USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 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 106 TYR OH : rot -122:sc= 0.664 USER MOD Set 1.2: A 110 ASN : amide:sc= 0.596 X(o=1.3,f=0.88) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.0577 USER MOD Set 2.2: A 73 LYS NZ :NH3+ 154:sc= 0.0591 (180deg=0) USER MOD Set 3.1: A 6 SER OG : rot 117:sc= 1.07 USER MOD Set 3.2: A 8 SER OG : rot 180:sc= 0.901 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 48:sc= 1.16 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.2) USER MOD Single : A 5 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.5!) USER MOD Single : A 11 TYR OH : rot 55:sc= -1.68! USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= 0.823 (180deg=-0.371) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= 1.13 (180deg=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 23 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0775) USER MOD Single : A 33 MET CE :methyl 159:sc= -0.14 (180deg=-0.745) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.938 K(o=0.94,f=-5.9!) USER MOD Single : A 68 MET CE :methyl -107:sc= -2.67! (180deg=-5.38!) USER MOD Single : A 72 ASN : amide:sc= 1.09 K(o=1.1,f=-2.3!) USER MOD Single : A 78 CYS SG : rot 77:sc= 0.733 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot -20:sc= 0.292 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 36:sc= 1.26 USER MOD Single : A 94 ASN : amide:sc= 0.41 K(o=0.41,f=-5.3!) USER MOD Single : A 103 MET CE :methyl -145:sc= -0.322 (180deg=-3.21!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -0.0254 (180deg=-0.2) USER MOD Single : A 109 LYS NZ :NH3+ 177:sc= 0.829 (180deg=0.786) USER MOD Single : A 113 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0018) USER MOD Single : A 114 HIS : no HD1:sc=-0.00402 X(o=-0.004,f=-0.0055) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc=-0.00755 X(o=-0.0075,f=-0.077) USER MOD Single : A 117 HIS : no HE2:sc= 0.0422 K(o=0.042,f=-0.72) USER MOD Single : A 118 HIS : no HD1:sc=-0.00354 X(o=-0.0035,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -4.480 0.682 19.117 1.00 0.00 N ATOM 2 CA SER A 1 -3.124 1.187 18.822 1.00 0.00 C ATOM 3 C SER A 1 -2.088 0.139 19.208 1.00 0.00 C ATOM 4 O SER A 1 -1.788 -0.043 20.388 1.00 0.00 O ATOM 5 CB SER A 1 -2.870 2.501 19.571 1.00 0.00 C ATOM 6 OG SER A 1 -1.652 3.105 19.158 1.00 0.00 O ATOM 0 H1 SER A 1 -5.183 1.401 18.852 1.00 0.00 H new ATOM 0 H2 SER A 1 -4.652 -0.188 18.574 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.561 0.477 20.133 1.00 0.00 H new ATOM 0 HA SER A 1 -3.042 1.384 17.753 1.00 0.00 H new ATOM 0 HB2 SER A 1 -3.697 3.188 19.394 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.838 2.310 20.644 1.00 0.00 H new ATOM 0 HG SER A 1 -1.610 3.120 18.179 1.00 0.00 H new ATOM 14 N SER A 2 -1.545 -0.551 18.214 1.00 0.00 N ATOM 15 CA SER A 2 -0.634 -1.659 18.468 1.00 0.00 C ATOM 16 C SER A 2 0.369 -1.804 17.328 1.00 0.00 C ATOM 17 O SER A 2 0.152 -1.294 16.230 1.00 0.00 O ATOM 18 CB SER A 2 -1.426 -2.961 18.635 1.00 0.00 C ATOM 19 OG SER A 2 -2.383 -2.856 19.680 1.00 0.00 O ATOM 0 H SER A 2 -1.719 -0.364 17.227 1.00 0.00 H new ATOM 0 HA SER A 2 -0.086 -1.451 19.387 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.931 -3.204 17.700 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.740 -3.781 18.849 1.00 0.00 H new ATOM 0 HG SER A 2 -2.873 -3.701 19.761 1.00 0.00 H new ATOM 25 N ASN A 3 1.464 -2.507 17.597 1.00 0.00 N ATOM 26 CA ASN A 3 2.491 -2.754 16.587 1.00 0.00 C ATOM 27 C ASN A 3 1.940 -3.637 15.478 1.00 0.00 C ATOM 28 O ASN A 3 2.341 -3.525 14.325 1.00 0.00 O ATOM 29 CB ASN A 3 3.723 -3.423 17.210 1.00 0.00 C ATOM 30 CG ASN A 3 4.481 -2.511 18.156 1.00 0.00 C ATOM 31 OD1 ASN A 3 4.169 -2.432 19.344 1.00 0.00 O ATOM 32 ND2 ASN A 3 5.493 -1.827 17.646 1.00 0.00 N ATOM 0 H ASN A 3 1.665 -2.918 18.509 1.00 0.00 H new ATOM 0 HA ASN A 3 2.788 -1.792 16.169 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.410 -4.317 17.750 1.00 0.00 H new ATOM 0 HB3 ASN A 3 4.393 -3.749 16.415 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.043 -1.209 18.243 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.723 -1.918 16.656 1.00 0.00 H new ATOM 39 N ASN A 4 1.004 -4.506 15.837 1.00 0.00 N ATOM 40 CA ASN A 4 0.380 -5.412 14.875 1.00 0.00 C ATOM 41 C ASN A 4 -0.652 -4.669 14.022 1.00 0.00 C ATOM 42 O ASN A 4 -1.272 -5.241 13.126 1.00 0.00 O ATOM 43 CB ASN A 4 -0.277 -6.578 15.624 1.00 0.00 C ATOM 44 CG ASN A 4 -0.653 -7.743 14.725 1.00 0.00 C ATOM 45 OD1 ASN A 4 -0.023 -7.987 13.694 1.00 0.00 O ATOM 46 ND2 ASN A 4 -1.673 -8.485 15.126 1.00 0.00 N ATOM 0 H ASN A 4 0.657 -4.604 16.791 1.00 0.00 H new ATOM 0 HA ASN A 4 1.146 -5.803 14.206 1.00 0.00 H new ATOM 0 HB2 ASN A 4 0.404 -6.932 16.398 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -1.172 -6.216 16.129 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.964 -9.293 14.575 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.168 -8.249 15.986 1.00 0.00 H new ATOM 53 N ASN A 5 -0.824 -3.382 14.304 1.00 0.00 N ATOM 54 CA ASN A 5 -1.760 -2.554 13.553 1.00 0.00 C ATOM 55 C ASN A 5 -1.022 -1.694 12.538 1.00 0.00 C ATOM 56 O ASN A 5 -1.640 -0.907 11.817 1.00 0.00 O ATOM 57 CB ASN A 5 -2.577 -1.648 14.486 1.00 0.00 C ATOM 58 CG ASN A 5 -3.583 -2.410 15.328 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.358 -3.558 15.709 1.00 0.00 O ATOM 60 ND2 ASN A 5 -4.709 -1.774 15.621 1.00 0.00 N ATOM 0 H ASN A 5 -0.328 -2.890 15.047 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.441 -3.226 13.032 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.897 -1.108 15.144 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.103 -0.902 13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.425 -2.237 16.181 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.859 -0.822 15.287 1.00 0.00 H new ATOM 67 N SER A 6 0.297 -1.839 12.478 1.00 0.00 N ATOM 68 CA SER A 6 1.093 -1.064 11.540 1.00 0.00 C ATOM 69 C SER A 6 0.951 -1.642 10.141 1.00 0.00 C ATOM 70 O SER A 6 0.632 -2.825 9.973 1.00 0.00 O ATOM 71 CB SER A 6 2.568 -1.037 11.958 1.00 0.00 C ATOM 72 OG SER A 6 3.156 -2.325 11.881 1.00 0.00 O ATOM 0 H SER A 6 0.832 -2.481 13.063 1.00 0.00 H new ATOM 0 HA SER A 6 0.725 -0.038 11.543 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.116 -0.347 11.316 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.651 -0.659 12.977 1.00 0.00 H new ATOM 0 HG SER A 6 3.875 -2.317 11.215 1.00 0.00 H new ATOM 78 N PHE A 7 1.177 -0.808 9.138 1.00 0.00 N ATOM 79 CA PHE A 7 1.068 -1.241 7.757 1.00 0.00 C ATOM 80 C PHE A 7 2.078 -2.347 7.475 1.00 0.00 C ATOM 81 O PHE A 7 1.771 -3.306 6.776 1.00 0.00 O ATOM 82 CB PHE A 7 1.283 -0.065 6.803 1.00 0.00 C ATOM 83 CG PHE A 7 0.821 -0.342 5.399 1.00 0.00 C ATOM 84 CD1 PHE A 7 -0.503 -0.137 5.042 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.705 -0.811 4.440 1.00 0.00 C ATOM 86 CE1 PHE A 7 -0.935 -0.390 3.755 1.00 0.00 C ATOM 87 CE2 PHE A 7 1.279 -1.068 3.151 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.043 -0.857 2.809 1.00 0.00 C ATOM 0 H PHE A 7 1.437 0.171 9.256 1.00 0.00 H new ATOM 0 HA PHE A 7 0.064 -1.632 7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.752 0.806 7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.343 0.190 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.205 0.225 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.739 -0.978 4.703 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.968 -0.223 3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.978 -1.433 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 7 -0.379 -1.057 1.802 1.00 0.00 H new ATOM 98 N SER A 8 3.271 -2.214 8.044 1.00 0.00 N ATOM 99 CA SER A 8 4.320 -3.214 7.888 1.00 0.00 C ATOM 100 C SER A 8 3.860 -4.587 8.380 1.00 0.00 C ATOM 101 O SER A 8 4.061 -5.602 7.704 1.00 0.00 O ATOM 102 CB SER A 8 5.567 -2.772 8.658 1.00 0.00 C ATOM 103 OG SER A 8 5.246 -2.459 10.007 1.00 0.00 O ATOM 0 H SER A 8 3.537 -1.417 8.622 1.00 0.00 H new ATOM 0 HA SER A 8 4.554 -3.302 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.315 -3.565 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.009 -1.901 8.174 1.00 0.00 H new ATOM 0 HG SER A 8 6.058 -2.180 10.480 1.00 0.00 H new ATOM 109 N ALA A 9 3.226 -4.605 9.547 1.00 0.00 N ATOM 110 CA ALA A 9 2.778 -5.844 10.162 1.00 0.00 C ATOM 111 C ALA A 9 1.707 -6.519 9.317 1.00 0.00 C ATOM 112 O ALA A 9 1.820 -7.697 8.976 1.00 0.00 O ATOM 113 CB ALA A 9 2.254 -5.570 11.564 1.00 0.00 C ATOM 0 H ALA A 9 3.011 -3.767 10.088 1.00 0.00 H new ATOM 0 HA ALA A 9 3.629 -6.521 10.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.921 -6.504 12.017 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.048 -5.136 12.171 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.417 -4.874 11.510 1.00 0.00 H new ATOM 119 N ILE A 10 0.681 -5.758 8.965 1.00 0.00 N ATOM 120 CA ILE A 10 -0.430 -6.288 8.190 1.00 0.00 C ATOM 121 C ILE A 10 0.014 -6.633 6.769 1.00 0.00 C ATOM 122 O ILE A 10 -0.469 -7.599 6.177 1.00 0.00 O ATOM 123 CB ILE A 10 -1.605 -5.289 8.144 1.00 0.00 C ATOM 124 CG1 ILE A 10 -1.992 -4.875 9.567 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.802 -5.903 7.429 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.094 -3.841 9.624 1.00 0.00 C ATOM 0 H ILE A 10 0.595 -4.770 9.204 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.769 -7.198 8.684 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.291 -4.405 7.589 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.308 -5.760 10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.111 -4.481 10.073 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.621 -5.184 7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.521 -6.165 6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.122 -6.800 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.312 -3.599 10.664 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.775 -2.940 9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.991 -4.238 9.148 1.00 0.00 H new ATOM 138 N TYR A 11 0.955 -5.856 6.235 1.00 0.00 N ATOM 139 CA TYR A 11 1.470 -6.100 4.894 1.00 0.00 C ATOM 140 C TYR A 11 2.153 -7.457 4.811 1.00 0.00 C ATOM 141 O TYR A 11 1.878 -8.220 3.899 1.00 0.00 O ATOM 142 CB TYR A 11 2.449 -5.013 4.447 1.00 0.00 C ATOM 143 CG TYR A 11 2.980 -5.257 3.054 1.00 0.00 C ATOM 144 CD1 TYR A 11 2.193 -4.996 1.944 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.251 -5.782 2.852 1.00 0.00 C ATOM 146 CE1 TYR A 11 2.656 -5.245 0.670 1.00 0.00 C ATOM 147 CE2 TYR A 11 4.719 -6.039 1.579 1.00 0.00 C ATOM 148 CZ TYR A 11 3.917 -5.768 0.491 1.00 0.00 C ATOM 149 OH TYR A 11 4.371 -6.025 -0.780 1.00 0.00 O ATOM 0 H TYR A 11 1.373 -5.056 6.710 1.00 0.00 H new ATOM 0 HA TYR A 11 0.611 -6.084 4.224 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.952 -4.044 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.282 -4.967 5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.201 -4.591 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.882 -5.992 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.032 -5.031 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.708 -6.450 1.436 1.00 0.00 H new ATOM 0 HH TYR A 11 4.304 -5.211 -1.322 1.00 0.00 H new ATOM 159 N LYS A 12 3.042 -7.758 5.756 1.00 0.00 N ATOM 160 CA LYS A 12 3.755 -9.033 5.726 1.00 0.00 C ATOM 161 C LYS A 12 2.784 -10.193 5.906 1.00 0.00 C ATOM 162 O LYS A 12 2.936 -11.243 5.290 1.00 0.00 O ATOM 163 CB LYS A 12 4.842 -9.102 6.801 1.00 0.00 C ATOM 164 CG LYS A 12 5.615 -10.410 6.756 1.00 0.00 C ATOM 165 CD LYS A 12 6.660 -10.504 7.849 1.00 0.00 C ATOM 166 CE LYS A 12 7.384 -11.839 7.786 1.00 0.00 C ATOM 167 NZ LYS A 12 6.470 -12.984 8.042 1.00 0.00 N ATOM 0 H LYS A 12 3.283 -7.149 6.538 1.00 0.00 H new ATOM 0 HA LYS A 12 4.236 -9.110 4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.533 -8.269 6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.386 -8.986 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.919 -11.243 6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.100 -10.509 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.377 -9.690 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.186 -10.387 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.844 -11.955 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.190 -11.848 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.853 -13.569 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.532 -12.626 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.384 -13.559 7.180 1.00 0.00 H new ATOM 181 N GLU A 13 1.787 -9.986 6.751 1.00 0.00 N ATOM 182 CA GLU A 13 0.751 -10.982 6.988 1.00 0.00 C ATOM 183 C GLU A 13 0.024 -11.300 5.678 1.00 0.00 C ATOM 184 O GLU A 13 -0.125 -12.465 5.284 1.00 0.00 O ATOM 185 CB GLU A 13 -0.218 -10.434 8.037 1.00 0.00 C ATOM 186 CG GLU A 13 -1.245 -11.426 8.542 1.00 0.00 C ATOM 187 CD GLU A 13 -2.079 -10.841 9.662 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.683 -10.974 10.840 1.00 0.00 O ATOM 189 OE2 GLU A 13 -3.126 -10.228 9.375 1.00 0.00 O ATOM 0 H GLU A 13 1.672 -9.128 7.290 1.00 0.00 H new ATOM 0 HA GLU A 13 1.192 -11.908 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.359 -10.068 8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.741 -9.577 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.896 -11.727 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.741 -12.326 8.895 1.00 0.00 H new ATOM 196 N TRP A 14 -0.397 -10.242 5.001 1.00 0.00 N ATOM 197 CA TRP A 14 -1.043 -10.340 3.700 1.00 0.00 C ATOM 198 C TRP A 14 -0.072 -10.888 2.647 1.00 0.00 C ATOM 199 O TRP A 14 -0.437 -11.743 1.837 1.00 0.00 O ATOM 200 CB TRP A 14 -1.562 -8.949 3.318 1.00 0.00 C ATOM 201 CG TRP A 14 -2.048 -8.809 1.909 1.00 0.00 C ATOM 202 CD1 TRP A 14 -3.280 -9.140 1.421 1.00 0.00 C ATOM 203 CD2 TRP A 14 -1.311 -8.270 0.809 1.00 0.00 C ATOM 204 NE1 TRP A 14 -3.347 -8.841 0.081 1.00 0.00 N ATOM 205 CE2 TRP A 14 -2.151 -8.308 -0.318 1.00 0.00 C ATOM 206 CE3 TRP A 14 -0.019 -7.763 0.670 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -1.739 -7.851 -1.568 1.00 0.00 C ATOM 208 CZ3 TRP A 14 0.389 -7.311 -0.568 1.00 0.00 C ATOM 209 CH2 TRP A 14 -0.467 -7.358 -1.674 1.00 0.00 C ATOM 0 H TRP A 14 -0.300 -9.285 5.341 1.00 0.00 H new ATOM 0 HA TRP A 14 -1.878 -11.039 3.748 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.376 -8.686 3.993 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.765 -8.224 3.483 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -4.082 -9.572 2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.158 -8.992 -0.519 1.00 0.00 H new ATOM 0 HE3 TRP A 14 0.650 -7.725 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -2.399 -7.885 -2.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 1.386 -6.914 -0.686 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -0.117 -6.998 -2.630 1.00 0.00 H new ATOM 220 N TYR A 15 1.168 -10.402 2.686 1.00 0.00 N ATOM 221 CA TYR A 15 2.215 -10.828 1.761 1.00 0.00 C ATOM 222 C TYR A 15 2.489 -12.320 1.879 1.00 0.00 C ATOM 223 O TYR A 15 2.531 -13.019 0.876 1.00 0.00 O ATOM 224 CB TYR A 15 3.511 -10.049 2.014 1.00 0.00 C ATOM 225 CG TYR A 15 4.685 -10.569 1.214 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.671 -10.535 -0.173 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.799 -11.110 1.846 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.731 -11.021 -0.909 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.867 -11.599 1.116 1.00 0.00 C ATOM 230 CZ TYR A 15 6.826 -11.552 -0.262 1.00 0.00 C ATOM 231 OH TYR A 15 7.885 -12.034 -1.000 1.00 0.00 O ATOM 0 H TYR A 15 1.474 -9.701 3.361 1.00 0.00 H new ATOM 0 HA TYR A 15 1.859 -10.620 0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.350 -8.999 1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.754 -10.096 3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.815 -10.121 -0.685 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.831 -11.149 2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.703 -10.986 -1.988 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.727 -12.014 1.621 1.00 0.00 H new ATOM 0 HH TYR A 15 8.578 -12.373 -0.395 1.00 0.00 H new ATOM 241 N GLU A 16 2.672 -12.797 3.103 1.00 0.00 N ATOM 242 CA GLU A 16 3.000 -14.199 3.339 1.00 0.00 C ATOM 243 C GLU A 16 1.893 -15.100 2.797 1.00 0.00 C ATOM 244 O GLU A 16 2.158 -16.156 2.220 1.00 0.00 O ATOM 245 CB GLU A 16 3.195 -14.455 4.836 1.00 0.00 C ATOM 246 CG GLU A 16 4.080 -15.652 5.142 1.00 0.00 C ATOM 247 CD GLU A 16 5.557 -15.313 5.118 1.00 0.00 C ATOM 248 OE1 GLU A 16 6.142 -15.231 4.021 1.00 0.00 O ATOM 249 OE2 GLU A 16 6.143 -15.145 6.213 1.00 0.00 O ATOM 0 H GLU A 16 2.599 -12.233 3.950 1.00 0.00 H new ATOM 0 HA GLU A 16 3.929 -14.429 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.630 -13.567 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.220 -14.607 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.819 -16.049 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.881 -16.440 4.416 1.00 0.00 H new ATOM 256 N HIS A 17 0.647 -14.672 2.975 1.00 0.00 N ATOM 257 CA HIS A 17 -0.495 -15.409 2.449 1.00 0.00 C ATOM 258 C HIS A 17 -0.512 -15.348 0.915 1.00 0.00 C ATOM 259 O HIS A 17 -0.663 -16.371 0.241 1.00 0.00 O ATOM 260 CB HIS A 17 -1.796 -14.842 3.033 1.00 0.00 C ATOM 261 CG HIS A 17 -3.039 -15.560 2.595 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.576 -16.637 3.271 1.00 0.00 N ATOM 263 CD2 HIS A 17 -3.860 -15.335 1.544 1.00 0.00 C ATOM 264 CE1 HIS A 17 -4.671 -17.042 2.651 1.00 0.00 C ATOM 265 NE2 HIS A 17 -4.864 -16.268 1.601 1.00 0.00 N ATOM 0 H HIS A 17 0.403 -13.819 3.479 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.409 -16.455 2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.736 -14.876 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.879 -13.792 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.746 -14.563 0.797 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.300 -17.866 2.953 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.635 -16.350 0.938 1.00 0.00 H new ATOM 274 N LYS A 18 -0.340 -14.145 0.369 1.00 0.00 N ATOM 275 CA LYS A 18 -0.322 -13.940 -1.082 1.00 0.00 C ATOM 276 C LYS A 18 0.918 -14.563 -1.723 1.00 0.00 C ATOM 277 O LYS A 18 0.979 -14.741 -2.940 1.00 0.00 O ATOM 278 CB LYS A 18 -0.367 -12.447 -1.412 1.00 0.00 C ATOM 279 CG LYS A 18 -1.766 -11.855 -1.448 1.00 0.00 C ATOM 280 CD LYS A 18 -2.555 -12.369 -2.644 1.00 0.00 C ATOM 281 CE LYS A 18 -3.729 -11.463 -2.970 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.726 -11.412 -1.869 1.00 0.00 N ATOM 0 H LYS A 18 -0.210 -13.291 0.912 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.205 -14.432 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.225 -11.906 -0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.107 -12.287 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.293 -12.106 -0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.702 -10.768 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.898 -12.440 -3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.918 -13.375 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.363 -10.456 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.214 -11.815 -3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.646 -11.749 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.410 -12.019 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.821 -10.433 -1.532 1.00 0.00 H new ATOM 296 N LYS A 19 1.893 -14.893 -0.892 1.00 0.00 N ATOM 297 CA LYS A 19 3.147 -15.477 -1.347 1.00 0.00 C ATOM 298 C LYS A 19 2.911 -16.849 -1.976 1.00 0.00 C ATOM 299 O LYS A 19 3.728 -17.337 -2.757 1.00 0.00 O ATOM 300 CB LYS A 19 4.108 -15.593 -0.160 1.00 0.00 C ATOM 301 CG LYS A 19 5.494 -16.090 -0.516 1.00 0.00 C ATOM 302 CD LYS A 19 6.333 -16.289 0.731 1.00 0.00 C ATOM 303 CE LYS A 19 7.732 -16.762 0.390 1.00 0.00 C ATOM 304 NZ LYS A 19 8.525 -17.051 1.611 1.00 0.00 N ATOM 0 H LYS A 19 1.839 -14.764 0.118 1.00 0.00 H new ATOM 0 HA LYS A 19 3.584 -14.831 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.198 -14.616 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.673 -16.267 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.419 -17.030 -1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.983 -15.375 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.390 -15.353 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.850 -17.017 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.673 -17.659 -0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.240 -16.001 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.476 -17.372 1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.602 -16.189 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.053 -17.795 2.163 1.00 0.00 H new ATOM 318 N GLN A 20 1.788 -17.467 -1.634 1.00 0.00 N ATOM 319 CA GLN A 20 1.441 -18.765 -2.194 1.00 0.00 C ATOM 320 C GLN A 20 0.579 -18.594 -3.440 1.00 0.00 C ATOM 321 O GLN A 20 0.228 -19.570 -4.105 1.00 0.00 O ATOM 322 CB GLN A 20 0.702 -19.614 -1.160 1.00 0.00 C ATOM 323 CG GLN A 20 1.443 -19.741 0.160 1.00 0.00 C ATOM 324 CD GLN A 20 0.766 -20.705 1.110 1.00 0.00 C ATOM 325 OE1 GLN A 20 -0.449 -20.890 1.067 1.00 0.00 O ATOM 326 NE2 GLN A 20 1.548 -21.321 1.983 1.00 0.00 N ATOM 0 H GLN A 20 1.106 -17.092 -0.975 1.00 0.00 H new ATOM 0 HA GLN A 20 2.363 -19.275 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.279 -19.176 -0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.535 -20.610 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.462 -20.077 -0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.513 -18.760 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.552 -21.139 1.985 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.147 -21.977 2.653 1.00 0.00 H new ATOM 335 N VAL A 21 0.248 -17.350 -3.753 1.00 0.00 N ATOM 336 CA VAL A 21 -0.600 -17.045 -4.896 1.00 0.00 C ATOM 337 C VAL A 21 0.251 -16.663 -6.101 1.00 0.00 C ATOM 338 O VAL A 21 0.052 -17.172 -7.205 1.00 0.00 O ATOM 339 CB VAL A 21 -1.590 -15.904 -4.578 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.522 -15.642 -5.754 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.391 -16.223 -3.323 1.00 0.00 C ATOM 0 H VAL A 21 0.556 -16.531 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.175 -17.942 -5.127 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.011 -14.998 -4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.208 -14.834 -5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.935 -15.360 -6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.091 -16.545 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.083 -15.407 -3.116 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.952 -17.145 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.712 -16.346 -2.479 1.00 0.00 H new ATOM 351 N TRP A 22 1.205 -15.774 -5.878 1.00 0.00 N ATOM 352 CA TRP A 22 2.099 -15.331 -6.943 1.00 0.00 C ATOM 353 C TRP A 22 3.366 -16.174 -6.946 1.00 0.00 C ATOM 354 O TRP A 22 3.534 -17.058 -6.107 1.00 0.00 O ATOM 355 CB TRP A 22 2.476 -13.857 -6.769 1.00 0.00 C ATOM 356 CG TRP A 22 1.303 -12.943 -6.588 1.00 0.00 C ATOM 357 CD1 TRP A 22 0.163 -12.901 -7.337 1.00 0.00 C ATOM 358 CD2 TRP A 22 1.171 -11.922 -5.594 1.00 0.00 C ATOM 359 NE1 TRP A 22 -0.676 -11.921 -6.861 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.076 -11.304 -5.793 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.990 -11.473 -4.555 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.525 -10.261 -4.988 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.545 -10.439 -3.757 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.297 -9.841 -3.979 1.00 0.00 C ATOM 0 H TRP A 22 1.383 -15.343 -4.971 1.00 0.00 H new ATOM 0 HA TRP A 22 1.574 -15.449 -7.891 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.134 -13.761 -5.906 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.044 -13.533 -7.641 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.049 -13.543 -8.179 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.594 -11.691 -7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.954 -11.927 -4.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.488 -9.800 -5.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.168 -10.085 -2.949 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.022 -9.031 -3.340 1.00 0.00 H new ATOM 375 N SER A 23 4.251 -15.903 -7.894 1.00 0.00 N ATOM 376 CA SER A 23 5.547 -16.560 -7.933 1.00 0.00 C ATOM 377 C SER A 23 6.498 -15.862 -6.965 1.00 0.00 C ATOM 378 O SER A 23 6.448 -14.640 -6.827 1.00 0.00 O ATOM 379 CB SER A 23 6.107 -16.530 -9.357 1.00 0.00 C ATOM 380 OG SER A 23 6.077 -15.215 -9.888 1.00 0.00 O ATOM 0 H SER A 23 4.094 -15.232 -8.646 1.00 0.00 H new ATOM 0 HA SER A 23 5.438 -17.602 -7.631 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.131 -16.902 -9.357 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.526 -17.197 -9.994 1.00 0.00 H new ATOM 0 HG SER A 23 6.441 -15.221 -10.798 1.00 0.00 H new ATOM 386 N VAL A 24 7.354 -16.630 -6.297 1.00 0.00 N ATOM 387 CA VAL A 24 8.250 -16.081 -5.280 1.00 0.00 C ATOM 388 C VAL A 24 9.154 -14.984 -5.853 1.00 0.00 C ATOM 389 O VAL A 24 9.468 -14.009 -5.167 1.00 0.00 O ATOM 390 CB VAL A 24 9.110 -17.187 -4.618 1.00 0.00 C ATOM 391 CG1 VAL A 24 10.049 -17.838 -5.623 1.00 0.00 C ATOM 392 CG2 VAL A 24 9.889 -16.634 -3.435 1.00 0.00 C ATOM 0 H VAL A 24 7.447 -17.636 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 24 7.615 -15.636 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 24 8.430 -17.956 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.637 -18.609 -5.125 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.466 -18.288 -6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.717 -17.084 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.485 -17.430 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.548 -15.835 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.194 -16.241 -2.693 1.00 0.00 H new ATOM 402 N GLY A 25 9.551 -15.133 -7.113 1.00 0.00 N ATOM 403 CA GLY A 25 10.375 -14.127 -7.750 1.00 0.00 C ATOM 404 C GLY A 25 9.656 -12.799 -7.866 1.00 0.00 C ATOM 405 O GLY A 25 10.179 -11.757 -7.463 1.00 0.00 O ATOM 0 H GLY A 25 9.316 -15.932 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.293 -13.994 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.665 -14.471 -8.743 1.00 0.00 H new ATOM 409 N TYR A 26 8.440 -12.846 -8.393 1.00 0.00 N ATOM 410 CA TYR A 26 7.632 -11.648 -8.566 1.00 0.00 C ATOM 411 C TYR A 26 7.171 -11.115 -7.214 1.00 0.00 C ATOM 412 O TYR A 26 7.147 -9.908 -6.993 1.00 0.00 O ATOM 413 CB TYR A 26 6.424 -11.949 -9.457 1.00 0.00 C ATOM 414 CG TYR A 26 5.563 -10.741 -9.748 1.00 0.00 C ATOM 415 CD1 TYR A 26 5.992 -9.756 -10.627 1.00 0.00 C ATOM 416 CD2 TYR A 26 4.321 -10.587 -9.145 1.00 0.00 C ATOM 417 CE1 TYR A 26 5.210 -8.651 -10.897 1.00 0.00 C ATOM 418 CE2 TYR A 26 3.532 -9.485 -9.410 1.00 0.00 C ATOM 419 CZ TYR A 26 3.981 -8.521 -10.286 1.00 0.00 C ATOM 420 OH TYR A 26 3.199 -7.422 -10.557 1.00 0.00 O ATOM 0 H TYR A 26 7.990 -13.705 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 26 8.243 -10.885 -9.048 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.775 -12.368 -10.400 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.812 -12.713 -8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.954 -9.856 -11.108 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.967 -11.341 -8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.559 -7.893 -11.583 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.569 -9.379 -8.933 1.00 0.00 H new ATOM 0 HH TYR A 26 2.364 -7.481 -10.048 1.00 0.00 H new ATOM 430 N ALA A 27 6.822 -12.025 -6.311 1.00 0.00 N ATOM 431 CA ALA A 27 6.359 -11.654 -4.979 1.00 0.00 C ATOM 432 C ALA A 27 7.440 -10.897 -4.213 1.00 0.00 C ATOM 433 O ALA A 27 7.149 -9.934 -3.509 1.00 0.00 O ATOM 434 CB ALA A 27 5.923 -12.887 -4.202 1.00 0.00 C ATOM 0 H ALA A 27 6.851 -13.031 -6.479 1.00 0.00 H new ATOM 0 HA ALA A 27 5.500 -10.993 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.581 -12.590 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.111 -13.383 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.765 -13.572 -4.105 1.00 0.00 H new ATOM 440 N THR A 28 8.685 -11.330 -4.357 1.00 0.00 N ATOM 441 CA THR A 28 9.798 -10.664 -3.697 1.00 0.00 C ATOM 442 C THR A 28 9.988 -9.252 -4.255 1.00 0.00 C ATOM 443 O THR A 28 10.189 -8.303 -3.498 1.00 0.00 O ATOM 444 CB THR A 28 11.099 -11.479 -3.841 1.00 0.00 C ATOM 445 OG1 THR A 28 10.906 -12.788 -3.286 1.00 0.00 O ATOM 446 CG2 THR A 28 12.262 -10.792 -3.139 1.00 0.00 C ATOM 0 H THR A 28 8.949 -12.137 -4.923 1.00 0.00 H new ATOM 0 HA THR A 28 9.561 -10.590 -2.636 1.00 0.00 H new ATOM 0 HB THR A 28 11.340 -11.555 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.549 -13.386 -3.975 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.165 -11.391 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.420 -9.806 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.035 -10.686 -2.078 1.00 0.00 H new ATOM 454 N GLU A 29 9.895 -9.117 -5.577 1.00 0.00 N ATOM 455 CA GLU A 29 9.985 -7.808 -6.216 1.00 0.00 C ATOM 456 C GLU A 29 8.809 -6.932 -5.805 1.00 0.00 C ATOM 457 O GLU A 29 8.982 -5.760 -5.474 1.00 0.00 O ATOM 458 CB GLU A 29 10.019 -7.945 -7.738 1.00 0.00 C ATOM 459 CG GLU A 29 11.314 -8.532 -8.268 1.00 0.00 C ATOM 460 CD GLU A 29 11.347 -8.596 -9.780 1.00 0.00 C ATOM 461 OE1 GLU A 29 11.096 -7.562 -10.433 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.647 -9.679 -10.326 1.00 0.00 O ATOM 0 H GLU A 29 9.758 -9.895 -6.223 1.00 0.00 H new ATOM 0 HA GLU A 29 10.912 -7.338 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.188 -8.574 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.865 -6.963 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.152 -7.932 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.447 -9.535 -7.862 1.00 0.00 H new ATOM 469 N LEU A 30 7.621 -7.521 -5.820 1.00 0.00 N ATOM 470 CA LEU A 30 6.405 -6.834 -5.408 1.00 0.00 C ATOM 471 C LEU A 30 6.559 -6.310 -3.986 1.00 0.00 C ATOM 472 O LEU A 30 6.289 -5.140 -3.709 1.00 0.00 O ATOM 473 CB LEU A 30 5.215 -7.802 -5.515 1.00 0.00 C ATOM 474 CG LEU A 30 3.820 -7.202 -5.308 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.787 -8.036 -6.047 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.463 -7.132 -3.829 1.00 0.00 C ATOM 0 H LEU A 30 7.473 -8.486 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 30 6.222 -5.981 -6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.243 -8.268 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.356 -8.597 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 30 3.825 -6.187 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.797 -7.606 -5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.021 -8.045 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.801 -9.056 -5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.468 -6.702 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.476 -8.136 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.190 -6.508 -3.308 1.00 0.00 H new ATOM 488 N ALA A 31 7.022 -7.176 -3.094 1.00 0.00 N ATOM 489 CA ALA A 31 7.227 -6.799 -1.708 1.00 0.00 C ATOM 490 C ALA A 31 8.328 -5.754 -1.584 1.00 0.00 C ATOM 491 O ALA A 31 8.219 -4.839 -0.779 1.00 0.00 O ATOM 492 CB ALA A 31 7.537 -8.021 -0.857 1.00 0.00 C ATOM 0 H ALA A 31 7.262 -8.144 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 31 6.303 -6.355 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.687 -7.715 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.705 -8.723 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.442 -8.502 -1.228 1.00 0.00 H new ATOM 498 N LYS A 32 9.377 -5.874 -2.401 1.00 0.00 N ATOM 499 CA LYS A 32 10.478 -4.915 -2.357 1.00 0.00 C ATOM 500 C LYS A 32 10.008 -3.544 -2.818 1.00 0.00 C ATOM 501 O LYS A 32 10.450 -2.520 -2.300 1.00 0.00 O ATOM 502 CB LYS A 32 11.660 -5.367 -3.216 1.00 0.00 C ATOM 503 CG LYS A 32 12.850 -4.423 -3.117 1.00 0.00 C ATOM 504 CD LYS A 32 14.032 -4.886 -3.948 1.00 0.00 C ATOM 505 CE LYS A 32 15.236 -3.984 -3.727 1.00 0.00 C ATOM 506 NZ LYS A 32 14.997 -2.594 -4.201 1.00 0.00 N ATOM 0 H LYS A 32 9.485 -6.616 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 32 10.813 -4.856 -1.322 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.967 -6.366 -2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.342 -5.438 -4.256 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.548 -3.428 -3.444 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.155 -4.337 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.288 -5.912 -3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.762 -4.886 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.483 -3.966 -2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 32 16.099 -4.400 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.885 -2.054 -4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.656 -2.616 -5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.283 -2.139 -3.597 1.00 0.00 H new ATOM 520 N MET A 33 9.107 -3.534 -3.789 1.00 0.00 N ATOM 521 CA MET A 33 8.522 -2.296 -4.277 1.00 0.00 C ATOM 522 C MET A 33 7.804 -1.586 -3.134 1.00 0.00 C ATOM 523 O MET A 33 7.876 -0.365 -2.997 1.00 0.00 O ATOM 524 CB MET A 33 7.556 -2.586 -5.428 1.00 0.00 C ATOM 525 CG MET A 33 6.962 -1.340 -6.062 1.00 0.00 C ATOM 526 SD MET A 33 5.882 -1.718 -7.458 1.00 0.00 S ATOM 527 CE MET A 33 4.635 -2.723 -6.653 1.00 0.00 C ATOM 0 H MET A 33 8.764 -4.374 -4.256 1.00 0.00 H new ATOM 0 HA MET A 33 9.312 -1.646 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.080 -3.157 -6.194 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.746 -3.216 -5.060 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.398 -0.788 -5.310 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.768 -0.688 -6.398 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.727 -2.727 -7.255 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.004 -3.743 -6.545 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.416 -2.311 -5.668 1.00 0.00 H new ATOM 537 N PHE A 34 7.134 -2.368 -2.299 1.00 0.00 N ATOM 538 CA PHE A 34 6.479 -1.830 -1.118 1.00 0.00 C ATOM 539 C PHE A 34 7.493 -1.501 -0.029 1.00 0.00 C ATOM 540 O PHE A 34 7.367 -0.490 0.651 1.00 0.00 O ATOM 541 CB PHE A 34 5.419 -2.795 -0.592 1.00 0.00 C ATOM 542 CG PHE A 34 4.128 -2.725 -1.353 1.00 0.00 C ATOM 543 CD1 PHE A 34 4.028 -3.251 -2.631 1.00 0.00 C ATOM 544 CD2 PHE A 34 3.016 -2.116 -0.795 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.843 -3.175 -3.334 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.830 -2.034 -1.494 1.00 0.00 C ATOM 547 CZ PHE A 34 1.743 -2.564 -2.765 1.00 0.00 C ATOM 0 H PHE A 34 7.031 -3.376 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 34 5.982 -0.904 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.807 -3.812 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.227 -2.576 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.887 -3.726 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.079 -1.700 0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.776 -3.593 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.971 -1.556 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.815 -2.501 -3.314 1.00 0.00 H new ATOM 557 N ASP A 35 8.499 -2.349 0.137 1.00 0.00 N ATOM 558 CA ASP A 35 9.566 -2.074 1.094 1.00 0.00 C ATOM 559 C ASP A 35 10.190 -0.716 0.814 1.00 0.00 C ATOM 560 O ASP A 35 10.191 0.170 1.666 1.00 0.00 O ATOM 561 CB ASP A 35 10.676 -3.129 1.032 1.00 0.00 C ATOM 562 CG ASP A 35 10.299 -4.473 1.623 1.00 0.00 C ATOM 563 OD1 ASP A 35 9.879 -4.521 2.800 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.485 -5.498 0.932 1.00 0.00 O ATOM 0 H ASP A 35 8.600 -3.226 -0.373 1.00 0.00 H new ATOM 0 HA ASP A 35 9.112 -2.092 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.966 -3.272 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.552 -2.748 1.557 1.00 0.00 H new ATOM 569 N ASP A 36 10.681 -0.557 -0.402 1.00 0.00 N ATOM 570 CA ASP A 36 11.511 0.584 -0.760 1.00 0.00 C ATOM 571 C ASP A 36 10.721 1.889 -0.827 1.00 0.00 C ATOM 572 O ASP A 36 11.218 2.934 -0.410 1.00 0.00 O ATOM 573 CB ASP A 36 12.202 0.325 -2.097 1.00 0.00 C ATOM 574 CG ASP A 36 13.383 1.246 -2.327 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.417 1.062 -1.652 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.292 2.147 -3.187 1.00 0.00 O ATOM 0 H ASP A 36 10.518 -1.211 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 36 12.255 0.700 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.540 -0.711 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.482 0.453 -2.905 1.00 0.00 H new ATOM 581 N ASP A 37 9.495 1.843 -1.337 1.00 0.00 N ATOM 582 CA ASP A 37 8.737 3.075 -1.555 1.00 0.00 C ATOM 583 C ASP A 37 7.575 3.246 -0.577 1.00 0.00 C ATOM 584 O ASP A 37 7.087 4.356 -0.391 1.00 0.00 O ATOM 585 CB ASP A 37 8.224 3.150 -2.992 1.00 0.00 C ATOM 586 CG ASP A 37 9.344 3.285 -4.008 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.033 4.331 -4.018 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.527 2.354 -4.820 1.00 0.00 O ATOM 0 H ASP A 37 9.010 0.986 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 37 9.432 3.894 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.644 2.254 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.548 3.999 -3.088 1.00 0.00 H new ATOM 593 N ILE A 38 7.122 2.167 0.049 1.00 0.00 N ATOM 594 CA ILE A 38 6.025 2.268 1.011 1.00 0.00 C ATOM 595 C ILE A 38 6.548 2.363 2.452 1.00 0.00 C ATOM 596 O ILE A 38 6.057 3.178 3.236 1.00 0.00 O ATOM 597 CB ILE A 38 5.002 1.096 0.886 1.00 0.00 C ATOM 598 CG1 ILE A 38 3.964 1.383 -0.208 1.00 0.00 C ATOM 599 CG2 ILE A 38 4.296 0.825 2.209 1.00 0.00 C ATOM 600 CD1 ILE A 38 4.383 0.974 -1.605 1.00 0.00 C ATOM 0 H ILE A 38 7.488 1.225 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 38 5.496 3.189 0.767 1.00 0.00 H new ATOM 0 HB ILE A 38 5.568 0.206 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.038 0.866 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.743 2.450 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.591 0.003 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.033 0.559 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.758 1.719 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.587 1.216 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.290 1.510 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.574 -0.099 -1.628 1.00 0.00 H new ATOM 612 N LEU A 39 7.562 1.565 2.794 1.00 0.00 N ATOM 613 CA LEU A 39 8.038 1.491 4.182 1.00 0.00 C ATOM 614 C LEU A 39 8.606 2.826 4.698 1.00 0.00 C ATOM 615 O LEU A 39 8.265 3.241 5.804 1.00 0.00 O ATOM 616 CB LEU A 39 9.064 0.364 4.356 1.00 0.00 C ATOM 617 CG LEU A 39 8.492 -1.025 4.690 1.00 0.00 C ATOM 618 CD1 LEU A 39 8.054 -1.089 6.143 1.00 0.00 C ATOM 619 CD2 LEU A 39 7.322 -1.376 3.781 1.00 0.00 C ATOM 0 H LEU A 39 8.066 0.967 2.140 1.00 0.00 H new ATOM 0 HA LEU A 39 7.162 1.267 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.645 0.284 3.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.757 0.650 5.148 1.00 0.00 H new ATOM 0 HG LEU A 39 9.285 -1.754 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.653 -2.079 6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.910 -0.895 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.285 -0.338 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.941 -2.363 4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.530 -0.637 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.656 -1.380 2.743 1.00 0.00 H new ATOM 631 N PRO A 40 9.473 3.530 3.932 1.00 0.00 N ATOM 632 CA PRO A 40 10.010 4.832 4.360 1.00 0.00 C ATOM 633 C PRO A 40 8.944 5.930 4.374 1.00 0.00 C ATOM 634 O PRO A 40 9.192 7.046 4.833 1.00 0.00 O ATOM 635 CB PRO A 40 11.085 5.155 3.312 1.00 0.00 C ATOM 636 CG PRO A 40 11.331 3.875 2.591 1.00 0.00 C ATOM 637 CD PRO A 40 10.032 3.128 2.633 1.00 0.00 C ATOM 0 HA PRO A 40 10.392 4.786 5.380 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.746 5.933 2.628 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.997 5.522 3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.644 4.059 1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.127 3.303 3.069 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.378 3.406 1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.182 2.050 2.572 1.00 0.00 H new ATOM 645 N ILE A 41 7.760 5.612 3.866 1.00 0.00 N ATOM 646 CA ILE A 41 6.668 6.570 3.833 1.00 0.00 C ATOM 647 C ILE A 41 5.662 6.279 4.945 1.00 0.00 C ATOM 648 O ILE A 41 5.486 7.088 5.850 1.00 0.00 O ATOM 649 CB ILE A 41 5.946 6.569 2.465 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.938 6.850 1.328 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.821 7.598 2.449 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.604 8.210 1.407 1.00 0.00 C ATOM 0 H ILE A 41 7.534 4.699 3.472 1.00 0.00 H new ATOM 0 HA ILE A 41 7.102 7.558 3.988 1.00 0.00 H new ATOM 0 HB ILE A 41 5.514 5.580 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.709 6.079 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.414 6.769 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.326 7.581 1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.098 7.359 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.233 8.591 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.289 8.329 0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.844 8.990 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.158 8.290 2.342 1.00 0.00 H new ATOM 664 N ILE A 42 5.028 5.116 4.893 1.00 0.00 N ATOM 665 CA ILE A 42 3.985 4.771 5.857 1.00 0.00 C ATOM 666 C ILE A 42 4.247 3.423 6.517 1.00 0.00 C ATOM 667 O ILE A 42 3.366 2.874 7.180 1.00 0.00 O ATOM 668 CB ILE A 42 2.599 4.699 5.191 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.615 3.670 4.057 1.00 0.00 C ATOM 670 CG2 ILE A 42 2.171 6.069 4.680 1.00 0.00 C ATOM 671 CD1 ILE A 42 1.252 3.107 3.740 1.00 0.00 C ATOM 0 H ILE A 42 5.215 4.395 4.196 1.00 0.00 H new ATOM 0 HA ILE A 42 4.002 5.562 6.607 1.00 0.00 H new ATOM 0 HB ILE A 42 1.869 4.382 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.026 4.135 3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.284 2.853 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.189 5.993 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.123 6.770 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.894 6.426 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.337 2.385 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.848 2.614 4.624 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.586 3.915 3.439 1.00 0.00 H new ATOM 683 N GLY A 43 5.455 2.909 6.345 1.00 0.00 N ATOM 684 CA GLY A 43 5.772 1.564 6.790 1.00 0.00 C ATOM 685 C GLY A 43 5.470 1.324 8.255 1.00 0.00 C ATOM 686 O GLY A 43 4.800 0.352 8.603 1.00 0.00 O ATOM 0 H GLY A 43 6.229 3.403 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.209 0.849 6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.829 1.370 6.609 1.00 0.00 H new ATOM 690 N GLY A 44 5.944 2.216 9.109 1.00 0.00 N ATOM 691 CA GLY A 44 5.772 2.035 10.536 1.00 0.00 C ATOM 692 C GLY A 44 4.548 2.744 11.074 1.00 0.00 C ATOM 693 O GLY A 44 4.417 2.930 12.284 1.00 0.00 O ATOM 0 H GLY A 44 6.445 3.063 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.695 0.970 10.756 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.657 2.404 11.054 1.00 0.00 H new ATOM 697 N LEU A 45 3.643 3.144 10.189 1.00 0.00 N ATOM 698 CA LEU A 45 2.435 3.827 10.616 1.00 0.00 C ATOM 699 C LEU A 45 1.307 2.828 10.805 1.00 0.00 C ATOM 700 O LEU A 45 1.232 1.822 10.095 1.00 0.00 O ATOM 701 CB LEU A 45 2.027 4.892 9.596 1.00 0.00 C ATOM 702 CG LEU A 45 3.051 6.004 9.375 1.00 0.00 C ATOM 703 CD1 LEU A 45 2.563 6.979 8.317 1.00 0.00 C ATOM 704 CD2 LEU A 45 3.338 6.733 10.677 1.00 0.00 C ATOM 0 H LEU A 45 3.724 3.008 9.181 1.00 0.00 H new ATOM 0 HA LEU A 45 2.637 4.319 11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.833 4.403 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.089 5.342 9.920 1.00 0.00 H new ATOM 0 HG LEU A 45 3.977 5.550 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.306 7.763 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.410 6.449 7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.622 7.425 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.070 7.521 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.416 7.173 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.734 6.029 11.409 1.00 0.00 H new ATOM 716 N GLU A 46 0.441 3.097 11.771 1.00 0.00 N ATOM 717 CA GLU A 46 -0.730 2.264 11.985 1.00 0.00 C ATOM 718 C GLU A 46 -1.676 2.439 10.816 1.00 0.00 C ATOM 719 O GLU A 46 -1.904 3.555 10.368 1.00 0.00 O ATOM 720 CB GLU A 46 -1.441 2.614 13.293 1.00 0.00 C ATOM 721 CG GLU A 46 -0.615 2.318 14.534 1.00 0.00 C ATOM 722 CD GLU A 46 -1.440 2.372 15.802 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.085 1.359 16.135 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.458 3.431 16.468 1.00 0.00 O ATOM 0 H GLU A 46 0.528 3.882 12.416 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.409 1.225 12.058 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.700 3.673 13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.376 2.057 13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.163 1.331 14.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.201 3.037 14.604 1.00 0.00 H new ATOM 731 N ILE A 47 -2.226 1.342 10.330 1.00 0.00 N ATOM 732 CA ILE A 47 -3.055 1.368 9.135 1.00 0.00 C ATOM 733 C ILE A 47 -4.286 2.270 9.317 1.00 0.00 C ATOM 734 O ILE A 47 -4.840 2.783 8.349 1.00 0.00 O ATOM 735 CB ILE A 47 -3.480 -0.063 8.734 1.00 0.00 C ATOM 736 CG1 ILE A 47 -3.946 -0.091 7.280 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.573 -0.583 9.659 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.121 -1.485 6.724 1.00 0.00 C ATOM 0 H ILE A 47 -2.114 0.417 10.745 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.455 1.791 8.329 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.615 -0.718 8.833 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.893 0.443 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.224 0.447 6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.856 -1.592 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.204 -0.601 10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.443 0.071 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.453 -1.424 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.171 -2.017 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.865 -2.021 7.313 1.00 0.00 H new ATOM 750 N GLN A 48 -4.687 2.489 10.565 1.00 0.00 N ATOM 751 CA GLN A 48 -5.824 3.353 10.857 1.00 0.00 C ATOM 752 C GLN A 48 -5.351 4.779 11.171 1.00 0.00 C ATOM 753 O GLN A 48 -6.153 5.702 11.306 1.00 0.00 O ATOM 754 CB GLN A 48 -6.632 2.779 12.029 1.00 0.00 C ATOM 755 CG GLN A 48 -7.926 3.527 12.304 1.00 0.00 C ATOM 756 CD GLN A 48 -8.754 2.907 13.413 1.00 0.00 C ATOM 757 OE1 GLN A 48 -8.713 1.698 13.641 1.00 0.00 O ATOM 758 NE2 GLN A 48 -9.522 3.733 14.105 1.00 0.00 N ATOM 0 H GLN A 48 -4.243 2.081 11.388 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.467 3.396 9.978 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.864 1.734 11.822 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.015 2.796 12.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.692 4.558 12.568 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.520 3.559 11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -9.528 4.729 13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.108 3.374 14.858 1.00 0.00 H new ATOM 767 N ASP A 49 -4.041 4.952 11.260 1.00 0.00 N ATOM 768 CA ASP A 49 -3.450 6.244 11.606 1.00 0.00 C ATOM 769 C ASP A 49 -2.792 6.877 10.381 1.00 0.00 C ATOM 770 O ASP A 49 -2.434 8.055 10.387 1.00 0.00 O ATOM 771 CB ASP A 49 -2.422 6.058 12.730 1.00 0.00 C ATOM 772 CG ASP A 49 -1.816 7.362 13.217 1.00 0.00 C ATOM 773 OD1 ASP A 49 -2.444 8.034 14.060 1.00 0.00 O ATOM 774 OD2 ASP A 49 -0.698 7.710 12.777 1.00 0.00 O ATOM 0 H ASP A 49 -3.360 4.211 11.097 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.238 6.912 11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.900 5.553 13.569 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.624 5.405 12.377 1.00 0.00 H new ATOM 779 N ILE A 50 -2.653 6.078 9.326 1.00 0.00 N ATOM 780 CA ILE A 50 -2.013 6.519 8.092 1.00 0.00 C ATOM 781 C ILE A 50 -2.748 7.705 7.476 1.00 0.00 C ATOM 782 O ILE A 50 -3.967 7.678 7.290 1.00 0.00 O ATOM 783 CB ILE A 50 -1.923 5.368 7.063 1.00 0.00 C ATOM 784 CG1 ILE A 50 -0.976 4.285 7.579 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.456 5.884 5.706 1.00 0.00 C ATOM 786 CD1 ILE A 50 -0.916 3.055 6.705 1.00 0.00 C ATOM 0 H ILE A 50 -2.979 5.112 9.303 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.003 6.834 8.353 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.917 4.940 6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.026 4.705 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.288 3.991 8.581 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.401 5.055 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.162 6.628 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.471 6.338 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.223 2.334 7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.908 2.609 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.574 3.333 5.708 1.00 0.00 H new ATOM 798 N GLU A 51 -1.989 8.746 7.177 1.00 0.00 N ATOM 799 CA GLU A 51 -2.523 9.950 6.564 1.00 0.00 C ATOM 800 C GLU A 51 -2.880 9.678 5.106 1.00 0.00 C ATOM 801 O GLU A 51 -2.059 9.149 4.357 1.00 0.00 O ATOM 802 CB GLU A 51 -1.479 11.065 6.632 1.00 0.00 C ATOM 803 CG GLU A 51 -0.832 11.213 8.000 1.00 0.00 C ATOM 804 CD GLU A 51 -1.738 11.879 9.013 1.00 0.00 C ATOM 805 OE1 GLU A 51 -2.817 11.330 9.320 1.00 0.00 O ATOM 806 OE2 GLU A 51 -1.357 12.954 9.520 1.00 0.00 O ATOM 0 H GLU A 51 -0.985 8.780 7.353 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.420 10.255 7.102 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.703 10.870 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.950 12.009 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.546 10.228 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.084 11.795 7.902 1.00 0.00 H new ATOM 813 N PRO A 52 -4.097 10.043 4.677 1.00 0.00 N ATOM 814 CA PRO A 52 -4.533 9.853 3.288 1.00 0.00 C ATOM 815 C PRO A 52 -3.639 10.608 2.308 1.00 0.00 C ATOM 816 O PRO A 52 -3.363 10.138 1.205 1.00 0.00 O ATOM 817 CB PRO A 52 -5.958 10.420 3.268 1.00 0.00 C ATOM 818 CG PRO A 52 -6.052 11.281 4.482 1.00 0.00 C ATOM 819 CD PRO A 52 -5.143 10.660 5.503 1.00 0.00 C ATOM 0 HA PRO A 52 -4.484 8.808 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.140 10.997 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.700 9.622 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.747 12.304 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.077 11.327 4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.733 11.405 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.664 9.922 6.113 1.00 0.00 H new ATOM 827 N MET A 53 -3.164 11.771 2.737 1.00 0.00 N ATOM 828 CA MET A 53 -2.288 12.591 1.912 1.00 0.00 C ATOM 829 C MET A 53 -0.883 11.997 1.876 1.00 0.00 C ATOM 830 O MET A 53 -0.112 12.240 0.949 1.00 0.00 O ATOM 831 CB MET A 53 -2.241 14.025 2.446 1.00 0.00 C ATOM 832 CG MET A 53 -3.604 14.699 2.491 1.00 0.00 C ATOM 833 SD MET A 53 -3.533 16.364 3.171 1.00 0.00 S ATOM 834 CE MET A 53 -5.272 16.800 3.168 1.00 0.00 C ATOM 0 H MET A 53 -3.372 12.167 3.654 1.00 0.00 H new ATOM 0 HA MET A 53 -2.686 12.609 0.897 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.815 14.017 3.449 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.572 14.616 1.820 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.018 14.740 1.484 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.284 14.094 3.091 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.395 17.809 3.563 1.00 0.00 H new ATOM 0 HE2 MET A 53 -5.655 16.760 2.148 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.825 16.097 3.791 1.00 0.00 H new ATOM 844 N GLN A 54 -0.561 11.200 2.884 1.00 0.00 N ATOM 845 CA GLN A 54 0.739 10.555 2.949 1.00 0.00 C ATOM 846 C GLN A 54 0.694 9.233 2.192 1.00 0.00 C ATOM 847 O GLN A 54 1.712 8.741 1.705 1.00 0.00 O ATOM 848 CB GLN A 54 1.164 10.347 4.398 1.00 0.00 C ATOM 849 CG GLN A 54 2.615 9.936 4.545 1.00 0.00 C ATOM 850 CD GLN A 54 3.129 10.115 5.953 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.668 10.985 6.692 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.099 9.310 6.329 1.00 0.00 N ATOM 0 H GLN A 54 -1.181 10.986 3.665 1.00 0.00 H new ATOM 0 HA GLN A 54 1.482 11.199 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.997 11.269 4.954 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.530 9.584 4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.724 8.892 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.227 10.525 3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.452 8.602 5.685 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.498 9.394 7.264 1.00 0.00 H new ATOM 861 N LEU A 55 -0.497 8.665 2.083 1.00 0.00 N ATOM 862 CA LEU A 55 -0.707 7.535 1.196 1.00 0.00 C ATOM 863 C LEU A 55 -0.524 8.011 -0.242 1.00 0.00 C ATOM 864 O LEU A 55 -0.076 7.267 -1.113 1.00 0.00 O ATOM 865 CB LEU A 55 -2.105 6.942 1.400 1.00 0.00 C ATOM 866 CG LEU A 55 -2.387 5.651 0.629 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.398 4.562 1.023 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.814 5.186 0.878 1.00 0.00 C ATOM 0 H LEU A 55 -1.327 8.966 2.594 1.00 0.00 H new ATOM 0 HA LEU A 55 0.016 6.750 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.248 6.749 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.844 7.688 1.109 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.267 5.854 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.616 3.653 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.384 4.892 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.485 4.361 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.999 4.267 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.956 5.002 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.511 5.956 0.547 1.00 0.00 H new ATOM 880 N LEU A 56 -0.854 9.280 -0.470 1.00 0.00 N ATOM 881 CA LEU A 56 -0.597 9.923 -1.749 1.00 0.00 C ATOM 882 C LEU A 56 0.907 10.101 -1.934 1.00 0.00 C ATOM 883 O LEU A 56 1.416 9.980 -3.041 1.00 0.00 O ATOM 884 CB LEU A 56 -1.334 11.274 -1.830 1.00 0.00 C ATOM 885 CG LEU A 56 -1.385 11.948 -3.214 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.110 12.722 -3.505 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.640 10.915 -4.302 1.00 0.00 C ATOM 0 H LEU A 56 -1.302 9.883 0.220 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.975 9.294 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.357 11.125 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.859 11.964 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.211 12.659 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.182 13.184 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.026 13.496 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.741 12.042 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.673 11.410 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.838 10.177 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.592 10.418 -4.116 1.00 0.00 H new ATOM 899 N GLU A 57 1.613 10.373 -0.837 1.00 0.00 N ATOM 900 CA GLU A 57 3.075 10.466 -0.854 1.00 0.00 C ATOM 901 C GLU A 57 3.682 9.170 -1.409 1.00 0.00 C ATOM 902 O GLU A 57 4.697 9.197 -2.103 1.00 0.00 O ATOM 903 CB GLU A 57 3.603 10.748 0.561 1.00 0.00 C ATOM 904 CG GLU A 57 5.118 10.865 0.662 1.00 0.00 C ATOM 905 CD GLU A 57 5.660 12.133 0.036 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.734 13.165 0.738 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.031 12.103 -1.154 1.00 0.00 O ATOM 0 H GLU A 57 1.195 10.534 0.079 1.00 0.00 H new ATOM 0 HA GLU A 57 3.369 11.290 -1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.156 11.673 0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.268 9.951 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.410 10.832 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.576 10.003 0.177 1.00 0.00 H new ATOM 914 N VAL A 58 3.047 8.042 -1.095 1.00 0.00 N ATOM 915 CA VAL A 58 3.445 6.747 -1.651 1.00 0.00 C ATOM 916 C VAL A 58 3.244 6.716 -3.169 1.00 0.00 C ATOM 917 O VAL A 58 4.176 6.464 -3.935 1.00 0.00 O ATOM 918 CB VAL A 58 2.631 5.591 -1.024 1.00 0.00 C ATOM 919 CG1 VAL A 58 2.945 4.275 -1.716 1.00 0.00 C ATOM 920 CG2 VAL A 58 2.903 5.483 0.468 1.00 0.00 C ATOM 0 H VAL A 58 2.252 7.997 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 58 4.501 6.614 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 58 1.573 5.811 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.362 3.475 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.692 4.350 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.007 4.054 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.319 4.663 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.964 5.293 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.621 6.415 0.958 1.00 0.00 H new ATOM 930 N ILE A 59 2.020 6.975 -3.593 1.00 0.00 N ATOM 931 CA ILE A 59 1.676 6.960 -5.013 1.00 0.00 C ATOM 932 C ILE A 59 2.507 7.991 -5.783 1.00 0.00 C ATOM 933 O ILE A 59 2.991 7.726 -6.885 1.00 0.00 O ATOM 934 CB ILE A 59 0.159 7.219 -5.212 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.638 5.914 -5.101 1.00 0.00 C ATOM 936 CG2 ILE A 59 -0.129 7.906 -6.541 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.608 5.281 -3.724 1.00 0.00 C ATOM 0 H ILE A 59 1.241 7.200 -2.975 1.00 0.00 H new ATOM 0 HA ILE A 59 1.908 5.972 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.160 7.892 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.674 6.110 -5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.246 5.200 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.202 8.069 -6.641 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.389 8.865 -6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.220 7.276 -7.359 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.196 4.363 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.422 5.050 -3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.028 5.974 -2.996 1.00 0.00 H new ATOM 949 N ARG A 60 2.700 9.150 -5.172 1.00 0.00 N ATOM 950 CA ARG A 60 3.463 10.231 -5.774 1.00 0.00 C ATOM 951 C ARG A 60 4.959 9.905 -5.761 1.00 0.00 C ATOM 952 O ARG A 60 5.738 10.460 -6.537 1.00 0.00 O ATOM 953 CB ARG A 60 3.162 11.533 -5.028 1.00 0.00 C ATOM 954 CG ARG A 60 3.827 12.765 -5.608 1.00 0.00 C ATOM 955 CD ARG A 60 3.237 14.040 -5.022 1.00 0.00 C ATOM 956 NE ARG A 60 3.132 13.983 -3.562 1.00 0.00 N ATOM 957 CZ ARG A 60 4.095 14.365 -2.724 1.00 0.00 C ATOM 958 NH1 ARG A 60 5.265 14.781 -3.192 1.00 0.00 N ATOM 959 NH2 ARG A 60 3.892 14.315 -1.413 1.00 0.00 N ATOM 0 H ARG A 60 2.332 9.367 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 60 3.170 10.352 -6.817 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.083 11.689 -5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.476 11.422 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.898 12.731 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.706 12.770 -6.691 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.858 14.889 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.249 14.210 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 60 2.264 13.627 -3.160 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.431 14.810 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.998 15.072 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.999 13.984 -1.047 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.629 14.607 -0.771 1.00 0.00 H new ATOM 973 N ARG A 61 5.345 8.984 -4.885 1.00 0.00 N ATOM 974 CA ARG A 61 6.702 8.454 -4.873 1.00 0.00 C ATOM 975 C ARG A 61 6.978 7.732 -6.188 1.00 0.00 C ATOM 976 O ARG A 61 8.027 7.912 -6.806 1.00 0.00 O ATOM 977 CB ARG A 61 6.880 7.497 -3.690 1.00 0.00 C ATOM 978 CG ARG A 61 8.199 6.751 -3.673 1.00 0.00 C ATOM 979 CD ARG A 61 9.382 7.682 -3.488 1.00 0.00 C ATOM 980 NE ARG A 61 10.630 6.937 -3.354 1.00 0.00 N ATOM 981 CZ ARG A 61 11.792 7.484 -3.000 1.00 0.00 C ATOM 982 NH1 ARG A 61 11.870 8.787 -2.747 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.876 6.727 -2.888 1.00 0.00 N ATOM 0 H ARG A 61 4.734 8.588 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 61 7.411 9.275 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.787 8.064 -2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.067 6.771 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.188 6.016 -2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.315 6.200 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.450 8.359 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.227 8.298 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 61 10.611 5.935 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.038 9.372 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.762 9.201 -2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.820 5.725 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.765 7.147 -2.617 1.00 0.00 H new ATOM 997 N PHE A 62 6.016 6.921 -6.614 1.00 0.00 N ATOM 998 CA PHE A 62 6.109 6.243 -7.903 1.00 0.00 C ATOM 999 C PHE A 62 5.944 7.239 -9.048 1.00 0.00 C ATOM 1000 O PHE A 62 6.532 7.074 -10.119 1.00 0.00 O ATOM 1001 CB PHE A 62 5.053 5.144 -8.012 1.00 0.00 C ATOM 1002 CG PHE A 62 5.235 4.036 -7.019 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.132 3.014 -7.265 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.508 4.017 -5.840 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.304 1.991 -6.355 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.676 2.997 -4.925 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.574 1.983 -5.183 1.00 0.00 C ATOM 0 H PHE A 62 5.166 6.717 -6.089 1.00 0.00 H new ATOM 0 HA PHE A 62 7.097 5.788 -7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.066 5.585 -7.874 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.078 4.726 -9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.705 3.016 -8.180 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.802 4.808 -5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.008 1.198 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.105 2.993 -4.008 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.706 1.183 -4.469 1.00 0.00 H new ATOM 1017 N GLU A 63 5.145 8.275 -8.804 1.00 0.00 N ATOM 1018 CA GLU A 63 4.900 9.332 -9.785 1.00 0.00 C ATOM 1019 C GLU A 63 6.209 9.984 -10.228 1.00 0.00 C ATOM 1020 O GLU A 63 6.396 10.276 -11.409 1.00 0.00 O ATOM 1021 CB GLU A 63 3.961 10.388 -9.190 1.00 0.00 C ATOM 1022 CG GLU A 63 3.672 11.558 -10.117 1.00 0.00 C ATOM 1023 CD GLU A 63 2.903 12.668 -9.431 1.00 0.00 C ATOM 1024 OE1 GLU A 63 3.539 13.518 -8.771 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.661 12.702 -9.548 1.00 0.00 O ATOM 0 H GLU A 63 4.649 8.406 -7.922 1.00 0.00 H new ATOM 0 HA GLU A 63 4.431 8.884 -10.661 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.019 9.910 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.399 10.769 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.612 11.955 -10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.103 11.204 -10.976 1.00 0.00 H new ATOM 1032 N ASP A 64 7.115 10.190 -9.274 1.00 0.00 N ATOM 1033 CA ASP A 64 8.412 10.807 -9.556 1.00 0.00 C ATOM 1034 C ASP A 64 9.168 10.031 -10.629 1.00 0.00 C ATOM 1035 O ASP A 64 9.815 10.618 -11.497 1.00 0.00 O ATOM 1036 CB ASP A 64 9.261 10.879 -8.284 1.00 0.00 C ATOM 1037 CG ASP A 64 10.632 11.488 -8.531 1.00 0.00 C ATOM 1038 OD1 ASP A 64 10.741 12.733 -8.531 1.00 0.00 O ATOM 1039 OD2 ASP A 64 11.607 10.728 -8.718 1.00 0.00 O ATOM 0 H ASP A 64 6.975 9.938 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 64 8.224 11.817 -9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.735 11.469 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.381 9.876 -7.874 1.00 0.00 H new ATOM 1044 N ARG A 65 9.057 8.711 -10.583 1.00 0.00 N ATOM 1045 CA ARG A 65 9.771 7.857 -11.522 1.00 0.00 C ATOM 1046 C ARG A 65 8.907 7.545 -12.740 1.00 0.00 C ATOM 1047 O ARG A 65 9.275 6.733 -13.588 1.00 0.00 O ATOM 1048 CB ARG A 65 10.213 6.562 -10.835 1.00 0.00 C ATOM 1049 CG ARG A 65 11.053 6.801 -9.591 1.00 0.00 C ATOM 1050 CD ARG A 65 11.715 5.526 -9.094 1.00 0.00 C ATOM 1051 NE ARG A 65 10.748 4.478 -8.776 1.00 0.00 N ATOM 1052 CZ ARG A 65 10.418 4.124 -7.537 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.888 4.800 -6.497 1.00 0.00 N ATOM 1054 NH2 ARG A 65 9.601 3.102 -7.340 1.00 0.00 N ATOM 0 H ARG A 65 8.481 8.209 -9.907 1.00 0.00 H new ATOM 0 HA ARG A 65 10.657 8.392 -11.863 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.330 5.983 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.785 5.960 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.819 7.545 -9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.423 7.213 -8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.406 5.160 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.307 5.750 -8.207 1.00 0.00 H new ATOM 0 HE ARG A 65 10.299 3.989 -9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.507 5.597 -6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.630 4.523 -5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.226 2.588 -8.137 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.346 2.828 -6.391 1.00 0.00 H new ATOM 1068 N GLY A 66 7.755 8.200 -12.820 1.00 0.00 N ATOM 1069 CA GLY A 66 6.873 8.024 -13.957 1.00 0.00 C ATOM 1070 C GLY A 66 6.168 6.682 -13.951 1.00 0.00 C ATOM 1071 O GLY A 66 5.612 6.260 -14.965 1.00 0.00 O ATOM 0 H GLY A 66 7.415 8.853 -12.114 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.129 8.820 -13.960 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.449 8.122 -14.877 1.00 0.00 H new ATOM 1075 N ALA A 67 6.183 6.016 -12.809 1.00 0.00 N ATOM 1076 CA ALA A 67 5.556 4.714 -12.686 1.00 0.00 C ATOM 1077 C ALA A 67 4.068 4.868 -12.402 1.00 0.00 C ATOM 1078 O ALA A 67 3.627 4.756 -11.261 1.00 0.00 O ATOM 1079 CB ALA A 67 6.234 3.898 -11.596 1.00 0.00 C ATOM 0 H ALA A 67 6.623 6.357 -11.954 1.00 0.00 H new ATOM 0 HA ALA A 67 5.670 4.181 -13.630 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.751 2.924 -11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.287 3.762 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.151 4.422 -10.644 1.00 0.00 H new ATOM 1085 N MET A 68 3.304 5.146 -13.447 1.00 0.00 N ATOM 1086 CA MET A 68 1.876 5.404 -13.307 1.00 0.00 C ATOM 1087 C MET A 68 1.127 4.131 -12.939 1.00 0.00 C ATOM 1088 O MET A 68 0.323 4.123 -12.004 1.00 0.00 O ATOM 1089 CB MET A 68 1.307 5.995 -14.598 1.00 0.00 C ATOM 1090 CG MET A 68 1.917 7.336 -15.001 1.00 0.00 C ATOM 1091 SD MET A 68 1.452 8.708 -13.915 1.00 0.00 S ATOM 1092 CE MET A 68 2.506 8.433 -12.491 1.00 0.00 C ATOM 0 H MET A 68 3.649 5.199 -14.405 1.00 0.00 H new ATOM 0 HA MET A 68 1.743 6.127 -12.502 1.00 0.00 H new ATOM 0 HB2 MET A 68 1.460 5.282 -15.408 1.00 0.00 H new ATOM 0 HB3 MET A 68 0.230 6.120 -14.482 1.00 0.00 H new ATOM 0 HG2 MET A 68 3.003 7.243 -15.008 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.611 7.572 -16.020 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.906 8.060 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 68 3.273 7.700 -12.742 1.00 0.00 H new ATOM 0 HE3 MET A 68 2.981 9.371 -12.203 1.00 0.00 H new ATOM 1102 N GLU A 69 1.397 3.054 -13.664 1.00 0.00 N ATOM 1103 CA GLU A 69 0.753 1.778 -13.389 1.00 0.00 C ATOM 1104 C GLU A 69 1.132 1.267 -12.007 1.00 0.00 C ATOM 1105 O GLU A 69 0.275 0.797 -11.264 1.00 0.00 O ATOM 1106 CB GLU A 69 1.108 0.738 -14.449 1.00 0.00 C ATOM 1107 CG GLU A 69 0.502 1.031 -15.808 1.00 0.00 C ATOM 1108 CD GLU A 69 0.738 -0.087 -16.800 1.00 0.00 C ATOM 1109 OE1 GLU A 69 -0.017 -1.084 -16.772 1.00 0.00 O ATOM 1110 OE2 GLU A 69 1.668 0.031 -17.621 1.00 0.00 O ATOM 0 H GLU A 69 2.055 3.038 -14.444 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.324 1.942 -13.418 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.192 0.685 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.770 -0.242 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.570 1.194 -15.697 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.926 1.956 -16.200 1.00 0.00 H new ATOM 1117 N ARG A 70 2.411 1.377 -11.662 1.00 0.00 N ATOM 1118 CA ARG A 70 2.887 0.931 -10.356 1.00 0.00 C ATOM 1119 C ARG A 70 2.294 1.779 -9.238 1.00 0.00 C ATOM 1120 O ARG A 70 1.978 1.262 -8.171 1.00 0.00 O ATOM 1121 CB ARG A 70 4.414 0.967 -10.277 1.00 0.00 C ATOM 1122 CG ARG A 70 5.106 0.025 -11.249 1.00 0.00 C ATOM 1123 CD ARG A 70 6.607 0.003 -11.023 1.00 0.00 C ATOM 1124 NE ARG A 70 7.300 -0.818 -12.016 1.00 0.00 N ATOM 1125 CZ ARG A 70 8.037 -1.889 -11.723 1.00 0.00 C ATOM 1126 NH1 ARG A 70 8.150 -2.305 -10.466 1.00 0.00 N ATOM 1127 NH2 ARG A 70 8.654 -2.546 -12.696 1.00 0.00 N ATOM 0 H ARG A 70 3.134 1.769 -12.265 1.00 0.00 H new ATOM 0 HA ARG A 70 2.557 -0.100 -10.229 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.754 1.985 -10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.721 0.715 -9.262 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.704 -0.981 -11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.895 0.336 -12.272 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.994 1.021 -11.061 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.818 -0.381 -10.025 1.00 0.00 H new ATOM 0 HE ARG A 70 7.213 -0.553 -12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.671 -1.804 -9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.716 -3.126 -10.249 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.563 -2.231 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.220 -3.366 -12.478 1.00 0.00 H new ATOM 1141 N ALA A 71 2.135 3.074 -9.491 1.00 0.00 N ATOM 1142 CA ALA A 71 1.539 3.978 -8.513 1.00 0.00 C ATOM 1143 C ALA A 71 0.111 3.559 -8.190 1.00 0.00 C ATOM 1144 O ALA A 71 -0.274 3.455 -7.025 1.00 0.00 O ATOM 1145 CB ALA A 71 1.566 5.409 -9.029 1.00 0.00 C ATOM 0 H ALA A 71 2.411 3.521 -10.365 1.00 0.00 H new ATOM 0 HA ALA A 71 2.127 3.925 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.118 6.071 -8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.598 5.711 -9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.002 5.471 -9.960 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.671 3.299 -9.228 1.00 0.00 N ATOM 1152 CA ASN A 72 -2.052 2.881 -9.041 1.00 0.00 C ATOM 1153 C ASN A 72 -2.120 1.454 -8.511 1.00 0.00 C ATOM 1154 O ASN A 72 -3.032 1.105 -7.763 1.00 0.00 O ATOM 1155 CB ASN A 72 -2.851 3.009 -10.340 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.097 4.458 -10.723 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.043 5.083 -10.248 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -2.253 5.004 -11.584 1.00 0.00 N ATOM 0 H ASN A 72 -0.375 3.370 -10.202 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.501 3.545 -8.302 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.314 2.508 -11.146 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.807 2.497 -10.228 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.377 5.974 -11.874 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.479 4.455 -11.958 1.00 0.00 H new ATOM 1165 N LYS A 73 -1.137 0.641 -8.881 1.00 0.00 N ATOM 1166 CA LYS A 73 -1.052 -0.725 -8.381 1.00 0.00 C ATOM 1167 C LYS A 73 -0.689 -0.716 -6.898 1.00 0.00 C ATOM 1168 O LYS A 73 -1.127 -1.582 -6.136 1.00 0.00 O ATOM 1169 CB LYS A 73 -0.036 -1.537 -9.193 1.00 0.00 C ATOM 1170 CG LYS A 73 0.032 -3.001 -8.792 1.00 0.00 C ATOM 1171 CD LYS A 73 0.412 -3.895 -9.965 1.00 0.00 C ATOM 1172 CE LYS A 73 1.825 -3.634 -10.462 1.00 0.00 C ATOM 1173 NZ LYS A 73 2.155 -4.478 -11.640 1.00 0.00 N ATOM 0 H LYS A 73 -0.390 0.904 -9.524 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.025 -1.203 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.292 -1.470 -10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.951 -1.090 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.761 -3.124 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.934 -3.314 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.323 -4.939 -9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.292 -3.736 -10.782 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.930 -2.582 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.536 -3.833 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.887 -4.008 -12.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.508 -5.402 -11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.302 -4.616 -12.218 1.00 0.00 H new ATOM 1187 N ALA A 74 0.108 0.271 -6.498 1.00 0.00 N ATOM 1188 CA ALA A 74 0.414 0.487 -5.091 1.00 0.00 C ATOM 1189 C ALA A 74 -0.862 0.808 -4.332 1.00 0.00 C ATOM 1190 O ALA A 74 -1.148 0.204 -3.301 1.00 0.00 O ATOM 1191 CB ALA A 74 1.423 1.617 -4.916 1.00 0.00 C ATOM 0 H ALA A 74 0.554 0.934 -7.132 1.00 0.00 H new ATOM 0 HA ALA A 74 0.855 -0.426 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.633 1.756 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.346 1.365 -5.439 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.012 2.539 -5.329 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.631 1.751 -4.872 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.902 2.155 -4.279 1.00 0.00 C ATOM 1199 C ARG A 75 -3.830 0.958 -4.119 1.00 0.00 C ATOM 1200 O ARG A 75 -4.386 0.734 -3.046 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.590 3.205 -5.154 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.855 3.770 -4.530 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.971 3.936 -5.550 1.00 0.00 C ATOM 1204 NE ARG A 75 -5.599 4.808 -6.666 1.00 0.00 N ATOM 1205 CZ ARG A 75 -6.483 5.309 -7.533 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -7.780 5.104 -7.349 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -6.075 6.020 -8.580 1.00 0.00 N ATOM 0 H ARG A 75 -1.392 2.253 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.690 2.578 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.893 4.020 -5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.836 2.760 -6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.191 3.110 -3.730 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.634 4.735 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.250 2.956 -5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.851 4.345 -5.054 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.614 5.045 -6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.102 4.564 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.456 5.486 -8.011 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.079 6.187 -8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.758 6.398 -9.237 1.00 0.00 H new ATOM 1221 N ARG A 76 -3.984 0.196 -5.197 1.00 0.00 N ATOM 1222 CA ARG A 76 -4.894 -0.942 -5.217 1.00 0.00 C ATOM 1223 C ARG A 76 -4.525 -1.956 -4.140 1.00 0.00 C ATOM 1224 O ARG A 76 -5.386 -2.428 -3.394 1.00 0.00 O ATOM 1225 CB ARG A 76 -4.861 -1.615 -6.589 1.00 0.00 C ATOM 1226 CG ARG A 76 -6.018 -2.571 -6.824 1.00 0.00 C ATOM 1227 CD ARG A 76 -5.874 -3.324 -8.138 1.00 0.00 C ATOM 1228 NE ARG A 76 -5.544 -2.440 -9.261 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.408 -1.605 -9.848 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -7.648 -1.495 -9.393 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -6.028 -0.883 -10.893 1.00 0.00 N ATOM 0 H ARG A 76 -3.486 0.348 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.900 -0.574 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.872 -0.847 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.923 -2.160 -6.695 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.073 -3.284 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -6.955 -2.014 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.096 -4.081 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.804 -3.850 -8.355 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.589 -2.464 -9.619 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.948 -2.049 -8.591 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.302 -0.856 -9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.076 -0.964 -11.250 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.688 -0.246 -11.340 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.239 -2.272 -4.053 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.759 -3.262 -3.100 1.00 0.00 C ATOM 1247 C ARG A 77 -2.792 -2.731 -1.676 1.00 0.00 C ATOM 1248 O ARG A 77 -3.122 -3.469 -0.751 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.363 -3.741 -3.485 1.00 0.00 C ATOM 1250 CG ARG A 77 -1.409 -4.932 -4.425 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.058 -5.229 -5.046 1.00 0.00 C ATOM 1252 NE ARG A 77 -0.076 -6.475 -5.820 1.00 0.00 N ATOM 1253 CZ ARG A 77 -0.707 -6.633 -6.988 1.00 0.00 C ATOM 1254 NH1 ARG A 77 -1.436 -5.646 -7.499 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -0.625 -7.792 -7.633 1.00 0.00 N ATOM 0 H ARG A 77 -2.510 -1.856 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.433 -4.118 -3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.818 -2.925 -3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -0.811 -4.011 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.756 -5.809 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.135 -4.740 -5.215 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.234 -4.403 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.695 -5.300 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 77 0.428 -7.277 -5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.517 -4.760 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.914 -5.774 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.081 -8.559 -7.237 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.106 -7.915 -8.524 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.469 -1.457 -1.496 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.613 -0.833 -0.189 1.00 0.00 C ATOM 1271 C CYS A 78 -4.073 -0.891 0.239 1.00 0.00 C ATOM 1272 O CYS A 78 -4.381 -1.248 1.373 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.123 0.615 -0.208 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.357 0.790 -0.544 1.00 0.00 S ATOM 0 H CYS A 78 -2.111 -0.843 -2.228 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.999 -1.380 0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.682 1.167 -0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.347 1.076 0.754 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.138 0.617 -1.814 1.00 0.00 H new ATOM 1280 N GLY A 79 -4.964 -0.569 -0.696 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.386 -0.647 -0.439 1.00 0.00 C ATOM 1282 C GLY A 79 -6.826 -2.041 -0.038 1.00 0.00 C ATOM 1283 O GLY A 79 -7.719 -2.192 0.794 1.00 0.00 O ATOM 0 H GLY A 79 -4.719 -0.253 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.648 0.055 0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.931 -0.340 -1.332 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.200 -3.062 -0.621 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.516 -4.441 -0.272 1.00 0.00 C ATOM 1289 C GLU A 80 -6.041 -4.742 1.145 1.00 0.00 C ATOM 1290 O GLU A 80 -6.710 -5.449 1.897 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.882 -5.422 -1.263 1.00 0.00 C ATOM 1292 CG GLU A 80 -6.402 -6.845 -1.118 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.774 -7.809 -2.104 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.709 -7.480 -3.308 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -5.360 -8.909 -1.684 1.00 0.00 O ATOM 0 H GLU A 80 -5.476 -2.959 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.598 -4.566 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.072 -5.075 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.801 -5.422 -1.123 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.209 -7.195 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.483 -6.846 -1.256 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.889 -4.186 1.508 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.378 -4.310 2.867 1.00 0.00 C ATOM 1304 C VAL A 81 -5.323 -3.612 3.846 1.00 0.00 C ATOM 1305 O VAL A 81 -5.650 -4.158 4.902 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.955 -3.719 2.999 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.442 -3.845 4.426 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.999 -4.402 2.032 1.00 0.00 C ATOM 0 H VAL A 81 -4.293 -3.646 0.880 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.322 -5.372 3.105 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.007 -2.660 2.747 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.440 -3.422 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.108 -3.307 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.411 -4.897 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.003 -3.972 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.960 -5.469 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.348 -4.255 1.010 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.771 -2.412 3.478 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.773 -1.692 4.262 1.00 0.00 C ATOM 1320 C PHE A 82 -8.044 -2.524 4.391 1.00 0.00 C ATOM 1321 O PHE A 82 -8.601 -2.659 5.480 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.108 -0.340 3.620 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.093 0.741 3.874 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -6.094 1.440 5.069 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.149 1.065 2.917 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -5.167 2.438 5.303 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.221 2.061 3.145 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.229 2.749 4.340 1.00 0.00 C ATOM 0 H PHE A 82 -5.456 -1.919 2.643 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.355 -1.514 5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.210 -0.479 2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.077 -0.006 3.992 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.827 1.203 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.138 0.531 1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.177 2.975 6.240 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.489 2.301 2.388 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.504 3.528 4.522 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.488 -3.079 3.269 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.656 -3.950 3.234 1.00 0.00 C ATOM 1340 C ARG A 83 -9.478 -5.120 4.196 1.00 0.00 C ATOM 1341 O ARG A 83 -10.349 -5.398 5.020 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.863 -4.471 1.808 1.00 0.00 C ATOM 1343 CG ARG A 83 -11.011 -5.454 1.655 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.035 -6.052 0.258 1.00 0.00 C ATOM 1345 NE ARG A 83 -12.100 -7.038 0.094 1.00 0.00 N ATOM 1346 CZ ARG A 83 -11.939 -8.209 -0.519 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -10.750 -8.553 -1.000 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -12.966 -9.039 -0.653 1.00 0.00 N ATOM 0 H ARG A 83 -8.049 -2.938 2.359 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.532 -3.380 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.038 -3.622 1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.943 -4.951 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.913 -6.250 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.956 -4.949 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.166 -5.255 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.073 -6.521 0.050 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.021 -6.816 0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.957 -7.919 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.630 -9.451 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.882 -8.781 -0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.839 -9.935 -1.123 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.335 -5.786 4.091 1.00 0.00 N ATOM 1363 CA TYR A 84 -8.024 -6.934 4.930 1.00 0.00 C ATOM 1364 C TYR A 84 -7.997 -6.534 6.405 1.00 0.00 C ATOM 1365 O TYR A 84 -8.440 -7.289 7.271 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.678 -7.536 4.510 1.00 0.00 C ATOM 1367 CG TYR A 84 -6.362 -8.857 5.173 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -7.098 -9.996 4.876 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.324 -8.966 6.089 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -6.810 -11.206 5.471 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.030 -10.175 6.690 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.776 -11.293 6.377 1.00 0.00 C ATOM 1373 OH TYR A 84 -5.489 -12.501 6.972 1.00 0.00 O ATOM 0 H TYR A 84 -7.601 -5.546 3.425 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.803 -7.685 4.799 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.675 -7.674 3.429 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.885 -6.825 4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.910 -9.933 4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.738 -8.093 6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.393 -12.082 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.220 -10.245 7.401 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.732 -12.392 7.584 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.491 -5.337 6.681 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.451 -4.813 8.039 1.00 0.00 C ATOM 1385 C ALA A 85 -8.856 -4.585 8.579 1.00 0.00 C ATOM 1386 O ALA A 85 -9.114 -4.798 9.763 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.650 -3.527 8.094 1.00 0.00 C ATOM 0 H ALA A 85 -7.101 -4.710 5.978 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.960 -5.555 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.633 -3.153 9.118 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.630 -3.719 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.110 -2.783 7.443 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.762 -4.154 7.713 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.154 -3.959 8.099 1.00 0.00 C ATOM 1395 C ILE A 86 -11.817 -5.308 8.379 1.00 0.00 C ATOM 1396 O ILE A 86 -12.652 -5.431 9.277 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.946 -3.200 7.008 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.317 -1.826 6.754 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.408 -3.047 7.410 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -11.969 -1.056 5.625 1.00 0.00 C ATOM 0 H ILE A 86 -9.559 -3.932 6.738 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.165 -3.354 9.005 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.904 -3.781 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.377 -1.234 7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.259 -1.957 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.946 -2.510 6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.853 -4.033 7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.472 -2.488 8.344 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.470 -0.094 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.885 -1.626 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.021 -0.892 5.856 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.418 -6.322 7.622 1.00 0.00 N ATOM 1413 CA VAL A 87 -11.941 -7.671 7.803 1.00 0.00 C ATOM 1414 C VAL A 87 -11.471 -8.265 9.130 1.00 0.00 C ATOM 1415 O VAL A 87 -12.258 -8.858 9.868 1.00 0.00 O ATOM 1416 CB VAL A 87 -11.513 -8.600 6.647 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -12.048 -10.009 6.855 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -11.986 -8.041 5.315 1.00 0.00 C ATOM 0 H VAL A 87 -10.731 -6.235 6.873 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.028 -7.596 7.808 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.424 -8.650 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.733 -10.644 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.658 -10.412 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.137 -9.982 6.897 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -11.676 -8.708 4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.073 -7.959 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.548 -7.055 5.158 1.00 0.00 H new ATOM 1428 N THR A 88 -10.189 -8.097 9.436 1.00 0.00 N ATOM 1429 CA THR A 88 -9.633 -8.623 10.677 1.00 0.00 C ATOM 1430 C THR A 88 -9.980 -7.720 11.864 1.00 0.00 C ATOM 1431 O THR A 88 -9.782 -8.094 13.020 1.00 0.00 O ATOM 1432 CB THR A 88 -8.103 -8.817 10.585 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.600 -9.419 11.785 1.00 0.00 O ATOM 1434 CG2 THR A 88 -7.394 -7.495 10.350 1.00 0.00 C ATOM 0 H THR A 88 -9.519 -7.604 8.846 1.00 0.00 H new ATOM 0 HA THR A 88 -10.086 -9.601 10.838 1.00 0.00 H new ATOM 0 HB THR A 88 -7.906 -9.475 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.248 -9.295 12.510 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.319 -7.664 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.745 -7.055 9.417 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.609 -6.815 11.175 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.491 -6.528 11.571 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.970 -5.648 12.620 1.00 0.00 C ATOM 1444 C GLY A 89 -9.901 -4.730 13.184 1.00 0.00 C ATOM 1445 O GLY A 89 -10.060 -4.190 14.277 1.00 0.00 O ATOM 0 H GLY A 89 -10.582 -6.156 10.625 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.787 -5.042 12.228 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.381 -6.252 13.429 1.00 0.00 H new ATOM 1449 N ARG A 90 -8.820 -4.536 12.445 1.00 0.00 N ATOM 1450 CA ARG A 90 -7.749 -3.650 12.891 1.00 0.00 C ATOM 1451 C ARG A 90 -8.016 -2.223 12.427 1.00 0.00 C ATOM 1452 O ARG A 90 -7.450 -1.269 12.954 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.393 -4.129 12.370 1.00 0.00 C ATOM 1454 CG ARG A 90 -5.975 -5.482 12.918 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.657 -5.938 12.320 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.305 -7.294 12.733 1.00 0.00 N ATOM 1457 CZ ARG A 90 -3.800 -8.214 11.912 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -3.599 -7.931 10.633 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.503 -9.423 12.364 1.00 0.00 N ATOM 0 H ARG A 90 -8.659 -4.976 11.539 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.723 -3.669 13.981 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.429 -4.183 11.282 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.633 -3.391 12.628 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.884 -5.425 14.003 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.749 -6.219 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.719 -5.896 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.866 -5.251 12.621 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.455 -7.552 13.708 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.831 -7.005 10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.212 -8.639 10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.661 -9.654 13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.117 -10.123 11.731 1.00 0.00 H new ATOM 1473 N ALA A 91 -8.891 -2.090 11.439 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.286 -0.787 10.928 1.00 0.00 C ATOM 1475 C ALA A 91 -10.790 -0.759 10.692 1.00 0.00 C ATOM 1476 O ALA A 91 -11.418 -1.812 10.549 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.537 -0.467 9.641 1.00 0.00 C ATOM 0 H ALA A 91 -9.343 -2.877 10.973 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.031 -0.027 11.666 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.846 0.512 9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.465 -0.459 9.836 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.764 -1.224 8.890 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.369 0.431 10.664 1.00 0.00 N ATOM 1484 CA LYS A 92 -12.803 0.565 10.445 1.00 0.00 C ATOM 1485 C LYS A 92 -13.082 1.081 9.040 1.00 0.00 C ATOM 1486 O LYS A 92 -13.885 0.509 8.301 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.422 1.507 11.482 1.00 0.00 C ATOM 1488 CG LYS A 92 -14.935 1.595 11.393 1.00 0.00 C ATOM 1489 CD LYS A 92 -15.499 2.545 12.432 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.018 2.556 12.410 1.00 0.00 C ATOM 1491 NZ LYS A 92 -17.579 3.475 13.432 1.00 0.00 N ATOM 0 H LYS A 92 -10.873 1.314 10.789 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.257 -0.420 10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.144 1.169 12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.000 2.504 11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.223 1.931 10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.367 0.604 11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.151 2.251 13.422 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.124 3.552 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.365 2.857 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.391 1.547 12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.618 3.454 13.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.269 3.173 14.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.244 4.443 13.250 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.406 2.158 8.675 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.587 2.773 7.372 1.00 0.00 C ATOM 1507 C TYR A 93 -11.236 2.933 6.680 1.00 0.00 C ATOM 1508 O TYR A 93 -10.222 3.198 7.328 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.318 4.125 7.522 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.577 5.331 6.970 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -12.728 5.720 5.644 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.729 6.080 7.780 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -12.055 6.818 5.140 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -11.052 7.177 7.282 1.00 0.00 C ATOM 1515 CZ TYR A 93 -11.218 7.543 5.963 1.00 0.00 C ATOM 1516 OH TYR A 93 -10.537 8.629 5.461 1.00 0.00 O ATOM 0 H TYR A 93 -11.722 2.627 9.269 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.207 2.130 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.284 4.054 7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.518 4.295 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.382 5.155 4.996 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.598 5.799 8.815 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.184 7.107 4.107 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.395 7.746 7.924 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.103 9.099 4.813 1.00 0.00 H new ATOM 1526 N ASN A 94 -11.226 2.742 5.371 1.00 0.00 N ATOM 1527 CA ASN A 94 -10.010 2.873 4.587 1.00 0.00 C ATOM 1528 C ASN A 94 -10.000 4.209 3.852 1.00 0.00 C ATOM 1529 O ASN A 94 -10.937 4.528 3.121 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.874 1.712 3.587 1.00 0.00 C ATOM 1531 CG ASN A 94 -11.066 1.567 2.650 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -12.211 1.826 3.023 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.804 1.142 1.425 1.00 0.00 N ATOM 0 H ASN A 94 -12.052 2.494 4.827 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.159 2.837 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.972 1.860 2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.743 0.782 4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.563 1.019 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.843 0.937 1.151 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.941 5.013 4.041 1.00 0.00 N ATOM 1541 CA PRO A 95 -8.814 6.339 3.411 1.00 0.00 C ATOM 1542 C PRO A 95 -8.538 6.265 1.906 1.00 0.00 C ATOM 1543 O PRO A 95 -7.824 7.099 1.356 1.00 0.00 O ATOM 1544 CB PRO A 95 -7.620 6.961 4.141 1.00 0.00 C ATOM 1545 CG PRO A 95 -6.805 5.800 4.593 1.00 0.00 C ATOM 1546 CD PRO A 95 -7.783 4.701 4.901 1.00 0.00 C ATOM 0 HA PRO A 95 -9.738 6.912 3.494 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.048 7.613 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.945 7.569 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.103 5.491 3.819 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.216 6.056 5.474 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.367 3.719 4.673 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.058 4.693 5.956 1.00 0.00 H new ATOM 1554 N ALA A 96 -9.137 5.281 1.248 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.966 5.090 -0.187 1.00 0.00 C ATOM 1556 C ALA A 96 -9.670 6.194 -0.992 1.00 0.00 C ATOM 1557 O ALA A 96 -9.067 6.764 -1.902 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.454 3.708 -0.603 1.00 0.00 C ATOM 0 H ALA A 96 -9.751 4.597 1.690 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.901 5.159 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.319 3.583 -1.677 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.882 2.946 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.511 3.606 -0.356 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.952 6.519 -0.687 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.643 7.636 -1.342 1.00 0.00 C ATOM 1566 C PRO A 97 -10.925 8.962 -1.100 1.00 0.00 C ATOM 1567 O PRO A 97 -10.819 9.801 -1.996 1.00 0.00 O ATOM 1568 CB PRO A 97 -13.033 7.649 -0.689 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.890 6.852 0.562 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.834 5.828 0.274 1.00 0.00 C ATOM 0 HA PRO A 97 -11.681 7.514 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.355 8.667 -0.471 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.782 7.212 -1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.601 7.487 1.400 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.833 6.376 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -11.297 5.537 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -12.259 4.919 -0.151 1.00 0.00 H new ATOM 1578 N ASP A 98 -10.420 9.131 0.116 1.00 0.00 N ATOM 1579 CA ASP A 98 -9.664 10.323 0.481 1.00 0.00 C ATOM 1580 C ASP A 98 -8.354 10.379 -0.290 1.00 0.00 C ATOM 1581 O ASP A 98 -7.911 11.449 -0.697 1.00 0.00 O ATOM 1582 CB ASP A 98 -9.383 10.348 1.986 1.00 0.00 C ATOM 1583 CG ASP A 98 -10.622 10.635 2.808 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -11.335 9.677 3.174 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -10.881 11.821 3.100 1.00 0.00 O ATOM 0 H ASP A 98 -10.521 8.453 0.871 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.265 11.195 0.223 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.965 9.388 2.289 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -8.628 11.105 2.198 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.740 9.216 -0.481 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.524 9.098 -1.277 1.00 0.00 C ATOM 1592 C LEU A 99 -6.779 9.594 -2.697 1.00 0.00 C ATOM 1593 O LEU A 99 -6.026 10.415 -3.223 1.00 0.00 O ATOM 1594 CB LEU A 99 -6.046 7.630 -1.269 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.800 7.284 -2.106 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.152 7.089 -3.572 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.731 8.354 -1.959 1.00 0.00 C ATOM 0 H LEU A 99 -8.069 8.333 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.738 9.717 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.846 7.347 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.869 7.006 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.404 6.343 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.250 6.846 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.870 6.274 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.589 8.006 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.862 8.085 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.125 9.312 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.438 8.434 -0.912 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.849 9.096 -3.306 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.199 9.474 -4.668 1.00 0.00 C ATOM 1611 C ALA A 100 -8.494 10.967 -4.757 1.00 0.00 C ATOM 1612 O ALA A 100 -8.021 11.652 -5.665 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.391 8.664 -5.152 1.00 0.00 C ATOM 0 H ALA A 100 -8.489 8.428 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.347 9.258 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -9.641 8.958 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.143 7.603 -5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.245 8.850 -4.501 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.259 11.468 -3.795 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.632 12.876 -3.768 1.00 0.00 C ATOM 1621 C ASP A 101 -8.408 13.763 -3.559 1.00 0.00 C ATOM 1622 O ASP A 101 -8.265 14.806 -4.201 1.00 0.00 O ATOM 1623 CB ASP A 101 -10.664 13.125 -2.670 1.00 0.00 C ATOM 1624 CG ASP A 101 -11.229 14.528 -2.716 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -11.844 14.890 -3.741 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -11.074 15.269 -1.723 1.00 0.00 O ATOM 0 H ASP A 101 -9.634 10.918 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.072 13.132 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.477 12.406 -2.769 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.204 12.953 -1.697 1.00 0.00 H new ATOM 1631 N ALA A 102 -7.517 13.325 -2.678 1.00 0.00 N ATOM 1632 CA ALA A 102 -6.280 14.049 -2.412 1.00 0.00 C ATOM 1633 C ALA A 102 -5.396 14.064 -3.650 1.00 0.00 C ATOM 1634 O ALA A 102 -4.814 15.089 -3.988 1.00 0.00 O ATOM 1635 CB ALA A 102 -5.533 13.433 -1.239 1.00 0.00 C ATOM 0 H ALA A 102 -7.629 12.469 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.538 15.076 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.614 13.990 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.160 13.471 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.289 12.395 -1.467 1.00 0.00 H new ATOM 1641 N MET A 103 -5.308 12.918 -4.322 1.00 0.00 N ATOM 1642 CA MET A 103 -4.538 12.795 -5.559 1.00 0.00 C ATOM 1643 C MET A 103 -4.965 13.859 -6.567 1.00 0.00 C ATOM 1644 O MET A 103 -4.140 14.420 -7.287 1.00 0.00 O ATOM 1645 CB MET A 103 -4.737 11.401 -6.162 1.00 0.00 C ATOM 1646 CG MET A 103 -3.874 11.127 -7.385 1.00 0.00 C ATOM 1647 SD MET A 103 -4.223 9.523 -8.131 1.00 0.00 S ATOM 1648 CE MET A 103 -3.930 8.436 -6.738 1.00 0.00 C ATOM 0 H MET A 103 -5.764 12.054 -4.028 1.00 0.00 H new ATOM 0 HA MET A 103 -3.483 12.940 -5.325 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.518 10.652 -5.401 1.00 0.00 H new ATOM 0 HB3 MET A 103 -5.785 11.281 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 103 -4.038 11.911 -8.124 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.823 11.171 -7.101 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.497 7.500 -7.091 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.241 8.915 -6.042 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.873 8.231 -6.232 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.258 14.130 -6.606 1.00 0.00 N ATOM 1659 CA LYS A 104 -6.807 15.129 -7.512 1.00 0.00 C ATOM 1660 C LYS A 104 -6.443 16.538 -7.058 1.00 0.00 C ATOM 1661 O LYS A 104 -5.815 17.299 -7.799 1.00 0.00 O ATOM 1662 CB LYS A 104 -8.328 14.975 -7.591 1.00 0.00 C ATOM 1663 CG LYS A 104 -8.765 13.573 -7.985 1.00 0.00 C ATOM 1664 CD LYS A 104 -10.256 13.362 -7.793 1.00 0.00 C ATOM 1665 CE LYS A 104 -10.627 11.898 -7.967 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.068 11.651 -7.709 1.00 0.00 N ATOM 0 H LYS A 104 -6.953 13.670 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 104 -6.377 14.972 -8.501 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.764 15.227 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.723 15.689 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.506 13.393 -9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.217 12.843 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.549 13.699 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.808 13.968 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -10.381 11.580 -8.980 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.029 11.290 -7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.276 10.640 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.299 11.929 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -12.640 12.210 -8.373 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.814 16.864 -5.830 1.00 0.00 N ATOM 1681 CA GLY A 105 -6.636 18.213 -5.319 1.00 0.00 C ATOM 1682 C GLY A 105 -5.181 18.607 -5.140 1.00 0.00 C ATOM 1683 O GLY A 105 -4.814 19.762 -5.367 1.00 0.00 O ATOM 0 H GLY A 105 -7.240 16.214 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.113 18.917 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.148 18.300 -4.361 1.00 0.00 H new ATOM 1687 N TYR A 106 -4.350 17.649 -4.748 1.00 0.00 N ATOM 1688 CA TYR A 106 -2.942 17.915 -4.466 1.00 0.00 C ATOM 1689 C TYR A 106 -2.199 18.347 -5.730 1.00 0.00 C ATOM 1690 O TYR A 106 -1.212 19.080 -5.666 1.00 0.00 O ATOM 1691 CB TYR A 106 -2.283 16.669 -3.867 1.00 0.00 C ATOM 1692 CG TYR A 106 -0.920 16.919 -3.266 1.00 0.00 C ATOM 1693 CD1 TYR A 106 -0.793 17.352 -1.952 1.00 0.00 C ATOM 1694 CD2 TYR A 106 0.238 16.726 -4.008 1.00 0.00 C ATOM 1695 CE1 TYR A 106 0.448 17.584 -1.396 1.00 0.00 C ATOM 1696 CE2 TYR A 106 1.482 16.956 -3.458 1.00 0.00 C ATOM 1697 CZ TYR A 106 1.581 17.385 -2.153 1.00 0.00 C ATOM 1698 OH TYR A 106 2.819 17.621 -1.603 1.00 0.00 O ATOM 0 H TYR A 106 -4.627 16.676 -4.617 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.887 18.731 -3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.938 16.260 -3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.192 15.910 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.680 17.509 -1.356 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.163 16.391 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 106 0.531 17.920 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.373 16.801 -4.048 1.00 0.00 H new ATOM 0 HH TYR A 106 3.293 18.290 -2.139 1.00 0.00 H new ATOM 1708 N ARG A 107 -2.683 17.903 -6.883 1.00 0.00 N ATOM 1709 CA ARG A 107 -2.053 18.252 -8.150 1.00 0.00 C ATOM 1710 C ARG A 107 -2.323 19.707 -8.518 1.00 0.00 C ATOM 1711 O ARG A 107 -1.587 20.302 -9.303 1.00 0.00 O ATOM 1712 CB ARG A 107 -2.520 17.314 -9.262 1.00 0.00 C ATOM 1713 CG ARG A 107 -1.836 15.958 -9.217 1.00 0.00 C ATOM 1714 CD ARG A 107 -2.368 15.021 -10.285 1.00 0.00 C ATOM 1715 NE ARG A 107 -3.709 14.535 -9.969 1.00 0.00 N ATOM 1716 CZ ARG A 107 -4.559 14.057 -10.875 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -4.249 14.094 -12.164 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -5.727 13.555 -10.494 1.00 0.00 N ATOM 0 H ARG A 107 -3.504 17.304 -6.967 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.976 18.133 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.598 17.174 -9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.328 17.780 -10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.762 16.088 -9.350 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.983 15.510 -8.234 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -2.387 15.538 -11.244 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -1.691 14.173 -10.393 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.012 14.564 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.358 14.489 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.902 13.727 -12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.975 13.535 -9.505 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.377 13.189 -11.190 1.00 0.00 H new ATOM 1732 N LYS A 108 -3.366 20.283 -7.936 1.00 0.00 N ATOM 1733 CA LYS A 108 -3.669 21.693 -8.142 1.00 0.00 C ATOM 1734 C LYS A 108 -2.771 22.556 -7.264 1.00 0.00 C ATOM 1735 O LYS A 108 -2.189 23.540 -7.728 1.00 0.00 O ATOM 1736 CB LYS A 108 -5.142 21.984 -7.837 1.00 0.00 C ATOM 1737 CG LYS A 108 -6.102 21.469 -8.899 1.00 0.00 C ATOM 1738 CD LYS A 108 -5.950 22.235 -10.205 1.00 0.00 C ATOM 1739 CE LYS A 108 -6.862 21.689 -11.292 1.00 0.00 C ATOM 1740 NZ LYS A 108 -6.519 20.288 -11.655 1.00 0.00 N ATOM 0 H LYS A 108 -4.016 19.797 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.482 21.935 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.401 21.535 -6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.276 23.061 -7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -5.918 20.409 -9.074 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -7.127 21.560 -8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.176 23.288 -10.037 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.914 22.181 -10.539 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.897 21.733 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.790 22.321 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.020 20.023 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.493 20.210 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.804 19.650 -10.885 1.00 0.00 H new ATOM 1754 N LYS A 109 -2.653 22.172 -6.000 1.00 0.00 N ATOM 1755 CA LYS A 109 -1.817 22.894 -5.055 1.00 0.00 C ATOM 1756 C LYS A 109 -1.201 21.937 -4.044 1.00 0.00 C ATOM 1757 O LYS A 109 -1.885 21.070 -3.498 1.00 0.00 O ATOM 1758 CB LYS A 109 -2.628 23.965 -4.312 1.00 0.00 C ATOM 1759 CG LYS A 109 -1.826 24.680 -3.236 1.00 0.00 C ATOM 1760 CD LYS A 109 -2.682 25.629 -2.415 1.00 0.00 C ATOM 1761 CE LYS A 109 -1.879 26.238 -1.276 1.00 0.00 C ATOM 1762 NZ LYS A 109 -1.378 25.197 -0.337 1.00 0.00 N ATOM 0 H LYS A 109 -3.129 21.360 -5.606 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.023 23.380 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.995 24.698 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.502 23.500 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.369 23.943 -2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.013 25.238 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.070 26.421 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.542 25.094 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.036 26.797 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.501 26.950 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.793 25.644 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -2.184 24.715 0.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.806 24.504 -0.860 1.00 0.00 H new ATOM 1776 N ASN A 110 0.094 22.098 -3.805 1.00 0.00 N ATOM 1777 CA ASN A 110 0.783 21.337 -2.775 1.00 0.00 C ATOM 1778 C ASN A 110 0.306 21.784 -1.400 1.00 0.00 C ATOM 1779 O ASN A 110 0.147 22.981 -1.149 1.00 0.00 O ATOM 1780 CB ASN A 110 2.304 21.512 -2.885 1.00 0.00 C ATOM 1781 CG ASN A 110 2.930 20.621 -3.944 1.00 0.00 C ATOM 1782 OD1 ASN A 110 3.388 19.515 -3.651 1.00 0.00 O ATOM 1783 ND2 ASN A 110 2.959 21.093 -5.180 1.00 0.00 N ATOM 0 H ASN A 110 0.689 22.752 -4.314 1.00 0.00 H new ATOM 0 HA ASN A 110 0.552 20.281 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 110 2.528 22.553 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 110 2.760 21.294 -1.919 1.00 0.00 H new ATOM 0 HD21 ASN A 110 3.371 20.536 -5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 110 2.570 22.014 -5.384 1.00 0.00 H new ATOM 1790 N LEU A 111 0.051 20.827 -0.529 1.00 0.00 N ATOM 1791 CA LEU A 111 -0.416 21.124 0.814 1.00 0.00 C ATOM 1792 C LEU A 111 0.745 21.090 1.790 1.00 0.00 C ATOM 1793 O LEU A 111 1.315 20.030 2.059 1.00 0.00 O ATOM 1794 CB LEU A 111 -1.499 20.129 1.226 1.00 0.00 C ATOM 1795 CG LEU A 111 -2.763 20.189 0.372 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -3.671 19.011 0.676 1.00 0.00 C ATOM 1797 CD2 LEU A 111 -3.499 21.499 0.600 1.00 0.00 C ATOM 0 H LEU A 111 0.160 19.832 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.847 22.125 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.088 19.121 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.768 20.312 2.266 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.470 20.135 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.566 19.072 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.145 18.081 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.955 19.033 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.397 21.524 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.778 21.582 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.850 22.332 0.330 1.00 0.00 H new ATOM 1809 N GLU A 112 1.097 22.262 2.299 1.00 0.00 N ATOM 1810 CA GLU A 112 2.243 22.415 3.182 1.00 0.00 C ATOM 1811 C GLU A 112 2.062 21.636 4.479 1.00 0.00 C ATOM 1812 O GLU A 112 1.314 22.044 5.371 1.00 0.00 O ATOM 1813 CB GLU A 112 2.500 23.894 3.505 1.00 0.00 C ATOM 1814 CG GLU A 112 2.670 24.779 2.279 1.00 0.00 C ATOM 1815 CD GLU A 112 1.370 25.415 1.828 1.00 0.00 C ATOM 1816 OE1 GLU A 112 0.426 24.683 1.488 1.00 0.00 O ATOM 1817 OE2 GLU A 112 1.285 26.661 1.823 1.00 0.00 O ATOM 0 H GLU A 112 0.597 23.131 2.112 1.00 0.00 H new ATOM 0 HA GLU A 112 3.105 22.011 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.670 24.274 4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.396 23.970 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 112 3.395 25.562 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 112 3.081 24.185 1.462 1.00 0.00 H new ATOM 1824 N HIS A 113 2.728 20.498 4.558 1.00 0.00 N ATOM 1825 CA HIS A 113 2.804 19.729 5.785 1.00 0.00 C ATOM 1826 C HIS A 113 4.218 19.813 6.328 1.00 0.00 C ATOM 1827 O HIS A 113 5.105 19.086 5.881 1.00 0.00 O ATOM 1828 CB HIS A 113 2.422 18.261 5.551 1.00 0.00 C ATOM 1829 CG HIS A 113 0.953 18.023 5.381 1.00 0.00 C ATOM 1830 ND1 HIS A 113 0.390 16.768 5.434 1.00 0.00 N ATOM 1831 CD2 HIS A 113 -0.072 18.881 5.168 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -0.913 16.863 5.261 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -1.223 18.135 5.099 1.00 0.00 N ATOM 0 H HIS A 113 3.231 20.082 3.774 1.00 0.00 H new ATOM 0 HA HIS A 113 2.097 20.145 6.503 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.941 17.900 4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.779 17.667 6.392 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.002 19.954 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.610 16.038 5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.162 18.503 4.948 1.00 0.00 H new ATOM 1842 N HIS A 114 4.433 20.720 7.266 1.00 0.00 N ATOM 1843 CA HIS A 114 5.764 20.951 7.808 1.00 0.00 C ATOM 1844 C HIS A 114 6.173 19.781 8.691 1.00 0.00 C ATOM 1845 O HIS A 114 7.341 19.410 8.745 1.00 0.00 O ATOM 1846 CB HIS A 114 5.799 22.262 8.602 1.00 0.00 C ATOM 1847 CG HIS A 114 7.178 22.822 8.786 1.00 0.00 C ATOM 1848 ND1 HIS A 114 7.559 24.049 8.285 1.00 0.00 N ATOM 1849 CD2 HIS A 114 8.265 22.330 9.429 1.00 0.00 C ATOM 1850 CE1 HIS A 114 8.817 24.283 8.610 1.00 0.00 C ATOM 1851 NE2 HIS A 114 9.266 23.257 9.302 1.00 0.00 N ATOM 0 H HIS A 114 3.704 21.309 7.669 1.00 0.00 H new ATOM 0 HA HIS A 114 6.472 21.033 6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.182 23.001 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.351 22.095 9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.330 21.384 9.945 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.382 25.166 8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.208 23.167 9.683 1.00 0.00 H new ATOM 1860 N HIS A 115 5.199 19.202 9.379 1.00 0.00 N ATOM 1861 CA HIS A 115 5.439 18.018 10.188 1.00 0.00 C ATOM 1862 C HIS A 115 5.112 16.768 9.388 1.00 0.00 C ATOM 1863 O HIS A 115 3.947 16.467 9.136 1.00 0.00 O ATOM 1864 CB HIS A 115 4.610 18.048 11.475 1.00 0.00 C ATOM 1865 CG HIS A 115 5.184 18.922 12.548 1.00 0.00 C ATOM 1866 ND1 HIS A 115 5.748 18.421 13.701 1.00 0.00 N ATOM 1867 CD2 HIS A 115 5.271 20.268 12.646 1.00 0.00 C ATOM 1868 CE1 HIS A 115 6.155 19.421 14.460 1.00 0.00 C ATOM 1869 NE2 HIS A 115 5.878 20.554 13.843 1.00 0.00 N ATOM 0 H HIS A 115 4.235 19.534 9.392 1.00 0.00 H new ATOM 0 HA HIS A 115 6.493 18.005 10.465 1.00 0.00 H new ATOM 0 HB2 HIS A 115 3.603 18.393 11.239 1.00 0.00 H new ATOM 0 HB3 HIS A 115 4.517 17.032 11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.926 20.986 11.916 1.00 0.00 H new ATOM 0 HE1 HIS A 115 6.634 19.328 15.423 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.082 21.489 14.197 1.00 0.00 H new ATOM 1878 N HIS A 116 6.143 16.058 8.972 1.00 0.00 N ATOM 1879 CA HIS A 116 5.967 14.828 8.215 1.00 0.00 C ATOM 1880 C HIS A 116 5.912 13.638 9.166 1.00 0.00 C ATOM 1881 O HIS A 116 6.795 13.472 10.005 1.00 0.00 O ATOM 1882 CB HIS A 116 7.112 14.649 7.213 1.00 0.00 C ATOM 1883 CG HIS A 116 7.233 15.766 6.221 1.00 0.00 C ATOM 1884 ND1 HIS A 116 7.885 16.950 6.497 1.00 0.00 N ATOM 1885 CD2 HIS A 116 6.787 15.875 4.947 1.00 0.00 C ATOM 1886 CE1 HIS A 116 7.833 17.737 5.440 1.00 0.00 C ATOM 1887 NE2 HIS A 116 7.174 17.108 4.485 1.00 0.00 N ATOM 0 H HIS A 116 7.116 16.311 9.145 1.00 0.00 H new ATOM 0 HA HIS A 116 5.029 14.887 7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 116 8.050 14.560 7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 116 6.967 13.712 6.675 1.00 0.00 H new ATOM 0 HD2 HIS A 116 6.231 15.130 4.397 1.00 0.00 H new ATOM 0 HE1 HIS A 116 8.257 18.728 5.368 1.00 0.00 H new ATOM 0 HE2 HIS A 116 6.983 17.478 3.554 1.00 0.00 H new ATOM 1896 N HIS A 117 4.878 12.821 9.038 1.00 0.00 N ATOM 1897 CA HIS A 117 4.711 11.663 9.911 1.00 0.00 C ATOM 1898 C HIS A 117 5.610 10.516 9.479 1.00 0.00 C ATOM 1899 O HIS A 117 5.625 10.132 8.313 1.00 0.00 O ATOM 1900 CB HIS A 117 3.251 11.198 9.939 1.00 0.00 C ATOM 1901 CG HIS A 117 2.444 11.815 11.040 1.00 0.00 C ATOM 1902 ND1 HIS A 117 1.188 12.356 10.854 1.00 0.00 N ATOM 1903 CD2 HIS A 117 2.711 11.940 12.360 1.00 0.00 C ATOM 1904 CE1 HIS A 117 0.723 12.784 12.013 1.00 0.00 C ATOM 1905 NE2 HIS A 117 1.626 12.542 12.942 1.00 0.00 N ATOM 0 H HIS A 117 4.142 12.935 8.341 1.00 0.00 H new ATOM 0 HA HIS A 117 4.998 11.971 10.916 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.785 11.435 8.982 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.226 10.114 10.046 1.00 0.00 H new ATOM 0 HD1 HIS A 117 0.697 12.416 9.962 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.613 11.624 12.863 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -0.236 13.254 12.173 1.00 0.00 H new ATOM 1914 N HIS A 118 6.373 9.987 10.421 1.00 0.00 N ATOM 1915 CA HIS A 118 7.240 8.844 10.165 1.00 0.00 C ATOM 1916 C HIS A 118 7.276 7.937 11.383 1.00 0.00 C ATOM 1917 O HIS A 118 6.874 6.763 11.265 1.00 0.00 O ATOM 1918 CB HIS A 118 8.664 9.286 9.803 1.00 0.00 C ATOM 1919 CG HIS A 118 8.779 9.925 8.455 1.00 0.00 C ATOM 1920 ND1 HIS A 118 8.658 9.224 7.276 1.00 0.00 N ATOM 1921 CD2 HIS A 118 8.998 11.214 8.102 1.00 0.00 C ATOM 1922 CE1 HIS A 118 8.798 10.049 6.257 1.00 0.00 C ATOM 1923 NE2 HIS A 118 9.007 11.261 6.731 1.00 0.00 N ATOM 1924 OXT HIS A 118 7.671 8.420 12.464 1.00 0.00 O ATOM 0 H HIS A 118 6.411 10.334 11.380 1.00 0.00 H new ATOM 0 HA HIS A 118 6.831 8.299 9.314 1.00 0.00 H new ATOM 0 HB2 HIS A 118 9.018 9.988 10.558 1.00 0.00 H new ATOM 0 HB3 HIS A 118 9.323 8.419 9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 118 9.139 12.048 8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 118 8.750 9.778 5.213 1.00 0.00 H new ATOM 0 HE2 HIS A 118 9.152 12.099 6.169 1.00 0.00 H new TER 1933 HIS A 118