.00 15.22 N ATOM 0 H ARG A 114 -9.071 5.958 7.661 1.00 12.32 H new ATOM 0 HA ARG A 114 -9.841 7.768 8.562 1.00 70.23 H new ATOM 0 HB2 ARG A 114 -11.577 6.064 10.399 1.00 41.22 H new ATOM 0 HB3 ARG A 114 -11.736 7.793 10.161 1.00 41.22 H new ATOM 0 HG2 ARG A 114 -12.373 7.455 7.815 1.00 63.31 H new ATOM 0 HG3 ARG A 114 -12.095 5.730 7.956 1.00 63.31 H new ATOM 0 HD2 ARG A 114 -13.851 5.617 9.738 1.00 25.34 H new ATOM 0 HD3 ARG A 114 -14.153 7.330 9.524 1.00 25.34 H new ATOM 0 HE ARG A 114 -14.428 6.235 6.961 1.00 12.01 H new ATOM 0 HH11 ARG A 114 -15.973 5.841 10.112 1.00 53.01 H new ATOM 0 HH12 ARG A 114 -17.507 5.301 9.421 1.00 53.01 H new ATOM 0 HH21 ARG A 114 -16.394 5.504 6.093 1.00 15.22 H new ATOM 0 HH22 ARG A 114 -17.744 5.112 7.163 1.00 15.22 H new ATOM 1684 N GLU A 115 -8.481 6.270 11.081 1.00 25.15 N ATOM 1685 CA GLU A 115 -7.709 6.439 12.299 1.00 35.22 C ATOM 1686 C GLU A 115 -6.235 6.754 12.016 1.00 75.33 C ATOM 1687 O GLU A 115 -5.538 5.955 11.387 1.00 21.04 O ATOM 1688 CB GLU A 115 -7.799 5.162 13.139 1.00 23.22 C ATOM 1689 CG GLU A 115 -9.206 4.811 13.590 1.00 13.32 C ATOM 1690 CD GLU A 115 -9.773 5.833 14.535 1.00 23.24 C ATOM 1691 OE1 GLU A 115 -9.558 5.708 15.751 1.00 42.11 O ATOM 1692 OE2 GLU A 115 -10.439 6.790 14.082 1.00 73.23 O ATOM 0 H GLU A 115 -8.496 5.313 10.729 1.00 25.15 H new ATOM 0 HA GLU A 115 -8.131 7.287 12.839 1.00 35.22 H new ATOM 0 HB2 GLU A 115 -7.397 4.331 12.560 1.00 23.22 H new ATOM 0 HB3 GLU A 115 -7.165 5.274 14.019 1.00 23.22 H new ATOM 0 HG2 GLU A 115 -9.854 4.726 12.718 1.00 13.32 H new ATOM 0 HG3 GLU A 115 -9.197 3.835 14.076 1.00 13.32 H new ATOM 1699 N PRO A 116 -5.743 7.935 12.447 1.00 12.23 N ATOM 1700 CA PRO A 116 -4.316 8.262 12.375 1.00 71.30 C ATOM 1701 C PRO A 116 -3.549 7.289 13.264 1.00 53.34 C ATOM 1702 O PRO A 116 -3.924 7.074 14.434 1.00 15.41 O ATOM 1703 CB PRO A 116 -4.240 9.687 12.953 1.00 70.21 C ATOM 1704 CG PRO A 116 -5.623 10.221 12.838 1.00 32.53 C ATOM 1705 CD PRO A 116 -6.530 9.042 13.012 1.00 65.13 C ATOM 0 HA PRO A 116 -3.896 8.198 11.371 1.00 71.30 H new ATOM 0 HB2 PRO A 116 -3.906 9.675 13.991 1.00 70.21 H new ATOM 0 HB3 PRO A 116 -3.532 10.301 12.397 1.00 70.21 H new ATOM 0 HG2 PRO A 116 -5.815 10.978 13.599 1.00 32.53 H new ATOM 0 HG3 PRO A 116 -5.780 10.696 11.869 1.00 32.53 H new ATOM 0 HD2 PRO A 116 -6.773 8.871 14.061 1.00 65.13 H new ATOM 0 HD3 PRO A 116 -7.474 9.177 12.484 1.00 65.13 H new ATOM 1713 N ARG A 117 -2.538 6.664 12.724 1.00 75.12 N ATOM 1714 CA ARG A 117 -1.803 5.647 13.445 1.00 53.44 C ATOM 1715 C ARG A 117 -0.339 5.997 13.521 1.00 63.10 C ATOM 1716 O ARG A 117 0.189 6.628 12.619 1.00 31.43 O ATOM 1717 CB ARG A 117 -1.952 4.290 12.739 1.00 32.31 C ATOM 1718 CG ARG A 117 -3.383 3.749 12.613 1.00 2.32 C ATOM 1719 CD ARG A 117 -3.974 3.271 13.941 1.00 40.35 C ATOM 1720 NE ARG A 117 -4.174 4.338 14.930 1.00 24.42 N ATOM 1721 CZ ARG A 117 -4.634 4.141 16.170 1.00 23.23 C ATOM 1722 NH1 ARG A 117 -4.958 2.917 16.573 1.00 42.30 N ATOM 1723 NH2 ARG A 117 -4.766 5.166 17.000 1.00 62.45 N ATOM 0 H ARG A 117 -2.198 6.840 11.779 1.00 75.12 H new ATOM 0 HA ARG A 117 -2.211 5.589 14.454 1.00 53.44 H new ATOM 0 HB2 ARG A 117 -1.528 4.375 11.739 1.00 32.31 H new ATOM 0 HB3 ARG A 117 -1.353 3.555 13.278 1.00 32.31 H new ATOM 0 HG2 ARG A 117 -4.023 4.529 12.199 1.00 2.32 H new ATOM 0 HG3 ARG A 117 -3.389 2.922 11.903 1.00 2.32 H new ATOM 0 HD2 ARG A 117 -4.931 2.787 13.747 1.00 40.35 H new ATOM 0 HD3 ARG A 117 -3.315 2.514 14.368 1.00 40.35 H new ATOM 0 HE ARG A 117 -3.947 5.293 14.653 1.00 24.42 H new ATOM 0 HH11 ARG A 117 -4.856 2.127 15.936 1.00 42.30 H new ATOM 0 HH12 ARG A 117 -5.309 2.768 17.519 1.00 42.30 H new ATOM 0 HH21 ARG A 117 -4.517 6.106 16.693 1.00 62.45 H new ATOM 0 HH22 ARG A 117 -5.117 5.015 17.946 1.00 62.45 H new ATOM 1737 N ASN A 118 0.276 5.646 14.623 1.00 72.01 N ATOM 1738 CA ASN A 118 1.726 5.759 14.788 1.00 64.51 C ATOM 1739 C ASN A 118 2.340 4.431 14.455 1.00 61.04 C ATOM 1740 O ASN A 118 3.420 4.337 13.875 1.00 1.25 O ATOM 1741 CB ASN A 118 2.100 6.159 16.215 1.00 53.41 C ATOM 1742 CG ASN A 118 1.769 7.597 16.522 1.00 1.11 C ATOM 1743 OD1 ASN A 118 1.830 8.451 15.651 1.00 3.01 O ATOM 1744 ND2 ASN A 118 1.405 7.870 17.742 1.00 14.12 N ATOM 0 H ASN A 118 -0.206 5.271 15.440 1.00 72.01 H new ATOM 0 HA ASN A 118 2.100 6.537 14.123 1.00 64.51 H new ATOM 0 HB2 ASN A 118 1.576 5.512 16.918 1.00 53.41 H new ATOM 0 HB3 ASN A 118 3.167 5.996 16.366 1.00 53.41 H new ATOM 0 HD21 ASN A 118 1.158 8.826 17.999 1.00 14.12 H new ATOM 0 HD22 ASN A 118 1.367 7.128 18.441 1.00 14.12 H new ATOM 1751 N ALA A 119 1.635 3.402 14.830 1.00 23.42 N ATOM 1752 CA ALA A 119 1.975 2.053 14.510 1.00 24.11 C ATOM 1753 C ALA A 119 0.675 1.315 14.410 1.00 75.41 C ATOM 1754 O ALA A 119 -0.243 1.578 15.195 1.00 14.30 O ATOM 1755 CB ALA A 119 2.855 1.442 15.593 1.00 30.42 C ATOM 0 H ALA A 119 0.782 3.486 15.384 1.00 23.42 H new ATOM 0 HA ALA A 119 2.541 1.998 13.580 1.00 24.11 H new ATOM 0 HB1 ALA A 119 3.100 0.414 15.326 1.00 30.42 H new ATOM 0 HB2 ALA A 119 3.773 2.022 15.686 1.00 30.42 H new ATOM 0 HB3 ALA A 119 2.322 1.452 16.544 1.00 30.42 H new ATOM 1761 N GLN A 120 0.560 0.454 13.458 1.00 73.20 N ATOM 1762 CA GLN A 120 -0.655 -0.282 13.264 1.00 62.35 C ATOM 1763 C GLN A 120 -0.347 -1.717 12.896 1.00 54.44 C ATOM 1764 O GLN A 120 0.681 -1.996 12.258 1.00 23.15 O ATOM 1765 CB GLN A 120 -1.504 0.384 12.160 1.00 4.44 C ATOM 1766 CG GLN A 120 -2.819 -0.325 11.849 1.00 32.53 C ATOM 1767 CD GLN A 120 -3.838 -0.241 12.970 1.00 25.35 C ATOM 1768 OE1 GLN A 120 -3.504 -0.127 14.148 1.00 13.10 O ATOM 1769 NE2 GLN A 120 -5.068 -0.363 12.625 1.00 53.02 N ATOM 0 H GLN A 120 1.300 0.236 12.790 1.00 73.20 H new ATOM 0 HA GLN A 120 -1.222 -0.278 14.195 1.00 62.35 H new ATOM 0 HB2 GLN A 120 -1.722 1.410 12.458 1.00 4.44 H new ATOM 0 HB3 GLN A 120 -0.911 0.436 11.247 1.00 4.44 H new ATOM 0 HG2 GLN A 120 -3.250 0.107 10.946 1.00 32.53 H new ATOM 0 HG3 GLN A 120 -2.614 -1.374 11.634 1.00 32.53 H new ATOM 0 HE21 GLN A 120 -5.314 -0.456 11.640 1.00 53.02 H new ATOM 0 HE22 GLN A 120 -5.799 -0.367 13.336 1.00 53.02 H new ATOM 1778 N VAL A 121 -1.217 -2.615 13.297 1.00 0.35 N ATOM 1779 CA VAL A 121 -1.122 -3.990 12.895 1.00 41.44 C ATOM 1780 C VAL A 121 -1.987 -4.101 11.666 1.00 70.32 C ATOM 1781 O VAL A 121 -3.174 -3.738 11.706 1.00 13.44 O ATOM 1782 CB VAL A 121 -1.634 -4.960 13.993 1.00 45.10 C ATOM 1783 CG1 VAL A 121 -1.530 -6.409 13.532 1.00 72.13 C ATOM 1784 CG2 VAL A 121 -0.860 -4.760 15.291 1.00 40.01 C ATOM 0 H VAL A 121 -2.006 -2.409 13.909 1.00 0.35 H new ATOM 0 HA VAL A 121 -0.084 -4.267 12.711 1.00 41.44 H new ATOM 0 HB VAL A 121 -2.684 -4.734 14.177 1.00 45.10 H new ATOM 0 HG11 VAL A 121 -1.895 -7.068 14.319 1.00 72.13 H new ATOM 0 HG12 VAL A 121 -2.131 -6.549 12.634 1.00 72.13 H new ATOM 0 HG13 VAL A 121 -0.489 -6.647 13.313 1.00 72.13 H new ATOM 0 HG21 VAL A 121 -1.234 -5.449 16.048 1.00 40.01 H new ATOM 0 HG22 VAL A 121 0.199 -4.952 15.117 1.00 40.01 H new ATOM 0 HG23 VAL A 121 -0.990 -3.735 15.638 1.00 40.01 H new ATOM 1794 N MET A 122 -1.420 -4.543 10.587 1.00 4.22 N ATOM 1795 CA MET A 122 -2.136 -4.543 9.343 1.00 32.33 C ATOM 1796 C MET A 122 -3.114 -5.669 9.197 1.00 4.32 C ATOM 1797 O MET A 122 -2.890 -6.794 9.654 1.00 15.33 O ATOM 1798 CB MET A 122 -1.236 -4.395 8.124 1.00 2.51 C ATOM 1799 CG MET A 122 -0.667 -2.999 7.972 1.00 30.01 C ATOM 1800 SD MET A 122 -1.962 -1.734 7.948 1.00 55.14 S ATOM 1801 CE MET A 122 -2.974 -2.287 6.576 1.00 23.51 C ATOM 0 H MET A 122 -0.469 -4.907 10.539 1.00 4.22 H new ATOM 0 HA MET A 122 -2.741 -3.638 9.386 1.00 32.33 H new ATOM 0 HB2 MET A 122 -0.416 -5.109 8.196 1.00 2.51 H new ATOM 0 HB3 MET A 122 -1.803 -4.650 7.228 1.00 2.51 H new ATOM 0 HG2 MET A 122 0.021 -2.797 8.793 1.00 30.01 H new ATOM 0 HG3 MET A 122 -0.088 -2.942 7.050 1.00 30.01 H new ATOM 0 HE1 MET A 122 -3.727 -1.532 6.352 1.00 23.51 H new ATOM 0 HE2 MET A 122 -2.345 -2.444 5.700 1.00 23.51 H new ATOM 0 HE3 MET A 122 -3.467 -3.223 6.841 1.00 23.51 H new ATOM 1811 N GLN A 123 -4.197 -5.343 8.564 1.00 3.41 N ATOM 1812 CA GLN A 123 -5.284 -6.230 8.350 1.00 52.01 C ATOM 1813 C GLN A 123 -5.529 -6.353 6.862 1.00 5.13 C ATOM 1814 O GLN A 123 -5.479 -5.356 6.132 1.00 71.32 O ATOM 1815 CB GLN A 123 -6.516 -5.663 9.056 1.00 31.43 C ATOM 1816 CG GLN A 123 -7.793 -6.444 8.852 1.00 52.14 C ATOM 1817 CD GLN A 123 -8.958 -5.801 9.558 1.00 72.13 C ATOM 1818 OE1 GLN A 123 -9.001 -4.583 9.745 1.00 3.53 O ATOM 1819 NE2 GLN A 123 -9.906 -6.586 9.937 1.00 43.12 N ATOM 0 H GLN A 123 -4.348 -4.415 8.169 1.00 3.41 H new ATOM 0 HA GLN A 123 -5.066 -7.220 8.751 1.00 52.01 H new ATOM 0 HB2 GLN A 123 -6.309 -5.609 10.125 1.00 31.43 H new ATOM 0 HB3 GLN A 123 -6.675 -4.642 8.710 1.00 31.43 H new ATOM 0 HG2 GLN A 123 -8.009 -6.517 7.786 1.00 52.14 H new ATOM 0 HG3 GLN A 123 -7.660 -7.461 9.221 1.00 52.14 H new ATOM 0 HE21 GLN A 123 -9.837 -7.589 9.766 1.00 43.12 H new ATOM 0 HE22 GLN A 123 -10.726 -6.205 10.409 1.00 43.12 H new ATOM 1828 N THR A 124 -5.762 -7.553 6.415 1.00 1.32 N ATOM 1829 CA THR A 124 -6.039 -7.793 5.035 1.00 74.41 C ATOM 1830 C THR A 124 -7.504 -7.442 4.751 1.00 14.25 C ATOM 1831 O THR A 124 -8.415 -7.883 5.466 1.00 52.43 O ATOM 1832 CB THR A 124 -5.701 -9.270 4.633 1.00 62.11 C ATOM 1833 OG1 THR A 124 -6.013 -9.517 3.255 1.00 42.11 O ATOM 1834 CG2 THR A 124 -6.419 -10.285 5.522 1.00 13.21 C ATOM 0 H THR A 124 -5.765 -8.389 6.999 1.00 1.32 H new ATOM 0 HA THR A 124 -5.401 -7.156 4.422 1.00 74.41 H new ATOM 0 HB THR A 124 -4.628 -9.396 4.779 1.00 62.11 H new ATOM 0 HG1 THR A 124 -6.100 -10.482 3.107 1.00 42.11 H new ATOM 0 HG21 THR A 124 -6.156 -11.295 5.207 1.00 13.21 H new ATOM 0 HG22 THR A 124 -6.118 -10.138 6.559 1.00 13.21 H new ATOM 0 HG23 THR A 124 -7.497 -10.147 5.434 1.00 13.21 H new ATOM 1842 N GLY A 125 -7.719 -6.607 3.769 1.00 74.50 N ATOM 1843 CA GLY A 125 -9.052 -6.199 3.432 1.00 4.14 C ATOM 1844 C GLY A 125 -9.413 -4.891 4.086 1.00 55.34 C ATOM 1845 O GLY A 125 -10.597 -4.562 4.232 1.00 3.33 O ATOM 0 H GLY A 125 -6.986 -6.197 3.190 1.00 74.50 H new ATOM 0 HA2 GLY A 125 -9.141 -6.102 2.350 1.00 4.14 H new ATOM 0 HA3 GLY A 125 -9.758 -6.969 3.742 1.00 4.14 H new ATOM 1849 N ASP A 126 -8.415 -4.148 4.502 1.00 20.22 N ATOM 1850 CA ASP A 126 -8.657 -2.859 5.108 1.00 21.13 C ATOM 1851 C ASP A 126 -7.987 -1.786 4.263 1.00 31.14 C ATOM 1852 O ASP A 126 -7.089 -2.095 3.453 1.00 53.01 O ATOM 1853 CB ASP A 126 -8.197 -2.823 6.577 1.00 72.23 C ATOM 1854 CG ASP A 126 -8.718 -1.604 7.325 1.00 50.44 C ATOM 1855 OD1 ASP A 126 -9.855 -1.126 7.002 1.00 72.31 O ATOM 1856 OD2 ASP A 126 -8.057 -1.147 8.273 1.00 21.30 O ATOM 0 H ASP A 126 -7.432 -4.411 4.433 1.00 20.22 H new ATOM 0 HA ASP A 126 -9.729 -2.666 5.133 1.00 21.13 H new ATOM 0 HB2 ASP A 126 -8.537 -3.727 7.082 1.00 72.23 H new ATOM 0 HB3 ASP A 126 -7.108 -2.828 6.613 1.00 72.23 H new ATOM 1861 N GLU A 127 -8.409 -0.560 4.429 1.00 34.33 N ATOM 1862 CA GLU A 127 -7.975 0.514 3.577 1.00 51.03 C ATOM 1863 C GLU A 127 -7.166 1.557 4.356 1.00 62.52 C ATOM 1864 O GLU A 127 -7.577 2.029 5.417 1.00 41.40 O ATOM 1865 CB GLU A 127 -9.200 1.121 2.908 1.00 21.24 C ATOM 1866 CG GLU A 127 -8.923 2.217 1.908 1.00 73.30 C ATOM 1867 CD GLU A 127 -10.191 2.689 1.264 1.00 31.05 C ATOM 1868 OE1 GLU A 127 -10.996 3.361 1.944 1.00 52.34 O ATOM 1869 OE2 GLU A 127 -10.413 2.402 0.085 1.00 45.21 O ATOM 0 H GLU A 127 -9.063 -0.279 5.159 1.00 34.33 H new ATOM 0 HA GLU A 127 -7.303 0.128 2.810 1.00 51.03 H new ATOM 0 HB2 GLU A 127 -9.748 0.325 2.404 1.00 21.24 H new ATOM 0 HB3 GLU A 127 -9.855 1.518 3.683 1.00 21.24 H new ATOM 0 HG2 GLU A 127 -8.431 3.053 2.406 1.00 73.30 H new ATOM 0 HG3 GLU A 127 -8.237 1.852 1.144 1.00 73.30 H new ATOM 1876 N ILE A 128 -6.041 1.906 3.801 1.00 41.23 N ATOM 1877 CA ILE A 128 -5.086 2.819 4.385 1.00 43.43 C ATOM 1878 C ILE A 128 -5.194 4.134 3.643 1.00 2.30 C ATOM 1879 O ILE A 128 -5.212 4.136 2.413 1.00 5.20 O ATOM 1880 CB ILE A 128 -3.595 2.312 4.232 1.00 51.04 C ATOM 1881 CG1 ILE A 128 -3.385 0.870 4.737 1.00 61.13 C ATOM 1882 CG2 ILE A 128 -2.615 3.245 4.930 1.00 62.41 C ATOM 1883 CD1 ILE A 128 -3.864 -0.215 3.789 1.00 11.32 C ATOM 0 H ILE A 128 -5.747 1.550 2.891 1.00 41.23 H new ATOM 0 HA ILE A 128 -5.311 2.909 5.448 1.00 43.43 H new ATOM 0 HB ILE A 128 -3.398 2.314 3.160 1.00 51.04 H new ATOM 0 HG12 ILE A 128 -2.323 0.720 4.931 1.00 61.13 H new ATOM 0 HG13 ILE A 128 -3.903 0.755 5.689 1.00 61.13 H new ATOM 0 HG21 ILE A 128 -1.600 2.867 4.805 1.00 62.41 H new ATOM 0 HG22 ILE A 128 -2.687 4.241 4.493 1.00 62.41 H new ATOM 0 HG23 ILE A 128 -2.855 3.296 5.992 1.00 62.41 H new ATOM 0 HD11 ILE A 128 -3.674 -1.193 4.230 1.00 11.32 H new ATOM 0 HD12 ILE A 128 -4.933 -0.098 3.612 1.00 11.32 H new ATOM 0 HD13 ILE A 128 -3.329 -0.134 2.843 1.00 11.32 H new ATOM 1895 N GLN A 129 -5.291 5.235 4.341 1.00 50.35 N ATOM 1896 CA GLN A 129 -5.347 6.486 3.661 1.00 63.11 C ATOM 1897 C GLN A 129 -3.994 7.136 3.752 1.00 35.34 C ATOM 1898 O GLN A 129 -3.512 7.491 4.841 1.00 23.14 O ATOM 1899 CB GLN A 129 -6.437 7.422 4.185 1.00 52.30 C ATOM 1900 CG GLN A 129 -6.570 8.687 3.340 1.00 50.11 C ATOM 1901 CD GLN A 129 -7.576 9.678 3.872 1.00 22.41 C ATOM 1902 OE1 GLN A 129 -7.794 9.791 5.085 1.00 64.32 O ATOM 1903 NE2 GLN A 129 -8.223 10.383 2.983 1.00 3.12 N ATOM 0 H GLN A 129 -5.332 5.285 5.359 1.00 50.35 H new ATOM 0 HA GLN A 129 -5.614 6.290 2.623 1.00 63.11 H new ATOM 0 HB2 GLN A 129 -7.391 6.894 4.198 1.00 52.30 H new ATOM 0 HB3 GLN A 129 -6.212 7.698 5.215 1.00 52.30 H new ATOM 0 HG2 GLN A 129 -5.596 9.173 3.276 1.00 50.11 H new ATOM 0 HG3 GLN A 129 -6.854 8.406 2.326 1.00 50.11 H new ATOM 0 HE21 GLN A 129 -8.018 10.265 1.991 1.00 3.12 H new ATOM 0 HE22 GLN A 129 -8.933 11.052 3.281 1.00 3.12 H new ATOM 1912 N ILE A 130 -3.375 7.245 2.635 1.00 43.52 N ATOM 1913 CA ILE A 130 -2.100 7.853 2.525 1.00 20.42 C ATOM 1914 C ILE A 130 -2.282 9.262 2.006 1.00 24.23 C ATOM 1915 O ILE A 130 -2.501 9.503 0.803 1.00 44.21 O ATOM 1916 CB ILE A 130 -1.118 7.002 1.660 1.00 44.22 C ATOM 1917 CG1 ILE A 130 -1.786 6.529 0.343 1.00 73.23 C ATOM 1918 CG2 ILE A 130 -0.602 5.813 2.470 1.00 22.45 C ATOM 1919 CD1 ILE A 130 -0.900 5.662 -0.537 1.00 62.24 C ATOM 0 H ILE A 130 -3.750 6.906 1.749 1.00 43.52 H new ATOM 0 HA ILE A 130 -1.631 7.904 3.508 1.00 20.42 H new ATOM 0 HB ILE A 130 -0.272 7.632 1.385 1.00 44.22 H new ATOM 0 HG12 ILE A 130 -2.690 5.971 0.589 1.00 73.23 H new ATOM 0 HG13 ILE A 130 -2.097 7.405 -0.227 1.00 73.23 H new ATOM 0 HG21 ILE A 130 0.082 5.225 1.858 1.00 22.45 H new ATOM 0 HG22 ILE A 130 -0.078 6.175 3.354 1.00 22.45 H new ATOM 0 HG23 ILE A 130 -1.442 5.189 2.776 1.00 22.45 H new ATOM 0 HD11 ILE A 130 -1.447 5.377 -1.436 1.00 62.24 H new ATOM 0 HD12 ILE A 130 -0.007 6.221 -0.818 1.00 62.24 H new ATOM 0 HD13 ILE A 130 -0.609 4.765 0.010 1.00 62.24 H new ATOM 1931 N GLY A 131 -2.272 10.178 2.940 1.00 35.13 N ATOM 1932 CA GLY A 131 -2.537 11.546 2.639 1.00 22.24 C ATOM 1933 C GLY A 131 -4.020 11.745 2.465 1.00 61.31 C ATOM 1934 O GLY A 131 -4.777 11.661 3.435 1.00 61.20 O ATOM 0 H GLY A 131 -2.080 9.990 3.924 1.00 35.13 H new ATOM 0 HA2 GLY A 131 -2.165 12.184 3.441 1.00 22.24 H new ATOM 0 HA3 GLY A 131 -2.011 11.838 1.730 1.00 22.24 H new ATOM 1938 N LYS A 132 -4.442 12.012 1.262 1.00 44.02 N ATOM 1939 CA LYS A 132 -5.849 12.119 0.947 1.00 45.51 C ATOM 1940 C LYS A 132 -6.310 10.885 0.201 1.00 64.33 C ATOM 1941 O LYS A 132 -7.506 10.581 0.167 1.00 64.31 O ATOM 1942 CB LYS A 132 -6.127 13.317 0.043 1.00 42.01 C ATOM 1943 CG LYS A 132 -5.774 14.676 0.603 1.00 42.14 C ATOM 1944 CD LYS A 132 -6.118 15.799 -0.390 1.00 30.32 C ATOM 1945 CE LYS A 132 -7.629 16.161 -0.461 1.00 73.11 C ATOM 1946 NZ LYS A 132 -8.522 15.057 -0.921 1.00 52.35 N ATOM 0 H LYS A 132 -3.823 12.163 0.466 1.00 44.02 H new ATOM 0 HA LYS A 132 -6.379 12.233 1.892 1.00 45.51 H new ATOM 0 HB2 LYS A 132 -5.578 13.178 -0.888 1.00 42.01 H new ATOM 0 HB3 LYS A 132 -7.187 13.316 -0.209 1.00 42.01 H new ATOM 0 HG2 LYS A 132 -6.312 14.837 1.537 1.00 42.14 H new ATOM 0 HG3 LYS A 132 -4.710 14.709 0.838 1.00 42.14 H new ATOM 0 HD2 LYS A 132 -5.556 16.692 -0.117 1.00 30.32 H new ATOM 0 HD3 LYS A 132 -5.782 15.503 -1.384 1.00 30.32 H new ATOM 0 HE2 LYS A 132 -7.956 16.485 0.527 1.00 73.11 H new ATOM 0 HE3 LYS A 132 -7.752 17.011 -1.132 1.00 73.11 H new ATOM 0 HZ1 LYS A 132 -9.362 15.460 -1.383 1.00 52.35 H new ATOM 0 HZ2 LYS A 132 -8.010 14.455 -1.597 1.00 52.35 H new ATOM 0 HZ3 LYS A 132 -8.817 14.485 -0.104 1.00 52.35 H new ATOM 1960 N PHE A 133 -5.380 10.170 -0.375 1.00 32.42 N ATOM 1961 CA PHE A 133 -5.713 9.084 -1.267 1.00 55.40 C ATOM 1962 C PHE A 133 -5.667 7.753 -0.561 1.00 24.30 C ATOM 1963 O PHE A 133 -5.062 7.623 0.491 1.00 55.14 O ATOM 1964 CB PHE A 133 -4.831 9.151 -2.501 1.00 61.24 C ATOM 1965 CG PHE A 133 -4.933 10.506 -3.155 1.00 11.10 C ATOM 1966 CD1 PHE A 133 -6.110 10.908 -3.770 1.00 32.25 C ATOM 1967 CD2 PHE A 133 -3.871 11.387 -3.120 1.00 1.50 C ATOM 1968 CE1 PHE A 133 -6.216 12.163 -4.333 1.00 1.44 C ATOM 1969 CE2 PHE A 133 -3.971 12.646 -3.687 1.00 44.10 C ATOM 1970 CZ PHE A 133 -5.148 13.033 -4.291 1.00 23.34 C ATOM 0 H PHE A 133 -4.380 10.319 -0.243 1.00 32.42 H new ATOM 0 HA PHE A 133 -6.745 9.191 -1.602 1.00 55.40 H new ATOM 0 HB2 PHE A 133 -3.795 8.952 -2.225 1.00 61.24 H new ATOM 0 HB3 PHE A 133 -5.127 8.377 -3.209 1.00 61.24 H new ATOM 0 HD1 PHE A 133 -6.951 10.232 -3.808 1.00 32.25 H new ATOM 0 HD2 PHE A 133 -2.949 11.090 -2.643 1.00 1.50 H new ATOM 0 HE1 PHE A 133 -7.138 12.464 -4.808 1.00 1.44 H new ATOM 0 HE2 PHE A 133 -3.130 13.323 -3.656 1.00 44.10 H new ATOM 0 HZ PHE A 133 -5.233 14.016 -4.730 1.00 23.34 H new ATOM 1980 N ARG A 134 -6.292 6.754 -1.139 1.00 41.21 N ATOM 1981 CA ARG A 134 -6.498 5.516 -0.421 1.00 53.34 C ATOM 1982 C ARG A 134 -5.883 4.308 -1.096 1.00 41.02 C ATOM 1983 O ARG A 134 -5.918 4.156 -2.332 1.00 42.45 O ATOM 1984 CB ARG A 134 -7.983 5.318 -0.121 1.00 2.21 C ATOM 1985 CG ARG A 134 -8.540 6.405 0.795 1.00 5.04 C ATOM 1986 CD ARG A 134 -10.020 6.250 1.056 1.00 62.11 C ATOM 1987 NE ARG A 134 -10.831 6.364 -0.167 1.00 40.34 N ATOM 1988 CZ ARG A 134 -12.145 6.599 -0.177 1.00 51.51 C ATOM 1989 NH1 ARG A 134 -12.797 6.777 0.968 1.00 32.44 N ATOM 1990 NH2 ARG A 134 -12.802 6.675 -1.329 1.00 73.51 N ATOM 0 H ARG A 134 -6.662 6.771 -2.089 1.00 41.21 H new ATOM 0 HA ARG A 134 -5.962 5.606 0.524 1.00 53.34 H new ATOM 0 HB2 ARG A 134 -8.543 5.313 -1.056 1.00 2.21 H new ATOM 0 HB3 ARG A 134 -8.130 4.343 0.344 1.00 2.21 H new ATOM 0 HG2 ARG A 134 -8.004 6.383 1.744 1.00 5.04 H new ATOM 0 HG3 ARG A 134 -8.355 7.381 0.347 1.00 5.04 H new ATOM 0 HD2 ARG A 134 -10.203 5.280 1.518 1.00 62.11 H new ATOM 0 HD3 ARG A 134 -10.340 7.009 1.770 1.00 62.11 H new ATOM 0 HE ARG A 134 -10.359 6.257 -1.065 1.00 40.34 H new ATOM 0 HH11 ARG A 134 -12.293 6.734 1.854 1.00 32.44 H new ATOM 0 HH12 ARG A 134 -13.801 6.957 0.961 1.00 32.44 H new ATOM 0 HH21 ARG A 134 -12.302 6.554 -2.210 1.00 73.51 H new ATOM 0 HH22 ARG A 134 -13.806 6.855 -1.333 1.00 73.51 H new ATOM 2004 N LEU A 135 -5.334 3.466 -0.266 1.00 45.31 N ATOM 2005 CA LEU A 135 -4.635 2.270 -0.640 1.00 44.23 C ATOM 2006 C LEU A 135 -5.331 1.085 0.018 1.00 21.34 C ATOM 2007 O LEU A 135 -5.695 1.163 1.181 1.00 20.23 O ATOM 2008 CB LEU A 135 -3.211 2.381 -0.076 1.00 54.11 C ATOM 2009 CG LEU A 135 -2.266 1.218 -0.348 1.00 64.30 C ATOM 2010 CD1 LEU A 135 -1.924 1.153 -1.810 1.00 0.44 C ATOM 2011 CD2 LEU A 135 -1.006 1.344 0.496 1.00 22.25 C ATOM 0 H LEU A 135 -5.364 3.604 0.744 1.00 45.31 H new ATOM 0 HA LEU A 135 -4.618 2.139 -1.722 1.00 44.23 H new ATOM 0 HB2 LEU A 135 -2.757 3.287 -0.478 1.00 54.11 H new ATOM 0 HB3 LEU A 135 -3.284 2.513 1.004 1.00 54.11 H new ATOM 0 HG LEU A 135 -2.768 0.291 -0.071 1.00 64.30 H new ATOM 0 HD11 LEU A 135 -1.248 0.317 -1.989 1.00 0.44 H new ATOM 0 HD12 LEU A 135 -2.836 1.013 -2.391 1.00 0.44 H new ATOM 0 HD13 LEU A 135 -1.440 2.082 -2.112 1.00 0.44 H new ATOM 0 HD21 LEU A 135 -0.343 0.504 0.288 1.00 22.25 H new ATOM 0 HD22 LEU A 135 -0.497 2.277 0.253 1.00 22.25 H new ATOM 0 HD23 LEU A 135 -1.274 1.341 1.553 1.00 22.25 H new ATOM 2023 N VAL A 136 -5.528 0.012 -0.698 1.00 34.33 N ATOM 2024 CA VAL A 136 -6.140 -1.159 -0.103 1.00 74.43 C ATOM 2025 C VAL A 136 -5.101 -2.284 0.002 1.00 12.41 C ATOM 2026 O VAL A 136 -4.340 -2.535 -0.947 1.00 0.13 O ATOM 2027 CB VAL A 136 -7.444 -1.609 -0.854 1.00 51.02 C ATOM 2028 CG1 VAL A 136 -7.180 -1.989 -2.301 1.00 54.35 C ATOM 2029 CG2 VAL A 136 -8.159 -2.735 -0.106 1.00 24.24 C ATOM 0 H VAL A 136 -5.280 -0.083 -1.683 1.00 34.33 H new ATOM 0 HA VAL A 136 -6.470 -0.900 0.903 1.00 74.43 H new ATOM 0 HB VAL A 136 -8.107 -0.744 -0.872 1.00 51.02 H new ATOM 0 HG11 VAL A 136 -8.114 -2.292 -2.774 1.00 54.35 H new ATOM 0 HG12 VAL A 136 -6.766 -1.132 -2.832 1.00 54.35 H new ATOM 0 HG13 VAL A 136 -6.470 -2.816 -2.336 1.00 54.35 H new ATOM 0 HG21 VAL A 136 -9.057 -3.022 -0.653 1.00 24.24 H new ATOM 0 HG22 VAL A 136 -7.495 -3.595 -0.022 1.00 24.24 H new ATOM 0 HG23 VAL A 136 -8.436 -2.391 0.891 1.00 24.24 H new ATOM 2039 N PHE A 137 -5.029 -2.902 1.164 1.00 3.33 N ATOM 2040 CA PHE A 137 -4.041 -3.933 1.433 1.00 51.22 C ATOM 2041 C PHE A 137 -4.690 -5.302 1.575 1.00 12.53 C ATOM 2042 O PHE A 137 -5.664 -5.467 2.325 1.00 42.11 O ATOM 2043 CB PHE A 137 -3.262 -3.575 2.707 1.00 11.14 C ATOM 2044 CG PHE A 137 -2.270 -4.613 3.160 1.00 60.13 C ATOM 2045 CD1 PHE A 137 -1.042 -4.731 2.542 1.00 23.42 C ATOM 2046 CD2 PHE A 137 -2.574 -5.465 4.215 1.00 31.42 C ATOM 2047 CE1 PHE A 137 -0.135 -5.676 2.961 1.00 21.22 C ATOM 2048 CE2 PHE A 137 -1.669 -6.412 4.637 1.00 33.33 C ATOM 2049 CZ PHE A 137 -0.448 -6.518 4.009 1.00 50.52 C ATOM 0 H PHE A 137 -5.651 -2.706 1.948 1.00 3.33 H new ATOM 0 HA PHE A 137 -3.355 -3.982 0.588 1.00 51.22 H new ATOM 0 HB2 PHE A 137 -2.732 -2.637 2.539 1.00 11.14 H new ATOM 0 HB3 PHE A 137 -3.974 -3.399 3.513 1.00 11.14 H new ATOM 0 HD1 PHE A 137 -0.791 -4.075 1.722 1.00 23.42 H new ATOM 0 HD2 PHE A 137 -3.531 -5.383 4.709 1.00 31.42 H new ATOM 0 HE1 PHE A 137 0.823 -5.759 2.470 1.00 21.22 H new ATOM 0 HE2 PHE A 137 -1.915 -7.070 5.458 1.00 33.33 H new ATOM 0 HZ PHE A 137 0.265 -7.260 4.337 1.00 50.52 H new ATOM 2059 N LEU A 138 -4.158 -6.272 0.855 1.00 20.20 N ATOM 2060 CA LEU A 138 -4.619 -7.649 0.930 1.00 50.32 C ATOM 2061 C LEU A 138 -3.427 -8.567 1.144 1.00 72.52 C ATOM 2062 O LEU A 138 -2.321 -8.270 0.698 1.00 41.43 O ATOM 2063 CB LEU A 138 -5.355 -8.107 -0.356 1.00 42.15 C ATOM 2064 CG LEU A 138 -6.714 -7.473 -0.725 1.00 51.13 C ATOM 2065 CD1 LEU A 138 -7.721 -7.588 0.401 1.00 22.35 C ATOM 2066 CD2 LEU A 138 -6.583 -6.040 -1.231 1.00 63.43 C ATOM 0 H LEU A 138 -3.391 -6.128 0.199 1.00 20.20 H new ATOM 0 HA LEU A 138 -5.323 -7.702 1.761 1.00 50.32 H new ATOM 0 HB2 LEU A 138 -4.679 -7.941 -1.195 1.00 42.15 H new ATOM 0 HB3 LEU A 138 -5.508 -9.183 -0.278 1.00 42.15 H new ATOM 0 HG LEU A 138 -7.101 -8.055 -1.561 1.00 51.13 H new ATOM 0 HD11 LEU A 138 -8.661 -7.129 0.096 1.00 22.35 H new ATOM 0 HD12 LEU A 138 -7.889 -8.640 0.633 1.00 22.35 H new ATOM 0 HD13 LEU A 138 -7.338 -7.078 1.285 1.00 22.35 H new ATOM 0 HD21 LEU A 138 -7.571 -5.648 -1.474 1.00 63.43 H new ATOM 0 HD22 LEU A 138 -6.128 -5.421 -0.458 1.00 63.43 H new ATOM 0 HD23 LEU A 138 -5.957 -6.025 -2.123 1.00 63.43 H new ATOM 2078 N ALA A 139 -3.643 -9.650 1.826 1.00 14.31 N ATOM 2079 CA ALA A 139 -2.615 -10.650 2.029 1.00 73.44 C ATOM 2080 C ALA A 139 -2.780 -11.725 0.969 1.00 51.23 C ATOM 2081 O ALA A 139 -3.910 -12.138 0.676 1.00 41.45 O ATOM 2082 CB ALA A 139 -2.719 -11.243 3.421 1.00 55.15 C ATOM 0 H ALA A 139 -4.537 -9.875 2.263 1.00 14.31 H new ATOM 0 HA ALA A 139 -1.628 -10.196 1.940 1.00 73.44 H new ATOM 0 HB1 ALA A 139 -1.939 -11.992 3.556 1.00 55.15 H new ATOM 0 HB2 ALA A 139 -2.597 -10.454 4.163 1.00 55.15 H new ATOM 0 HB3 ALA A 139 -3.696 -11.710 3.546 1.00 55.15 H new ATOM 2088 N GLY A 140 -1.688 -12.183 0.398 1.00 53.13 N ATOM 2089 CA GLY A 140 -1.796 -13.101 -0.699 1.00 72.43 C ATOM 2090 C GLY A 140 -1.134 -14.443 -0.458 1.00 44.01 C ATOM 2091 O GLY A 140 -1.375 -15.085 0.582 1.00 43.31 O ATOM 0 H GLY A 140 -0.737 -11.938 0.672 1.00 53.13 H new ATOM 0 HA2 GLY A 140 -2.851 -13.264 -0.918 1.00 72.43 H new ATOM 0 HA3 GLY A 140 -1.353 -12.645 -1.584 1.00 72.43 H new ATOM 2095 N PRO A 141 -0.267 -14.877 -1.387 1.00 32.23 N ATOM 2096 CA PRO A 141 0.325 -16.216 -1.371 1.00 61.35 C ATOM 2097 C PRO A 141 1.335 -16.457 -0.261 1.00 43.55 C ATOM 2098 O PRO A 141 2.196 -15.621 0.032 1.00 23.50 O ATOM 2099 CB PRO A 141 0.999 -16.330 -2.731 1.00 3.54 C ATOM 2100 CG PRO A 141 1.294 -14.935 -3.142 1.00 4.51 C ATOM 2101 CD PRO A 141 0.226 -14.076 -2.527 1.00 21.54 C ATOM 0 HA PRO A 141 -0.446 -16.963 -1.180 1.00 61.35 H new ATOM 0 HB2 PRO A 141 1.912 -16.923 -2.669 1.00 3.54 H new ATOM 0 HB3 PRO A 141 0.347 -16.823 -3.453 1.00 3.54 H new ATOM 0 HG2 PRO A 141 2.283 -14.630 -2.799 1.00 4.51 H new ATOM 0 HG3 PRO A 141 1.290 -14.841 -4.228 1.00 4.51 H new ATOM 0 HD2 PRO A 141 0.626 -13.117 -2.197 1.00 21.54 H new ATOM 0 HD3 PRO A 141 -0.572 -13.861 -3.238 1.00 21.54 H new