USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 Single : A 1 GLY N :NH3+ -138:sc= 0.0404 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 33:sc= 0.062 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.65 K(o=-1.7,f=-4.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -91:sc= 0.513 USER MOD Single : A 42 GLN : amide:sc= -0.0842 X(o=-0.084,f=-0.19) USER MOD Single : A 47 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.96 X(o=-2,f=-1.6) USER MOD Single : A 69 TYR OH : rot 30:sc= 0.113 USER MOD Single : A 72 CYS SG : rot 100:sc= -3.87! USER MOD Single : A 76 GLN : amide:sc= -2.21 K(o=-2.2,f=-2.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 83 SER OG : rot 180:sc=-0.00114 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 88 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.719 10.901 -20.797 1.00 0.00 N ATOM 2 CA GLY A 1 -19.058 10.445 -19.420 1.00 0.00 C ATOM 3 C GLY A 1 -17.854 9.905 -18.673 1.00 0.00 C ATOM 4 O GLY A 1 -16.714 10.258 -18.981 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.209 11.797 -20.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.692 11.044 -20.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.020 10.181 -21.485 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.485 11.277 -18.860 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.824 9.671 -19.475 1.00 0.00 H new ATOM 10 N SER A 2 -18.104 9.048 -17.689 1.00 0.00 N ATOM 11 CA SER A 2 -17.032 8.459 -16.896 1.00 0.00 C ATOM 12 C SER A 2 -16.360 7.317 -17.651 1.00 0.00 C ATOM 13 O SER A 2 -16.864 6.854 -18.675 1.00 0.00 O ATOM 14 CB SER A 2 -17.577 7.950 -15.561 1.00 0.00 C ATOM 15 OG SER A 2 -17.899 9.028 -14.697 1.00 0.00 O ATOM 0 H SER A 2 -19.041 8.746 -17.422 1.00 0.00 H new ATOM 0 HA SER A 2 -16.288 9.233 -16.706 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.465 7.342 -15.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.838 7.306 -15.084 1.00 0.00 H new ATOM 0 HG SER A 2 -18.247 8.676 -13.851 1.00 0.00 H new ATOM 21 N SER A 3 -15.219 6.867 -17.140 1.00 0.00 N ATOM 22 CA SER A 3 -14.477 5.779 -17.767 1.00 0.00 C ATOM 23 C SER A 3 -13.841 4.877 -16.714 1.00 0.00 C ATOM 24 O SER A 3 -13.192 5.355 -15.784 1.00 0.00 O ATOM 25 CB SER A 3 -13.398 6.338 -18.695 1.00 0.00 C ATOM 26 OG SER A 3 -12.541 7.230 -18.004 1.00 0.00 O ATOM 0 H SER A 3 -14.788 7.239 -16.294 1.00 0.00 H new ATOM 0 HA SER A 3 -15.178 5.185 -18.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.814 5.518 -19.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.867 6.855 -19.532 1.00 0.00 H new ATOM 0 HG SER A 3 -12.443 6.935 -17.074 1.00 0.00 H new ATOM 32 N GLY A 4 -14.032 3.571 -16.867 1.00 0.00 N ATOM 33 CA GLY A 4 -13.472 2.624 -15.922 1.00 0.00 C ATOM 34 C GLY A 4 -14.448 2.251 -14.825 1.00 0.00 C ATOM 35 O GLY A 4 -15.302 3.053 -14.447 1.00 0.00 O ATOM 0 H GLY A 4 -14.565 3.152 -17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.167 1.723 -16.454 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.574 3.050 -15.475 1.00 0.00 H new ATOM 39 N SER A 5 -14.324 1.031 -14.312 1.00 0.00 N ATOM 40 CA SER A 5 -15.203 0.554 -13.252 1.00 0.00 C ATOM 41 C SER A 5 -14.440 -0.326 -12.267 1.00 0.00 C ATOM 42 O SER A 5 -14.543 -0.151 -11.054 1.00 0.00 O ATOM 43 CB SER A 5 -16.377 -0.225 -13.848 1.00 0.00 C ATOM 44 OG SER A 5 -17.502 0.614 -14.038 1.00 0.00 O ATOM 0 H SER A 5 -13.623 0.355 -14.614 1.00 0.00 H new ATOM 0 HA SER A 5 -15.587 1.421 -12.714 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.081 -0.662 -14.801 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.642 -1.050 -13.187 1.00 0.00 H new ATOM 0 HG SER A 5 -18.238 0.093 -14.421 1.00 0.00 H new ATOM 50 N SER A 6 -13.674 -1.274 -12.799 1.00 0.00 N ATOM 51 CA SER A 6 -12.893 -2.182 -11.967 1.00 0.00 C ATOM 52 C SER A 6 -11.892 -1.411 -11.113 1.00 0.00 C ATOM 53 O SER A 6 -11.940 -0.182 -11.038 1.00 0.00 O ATOM 54 CB SER A 6 -12.161 -3.204 -12.841 1.00 0.00 C ATOM 55 OG SER A 6 -12.567 -4.525 -12.528 1.00 0.00 O ATOM 0 H SER A 6 -13.578 -1.433 -13.802 1.00 0.00 H new ATOM 0 HA SER A 6 -13.578 -2.709 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.361 -2.998 -13.892 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.085 -3.107 -12.696 1.00 0.00 H new ATOM 0 HG SER A 6 -12.087 -5.159 -13.101 1.00 0.00 H new ATOM 61 N GLY A 7 -10.985 -2.138 -10.470 1.00 0.00 N ATOM 62 CA GLY A 7 -9.985 -1.506 -9.630 1.00 0.00 C ATOM 63 C GLY A 7 -8.626 -2.165 -9.747 1.00 0.00 C ATOM 64 O GLY A 7 -7.886 -1.914 -10.698 1.00 0.00 O ATOM 0 H GLY A 7 -10.925 -3.155 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.899 -0.454 -9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.314 -1.541 -8.591 1.00 0.00 H new ATOM 68 N ALA A 8 -8.295 -3.012 -8.777 1.00 0.00 N ATOM 69 CA ALA A 8 -7.014 -3.709 -8.775 1.00 0.00 C ATOM 70 C ALA A 8 -7.184 -5.169 -9.181 1.00 0.00 C ATOM 71 O ALA A 8 -8.255 -5.579 -9.629 1.00 0.00 O ATOM 72 CB ALA A 8 -6.365 -3.614 -7.403 1.00 0.00 C ATOM 0 H ALA A 8 -8.896 -3.232 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.365 -3.228 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.410 -4.138 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.201 -2.567 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.019 -4.069 -6.659 1.00 0.00 H new ATOM 78 N ALA A 9 -6.120 -5.950 -9.023 1.00 0.00 N ATOM 79 CA ALA A 9 -6.150 -7.365 -9.374 1.00 0.00 C ATOM 80 C ALA A 9 -4.824 -8.043 -9.042 1.00 0.00 C ATOM 81 O ALA A 9 -4.798 -9.184 -8.582 1.00 0.00 O ATOM 82 CB ALA A 9 -6.477 -7.537 -10.850 1.00 0.00 C ATOM 0 H ALA A 9 -5.226 -5.626 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.931 -7.843 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.496 -8.598 -11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.452 -7.098 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.717 -7.038 -11.452 1.00 0.00 H new ATOM 88 N GLU A 10 -3.726 -7.333 -9.281 1.00 0.00 N ATOM 89 CA GLU A 10 -2.395 -7.866 -9.010 1.00 0.00 C ATOM 90 C GLU A 10 -2.272 -8.322 -7.559 1.00 0.00 C ATOM 91 O GLU A 10 -2.962 -7.812 -6.676 1.00 0.00 O ATOM 92 CB GLU A 10 -1.329 -6.810 -9.315 1.00 0.00 C ATOM 93 CG GLU A 10 0.068 -7.387 -9.483 1.00 0.00 C ATOM 94 CD GLU A 10 0.728 -6.952 -10.777 1.00 0.00 C ATOM 95 OE1 GLU A 10 0.135 -7.183 -11.852 1.00 0.00 O ATOM 96 OE2 GLU A 10 1.837 -6.382 -10.714 1.00 0.00 O ATOM 0 H GLU A 10 -3.731 -6.387 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.240 -8.730 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.606 -6.279 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.316 -6.076 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.688 -7.078 -8.642 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.013 -8.475 -9.456 1.00 0.00 H new ATOM 103 N VAL A 11 -1.387 -9.286 -7.321 1.00 0.00 N ATOM 104 CA VAL A 11 -1.173 -9.811 -5.978 1.00 0.00 C ATOM 105 C VAL A 11 -0.184 -8.949 -5.202 1.00 0.00 C ATOM 106 O VAL A 11 0.313 -7.945 -5.712 1.00 0.00 O ATOM 107 CB VAL A 11 -0.652 -11.260 -6.019 1.00 0.00 C ATOM 108 CG1 VAL A 11 -1.700 -12.190 -6.611 1.00 0.00 C ATOM 109 CG2 VAL A 11 0.647 -11.338 -6.807 1.00 0.00 C ATOM 0 H VAL A 11 -0.808 -9.718 -8.041 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.139 -9.794 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.451 -11.583 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.313 -13.209 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.602 -12.157 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.937 -11.872 -7.626 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.000 -12.369 -6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.475 -10.995 -7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.398 -10.706 -6.334 1.00 0.00 H new ATOM 119 N GLY A 12 0.097 -9.348 -3.965 1.00 0.00 N ATOM 120 CA GLY A 12 1.026 -8.599 -3.139 1.00 0.00 C ATOM 121 C GLY A 12 2.371 -9.287 -3.009 1.00 0.00 C ATOM 122 O GLY A 12 2.628 -10.292 -3.671 1.00 0.00 O ATOM 0 H GLY A 12 -0.301 -10.175 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.169 -7.607 -3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.595 -8.460 -2.147 1.00 0.00 H new ATOM 126 N ASP A 13 3.231 -8.743 -2.155 1.00 0.00 N ATOM 127 CA ASP A 13 4.558 -9.310 -1.942 1.00 0.00 C ATOM 128 C ASP A 13 4.563 -10.245 -0.736 1.00 0.00 C ATOM 129 O ASP A 13 3.651 -10.213 0.090 1.00 0.00 O ATOM 130 CB ASP A 13 5.586 -8.194 -1.741 1.00 0.00 C ATOM 131 CG ASP A 13 6.991 -8.629 -2.110 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.205 -9.016 -3.278 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.877 -8.584 -1.230 1.00 0.00 O ATOM 0 H ASP A 13 3.033 -7.911 -1.599 1.00 0.00 H new ATOM 0 HA ASP A 13 4.826 -9.887 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.305 -7.332 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.570 -7.872 -0.700 1.00 0.00 H new ATOM 138 N ASP A 14 5.596 -11.076 -0.643 1.00 0.00 N ATOM 139 CA ASP A 14 5.720 -12.020 0.462 1.00 0.00 C ATOM 140 C ASP A 14 6.661 -11.482 1.534 1.00 0.00 C ATOM 141 O ASP A 14 7.354 -12.246 2.206 1.00 0.00 O ATOM 142 CB ASP A 14 6.226 -13.370 -0.047 1.00 0.00 C ATOM 143 CG ASP A 14 7.474 -13.235 -0.897 1.00 0.00 C ATOM 144 OD1 ASP A 14 8.223 -12.256 -0.701 1.00 0.00 O ATOM 145 OD2 ASP A 14 7.703 -14.109 -1.760 1.00 0.00 O ATOM 0 H ASP A 14 6.359 -11.115 -1.319 1.00 0.00 H new ATOM 0 HA ASP A 14 4.733 -12.154 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.436 -14.020 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.442 -13.852 -0.631 1.00 0.00 H new ATOM 150 N PHE A 15 6.683 -10.162 1.688 1.00 0.00 N ATOM 151 CA PHE A 15 7.541 -9.522 2.678 1.00 0.00 C ATOM 152 C PHE A 15 6.951 -8.189 3.129 1.00 0.00 C ATOM 153 O PHE A 15 6.718 -7.295 2.315 1.00 0.00 O ATOM 154 CB PHE A 15 8.942 -9.305 2.106 1.00 0.00 C ATOM 155 CG PHE A 15 10.018 -9.253 3.153 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.143 -8.150 3.982 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.903 -10.308 3.307 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.131 -8.100 4.946 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.894 -10.263 4.270 1.00 0.00 C ATOM 160 CZ PHE A 15 12.008 -9.158 5.090 1.00 0.00 C ATOM 0 H PHE A 15 6.116 -9.515 1.140 1.00 0.00 H new ATOM 0 HA PHE A 15 7.608 -10.181 3.544 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.168 -10.109 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.954 -8.374 1.539 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.460 -7.320 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.818 -11.175 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.218 -7.235 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.578 -11.091 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.781 -9.121 5.843 1.00 0.00 H new ATOM 170 N LEU A 16 6.715 -8.063 4.431 1.00 0.00 N ATOM 171 CA LEU A 16 6.154 -6.838 4.990 1.00 0.00 C ATOM 172 C LEU A 16 7.227 -5.762 5.128 1.00 0.00 C ATOM 173 O LEU A 16 8.376 -6.056 5.457 1.00 0.00 O ATOM 174 CB LEU A 16 5.514 -7.121 6.352 1.00 0.00 C ATOM 175 CG LEU A 16 3.998 -6.926 6.408 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.400 -7.725 7.555 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.657 -5.450 6.548 1.00 0.00 C ATOM 0 H LEU A 16 6.903 -8.793 5.118 1.00 0.00 H new ATOM 0 HA LEU A 16 5.387 -6.472 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.744 -8.147 6.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.976 -6.472 7.096 1.00 0.00 H new ATOM 0 HG LEU A 16 3.568 -7.291 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.321 -7.574 7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.615 -8.784 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.835 -7.390 8.497 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.574 -5.329 6.586 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.099 -5.060 7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.053 -4.902 5.693 1.00 0.00 H new ATOM 189 N GLY A 17 6.845 -4.515 4.873 1.00 0.00 N ATOM 190 CA GLY A 17 7.786 -3.416 4.974 1.00 0.00 C ATOM 191 C GLY A 17 7.899 -2.876 6.386 1.00 0.00 C ATOM 192 O GLY A 17 6.968 -2.999 7.181 1.00 0.00 O ATOM 0 H GLY A 17 5.900 -4.246 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.767 -3.750 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.475 -2.613 4.305 1.00 0.00 H new ATOM 196 N ASP A 18 9.043 -2.276 6.698 1.00 0.00 N ATOM 197 CA ASP A 18 9.275 -1.715 8.024 1.00 0.00 C ATOM 198 C ASP A 18 8.605 -0.351 8.163 1.00 0.00 C ATOM 199 O ASP A 18 9.270 0.662 8.383 1.00 0.00 O ATOM 200 CB ASP A 18 10.777 -1.591 8.292 1.00 0.00 C ATOM 201 CG ASP A 18 11.131 -1.867 9.739 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.646 -1.127 10.620 1.00 0.00 O ATOM 203 OD2 ASP A 18 11.894 -2.823 9.992 1.00 0.00 O ATOM 0 H ASP A 18 9.824 -2.166 6.051 1.00 0.00 H new ATOM 0 HA ASP A 18 8.837 -2.390 8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.316 -2.287 7.650 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.109 -0.588 8.025 1.00 0.00 H new ATOM 208 N PHE A 19 7.282 -0.333 8.033 1.00 0.00 N ATOM 209 CA PHE A 19 6.519 0.905 8.145 1.00 0.00 C ATOM 210 C PHE A 19 5.483 0.806 9.259 1.00 0.00 C ATOM 211 O PHE A 19 5.284 -0.259 9.842 1.00 0.00 O ATOM 212 CB PHE A 19 5.830 1.226 6.818 1.00 0.00 C ATOM 213 CG PHE A 19 6.752 1.168 5.633 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.494 2.277 5.261 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.876 0.004 4.891 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.344 2.226 4.172 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.723 -0.053 3.801 1.00 0.00 C ATOM 218 CZ PHE A 19 8.458 1.060 3.441 1.00 0.00 C ATOM 0 H PHE A 19 6.716 -1.162 7.850 1.00 0.00 H new ATOM 0 HA PHE A 19 7.213 1.709 8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.010 0.524 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.391 2.222 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.407 3.192 5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.304 -0.869 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.918 3.097 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.810 -0.966 3.231 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.121 1.018 2.589 1.00 0.00 H new ATOM 228 N VAL A 20 4.824 1.923 9.549 1.00 0.00 N ATOM 229 CA VAL A 20 3.808 1.962 10.593 1.00 0.00 C ATOM 230 C VAL A 20 2.539 2.649 10.099 1.00 0.00 C ATOM 231 O VAL A 20 2.482 3.129 8.967 1.00 0.00 O ATOM 232 CB VAL A 20 4.318 2.694 11.848 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.459 1.920 12.491 1.00 0.00 C ATOM 234 CG2 VAL A 20 4.753 4.110 11.501 1.00 0.00 C ATOM 0 H VAL A 20 4.976 2.813 9.075 1.00 0.00 H new ATOM 0 HA VAL A 20 3.582 0.928 10.852 1.00 0.00 H new ATOM 0 HB VAL A 20 3.501 2.756 12.567 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.806 2.453 13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.110 0.928 12.778 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.280 1.824 11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.110 4.612 12.400 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.554 4.074 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.906 4.660 11.091 1.00 0.00 H new ATOM 244 N VAL A 21 1.525 2.693 10.956 1.00 0.00 N ATOM 245 CA VAL A 21 0.257 3.322 10.608 1.00 0.00 C ATOM 246 C VAL A 21 0.198 4.759 11.115 1.00 0.00 C ATOM 247 O VAL A 21 0.164 5.001 12.321 1.00 0.00 O ATOM 248 CB VAL A 21 -0.936 2.538 11.183 1.00 0.00 C ATOM 249 CG1 VAL A 21 -2.248 3.090 10.647 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.804 1.056 10.868 1.00 0.00 C ATOM 0 H VAL A 21 1.557 2.300 11.897 1.00 0.00 H new ATOM 0 HA VAL A 21 0.192 3.320 9.520 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.935 2.657 12.267 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.079 2.522 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.345 4.138 10.931 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.261 3.006 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.657 0.519 11.283 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.777 0.915 9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.116 0.671 11.308 1.00 0.00 H new ATOM 260 N GLY A 22 0.189 5.710 10.186 1.00 0.00 N ATOM 261 CA GLY A 22 0.136 7.111 10.559 1.00 0.00 C ATOM 262 C GLY A 22 1.256 7.920 9.934 1.00 0.00 C ATOM 263 O GLY A 22 1.110 9.122 9.708 1.00 0.00 O ATOM 0 H GLY A 22 0.217 5.535 9.182 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.824 7.529 10.255 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.191 7.197 11.644 1.00 0.00 H new ATOM 267 N GLU A 23 2.375 7.261 9.653 1.00 0.00 N ATOM 268 CA GLU A 23 3.523 7.928 9.050 1.00 0.00 C ATOM 269 C GLU A 23 3.269 8.222 7.574 1.00 0.00 C ATOM 270 O GLU A 23 2.221 7.873 7.034 1.00 0.00 O ATOM 271 CB GLU A 23 4.777 7.066 9.202 1.00 0.00 C ATOM 272 CG GLU A 23 4.689 5.732 8.479 1.00 0.00 C ATOM 273 CD GLU A 23 6.037 5.049 8.351 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.919 5.311 9.197 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.212 4.253 7.404 1.00 0.00 O ATOM 0 H GLU A 23 2.511 6.266 9.833 1.00 0.00 H new ATOM 0 HA GLU A 23 3.676 8.874 9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.636 7.619 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.957 6.884 10.262 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.003 5.077 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.269 5.888 7.485 1.00 0.00 H new ATOM 282 N ARG A 24 4.237 8.865 6.930 1.00 0.00 N ATOM 283 CA ARG A 24 4.117 9.206 5.517 1.00 0.00 C ATOM 284 C ARG A 24 5.059 8.354 4.671 1.00 0.00 C ATOM 285 O ARG A 24 6.244 8.233 4.975 1.00 0.00 O ATOM 286 CB ARG A 24 4.421 10.690 5.301 1.00 0.00 C ATOM 287 CG ARG A 24 3.448 11.619 6.008 1.00 0.00 C ATOM 288 CD ARG A 24 2.188 11.837 5.186 1.00 0.00 C ATOM 289 NE ARG A 24 2.274 13.039 4.360 1.00 0.00 N ATOM 290 CZ ARG A 24 1.220 13.640 3.815 1.00 0.00 C ATOM 291 NH1 ARG A 24 -0.001 13.158 4.006 1.00 0.00 N ATOM 292 NH2 ARG A 24 1.386 14.729 3.077 1.00 0.00 N ATOM 0 H ARG A 24 5.112 9.160 7.363 1.00 0.00 H new ATOM 0 HA ARG A 24 3.092 9.003 5.205 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.431 10.900 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.404 10.904 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.182 11.199 6.978 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.931 12.578 6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.017 10.970 4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.329 11.916 5.853 1.00 0.00 H new ATOM 0 HE ARG A 24 3.196 13.441 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.136 12.321 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.805 13.624 3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.322 15.106 2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.578 15.190 2.659 1.00 0.00 H new ATOM 306 N VAL A 25 4.521 7.766 3.607 1.00 0.00 N ATOM 307 CA VAL A 25 5.312 6.926 2.717 1.00 0.00 C ATOM 308 C VAL A 25 5.033 7.256 1.255 1.00 0.00 C ATOM 309 O VAL A 25 3.888 7.497 0.870 1.00 0.00 O ATOM 310 CB VAL A 25 5.030 5.431 2.956 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.488 5.016 4.345 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.551 5.130 2.763 1.00 0.00 C ATOM 0 H VAL A 25 3.540 7.856 3.341 1.00 0.00 H new ATOM 0 HA VAL A 25 6.359 7.131 2.939 1.00 0.00 H new ATOM 0 HB VAL A 25 5.594 4.852 2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.280 3.957 4.495 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.559 5.193 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.953 5.600 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.370 4.069 2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.965 5.718 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.257 5.387 1.745 1.00 0.00 H new ATOM 322 N TRP A 26 6.086 7.267 0.444 1.00 0.00 N ATOM 323 CA TRP A 26 5.954 7.568 -0.977 1.00 0.00 C ATOM 324 C TRP A 26 5.535 6.329 -1.760 1.00 0.00 C ATOM 325 O TRP A 26 6.315 5.390 -1.923 1.00 0.00 O ATOM 326 CB TRP A 26 7.275 8.110 -1.528 1.00 0.00 C ATOM 327 CG TRP A 26 7.434 9.588 -1.343 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.462 10.539 -2.323 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.590 10.286 -0.103 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.626 11.784 -1.768 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.706 11.656 -0.405 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.641 9.886 1.237 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.871 12.627 0.581 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.805 10.849 2.214 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.918 12.205 1.882 1.00 0.00 C ATOM 0 H TRP A 26 7.040 7.071 0.747 1.00 0.00 H new ATOM 0 HA TRP A 26 5.180 8.327 -1.092 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.103 7.599 -1.036 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.341 7.875 -2.590 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.369 10.341 -3.380 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.680 12.661 -2.285 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.554 8.843 1.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.958 13.673 0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.847 10.551 3.251 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.045 12.933 2.670 1.00 0.00 H new ATOM 346 N VAL A 27 4.297 6.331 -2.245 1.00 0.00 N ATOM 347 CA VAL A 27 3.774 5.208 -3.012 1.00 0.00 C ATOM 348 C VAL A 27 4.339 5.200 -4.428 1.00 0.00 C ATOM 349 O VAL A 27 4.050 6.091 -5.227 1.00 0.00 O ATOM 350 CB VAL A 27 2.236 5.243 -3.086 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.701 3.965 -3.713 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.640 5.457 -1.702 1.00 0.00 C ATOM 0 H VAL A 27 3.638 7.099 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 27 4.084 4.301 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 27 1.940 6.080 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.613 4.009 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.100 3.860 -4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.006 3.109 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.553 5.479 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.944 4.642 -1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.996 6.403 -1.295 1.00 0.00 H new ATOM 362 N ASN A 28 5.145 4.189 -4.733 1.00 0.00 N ATOM 363 CA ASN A 28 5.751 4.066 -6.054 1.00 0.00 C ATOM 364 C ASN A 28 6.624 5.277 -6.369 1.00 0.00 C ATOM 365 O ASN A 28 6.787 5.651 -7.531 1.00 0.00 O ATOM 366 CB ASN A 28 4.666 3.908 -7.123 1.00 0.00 C ATOM 367 CG ASN A 28 4.469 2.463 -7.536 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.015 1.635 -6.746 1.00 0.00 O ATOM 369 ND2 ASN A 28 4.808 2.153 -8.783 1.00 0.00 N ATOM 0 H ASN A 28 5.394 3.443 -4.084 1.00 0.00 H new ATOM 0 HA ASN A 28 6.383 3.178 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.725 4.306 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.933 4.500 -7.998 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.696 1.197 -9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.181 2.871 -9.404 1.00 0.00 H new ATOM 376 N GLY A 29 7.182 5.886 -5.328 1.00 0.00 N ATOM 377 CA GLY A 29 8.030 7.049 -5.516 1.00 0.00 C ATOM 378 C GLY A 29 7.318 8.180 -6.233 1.00 0.00 C ATOM 379 O GLY A 29 7.949 8.985 -6.917 1.00 0.00 O ATOM 0 H GLY A 29 7.062 5.595 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.378 7.401 -4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.914 6.762 -6.086 1.00 0.00 H new ATOM 383 N VAL A 30 5.999 8.240 -6.075 1.00 0.00 N ATOM 384 CA VAL A 30 5.201 9.279 -6.712 1.00 0.00 C ATOM 385 C VAL A 30 4.851 10.387 -5.725 1.00 0.00 C ATOM 386 O VAL A 30 5.283 11.530 -5.880 1.00 0.00 O ATOM 387 CB VAL A 30 3.899 8.706 -7.303 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.179 9.757 -8.133 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.191 7.467 -8.136 1.00 0.00 C ATOM 0 H VAL A 30 5.462 7.581 -5.511 1.00 0.00 H new ATOM 0 HA VAL A 30 5.807 9.691 -7.518 1.00 0.00 H new ATOM 0 HB VAL A 30 3.245 8.418 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.262 9.332 -8.542 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.934 10.612 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.824 10.081 -8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.260 7.076 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.865 7.728 -8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.658 6.708 -7.508 1.00 0.00 H new ATOM 399 N LYS A 31 4.067 10.042 -4.710 1.00 0.00 N ATOM 400 CA LYS A 31 3.660 11.007 -3.695 1.00 0.00 C ATOM 401 C LYS A 31 3.491 10.331 -2.336 1.00 0.00 C ATOM 402 O LYS A 31 3.166 9.147 -2.259 1.00 0.00 O ATOM 403 CB LYS A 31 2.351 11.687 -4.105 1.00 0.00 C ATOM 404 CG LYS A 31 2.504 12.644 -5.275 1.00 0.00 C ATOM 405 CD LYS A 31 1.159 12.975 -5.903 1.00 0.00 C ATOM 406 CE LYS A 31 0.256 13.716 -4.931 1.00 0.00 C ATOM 407 NZ LYS A 31 0.156 15.165 -5.260 1.00 0.00 N ATOM 0 H LYS A 31 3.700 9.101 -4.568 1.00 0.00 H new ATOM 0 HA LYS A 31 4.443 11.760 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.620 10.922 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.951 12.232 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.984 13.562 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.158 12.201 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.313 13.584 -6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.671 12.055 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.739 13.270 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.640 13.600 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.469 15.634 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.101 15.596 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.235 15.277 -6.217 1.00 0.00 H new ATOM 421 N PRO A 32 3.712 11.080 -1.242 1.00 0.00 N ATOM 422 CA PRO A 32 3.583 10.546 0.118 1.00 0.00 C ATOM 423 C PRO A 32 2.132 10.267 0.494 1.00 0.00 C ATOM 424 O PRO A 32 1.208 10.823 -0.099 1.00 0.00 O ATOM 425 CB PRO A 32 4.157 11.662 0.994 1.00 0.00 C ATOM 426 CG PRO A 32 3.960 12.906 0.198 1.00 0.00 C ATOM 427 CD PRO A 32 4.104 12.502 -1.244 1.00 0.00 C ATOM 0 HA PRO A 32 4.096 9.591 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.640 11.719 1.952 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.212 11.493 1.210 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.977 13.338 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.697 13.662 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.460 13.095 -1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.126 12.637 -1.599 1.00 0.00 H new ATOM 435 N GLY A 33 1.939 9.400 1.484 1.00 0.00 N ATOM 436 CA GLY A 33 0.598 9.062 1.921 1.00 0.00 C ATOM 437 C GLY A 33 0.563 8.564 3.352 1.00 0.00 C ATOM 438 O GLY A 33 1.565 8.069 3.869 1.00 0.00 O ATOM 0 H GLY A 33 2.687 8.926 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.043 9.939 1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.187 8.296 1.263 1.00 0.00 H new ATOM 442 N VAL A 34 -0.594 8.695 3.994 1.00 0.00 N ATOM 443 CA VAL A 34 -0.755 8.254 5.374 1.00 0.00 C ATOM 444 C VAL A 34 -1.199 6.797 5.437 1.00 0.00 C ATOM 445 O VAL A 34 -2.320 6.462 5.054 1.00 0.00 O ATOM 446 CB VAL A 34 -1.781 9.123 6.125 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.789 8.780 7.607 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.486 10.600 5.914 1.00 0.00 C ATOM 0 H VAL A 34 -1.433 9.103 3.581 1.00 0.00 H new ATOM 0 HA VAL A 34 0.218 8.356 5.854 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.772 8.913 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.520 9.404 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.053 7.730 7.736 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.799 8.959 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.221 11.198 6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.488 10.829 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.537 10.833 4.850 1.00 0.00 H new ATOM 458 N VAL A 35 -0.313 5.933 5.923 1.00 0.00 N ATOM 459 CA VAL A 35 -0.613 4.512 6.036 1.00 0.00 C ATOM 460 C VAL A 35 -1.713 4.261 7.063 1.00 0.00 C ATOM 461 O VAL A 35 -1.664 4.782 8.178 1.00 0.00 O ATOM 462 CB VAL A 35 0.637 3.703 6.432 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.356 2.211 6.355 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.817 4.079 5.549 1.00 0.00 C ATOM 0 H VAL A 35 0.619 6.194 6.245 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.954 4.183 5.054 1.00 0.00 H new ATOM 0 HB VAL A 35 0.893 3.946 7.463 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.251 1.657 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.458 1.958 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.073 1.946 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.691 3.498 5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.574 3.868 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.033 5.141 5.663 1.00 0.00 H new ATOM 474 N GLN A 36 -2.703 3.462 6.680 1.00 0.00 N ATOM 475 CA GLN A 36 -3.815 3.143 7.568 1.00 0.00 C ATOM 476 C GLN A 36 -3.861 1.648 7.866 1.00 0.00 C ATOM 477 O GLN A 36 -4.105 1.238 9.001 1.00 0.00 O ATOM 478 CB GLN A 36 -5.139 3.591 6.944 1.00 0.00 C ATOM 479 CG GLN A 36 -5.583 4.976 7.386 1.00 0.00 C ATOM 480 CD GLN A 36 -6.066 5.001 8.824 1.00 0.00 C ATOM 481 OE1 GLN A 36 -7.253 4.820 9.094 1.00 0.00 O ATOM 482 NE2 GLN A 36 -5.146 5.225 9.755 1.00 0.00 N ATOM 0 H GLN A 36 -2.758 3.023 5.761 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.664 3.678 8.505 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.042 3.579 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.915 2.870 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.753 5.673 7.273 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.382 5.324 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.173 5.370 9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.412 5.252 10.739 1.00 0.00 H new ATOM 491 N TYR A 37 -3.624 0.837 6.840 1.00 0.00 N ATOM 492 CA TYR A 37 -3.637 -0.613 6.991 1.00 0.00 C ATOM 493 C TYR A 37 -2.315 -1.221 6.536 1.00 0.00 C ATOM 494 O TYR A 37 -1.696 -0.741 5.586 1.00 0.00 O ATOM 495 CB TYR A 37 -4.792 -1.220 6.193 1.00 0.00 C ATOM 496 CG TYR A 37 -5.242 -2.569 6.708 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.109 -2.666 7.789 1.00 0.00 C ATOM 498 CD2 TYR A 37 -4.801 -3.743 6.112 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.521 -3.897 8.264 1.00 0.00 C ATOM 500 CE2 TYR A 37 -5.210 -4.978 6.580 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.070 -5.049 7.655 1.00 0.00 C ATOM 502 OH TYR A 37 -6.478 -6.277 8.124 1.00 0.00 O ATOM 0 H TYR A 37 -3.420 1.160 5.894 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.775 -0.841 8.048 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.637 -0.532 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.489 -1.321 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.467 -1.765 8.266 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.128 -3.691 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.193 -3.956 9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.858 -5.882 6.106 1.00 0.00 H new ATOM 0 HH TYR A 37 -6.070 -6.986 7.584 1.00 0.00 H new ATOM 512 N LEU A 38 -1.888 -2.277 7.218 1.00 0.00 N ATOM 513 CA LEU A 38 -0.639 -2.949 6.884 1.00 0.00 C ATOM 514 C LEU A 38 -0.743 -4.450 7.137 1.00 0.00 C ATOM 515 O LEU A 38 -0.624 -4.907 8.273 1.00 0.00 O ATOM 516 CB LEU A 38 0.515 -2.362 7.699 1.00 0.00 C ATOM 517 CG LEU A 38 1.066 -1.034 7.175 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.458 -0.125 8.330 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.256 -1.277 6.258 1.00 0.00 C ATOM 0 H LEU A 38 -2.389 -2.686 8.006 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.443 -2.790 5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.179 -2.219 8.726 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.327 -3.089 7.728 1.00 0.00 H new ATOM 0 HG LEU A 38 0.283 -0.539 6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.848 0.814 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.583 0.075 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.225 -0.612 8.932 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.636 -0.322 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.041 -1.793 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.944 -1.890 5.412 1.00 0.00 H new ATOM 531 N GLY A 39 -0.967 -5.211 6.071 1.00 0.00 N ATOM 532 CA GLY A 39 -1.084 -6.652 6.199 1.00 0.00 C ATOM 533 C GLY A 39 -1.741 -7.290 4.991 1.00 0.00 C ATOM 534 O GLY A 39 -1.887 -6.654 3.947 1.00 0.00 O ATOM 0 H GLY A 39 -1.070 -4.856 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.093 -7.083 6.339 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.664 -6.889 7.091 1.00 0.00 H new ATOM 538 N GLU A 40 -2.137 -8.551 5.132 1.00 0.00 N ATOM 539 CA GLU A 40 -2.782 -9.276 4.043 1.00 0.00 C ATOM 540 C GLU A 40 -4.116 -8.635 3.677 1.00 0.00 C ATOM 541 O GLU A 40 -4.694 -7.886 4.464 1.00 0.00 O ATOM 542 CB GLU A 40 -2.997 -10.740 4.435 1.00 0.00 C ATOM 543 CG GLU A 40 -1.712 -11.472 4.784 1.00 0.00 C ATOM 544 CD GLU A 40 -1.953 -12.691 5.652 1.00 0.00 C ATOM 545 OE1 GLU A 40 -3.095 -13.199 5.659 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.001 -13.139 6.324 1.00 0.00 O ATOM 0 H GLU A 40 -2.023 -9.092 5.989 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.128 -9.232 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.673 -10.783 5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.489 -11.259 3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.211 -11.778 3.865 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.038 -10.789 5.302 1.00 0.00 H new ATOM 553 N THR A 41 -4.600 -8.934 2.475 1.00 0.00 N ATOM 554 CA THR A 41 -5.867 -8.388 2.004 1.00 0.00 C ATOM 555 C THR A 41 -6.830 -9.505 1.614 1.00 0.00 C ATOM 556 O THR A 41 -6.498 -10.685 1.712 1.00 0.00 O ATOM 557 CB THR A 41 -5.634 -7.460 0.810 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.761 -8.061 -0.130 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.042 -6.123 1.198 1.00 0.00 C ATOM 0 H THR A 41 -4.134 -9.551 1.810 1.00 0.00 H new ATOM 0 HA THR A 41 -6.313 -7.817 2.818 1.00 0.00 H new ATOM 0 HB THR A 41 -6.621 -7.290 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.836 -7.816 0.079 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.902 -5.514 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.717 -5.612 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.079 -6.279 1.685 1.00 0.00 H new ATOM 567 N GLN A 42 -8.024 -9.123 1.172 1.00 0.00 N ATOM 568 CA GLN A 42 -9.035 -10.093 0.769 1.00 0.00 C ATOM 569 C GLN A 42 -9.173 -10.136 -0.749 1.00 0.00 C ATOM 570 O GLN A 42 -9.474 -11.182 -1.326 1.00 0.00 O ATOM 571 CB GLN A 42 -10.383 -9.750 1.405 1.00 0.00 C ATOM 572 CG GLN A 42 -10.373 -9.815 2.924 1.00 0.00 C ATOM 573 CD GLN A 42 -10.085 -11.209 3.446 1.00 0.00 C ATOM 574 OE1 GLN A 42 -10.673 -12.189 2.988 1.00 0.00 O ATOM 575 NE2 GLN A 42 -9.176 -11.305 4.408 1.00 0.00 N ATOM 0 H GLN A 42 -8.315 -8.149 1.084 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.717 -11.076 1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.677 -8.747 1.094 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.140 -10.436 1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.622 -9.125 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.338 -9.481 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.713 -10.466 4.758 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.940 -12.218 4.798 1.00 0.00 H new ATOM 584 N PHE A 43 -8.951 -8.994 -1.392 1.00 0.00 N ATOM 585 CA PHE A 43 -9.052 -8.904 -2.844 1.00 0.00 C ATOM 586 C PHE A 43 -7.919 -9.673 -3.517 1.00 0.00 C ATOM 587 O PHE A 43 -8.087 -10.216 -4.609 1.00 0.00 O ATOM 588 CB PHE A 43 -9.028 -7.438 -3.289 1.00 0.00 C ATOM 589 CG PHE A 43 -7.715 -6.752 -3.035 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.704 -6.792 -3.982 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.493 -6.066 -1.851 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.495 -6.161 -3.752 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.287 -5.432 -1.617 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.287 -5.480 -2.569 1.00 0.00 C ATOM 0 H PHE A 43 -8.700 -8.119 -0.931 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.999 -9.351 -3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.255 -7.387 -4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.818 -6.896 -2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.862 -7.322 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.271 -6.026 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.714 -6.201 -4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.127 -4.900 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.344 -4.986 -2.388 1.00 0.00 H new ATOM 604 N ALA A 44 -6.766 -9.717 -2.858 1.00 0.00 N ATOM 605 CA ALA A 44 -5.607 -10.419 -3.391 1.00 0.00 C ATOM 606 C ALA A 44 -4.704 -10.924 -2.267 1.00 0.00 C ATOM 607 O ALA A 44 -4.620 -10.308 -1.204 1.00 0.00 O ATOM 608 CB ALA A 44 -4.826 -9.511 -4.329 1.00 0.00 C ATOM 0 H ALA A 44 -6.610 -9.274 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.963 -11.283 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.962 -10.049 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.467 -9.204 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.488 -8.629 -3.784 1.00 0.00 H new ATOM 614 N PRO A 45 -4.014 -12.056 -2.488 1.00 0.00 N ATOM 615 CA PRO A 45 -3.116 -12.641 -1.488 1.00 0.00 C ATOM 616 C PRO A 45 -1.850 -11.813 -1.291 1.00 0.00 C ATOM 617 O PRO A 45 -1.744 -10.695 -1.795 1.00 0.00 O ATOM 618 CB PRO A 45 -2.772 -14.011 -2.078 1.00 0.00 C ATOM 619 CG PRO A 45 -2.936 -13.841 -3.548 1.00 0.00 C ATOM 620 CD PRO A 45 -4.057 -12.854 -3.728 1.00 0.00 C ATOM 0 HA PRO A 45 -3.580 -12.690 -0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.754 -14.307 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.435 -14.786 -1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.016 -13.474 -4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.172 -14.791 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.907 -12.233 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.017 -13.355 -3.850 1.00 0.00 H new ATOM 628 N GLY A 46 -0.894 -12.370 -0.555 1.00 0.00 N ATOM 629 CA GLY A 46 0.351 -11.668 -0.304 1.00 0.00 C ATOM 630 C GLY A 46 0.179 -10.499 0.645 1.00 0.00 C ATOM 631 O GLY A 46 -0.943 -10.074 0.918 1.00 0.00 O ATOM 0 H GLY A 46 -0.959 -13.294 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.079 -12.364 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.758 -11.308 -1.249 1.00 0.00 H new ATOM 635 N GLN A 47 1.293 -9.978 1.147 1.00 0.00 N ATOM 636 CA GLN A 47 1.261 -8.851 2.073 1.00 0.00 C ATOM 637 C GLN A 47 0.890 -7.562 1.347 1.00 0.00 C ATOM 638 O GLN A 47 1.283 -7.347 0.200 1.00 0.00 O ATOM 639 CB GLN A 47 2.617 -8.690 2.761 1.00 0.00 C ATOM 640 CG GLN A 47 2.986 -9.859 3.659 1.00 0.00 C ATOM 641 CD GLN A 47 2.050 -10.002 4.843 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.242 -9.116 5.122 1.00 0.00 O ATOM 643 NE2 GLN A 47 2.154 -11.122 5.548 1.00 0.00 N ATOM 0 H GLN A 47 2.230 -10.318 0.929 1.00 0.00 H new ATOM 0 HA GLN A 47 0.501 -9.054 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.389 -8.569 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.608 -7.776 3.354 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.971 -10.780 3.075 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.006 -9.727 4.020 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.838 -11.831 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.550 -11.274 6.356 1.00 0.00 H new ATOM 652 N TRP A 48 0.129 -6.706 2.022 1.00 0.00 N ATOM 653 CA TRP A 48 -0.297 -5.438 1.443 1.00 0.00 C ATOM 654 C TRP A 48 -0.139 -4.300 2.447 1.00 0.00 C ATOM 655 O TRP A 48 0.237 -4.523 3.597 1.00 0.00 O ATOM 656 CB TRP A 48 -1.753 -5.528 0.981 1.00 0.00 C ATOM 657 CG TRP A 48 -1.909 -6.134 -0.379 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.982 -7.463 -0.676 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.010 -5.436 -1.625 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.122 -7.637 -2.031 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.142 -6.406 -2.635 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.003 -4.086 -1.984 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.266 -6.069 -3.981 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.126 -3.751 -3.320 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.256 -4.739 -4.304 1.00 0.00 C ATOM 0 H TRP A 48 -0.205 -6.868 2.972 1.00 0.00 H new ATOM 0 HA TRP A 48 0.338 -5.229 0.582 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.319 -6.119 1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.188 -4.528 0.977 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.936 -8.262 0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.199 -8.534 -2.510 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.903 -3.318 -1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.366 -6.829 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.122 -2.710 -3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.350 -4.445 -5.339 1.00 0.00 H new ATOM 676 N ALA A 49 -0.428 -3.081 2.002 1.00 0.00 N ATOM 677 CA ALA A 49 -0.318 -1.909 2.863 1.00 0.00 C ATOM 678 C ALA A 49 -1.150 -0.751 2.323 1.00 0.00 C ATOM 679 O ALA A 49 -0.820 -0.164 1.292 1.00 0.00 O ATOM 680 CB ALA A 49 1.140 -1.494 3.005 1.00 0.00 C ATOM 0 H ALA A 49 -0.740 -2.879 1.052 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.707 -2.173 3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.208 -0.618 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.710 -2.313 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.547 -1.254 2.023 1.00 0.00 H new ATOM 686 N GLY A 50 -2.232 -0.429 3.025 1.00 0.00 N ATOM 687 CA GLY A 50 -3.094 0.657 2.600 1.00 0.00 C ATOM 688 C GLY A 50 -2.529 2.020 2.949 1.00 0.00 C ATOM 689 O GLY A 50 -2.057 2.236 4.065 1.00 0.00 O ATOM 0 H GLY A 50 -2.526 -0.901 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.245 0.596 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.073 0.543 3.066 1.00 0.00 H new ATOM 693 N VAL A 51 -2.575 2.941 1.992 1.00 0.00 N ATOM 694 CA VAL A 51 -2.063 4.290 2.203 1.00 0.00 C ATOM 695 C VAL A 51 -3.089 5.337 1.783 1.00 0.00 C ATOM 696 O VAL A 51 -3.741 5.202 0.748 1.00 0.00 O ATOM 697 CB VAL A 51 -0.757 4.524 1.422 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.148 5.869 1.786 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.231 3.396 1.682 1.00 0.00 C ATOM 0 H VAL A 51 -2.962 2.778 1.062 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.861 4.389 3.269 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.991 4.534 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.774 6.015 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.852 6.665 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.071 5.892 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.148 3.579 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.460 3.351 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.206 2.449 1.364 1.00 0.00 H new ATOM 709 N VAL A 52 -3.225 6.383 2.592 1.00 0.00 N ATOM 710 CA VAL A 52 -4.171 7.454 2.306 1.00 0.00 C ATOM 711 C VAL A 52 -3.461 8.669 1.717 1.00 0.00 C ATOM 712 O VAL A 52 -2.835 9.445 2.440 1.00 0.00 O ATOM 713 CB VAL A 52 -4.936 7.883 3.571 1.00 0.00 C ATOM 714 CG1 VAL A 52 -6.050 8.857 3.217 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.492 6.668 4.298 1.00 0.00 C ATOM 0 H VAL A 52 -2.691 6.511 3.452 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.882 7.062 1.579 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.240 8.390 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.580 9.149 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.623 9.742 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.746 8.379 2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.029 6.992 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.173 6.130 3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.672 6.010 4.587 1.00 0.00 H new ATOM 725 N LEU A 53 -3.562 8.828 0.401 1.00 0.00 N ATOM 726 CA LEU A 53 -2.931 9.949 -0.284 1.00 0.00 C ATOM 727 C LEU A 53 -3.464 11.278 0.239 1.00 0.00 C ATOM 728 O LEU A 53 -4.569 11.347 0.777 1.00 0.00 O ATOM 729 CB LEU A 53 -3.165 9.848 -1.793 1.00 0.00 C ATOM 730 CG LEU A 53 -2.598 8.591 -2.454 1.00 0.00 C ATOM 731 CD1 LEU A 53 -3.347 8.282 -3.741 1.00 0.00 C ATOM 732 CD2 LEU A 53 -1.111 8.756 -2.726 1.00 0.00 C ATOM 0 H LEU A 53 -4.075 8.194 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.860 9.907 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.238 9.887 -1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.725 10.722 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.730 7.752 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.930 7.384 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.402 8.120 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.247 9.120 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.725 7.852 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.955 9.606 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.586 8.929 -1.786 1.00 0.00 H new ATOM 744 N ASP A 54 -2.672 12.332 0.076 1.00 0.00 N ATOM 745 CA ASP A 54 -3.065 13.661 0.532 1.00 0.00 C ATOM 746 C ASP A 54 -4.056 14.297 -0.438 1.00 0.00 C ATOM 747 O ASP A 54 -4.975 15.006 -0.026 1.00 0.00 O ATOM 748 CB ASP A 54 -1.833 14.557 0.682 1.00 0.00 C ATOM 749 CG ASP A 54 -1.917 15.454 1.901 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.025 14.920 3.025 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.871 16.691 1.732 1.00 0.00 O ATOM 0 H ASP A 54 -1.755 12.292 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.550 13.557 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.941 13.935 0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.723 15.172 -0.211 1.00 0.00 H new ATOM 756 N ASP A 55 -3.863 14.041 -1.727 1.00 0.00 N ATOM 757 CA ASP A 55 -4.740 14.588 -2.756 1.00 0.00 C ATOM 758 C ASP A 55 -5.658 13.506 -3.322 1.00 0.00 C ATOM 759 O ASP A 55 -5.357 12.316 -3.231 1.00 0.00 O ATOM 760 CB ASP A 55 -3.914 15.212 -3.881 1.00 0.00 C ATOM 761 CG ASP A 55 -3.693 16.699 -3.681 1.00 0.00 C ATOM 762 OD1 ASP A 55 -4.675 17.463 -3.783 1.00 0.00 O ATOM 763 OD2 ASP A 55 -2.538 17.099 -3.422 1.00 0.00 O ATOM 0 H ASP A 55 -3.107 13.458 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.358 15.360 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.949 14.709 -3.941 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.419 15.047 -4.833 1.00 0.00 H new ATOM 768 N PRO A 56 -6.795 13.909 -3.915 1.00 0.00 N ATOM 769 CA PRO A 56 -7.758 12.968 -4.497 1.00 0.00 C ATOM 770 C PRO A 56 -7.234 12.321 -5.776 1.00 0.00 C ATOM 771 O PRO A 56 -7.802 12.502 -6.854 1.00 0.00 O ATOM 772 CB PRO A 56 -8.973 13.847 -4.798 1.00 0.00 C ATOM 773 CG PRO A 56 -8.413 15.214 -4.990 1.00 0.00 C ATOM 774 CD PRO A 56 -7.231 15.311 -4.066 1.00 0.00 C ATOM 0 HA PRO A 56 -7.974 12.136 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.498 13.505 -5.690 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.691 13.825 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.112 15.371 -6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.156 15.976 -4.755 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.442 15.933 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.506 15.751 -3.107 1.00 0.00 H new ATOM 782 N VAL A 57 -6.146 11.568 -5.648 1.00 0.00 N ATOM 783 CA VAL A 57 -5.545 10.895 -6.793 1.00 0.00 C ATOM 784 C VAL A 57 -5.292 9.421 -6.494 1.00 0.00 C ATOM 785 O VAL A 57 -4.353 8.823 -7.019 1.00 0.00 O ATOM 786 CB VAL A 57 -4.217 11.558 -7.201 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.474 12.884 -7.900 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.322 11.753 -5.987 1.00 0.00 C ATOM 0 H VAL A 57 -5.663 11.409 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.254 10.980 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.704 10.898 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.523 13.338 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.073 12.714 -8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.010 13.553 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.388 12.223 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.827 12.391 -5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.109 10.785 -5.533 1.00 0.00 H new ATOM 798 N GLY A 58 -6.136 8.841 -5.645 1.00 0.00 N ATOM 799 CA GLY A 58 -5.986 7.443 -5.291 1.00 0.00 C ATOM 800 C GLY A 58 -6.860 6.533 -6.132 1.00 0.00 C ATOM 801 O GLY A 58 -6.943 6.693 -7.350 1.00 0.00 O ATOM 0 H GLY A 58 -6.920 9.315 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.943 7.151 -5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.235 7.309 -4.238 1.00 0.00 H new ATOM 805 N LYS A 59 -7.513 5.576 -5.482 1.00 0.00 N ATOM 806 CA LYS A 59 -8.386 4.637 -6.176 1.00 0.00 C ATOM 807 C LYS A 59 -9.598 4.284 -5.319 1.00 0.00 C ATOM 808 O LYS A 59 -10.713 4.730 -5.588 1.00 0.00 O ATOM 809 CB LYS A 59 -7.615 3.367 -6.542 1.00 0.00 C ATOM 810 CG LYS A 59 -7.078 3.369 -7.965 1.00 0.00 C ATOM 811 CD LYS A 59 -7.434 2.084 -8.701 1.00 0.00 C ATOM 812 CE LYS A 59 -6.216 1.472 -9.377 1.00 0.00 C ATOM 813 NZ LYS A 59 -5.378 0.702 -8.419 1.00 0.00 N ATOM 0 H LYS A 59 -7.454 5.430 -4.474 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.739 5.115 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.783 3.245 -5.849 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.269 2.505 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.484 4.223 -8.506 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.995 3.490 -7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.860 1.367 -7.999 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.200 2.292 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.541 0.816 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.617 2.262 -9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.559 0.301 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.047 1.334 -7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.942 -0.068 -8.006 1.00 0.00 H new ATOM 827 N ASN A 60 -9.370 3.478 -4.288 1.00 0.00 N ATOM 828 CA ASN A 60 -10.443 3.063 -3.391 1.00 0.00 C ATOM 829 C ASN A 60 -10.776 4.167 -2.393 1.00 0.00 C ATOM 830 O ASN A 60 -10.170 5.238 -2.411 1.00 0.00 O ATOM 831 CB ASN A 60 -10.048 1.787 -2.645 1.00 0.00 C ATOM 832 CG ASN A 60 -10.141 0.553 -3.522 1.00 0.00 C ATOM 833 OD1 ASN A 60 -11.221 0.184 -3.982 1.00 0.00 O ATOM 834 ND2 ASN A 60 -9.004 -0.093 -3.756 1.00 0.00 N ATOM 0 H ASN A 60 -8.453 3.099 -4.052 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.329 2.864 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.029 1.888 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.695 1.662 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.004 -0.931 -4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.131 0.249 -3.354 1.00 0.00 H new ATOM 841 N ASP A 61 -11.744 3.898 -1.523 1.00 0.00 N ATOM 842 CA ASP A 61 -12.159 4.869 -0.516 1.00 0.00 C ATOM 843 C ASP A 61 -12.140 4.248 0.877 1.00 0.00 C ATOM 844 O ASP A 61 -12.995 4.545 1.712 1.00 0.00 O ATOM 845 CB ASP A 61 -13.559 5.397 -0.834 1.00 0.00 C ATOM 846 CG ASP A 61 -14.541 4.284 -1.140 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.261 3.480 -2.054 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.590 4.215 -0.467 1.00 0.00 O ATOM 0 H ASP A 61 -12.256 3.016 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.453 5.699 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.926 5.979 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.504 6.074 -1.687 1.00 0.00 H new ATOM 853 N GLY A 62 -11.162 3.383 1.121 1.00 0.00 N ATOM 854 CA GLY A 62 -11.050 2.734 2.414 1.00 0.00 C ATOM 855 C GLY A 62 -11.426 1.266 2.360 1.00 0.00 C ATOM 856 O GLY A 62 -10.927 0.461 3.146 1.00 0.00 O ATOM 0 H GLY A 62 -10.444 3.119 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.027 2.831 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.693 3.245 3.130 1.00 0.00 H new ATOM 860 N ALA A 63 -12.308 0.917 1.429 1.00 0.00 N ATOM 861 CA ALA A 63 -12.750 -0.463 1.273 1.00 0.00 C ATOM 862 C ALA A 63 -12.356 -1.015 -0.092 1.00 0.00 C ATOM 863 O ALA A 63 -12.157 -0.261 -1.044 1.00 0.00 O ATOM 864 CB ALA A 63 -14.256 -0.558 1.468 1.00 0.00 C ATOM 0 H ALA A 63 -12.731 1.572 0.771 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.256 -1.066 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.574 -1.594 1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.516 -0.211 2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.759 0.063 0.727 1.00 0.00 H new ATOM 870 N VAL A 64 -12.245 -2.337 -0.180 1.00 0.00 N ATOM 871 CA VAL A 64 -11.874 -2.991 -1.429 1.00 0.00 C ATOM 872 C VAL A 64 -12.619 -4.311 -1.600 1.00 0.00 C ATOM 873 O VAL A 64 -12.353 -5.281 -0.892 1.00 0.00 O ATOM 874 CB VAL A 64 -10.359 -3.259 -1.496 1.00 0.00 C ATOM 875 CG1 VAL A 64 -9.963 -3.746 -2.882 1.00 0.00 C ATOM 876 CG2 VAL A 64 -9.579 -2.008 -1.120 1.00 0.00 C ATOM 0 H VAL A 64 -12.407 -2.976 0.599 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.151 -2.312 -2.235 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.115 -4.042 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.889 -3.930 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.495 -4.670 -3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.221 -2.988 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.510 -2.216 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.827 -1.203 -1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.840 -1.707 -0.105 1.00 0.00 H new ATOM 886 N GLY A 65 -13.553 -4.339 -2.545 1.00 0.00 N ATOM 887 CA GLY A 65 -14.322 -5.544 -2.792 1.00 0.00 C ATOM 888 C GLY A 65 -15.547 -5.643 -1.904 1.00 0.00 C ATOM 889 O GLY A 65 -16.652 -5.293 -2.319 1.00 0.00 O ATOM 0 H GLY A 65 -13.791 -3.548 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.632 -5.566 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.688 -6.416 -2.629 1.00 0.00 H new ATOM 893 N GLY A 66 -15.352 -6.122 -0.680 1.00 0.00 N ATOM 894 CA GLY A 66 -16.458 -6.258 0.249 1.00 0.00 C ATOM 895 C GLY A 66 -16.012 -6.184 1.696 1.00 0.00 C ATOM 896 O GLY A 66 -16.641 -6.770 2.577 1.00 0.00 O ATOM 0 H GLY A 66 -14.447 -6.419 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.189 -5.472 0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.960 -7.210 0.075 1.00 0.00 H new ATOM 900 N VAL A 67 -14.924 -5.462 1.942 1.00 0.00 N ATOM 901 CA VAL A 67 -14.394 -5.313 3.292 1.00 0.00 C ATOM 902 C VAL A 67 -13.796 -3.925 3.498 1.00 0.00 C ATOM 903 O VAL A 67 -13.317 -3.299 2.553 1.00 0.00 O ATOM 904 CB VAL A 67 -13.317 -6.373 3.593 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.922 -6.331 5.060 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.809 -7.759 3.205 1.00 0.00 C ATOM 0 H VAL A 67 -14.392 -4.971 1.224 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.231 -5.451 3.977 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.433 -6.146 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.161 -7.087 5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.525 -5.345 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.797 -6.531 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.035 -8.495 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.708 -7.998 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.037 -7.779 2.139 1.00 0.00 H new ATOM 916 N ARG A 68 -13.827 -3.452 4.739 1.00 0.00 N ATOM 917 CA ARG A 68 -13.287 -2.138 5.070 1.00 0.00 C ATOM 918 C ARG A 68 -12.049 -2.266 5.952 1.00 0.00 C ATOM 919 O ARG A 68 -12.080 -2.929 6.988 1.00 0.00 O ATOM 920 CB ARG A 68 -14.348 -1.291 5.777 1.00 0.00 C ATOM 921 CG ARG A 68 -15.119 -0.376 4.838 1.00 0.00 C ATOM 922 CD ARG A 68 -15.502 0.927 5.521 1.00 0.00 C ATOM 923 NE ARG A 68 -16.799 1.423 5.066 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.239 2.659 5.289 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.490 3.527 5.959 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.430 3.030 4.840 1.00 0.00 N ATOM 0 H ARG A 68 -14.220 -3.959 5.532 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.999 -1.645 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.050 -1.952 6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.866 -0.687 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.513 -0.162 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -16.018 -0.884 4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.530 0.776 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.737 1.678 5.324 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.402 0.785 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.572 3.248 6.306 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.832 4.473 6.127 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.009 2.368 4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -18.767 3.977 5.011 1.00 0.00 H new ATOM 940 N TYR A 69 -10.962 -1.626 5.534 1.00 0.00 N ATOM 941 CA TYR A 69 -9.714 -1.668 6.287 1.00 0.00 C ATOM 942 C TYR A 69 -9.556 -0.420 7.151 1.00 0.00 C ATOM 943 O TYR A 69 -9.135 -0.501 8.305 1.00 0.00 O ATOM 944 CB TYR A 69 -8.524 -1.795 5.335 1.00 0.00 C ATOM 945 CG TYR A 69 -8.643 -2.950 4.365 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.460 -2.861 3.246 1.00 0.00 C ATOM 947 CD2 TYR A 69 -7.938 -4.130 4.570 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.571 -3.914 2.357 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.043 -5.187 3.687 1.00 0.00 C ATOM 950 CZ TYR A 69 -8.861 -5.073 2.582 1.00 0.00 C ATOM 951 OH TYR A 69 -8.968 -6.124 1.700 1.00 0.00 O ATOM 0 H TYR A 69 -10.920 -1.072 4.678 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.743 -2.540 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.420 -0.868 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.613 -1.916 5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.018 -1.954 3.067 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.297 -4.222 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.211 -3.828 1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.488 -6.097 3.861 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.152 -5.779 0.801 1.00 0.00 H new ATOM 961 N PHE A 70 -9.897 0.732 6.584 1.00 0.00 N ATOM 962 CA PHE A 70 -9.793 1.997 7.301 1.00 0.00 C ATOM 963 C PHE A 70 -10.838 2.991 6.805 1.00 0.00 C ATOM 964 O PHE A 70 -11.356 2.861 5.696 1.00 0.00 O ATOM 965 CB PHE A 70 -8.392 2.587 7.134 1.00 0.00 C ATOM 966 CG PHE A 70 -7.973 2.744 5.700 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.373 3.849 4.965 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.182 1.787 5.087 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.991 3.997 3.645 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.796 1.929 3.766 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.201 3.035 3.045 1.00 0.00 C ATOM 0 H PHE A 70 -10.248 0.816 5.630 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.975 1.803 8.358 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.356 3.560 7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.674 1.947 7.646 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.991 4.603 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.863 0.920 5.646 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.309 4.863 3.084 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.179 1.176 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.901 3.148 2.014 1.00 0.00 H new ATOM 981 N GLU A 71 -11.142 3.984 7.634 1.00 0.00 N ATOM 982 CA GLU A 71 -12.126 5.001 7.278 1.00 0.00 C ATOM 983 C GLU A 71 -11.441 6.312 6.905 1.00 0.00 C ATOM 984 O GLU A 71 -11.023 7.076 7.775 1.00 0.00 O ATOM 985 CB GLU A 71 -13.098 5.228 8.438 1.00 0.00 C ATOM 986 CG GLU A 71 -14.509 4.739 8.152 1.00 0.00 C ATOM 987 CD GLU A 71 -15.536 5.337 9.093 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.275 6.430 9.640 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.601 4.714 9.284 1.00 0.00 O ATOM 0 H GLU A 71 -10.722 4.107 8.556 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.684 4.646 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.719 4.719 9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.131 6.292 8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.775 4.988 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.536 3.652 8.234 1.00 0.00 H new ATOM 996 N CYS A 72 -11.329 6.565 5.605 1.00 0.00 N ATOM 997 CA CYS A 72 -10.695 7.784 5.115 1.00 0.00 C ATOM 998 C CYS A 72 -11.440 8.333 3.901 1.00 0.00 C ATOM 999 O CYS A 72 -12.333 7.680 3.362 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.233 7.512 4.755 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.048 8.092 5.993 1.00 0.00 S ATOM 0 H CYS A 72 -11.669 5.942 4.872 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.733 8.531 5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.098 6.440 4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.010 7.990 3.801 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.666 7.092 6.730 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.080 9.549 3.453 1.00 0.00 N ATOM 1008 CA PRO A 73 -11.719 10.185 2.296 1.00 0.00 C ATOM 1009 C PRO A 73 -11.745 9.272 1.075 1.00 0.00 C ATOM 1010 O PRO A 73 -10.969 8.321 0.981 1.00 0.00 O ATOM 1011 CB PRO A 73 -10.839 11.409 2.031 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.217 11.720 3.347 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.024 10.398 4.038 1.00 0.00 C ATOM 0 HA PRO A 73 -12.763 10.430 2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.082 11.196 1.276 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -11.429 12.249 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.265 12.235 3.217 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.857 12.378 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.031 9.989 3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.134 10.489 5.119 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.643 9.568 0.140 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.770 8.774 -1.075 1.00 0.00 C ATOM 1023 C ALA A 74 -11.680 9.127 -2.080 1.00 0.00 C ATOM 1024 O ALA A 74 -11.165 10.246 -2.084 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.145 8.975 -1.694 1.00 0.00 C ATOM 0 H ALA A 74 -13.293 10.352 0.202 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.653 7.724 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.227 8.376 -2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.912 8.665 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.283 10.028 -1.941 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.331 8.167 -2.930 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.301 8.377 -3.941 1.00 0.00 C ATOM 1033 C LEU A 75 -8.964 8.726 -3.291 1.00 0.00 C ATOM 1034 O LEU A 75 -8.154 9.451 -3.869 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.721 9.490 -4.903 1.00 0.00 C ATOM 1036 CG LEU A 75 -12.106 9.318 -5.528 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.589 10.630 -6.123 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -12.078 8.227 -6.588 1.00 0.00 C ATOM 0 H LEU A 75 -11.746 7.236 -2.939 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.181 7.449 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.696 10.440 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.984 9.555 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.804 9.020 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.576 10.488 -6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.646 11.386 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.892 10.959 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.071 8.117 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.367 8.497 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.775 7.284 -6.132 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.742 8.205 -2.089 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.504 8.462 -1.363 1.00 0.00 C ATOM 1052 C GLN A 76 -6.942 7.174 -0.773 1.00 0.00 C ATOM 1053 O GLN A 76 -5.744 6.906 -0.865 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.742 9.486 -0.251 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.724 10.926 -0.737 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.881 11.924 0.394 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.743 12.802 0.346 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.046 11.795 1.418 1.00 0.00 N ATOM 0 H GLN A 76 -9.403 7.603 -1.598 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.776 8.865 -2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.704 9.282 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.978 9.361 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.786 11.118 -1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.527 11.072 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.347 11.052 1.416 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.104 12.439 2.207 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.816 6.382 -0.166 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.393 5.129 0.433 1.00 0.00 C ATOM 1069 C GLY A 77 -6.932 4.120 -0.599 1.00 0.00 C ATOM 1070 O GLY A 77 -7.669 3.198 -0.948 1.00 0.00 O ATOM 0 H GLY A 77 -8.812 6.584 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.582 5.321 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.219 4.707 1.006 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.708 4.294 -1.089 1.00 0.00 N ATOM 1075 CA ILE A 78 -5.150 3.391 -2.088 1.00 0.00 C ATOM 1076 C ILE A 78 -4.307 2.302 -1.430 1.00 0.00 C ATOM 1077 O ILE A 78 -3.661 2.535 -0.409 1.00 0.00 O ATOM 1078 CB ILE A 78 -4.287 4.153 -3.114 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.780 3.201 -4.201 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -3.122 4.847 -2.422 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.741 3.823 -5.579 1.00 0.00 C ATOM 0 H ILE A 78 -5.085 5.052 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.990 2.930 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.907 4.915 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.779 2.861 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.420 2.319 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.524 5.379 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.505 5.555 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.502 4.104 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.372 3.092 -6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.745 4.138 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.078 4.688 -5.569 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.320 1.112 -2.023 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.558 -0.013 -1.494 1.00 0.00 C ATOM 1095 C PHE A 79 -2.402 -0.373 -2.422 1.00 0.00 C ATOM 1096 O PHE A 79 -2.538 -0.331 -3.644 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.469 -1.226 -1.299 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.104 -1.288 0.061 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.391 -1.755 1.153 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.415 -0.879 0.246 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -4.974 -1.814 2.404 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.003 -0.933 1.495 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.281 -1.402 2.576 1.00 0.00 C ATOM 0 H PHE A 79 -4.849 0.902 -2.869 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.146 0.282 -0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.253 -1.207 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.890 -2.135 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.368 -2.077 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.984 -0.514 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.408 -2.182 3.247 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.025 -0.609 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.738 -1.446 3.554 1.00 0.00 H new ATOM 1113 N THR A 80 -1.265 -0.729 -1.832 1.00 0.00 N ATOM 1114 CA THR A 80 -0.085 -1.098 -2.603 1.00 0.00 C ATOM 1115 C THR A 80 0.883 -1.918 -1.756 1.00 0.00 C ATOM 1116 O THR A 80 0.808 -1.909 -0.528 1.00 0.00 O ATOM 1117 CB THR A 80 0.617 0.154 -3.133 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.822 -0.188 -3.794 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.954 1.154 -2.049 1.00 0.00 C ATOM 0 H THR A 80 -1.137 -0.769 -0.821 1.00 0.00 H new ATOM 0 HA THR A 80 -0.409 -1.708 -3.446 1.00 0.00 H new ATOM 0 HB THR A 80 -0.092 0.614 -3.821 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.255 0.626 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.450 2.018 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.038 1.476 -1.554 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.617 0.690 -1.319 1.00 0.00 H new ATOM 1127 N ARG A 81 1.790 -2.627 -2.420 1.00 0.00 N ATOM 1128 CA ARG A 81 2.771 -3.453 -1.726 1.00 0.00 C ATOM 1129 C ARG A 81 3.711 -2.591 -0.883 1.00 0.00 C ATOM 1130 O ARG A 81 4.137 -1.522 -1.317 1.00 0.00 O ATOM 1131 CB ARG A 81 3.578 -4.275 -2.732 1.00 0.00 C ATOM 1132 CG ARG A 81 2.716 -4.999 -3.756 1.00 0.00 C ATOM 1133 CD ARG A 81 3.230 -4.787 -5.173 1.00 0.00 C ATOM 1134 NE ARG A 81 2.142 -4.537 -6.116 1.00 0.00 N ATOM 1135 CZ ARG A 81 2.316 -4.407 -7.429 1.00 0.00 C ATOM 1136 NH1 ARG A 81 3.530 -4.505 -7.958 1.00 0.00 N ATOM 1137 NH2 ARG A 81 1.273 -4.179 -8.216 1.00 0.00 N ATOM 0 H ARG A 81 1.866 -2.646 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 81 2.235 -4.130 -1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.272 -3.616 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.179 -5.007 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.700 -6.065 -3.530 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.688 -4.643 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.922 -3.945 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.791 -5.666 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 81 1.195 -4.458 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.335 -4.681 -7.357 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.657 -4.404 -8.965 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.338 -4.103 -7.815 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.406 -4.079 -9.222 1.00 0.00 H new ATOM 1151 N PRO A 82 4.049 -3.048 0.337 1.00 0.00 N ATOM 1152 CA PRO A 82 4.943 -2.308 1.234 1.00 0.00 C ATOM 1153 C PRO A 82 6.273 -1.963 0.572 1.00 0.00 C ATOM 1154 O PRO A 82 6.815 -0.876 0.774 1.00 0.00 O ATOM 1155 CB PRO A 82 5.166 -3.275 2.400 1.00 0.00 C ATOM 1156 CG PRO A 82 3.979 -4.174 2.382 1.00 0.00 C ATOM 1157 CD PRO A 82 3.589 -4.315 0.937 1.00 0.00 C ATOM 0 HA PRO A 82 4.514 -1.352 1.533 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.091 -3.838 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.243 -2.741 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.217 -5.144 2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.162 -3.753 2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.068 -5.177 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.513 -4.448 0.822 1.00 0.00 H new ATOM 1165 N SER A 83 6.793 -2.894 -0.221 1.00 0.00 N ATOM 1166 CA SER A 83 8.061 -2.691 -0.913 1.00 0.00 C ATOM 1167 C SER A 83 8.004 -1.453 -1.803 1.00 0.00 C ATOM 1168 O SER A 83 8.990 -0.728 -1.937 1.00 0.00 O ATOM 1169 CB SER A 83 8.411 -3.920 -1.751 1.00 0.00 C ATOM 1170 OG SER A 83 7.663 -3.949 -2.955 1.00 0.00 O ATOM 0 H SER A 83 6.355 -3.798 -0.401 1.00 0.00 H new ATOM 0 HA SER A 83 8.836 -2.540 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.476 -3.915 -1.982 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.214 -4.824 -1.175 1.00 0.00 H new ATOM 0 HG SER A 83 7.907 -4.744 -3.473 1.00 0.00 H new ATOM 1176 N LYS A 84 6.846 -1.220 -2.410 1.00 0.00 N ATOM 1177 CA LYS A 84 6.661 -0.069 -3.289 1.00 0.00 C ATOM 1178 C LYS A 84 6.728 1.234 -2.500 1.00 0.00 C ATOM 1179 O LYS A 84 7.144 2.268 -3.025 1.00 0.00 O ATOM 1180 CB LYS A 84 5.322 -0.170 -4.020 1.00 0.00 C ATOM 1181 CG LYS A 84 5.199 -1.404 -4.898 1.00 0.00 C ATOM 1182 CD LYS A 84 6.254 -1.417 -5.992 1.00 0.00 C ATOM 1183 CE LYS A 84 5.753 -2.128 -7.240 1.00 0.00 C ATOM 1184 NZ LYS A 84 6.814 -2.963 -7.867 1.00 0.00 N ATOM 0 H LYS A 84 6.021 -1.812 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 84 7.467 -0.069 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.516 -0.175 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.186 0.719 -4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.298 -2.300 -4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.207 -1.434 -5.348 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.533 -0.393 -6.242 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.153 -1.912 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.901 -2.757 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.398 -1.391 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.433 -3.431 -8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.617 -2.359 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.135 -3.683 -7.189 1.00 0.00 H new ATOM 1198 N LEU A 85 6.316 1.180 -1.238 1.00 0.00 N ATOM 1199 CA LEU A 85 6.330 2.358 -0.378 1.00 0.00 C ATOM 1200 C LEU A 85 7.754 2.706 0.047 1.00 0.00 C ATOM 1201 O LEU A 85 8.552 1.823 0.360 1.00 0.00 O ATOM 1202 CB LEU A 85 5.459 2.125 0.858 1.00 0.00 C ATOM 1203 CG LEU A 85 4.039 1.636 0.567 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.302 1.335 1.863 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.279 2.668 -0.252 1.00 0.00 C ATOM 0 H LEU A 85 5.968 0.333 -0.788 1.00 0.00 H new ATOM 0 HA LEU A 85 5.925 3.195 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.954 1.396 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.398 3.056 1.421 1.00 0.00 H new ATOM 0 HG LEU A 85 4.103 0.715 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.294 0.988 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.836 0.561 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.247 2.239 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.271 2.304 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.224 3.605 0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.796 2.836 -1.197 1.00 0.00 H new ATOM 1217 N THR A 86 8.064 3.999 0.057 1.00 0.00 N ATOM 1218 CA THR A 86 9.391 4.464 0.444 1.00 0.00 C ATOM 1219 C THR A 86 9.293 5.606 1.450 1.00 0.00 C ATOM 1220 O THR A 86 8.248 6.243 1.582 1.00 0.00 O ATOM 1221 CB THR A 86 10.174 4.919 -0.788 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.366 5.725 -1.627 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.699 3.770 -1.622 1.00 0.00 C ATOM 0 H THR A 86 7.414 4.743 -0.198 1.00 0.00 H new ATOM 0 HA THR A 86 9.918 3.634 0.914 1.00 0.00 H new ATOM 0 HB THR A 86 11.023 5.481 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.886 6.007 -2.409 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.245 4.163 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.367 3.157 -1.017 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.864 3.162 -1.970 1.00 0.00 H new ATOM 1231 N ARG A 87 10.390 5.861 2.157 1.00 0.00 N ATOM 1232 CA ARG A 87 10.427 6.928 3.151 1.00 0.00 C ATOM 1233 C ARG A 87 11.096 8.177 2.588 1.00 0.00 C ATOM 1234 O ARG A 87 11.703 8.954 3.325 1.00 0.00 O ATOM 1235 CB ARG A 87 11.168 6.459 4.405 1.00 0.00 C ATOM 1236 CG ARG A 87 10.315 5.607 5.333 1.00 0.00 C ATOM 1237 CD ARG A 87 10.406 6.086 6.773 1.00 0.00 C ATOM 1238 NE ARG A 87 11.483 5.424 7.505 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.875 5.777 8.726 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.283 6.784 9.357 1.00 0.00 N ATOM 1241 NH2 ARG A 87 12.863 5.121 9.320 1.00 0.00 N ATOM 0 H ARG A 87 11.264 5.344 2.060 1.00 0.00 H new ATOM 0 HA ARG A 87 9.400 7.178 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.046 5.887 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.526 7.331 4.953 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.276 5.637 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.638 4.568 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.568 7.164 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.458 5.900 7.277 1.00 0.00 H new ATOM 0 HE ARG A 87 11.963 4.645 7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.523 7.292 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.589 7.049 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.322 4.346 8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.164 5.391 10.256 1.00 0.00 H new ATOM 1255 N GLN A 88 10.982 8.365 1.276 1.00 0.00 N ATOM 1256 CA GLN A 88 11.576 9.523 0.615 1.00 0.00 C ATOM 1257 C GLN A 88 11.280 9.506 -0.883 1.00 0.00 C ATOM 1258 O GLN A 88 11.139 8.441 -1.483 1.00 0.00 O ATOM 1259 CB GLN A 88 13.088 9.551 0.846 1.00 0.00 C ATOM 1260 CG GLN A 88 13.762 8.205 0.638 1.00 0.00 C ATOM 1261 CD GLN A 88 15.116 8.329 -0.033 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.341 9.230 -0.841 1.00 0.00 O ATOM 1263 NE2 GLN A 88 16.026 7.421 0.300 1.00 0.00 N ATOM 0 H GLN A 88 10.484 7.731 0.650 1.00 0.00 H new ATOM 0 HA GLN A 88 11.133 10.421 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.536 10.280 0.171 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.285 9.893 1.862 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.882 7.710 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.117 7.569 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.795 6.692 0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.955 7.453 -0.119 1.00 0.00 H new ATOM 1272 N PRO A 89 11.180 10.692 -1.507 1.00 0.00 N ATOM 1273 CA PRO A 89 10.899 10.808 -2.942 1.00 0.00 C ATOM 1274 C PRO A 89 12.070 10.345 -3.800 1.00 0.00 C ATOM 1275 O PRO A 89 13.220 10.366 -3.363 1.00 0.00 O ATOM 1276 CB PRO A 89 10.652 12.306 -3.136 1.00 0.00 C ATOM 1277 CG PRO A 89 11.404 12.960 -2.029 1.00 0.00 C ATOM 1278 CD PRO A 89 11.335 12.011 -0.865 1.00 0.00 C ATOM 0 HA PRO A 89 10.060 10.182 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 89 11.008 12.643 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.589 12.542 -3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.438 13.149 -2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.963 13.924 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.237 12.057 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.495 12.240 -0.209 1.00 0.00 H new ATOM 1286 N SER A 90 11.769 9.925 -5.025 1.00 0.00 N ATOM 1287 CA SER A 90 12.798 9.455 -5.946 1.00 0.00 C ATOM 1288 C SER A 90 13.510 10.630 -6.610 1.00 0.00 C ATOM 1289 O SER A 90 13.057 11.146 -7.632 1.00 0.00 O ATOM 1290 CB SER A 90 12.182 8.549 -7.012 1.00 0.00 C ATOM 1291 OG SER A 90 13.145 8.175 -7.983 1.00 0.00 O ATOM 0 H SER A 90 10.822 9.901 -5.403 1.00 0.00 H new ATOM 0 HA SER A 90 13.530 8.885 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.770 7.656 -6.541 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.353 9.065 -7.497 1.00 0.00 H new ATOM 0 HG SER A 90 12.726 7.595 -8.652 1.00 0.00 H new ATOM 1297 N GLY A 91 14.627 11.048 -6.022 1.00 0.00 N ATOM 1298 CA GLY A 91 15.384 12.158 -6.570 1.00 0.00 C ATOM 1299 C GLY A 91 15.325 13.393 -5.689 1.00 0.00 C ATOM 1300 O GLY A 91 16.119 13.531 -4.760 1.00 0.00 O ATOM 0 H GLY A 91 15.021 10.637 -5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.424 11.856 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.999 12.403 -7.560 1.00 0.00 H new ATOM 1304 N PRO A 92 14.385 14.316 -5.958 1.00 0.00 N ATOM 1305 CA PRO A 92 14.239 15.545 -5.171 1.00 0.00 C ATOM 1306 C PRO A 92 13.671 15.279 -3.781 1.00 0.00 C ATOM 1307 O PRO A 92 12.481 15.005 -3.627 1.00 0.00 O ATOM 1308 CB PRO A 92 13.260 16.380 -5.997 1.00 0.00 C ATOM 1309 CG PRO A 92 12.461 15.380 -6.758 1.00 0.00 C ATOM 1310 CD PRO A 92 13.394 14.236 -7.047 1.00 0.00 C ATOM 0 HA PRO A 92 15.197 16.034 -4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 92 12.624 16.992 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 92 13.786 17.060 -6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 92 11.601 15.045 -6.178 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.074 15.811 -7.682 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.870 13.280 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.864 14.338 -8.025 1.00 0.00 H new ATOM 1318 N SER A 93 14.531 15.362 -2.770 1.00 0.00 N ATOM 1319 CA SER A 93 14.115 15.131 -1.392 1.00 0.00 C ATOM 1320 C SER A 93 14.154 16.427 -0.588 1.00 0.00 C ATOM 1321 O SER A 93 14.824 17.385 -0.970 1.00 0.00 O ATOM 1322 CB SER A 93 15.015 14.083 -0.734 1.00 0.00 C ATOM 1323 OG SER A 93 16.385 14.383 -0.941 1.00 0.00 O ATOM 0 H SER A 93 15.520 15.587 -2.880 1.00 0.00 H new ATOM 0 HA SER A 93 13.089 14.762 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.807 14.040 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.790 13.098 -1.142 1.00 0.00 H new ATOM 0 HG SER A 93 16.938 13.699 -0.509 1.00 0.00 H new ATOM 1329 N SER A 94 13.431 16.448 0.527 1.00 0.00 N ATOM 1330 CA SER A 94 13.382 17.627 1.385 1.00 0.00 C ATOM 1331 C SER A 94 14.515 17.605 2.404 1.00 0.00 C ATOM 1332 O SER A 94 15.260 16.629 2.500 1.00 0.00 O ATOM 1333 CB SER A 94 12.034 17.704 2.104 1.00 0.00 C ATOM 1334 OG SER A 94 10.963 17.474 1.207 1.00 0.00 O ATOM 0 H SER A 94 12.871 15.662 0.858 1.00 0.00 H new ATOM 0 HA SER A 94 13.501 18.509 0.756 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.004 16.967 2.907 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.921 18.684 2.566 1.00 0.00 H new ATOM 0 HG SER A 94 10.113 17.527 1.692 1.00 0.00 H new ATOM 1340 N GLY A 95 14.642 18.688 3.164 1.00 0.00 N ATOM 1341 CA GLY A 95 15.688 18.773 4.167 1.00 0.00 C ATOM 1342 C GLY A 95 15.624 20.060 4.965 1.00 0.00 C ATOM 1343 O GLY A 95 16.332 20.160 5.989 1.00 0.00 O ATOM 1344 OXT GLY A 95 14.868 20.970 4.564 1.00 0.00 O ATOM 0 H GLY A 95 14.039 19.509 3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 95 15.606 17.924 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 95 16.660 18.699 3.680 1.00 0.00 H new TER 1348 GLY A 95