USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 554 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 47 LYS NZ :NH3+ -115:sc= 0.532 (180deg=0.0802!) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.11 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 21:sc= 0.361 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 15 SER OG : rot 180:sc=-0.00427 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -141:sc= 1.2 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0.143 (180deg=-0.823) USER MOD Single : A 35 SER OG : rot 21:sc= 0.207 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0345 K(o=-0.035,f=-1.1) USER MOD Single : A 57 MET CE :methyl 156:sc= -1.17 (180deg=-1.97!) USER MOD Single : A 58 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.5) USER MOD Single : A 61 THR OG1 : rot 173:sc= -2.45! USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -172:sc= 0.454 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.714 -22.102 11.307 1.00 0.00 N ATOM 2 CA GLY A 1 -12.383 -22.148 11.881 1.00 0.00 C ATOM 3 C GLY A 1 -11.295 -22.080 10.829 1.00 0.00 C ATOM 4 O GLY A 1 -10.963 -23.087 10.202 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.422 -22.152 12.067 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.834 -21.214 10.779 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.842 -22.908 10.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.262 -21.319 12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.271 -23.067 12.457 1.00 0.00 H new ATOM 8 N SER A 2 -10.739 -20.889 10.630 1.00 0.00 N ATOM 9 CA SER A 2 -9.686 -20.691 9.642 1.00 0.00 C ATOM 10 C SER A 2 -8.329 -20.523 10.319 1.00 0.00 C ATOM 11 O SER A 2 -8.108 -19.565 11.060 1.00 0.00 O ATOM 12 CB SER A 2 -9.992 -19.468 8.775 1.00 0.00 C ATOM 13 OG SER A 2 -9.059 -19.345 7.716 1.00 0.00 O ATOM 0 H SER A 2 -11.001 -20.046 11.141 1.00 0.00 H new ATOM 0 HA SER A 2 -9.648 -21.576 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.000 -19.550 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.969 -18.568 9.390 1.00 0.00 H new ATOM 0 HG SER A 2 -9.278 -18.557 7.177 1.00 0.00 H new ATOM 19 N SER A 3 -7.424 -21.460 10.058 1.00 0.00 N ATOM 20 CA SER A 3 -6.090 -21.419 10.646 1.00 0.00 C ATOM 21 C SER A 3 -5.075 -22.107 9.738 1.00 0.00 C ATOM 22 O SER A 3 -5.323 -23.198 9.227 1.00 0.00 O ATOM 23 CB SER A 3 -6.095 -22.084 12.023 1.00 0.00 C ATOM 24 OG SER A 3 -6.570 -21.196 13.018 1.00 0.00 O ATOM 0 H SER A 3 -7.590 -22.257 9.443 1.00 0.00 H new ATOM 0 HA SER A 3 -5.801 -20.374 10.758 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.722 -22.975 11.997 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.086 -22.412 12.275 1.00 0.00 H new ATOM 0 HG SER A 3 -7.100 -20.487 12.598 1.00 0.00 H new ATOM 30 N GLY A 4 -3.930 -21.461 9.542 1.00 0.00 N ATOM 31 CA GLY A 4 -2.895 -22.025 8.697 1.00 0.00 C ATOM 32 C GLY A 4 -1.499 -21.685 9.183 1.00 0.00 C ATOM 33 O GLY A 4 -0.772 -22.555 9.663 1.00 0.00 O ATOM 0 H GLY A 4 -3.701 -20.556 9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.010 -23.108 8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.021 -21.657 7.679 1.00 0.00 H new ATOM 37 N SER A 5 -1.124 -20.416 9.059 1.00 0.00 N ATOM 38 CA SER A 5 0.196 -19.963 9.485 1.00 0.00 C ATOM 39 C SER A 5 0.097 -18.655 10.262 1.00 0.00 C ATOM 40 O SER A 5 -0.741 -17.804 9.962 1.00 0.00 O ATOM 41 CB SER A 5 1.112 -19.784 8.273 1.00 0.00 C ATOM 42 OG SER A 5 2.424 -19.430 8.674 1.00 0.00 O ATOM 0 H SER A 5 -1.715 -19.683 8.667 1.00 0.00 H new ATOM 0 HA SER A 5 0.620 -20.723 10.142 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.142 -20.708 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.708 -19.012 7.618 1.00 0.00 H new ATOM 0 HG SER A 5 2.991 -19.323 7.882 1.00 0.00 H new ATOM 48 N SER A 6 0.959 -18.500 11.261 1.00 0.00 N ATOM 49 CA SER A 6 0.968 -17.295 12.084 1.00 0.00 C ATOM 50 C SER A 6 1.818 -16.204 11.440 1.00 0.00 C ATOM 51 O SER A 6 3.038 -16.183 11.589 1.00 0.00 O ATOM 52 CB SER A 6 1.500 -17.613 13.483 1.00 0.00 C ATOM 53 OG SER A 6 0.671 -18.554 14.142 1.00 0.00 O ATOM 0 H SER A 6 1.661 -19.193 11.521 1.00 0.00 H new ATOM 0 HA SER A 6 -0.056 -16.932 12.166 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.514 -18.006 13.409 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.555 -16.697 14.071 1.00 0.00 H new ATOM 0 HG SER A 6 1.033 -18.742 15.033 1.00 0.00 H new ATOM 59 N GLY A 7 1.159 -15.297 10.724 1.00 0.00 N ATOM 60 CA GLY A 7 1.868 -14.214 10.067 1.00 0.00 C ATOM 61 C GLY A 7 0.947 -13.085 9.652 1.00 0.00 C ATOM 62 O GLY A 7 0.212 -12.539 10.475 1.00 0.00 O ATOM 0 H GLY A 7 0.148 -15.293 10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.634 -13.826 10.738 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.382 -14.601 9.187 1.00 0.00 H new ATOM 66 N ASP A 8 0.983 -12.734 8.371 1.00 0.00 N ATOM 67 CA ASP A 8 0.145 -11.661 7.848 1.00 0.00 C ATOM 68 C ASP A 8 -1.256 -11.726 8.447 1.00 0.00 C ATOM 69 O ASP A 8 -1.768 -12.796 8.776 1.00 0.00 O ATOM 70 CB ASP A 8 0.066 -11.745 6.323 1.00 0.00 C ATOM 71 CG ASP A 8 1.421 -11.977 5.684 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.420 -12.063 6.428 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.484 -12.070 4.440 1.00 0.00 O ATOM 0 H ASP A 8 1.584 -13.177 7.676 1.00 0.00 H new ATOM 0 HA ASP A 8 0.597 -10.710 8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.608 -12.554 6.041 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.363 -10.822 5.933 1.00 0.00 H new ATOM 78 N PRO A 9 -1.892 -10.554 8.593 1.00 0.00 N ATOM 79 CA PRO A 9 -3.242 -10.450 9.155 1.00 0.00 C ATOM 80 C PRO A 9 -4.303 -11.021 8.219 1.00 0.00 C ATOM 81 O PRO A 9 -4.068 -11.232 7.030 1.00 0.00 O ATOM 82 CB PRO A 9 -3.439 -8.943 9.330 1.00 0.00 C ATOM 83 CG PRO A 9 -2.529 -8.322 8.328 1.00 0.00 C ATOM 84 CD PRO A 9 -1.342 -9.238 8.223 1.00 0.00 C ATOM 0 HA PRO A 9 -3.343 -11.016 10.081 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.476 -8.656 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.188 -8.626 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.026 -8.215 7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.225 -7.324 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.928 -9.245 7.215 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.540 -8.934 8.895 1.00 0.00 H new ATOM 92 N PRO A 10 -5.501 -11.277 8.769 1.00 0.00 N ATOM 93 CA PRO A 10 -6.622 -11.825 8.000 1.00 0.00 C ATOM 94 C PRO A 10 -7.185 -10.822 7.000 1.00 0.00 C ATOM 95 O PRO A 10 -7.395 -11.146 5.831 1.00 0.00 O ATOM 96 CB PRO A 10 -7.663 -12.150 9.075 1.00 0.00 C ATOM 97 CG PRO A 10 -7.344 -11.228 10.202 1.00 0.00 C ATOM 98 CD PRO A 10 -5.852 -11.050 10.180 1.00 0.00 C ATOM 0 HA PRO A 10 -6.323 -12.685 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.676 -11.989 8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.599 -13.193 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.853 -10.272 10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.673 -11.646 11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.562 -10.053 10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.353 -11.762 10.838 1.00 0.00 H new ATOM 106 N TRP A 11 -7.427 -9.601 7.464 1.00 0.00 N ATOM 107 CA TRP A 11 -7.966 -8.550 6.609 1.00 0.00 C ATOM 108 C TRP A 11 -7.067 -8.319 5.400 1.00 0.00 C ATOM 109 O TRP A 11 -7.505 -7.775 4.385 1.00 0.00 O ATOM 110 CB TRP A 11 -8.122 -7.250 7.401 1.00 0.00 C ATOM 111 CG TRP A 11 -6.863 -6.823 8.094 1.00 0.00 C ATOM 112 CD1 TRP A 11 -6.593 -6.914 9.430 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.707 -6.237 7.488 1.00 0.00 C ATOM 114 NE1 TRP A 11 -5.337 -6.419 9.690 1.00 0.00 N ATOM 115 CE2 TRP A 11 -4.773 -5.999 8.516 1.00 0.00 C ATOM 116 CE3 TRP A 11 -5.368 -5.892 6.177 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -3.526 -5.430 8.271 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -4.131 -5.327 5.935 1.00 0.00 C ATOM 119 CH2 TRP A 11 -3.222 -5.101 6.978 1.00 0.00 C ATOM 0 H TRP A 11 -7.258 -9.315 8.428 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.946 -8.870 6.254 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.443 -6.457 6.725 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.911 -7.377 8.142 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.267 -7.316 10.172 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.897 -6.372 10.609 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -6.061 -6.064 5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.824 -5.255 9.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.860 -5.055 4.926 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.262 -4.658 6.757 1.00 0.00 H new ATOM 130 N ALA A 12 -5.810 -8.735 5.514 1.00 0.00 N ATOM 131 CA ALA A 12 -4.851 -8.575 4.428 1.00 0.00 C ATOM 132 C ALA A 12 -5.228 -9.440 3.230 1.00 0.00 C ATOM 133 O ALA A 12 -5.731 -10.554 3.374 1.00 0.00 O ATOM 134 CB ALA A 12 -3.448 -8.915 4.908 1.00 0.00 C ATOM 0 H ALA A 12 -5.432 -9.185 6.348 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.871 -7.533 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.742 -8.791 4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.172 -8.250 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.423 -9.948 5.255 1.00 0.00 H new ATOM 140 N PRO A 13 -4.980 -8.918 2.019 1.00 0.00 N ATOM 141 CA PRO A 13 -5.285 -9.629 0.775 1.00 0.00 C ATOM 142 C PRO A 13 -4.372 -10.829 0.552 1.00 0.00 C ATOM 143 O PRO A 13 -3.201 -10.674 0.206 1.00 0.00 O ATOM 144 CB PRO A 13 -5.047 -8.569 -0.305 1.00 0.00 C ATOM 145 CG PRO A 13 -4.072 -7.622 0.303 1.00 0.00 C ATOM 146 CD PRO A 13 -4.381 -7.596 1.774 1.00 0.00 C ATOM 0 HA PRO A 13 -6.295 -10.038 0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.650 -9.015 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.974 -8.064 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.048 -7.949 0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.169 -6.628 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.482 -7.445 2.371 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.070 -6.790 2.026 1.00 0.00 H new ATOM 154 N ARG A 14 -4.916 -12.025 0.752 1.00 0.00 N ATOM 155 CA ARG A 14 -4.149 -13.252 0.573 1.00 0.00 C ATOM 156 C ARG A 14 -3.142 -13.104 -0.563 1.00 0.00 C ATOM 157 O ARG A 14 -1.974 -13.469 -0.422 1.00 0.00 O ATOM 158 CB ARG A 14 -5.086 -14.427 0.288 1.00 0.00 C ATOM 159 CG ARG A 14 -6.247 -14.072 -0.626 1.00 0.00 C ATOM 160 CD ARG A 14 -7.478 -14.909 -0.314 1.00 0.00 C ATOM 161 NE ARG A 14 -8.677 -14.384 -0.962 1.00 0.00 N ATOM 162 CZ ARG A 14 -8.878 -14.418 -2.274 1.00 0.00 C ATOM 163 NH1 ARG A 14 -7.965 -14.952 -3.075 1.00 0.00 N ATOM 164 NH2 ARG A 14 -9.994 -13.919 -2.789 1.00 0.00 N ATOM 0 H ARG A 14 -5.884 -12.170 1.038 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.603 -13.447 1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.513 -15.236 -0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.480 -14.804 1.232 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.487 -13.015 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.954 -14.226 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.310 -15.936 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.632 -14.938 0.765 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.400 -13.968 -0.374 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.106 -15.338 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.122 -14.977 -4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.699 -13.508 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.147 -13.946 -3.797 1.00 0.00 H new ATOM 178 N SER A 15 -3.601 -12.566 -1.687 1.00 0.00 N ATOM 179 CA SER A 15 -2.742 -12.374 -2.850 1.00 0.00 C ATOM 180 C SER A 15 -2.668 -10.898 -3.233 1.00 0.00 C ATOM 181 O SER A 15 -3.617 -10.143 -3.021 1.00 0.00 O ATOM 182 CB SER A 15 -3.256 -13.194 -4.033 1.00 0.00 C ATOM 183 OG SER A 15 -2.646 -12.782 -5.243 1.00 0.00 O ATOM 0 H SER A 15 -4.564 -12.255 -1.818 1.00 0.00 H new ATOM 0 HA SER A 15 -1.740 -12.715 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.054 -14.251 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.338 -13.085 -4.112 1.00 0.00 H new ATOM 0 HG SER A 15 -2.991 -13.323 -5.984 1.00 0.00 H new ATOM 189 N TYR A 16 -1.536 -10.496 -3.798 1.00 0.00 N ATOM 190 CA TYR A 16 -1.337 -9.111 -4.210 1.00 0.00 C ATOM 191 C TYR A 16 -0.081 -8.972 -5.065 1.00 0.00 C ATOM 192 O TYR A 16 0.776 -9.856 -5.078 1.00 0.00 O ATOM 193 CB TYR A 16 -1.235 -8.203 -2.983 1.00 0.00 C ATOM 194 CG TYR A 16 -0.071 -8.537 -2.076 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.210 -8.081 -2.360 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.253 -9.310 -0.935 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.275 -8.383 -1.536 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.806 -9.617 -0.105 1.00 0.00 C ATOM 199 CZ TYR A 16 2.068 -9.152 -0.409 1.00 0.00 C ATOM 200 OH TYR A 16 3.127 -9.456 0.415 1.00 0.00 O ATOM 0 H TYR A 16 -0.742 -11.109 -3.982 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.197 -8.809 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.142 -7.169 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.161 -8.273 -2.412 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.375 -7.479 -3.241 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.240 -9.677 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.264 -8.020 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.647 -10.218 0.778 1.00 0.00 H new ATOM 0 HH TYR A 16 2.812 -10.004 1.164 1.00 0.00 H new ATOM 210 N LEU A 17 0.019 -7.856 -5.778 1.00 0.00 N ATOM 211 CA LEU A 17 1.169 -7.598 -6.638 1.00 0.00 C ATOM 212 C LEU A 17 2.458 -7.555 -5.823 1.00 0.00 C ATOM 213 O LEU A 17 3.321 -8.421 -5.963 1.00 0.00 O ATOM 214 CB LEU A 17 0.984 -6.280 -7.390 1.00 0.00 C ATOM 215 CG LEU A 17 0.263 -6.371 -8.736 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.260 -5.006 -9.155 1.00 0.00 C ATOM 217 CD2 LEU A 17 1.190 -6.938 -9.800 1.00 0.00 C ATOM 0 H LEU A 17 -0.682 -7.115 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 17 1.242 -8.412 -7.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.430 -5.594 -6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.967 -5.838 -7.556 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.587 -7.045 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.770 -5.091 -10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.959 -4.638 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.573 -4.310 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.660 -6.996 -10.751 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.060 -6.290 -9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.515 -7.936 -9.505 1.00 0.00 H new ATOM 229 N GLU A 18 2.580 -6.543 -4.971 1.00 0.00 N ATOM 230 CA GLU A 18 3.763 -6.389 -4.132 1.00 0.00 C ATOM 231 C GLU A 18 3.400 -5.771 -2.786 1.00 0.00 C ATOM 232 O GLU A 18 2.227 -5.531 -2.495 1.00 0.00 O ATOM 233 CB GLU A 18 4.806 -5.520 -4.839 1.00 0.00 C ATOM 234 CG GLU A 18 4.302 -4.131 -5.196 1.00 0.00 C ATOM 235 CD GLU A 18 5.380 -3.259 -5.808 1.00 0.00 C ATOM 236 OE1 GLU A 18 5.796 -3.543 -6.951 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.809 -2.292 -5.144 1.00 0.00 O ATOM 0 H GLU A 18 1.875 -5.817 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 18 4.183 -7.379 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.682 -5.425 -4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.130 -6.025 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.471 -4.219 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.914 -3.648 -4.299 1.00 0.00 H new ATOM 244 N LYS A 19 4.414 -5.515 -1.965 1.00 0.00 N ATOM 245 CA LYS A 19 4.202 -4.926 -0.649 1.00 0.00 C ATOM 246 C LYS A 19 5.087 -3.697 -0.455 1.00 0.00 C ATOM 247 O LYS A 19 6.302 -3.758 -0.647 1.00 0.00 O ATOM 248 CB LYS A 19 4.492 -5.954 0.447 1.00 0.00 C ATOM 249 CG LYS A 19 4.248 -5.431 1.851 1.00 0.00 C ATOM 250 CD LYS A 19 5.157 -6.106 2.865 1.00 0.00 C ATOM 251 CE LYS A 19 4.552 -7.403 3.380 1.00 0.00 C ATOM 252 NZ LYS A 19 5.098 -7.777 4.714 1.00 0.00 N ATOM 0 H LYS A 19 5.391 -5.707 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 19 3.159 -4.617 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.869 -6.833 0.283 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.529 -6.278 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.414 -4.354 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.207 -5.599 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.125 -6.311 2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.337 -5.430 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.469 -7.297 3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.751 -8.204 2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.661 -8.666 5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.128 -7.903 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.886 -7.024 5.399 1.00 0.00 H new ATOM 266 N VAL A 20 4.471 -2.583 -0.073 1.00 0.00 N ATOM 267 CA VAL A 20 5.202 -1.342 0.149 1.00 0.00 C ATOM 268 C VAL A 20 5.000 -0.831 1.571 1.00 0.00 C ATOM 269 O VAL A 20 4.034 -1.195 2.241 1.00 0.00 O ATOM 270 CB VAL A 20 4.767 -0.249 -0.843 1.00 0.00 C ATOM 271 CG1 VAL A 20 5.228 -0.591 -2.252 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.258 -0.059 -0.798 1.00 0.00 C ATOM 0 H VAL A 20 3.466 -2.515 0.089 1.00 0.00 H new ATOM 0 HA VAL A 20 6.257 -1.565 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 20 5.238 0.690 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.911 0.194 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.315 -0.672 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.789 -1.540 -2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.968 0.718 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.765 -0.994 -1.064 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.958 0.236 0.208 1.00 0.00 H new ATOM 282 N VAL A 21 5.919 0.014 2.028 1.00 0.00 N ATOM 283 CA VAL A 21 5.841 0.576 3.370 1.00 0.00 C ATOM 284 C VAL A 21 5.925 2.098 3.333 1.00 0.00 C ATOM 285 O VAL A 21 6.878 2.665 2.800 1.00 0.00 O ATOM 286 CB VAL A 21 6.965 0.033 4.272 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.302 0.074 3.546 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.031 0.820 5.573 1.00 0.00 C ATOM 0 H VAL A 21 6.727 0.324 1.487 1.00 0.00 H new ATOM 0 HA VAL A 21 4.878 0.277 3.783 1.00 0.00 H new ATOM 0 HB VAL A 21 6.742 -1.006 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.083 -0.314 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.246 -0.538 2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.536 1.103 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.831 0.423 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.229 1.869 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.081 0.732 6.100 1.00 0.00 H new ATOM 298 N ALA A 22 4.921 2.754 3.907 1.00 0.00 N ATOM 299 CA ALA A 22 4.881 4.211 3.943 1.00 0.00 C ATOM 300 C ALA A 22 6.152 4.779 4.563 1.00 0.00 C ATOM 301 O ALA A 22 6.656 4.255 5.558 1.00 0.00 O ATOM 302 CB ALA A 22 3.657 4.687 4.712 1.00 0.00 C ATOM 0 H ALA A 22 4.125 2.299 4.353 1.00 0.00 H new ATOM 0 HA ALA A 22 4.815 4.574 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.640 5.777 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.755 4.318 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.698 4.307 5.733 1.00 0.00 H new ATOM 308 N ILE A 23 6.667 5.851 3.970 1.00 0.00 N ATOM 309 CA ILE A 23 7.879 6.490 4.466 1.00 0.00 C ATOM 310 C ILE A 23 7.622 7.947 4.833 1.00 0.00 C ATOM 311 O ILE A 23 8.440 8.584 5.495 1.00 0.00 O ATOM 312 CB ILE A 23 9.014 6.426 3.426 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.535 6.977 2.082 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.513 4.997 3.273 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.649 7.181 1.080 1.00 0.00 C ATOM 0 H ILE A 23 6.263 6.295 3.145 1.00 0.00 H new ATOM 0 HA ILE A 23 8.183 5.942 5.358 1.00 0.00 H new ATOM 0 HB ILE A 23 9.842 7.043 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.799 6.293 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.028 7.928 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.315 4.969 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.889 4.638 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.693 4.359 2.943 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.235 7.573 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.375 7.888 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.141 6.228 0.884 1.00 0.00 H new ATOM 327 N TYR A 24 6.480 8.468 4.400 1.00 0.00 N ATOM 328 CA TYR A 24 6.115 9.851 4.682 1.00 0.00 C ATOM 329 C TYR A 24 4.678 9.942 5.186 1.00 0.00 C ATOM 330 O TYR A 24 3.818 9.154 4.791 1.00 0.00 O ATOM 331 CB TYR A 24 6.282 10.711 3.428 1.00 0.00 C ATOM 332 CG TYR A 24 7.721 10.857 2.983 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.683 11.374 3.840 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.113 10.481 1.705 1.00 0.00 C ATOM 335 CE1 TYR A 24 9.998 11.511 3.437 1.00 0.00 C ATOM 336 CE2 TYR A 24 9.426 10.612 1.294 1.00 0.00 C ATOM 337 CZ TYR A 24 10.364 11.128 2.163 1.00 0.00 C ATOM 338 OH TYR A 24 11.672 11.261 1.757 1.00 0.00 O ATOM 0 H TYR A 24 5.791 7.953 3.852 1.00 0.00 H new ATOM 0 HA TYR A 24 6.780 10.224 5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.702 10.272 2.616 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.867 11.701 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.399 11.674 4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.380 10.080 1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.735 11.915 4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.716 10.312 0.298 1.00 0.00 H new ATOM 0 HH TYR A 24 11.762 10.945 0.834 1.00 0.00 H new ATOM 348 N ASP A 25 4.425 10.910 6.062 1.00 0.00 N ATOM 349 CA ASP A 25 3.093 11.107 6.620 1.00 0.00 C ATOM 350 C ASP A 25 2.145 11.684 5.573 1.00 0.00 C ATOM 351 O ASP A 25 2.223 12.864 5.233 1.00 0.00 O ATOM 352 CB ASP A 25 3.158 12.035 7.833 1.00 0.00 C ATOM 353 CG ASP A 25 3.994 13.274 7.572 1.00 0.00 C ATOM 354 OD1 ASP A 25 5.184 13.124 7.228 1.00 0.00 O ATOM 355 OD2 ASP A 25 3.455 14.391 7.711 1.00 0.00 O ATOM 0 H ASP A 25 5.126 11.570 6.400 1.00 0.00 H new ATOM 0 HA ASP A 25 2.710 10.136 6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.148 12.334 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.575 11.491 8.681 1.00 0.00 H new ATOM 360 N TYR A 26 1.250 10.842 5.065 1.00 0.00 N ATOM 361 CA TYR A 26 0.289 11.269 4.055 1.00 0.00 C ATOM 362 C TYR A 26 -1.133 11.232 4.605 1.00 0.00 C ATOM 363 O TYR A 26 -1.497 10.330 5.362 1.00 0.00 O ATOM 364 CB TYR A 26 0.392 10.376 2.817 1.00 0.00 C ATOM 365 CG TYR A 26 -0.441 10.859 1.650 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.265 12.133 1.126 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.405 10.041 1.074 1.00 0.00 C ATOM 368 CE1 TYR A 26 -1.024 12.579 0.062 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.169 10.478 0.009 1.00 0.00 C ATOM 370 CZ TYR A 26 -1.975 11.748 -0.493 1.00 0.00 C ATOM 371 OH TYR A 26 -2.733 12.189 -1.554 1.00 0.00 O ATOM 0 H TYR A 26 1.171 9.862 5.336 1.00 0.00 H new ATOM 0 HA TYR A 26 0.524 12.296 3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.436 10.317 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.080 9.366 3.081 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.478 12.786 1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.560 9.046 1.465 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.874 13.573 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.914 9.829 -0.428 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.653 11.865 -1.456 1.00 0.00 H new ATOM 381 N THR A 27 -1.935 12.220 4.218 1.00 0.00 N ATOM 382 CA THR A 27 -3.318 12.302 4.673 1.00 0.00 C ATOM 383 C THR A 27 -4.284 12.325 3.493 1.00 0.00 C ATOM 384 O THR A 27 -4.341 13.298 2.744 1.00 0.00 O ATOM 385 CB THR A 27 -3.551 13.556 5.538 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.624 13.578 6.629 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.975 13.588 6.072 1.00 0.00 C ATOM 0 H THR A 27 -1.651 12.973 3.592 1.00 0.00 H new ATOM 0 HA THR A 27 -3.506 11.414 5.276 1.00 0.00 H new ATOM 0 HB THR A 27 -3.395 14.436 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.778 14.379 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.116 14.482 6.680 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.676 13.602 5.238 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.155 12.703 6.682 1.00 0.00 H new ATOM 395 N LYS A 28 -5.042 11.245 3.336 1.00 0.00 N ATOM 396 CA LYS A 28 -6.007 11.141 2.249 1.00 0.00 C ATOM 397 C LYS A 28 -6.872 12.394 2.166 1.00 0.00 C ATOM 398 O LYS A 28 -7.114 13.061 3.173 1.00 0.00 O ATOM 399 CB LYS A 28 -6.895 9.908 2.444 1.00 0.00 C ATOM 400 CG LYS A 28 -8.039 10.131 3.418 1.00 0.00 C ATOM 401 CD LYS A 28 -8.742 8.828 3.759 1.00 0.00 C ATOM 402 CE LYS A 28 -10.207 9.057 4.096 1.00 0.00 C ATOM 403 NZ LYS A 28 -10.873 7.805 4.553 1.00 0.00 N ATOM 0 H LYS A 28 -5.006 10.430 3.948 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.454 11.040 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.304 9.608 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.281 9.081 2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.657 10.589 4.330 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.755 10.830 2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.664 8.140 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.243 8.354 4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.286 9.816 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.725 9.445 3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.870 8.003 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.820 7.089 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.395 7.448 5.405 1.00 0.00 H new ATOM 417 N ASP A 29 -7.337 12.708 0.962 1.00 0.00 N ATOM 418 CA ASP A 29 -8.177 13.881 0.750 1.00 0.00 C ATOM 419 C ASP A 29 -9.653 13.497 0.735 1.00 0.00 C ATOM 420 O ASP A 29 -10.484 14.158 1.358 1.00 0.00 O ATOM 421 CB ASP A 29 -7.804 14.572 -0.564 1.00 0.00 C ATOM 422 CG ASP A 29 -8.632 15.814 -0.821 1.00 0.00 C ATOM 423 OD1 ASP A 29 -8.234 16.900 -0.350 1.00 0.00 O ATOM 424 OD2 ASP A 29 -9.679 15.702 -1.493 1.00 0.00 O ATOM 0 H ASP A 29 -7.147 12.167 0.118 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.008 14.572 1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.748 14.841 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.938 13.873 -1.389 1.00 0.00 H new ATOM 429 N LYS A 30 -9.973 12.423 0.020 1.00 0.00 N ATOM 430 CA LYS A 30 -11.349 11.950 -0.076 1.00 0.00 C ATOM 431 C LYS A 30 -11.464 10.513 0.422 1.00 0.00 C ATOM 432 O LYS A 30 -10.459 9.856 0.687 1.00 0.00 O ATOM 433 CB LYS A 30 -11.841 12.042 -1.522 1.00 0.00 C ATOM 434 CG LYS A 30 -10.744 11.838 -2.553 1.00 0.00 C ATOM 435 CD LYS A 30 -11.141 12.399 -3.909 1.00 0.00 C ATOM 436 CE LYS A 30 -10.709 13.849 -4.060 1.00 0.00 C ATOM 437 NZ LYS A 30 -11.736 14.792 -3.532 1.00 0.00 N ATOM 0 H LYS A 30 -9.298 11.864 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.972 12.585 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.620 11.296 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.299 13.019 -1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.829 12.322 -2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.526 10.774 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.688 11.799 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.222 12.325 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.768 14.004 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.524 14.065 -5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.895 15.554 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.627 14.280 -3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.404 15.201 -2.635 1.00 0.00 H new ATOM 451 N GLU A 31 -12.698 10.031 0.543 1.00 0.00 N ATOM 452 CA GLU A 31 -12.943 8.672 1.008 1.00 0.00 C ATOM 453 C GLU A 31 -12.430 7.650 -0.003 1.00 0.00 C ATOM 454 O GLU A 31 -12.426 6.448 0.261 1.00 0.00 O ATOM 455 CB GLU A 31 -14.438 8.455 1.253 1.00 0.00 C ATOM 456 CG GLU A 31 -15.318 8.930 0.109 1.00 0.00 C ATOM 457 CD GLU A 31 -16.749 8.444 0.232 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.947 7.235 0.478 1.00 0.00 O ATOM 459 OE2 GLU A 31 -17.671 9.273 0.085 1.00 0.00 O ATOM 0 H GLU A 31 -13.542 10.562 0.326 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.404 8.534 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.619 7.394 1.423 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.728 8.978 2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.310 10.020 0.078 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.900 8.581 -0.835 1.00 0.00 H new ATOM 466 N ASP A 32 -11.998 8.137 -1.161 1.00 0.00 N ATOM 467 CA ASP A 32 -11.482 7.269 -2.211 1.00 0.00 C ATOM 468 C ASP A 32 -9.988 7.017 -2.025 1.00 0.00 C ATOM 469 O ASP A 32 -9.454 6.016 -2.498 1.00 0.00 O ATOM 470 CB ASP A 32 -11.738 7.886 -3.587 1.00 0.00 C ATOM 471 CG ASP A 32 -13.090 8.567 -3.671 1.00 0.00 C ATOM 472 OD1 ASP A 32 -13.406 9.377 -2.774 1.00 0.00 O ATOM 473 OD2 ASP A 32 -13.834 8.290 -4.635 1.00 0.00 O ATOM 0 H ASP A 32 -11.995 9.130 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 32 -12.005 6.315 -2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.955 8.611 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.678 7.108 -4.348 1.00 0.00 H new ATOM 478 N GLU A 33 -9.322 7.935 -1.331 1.00 0.00 N ATOM 479 CA GLU A 33 -7.890 7.814 -1.084 1.00 0.00 C ATOM 480 C GLU A 33 -7.624 7.065 0.219 1.00 0.00 C ATOM 481 O GLU A 33 -8.554 6.624 0.897 1.00 0.00 O ATOM 482 CB GLU A 33 -7.239 9.198 -1.030 1.00 0.00 C ATOM 483 CG GLU A 33 -6.936 9.780 -2.401 1.00 0.00 C ATOM 484 CD GLU A 33 -5.979 10.955 -2.336 1.00 0.00 C ATOM 485 OE1 GLU A 33 -4.970 10.861 -1.606 1.00 0.00 O ATOM 486 OE2 GLU A 33 -6.240 11.970 -3.015 1.00 0.00 O ATOM 0 H GLU A 33 -9.751 8.769 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.453 7.247 -1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.898 9.880 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.313 9.133 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.509 9.003 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.867 10.099 -2.870 1.00 0.00 H new ATOM 493 N LEU A 34 -6.349 6.924 0.565 1.00 0.00 N ATOM 494 CA LEU A 34 -5.959 6.227 1.787 1.00 0.00 C ATOM 495 C LEU A 34 -4.989 7.070 2.607 1.00 0.00 C ATOM 496 O LEU A 34 -4.229 7.869 2.060 1.00 0.00 O ATOM 497 CB LEU A 34 -5.322 4.879 1.446 1.00 0.00 C ATOM 498 CG LEU A 34 -5.503 3.771 2.483 1.00 0.00 C ATOM 499 CD1 LEU A 34 -5.170 2.416 1.880 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.640 4.039 3.708 1.00 0.00 C ATOM 0 H LEU A 34 -5.567 7.283 0.017 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.856 6.057 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.735 4.534 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.254 5.033 1.291 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.547 3.760 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.305 1.640 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.831 2.221 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.135 2.414 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.782 3.240 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.591 4.079 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.927 4.991 4.154 1.00 0.00 H new ATOM 512 N SER A 35 -5.020 6.885 3.923 1.00 0.00 N ATOM 513 CA SER A 35 -4.143 7.629 4.821 1.00 0.00 C ATOM 514 C SER A 35 -3.185 6.690 5.547 1.00 0.00 C ATOM 515 O SER A 35 -3.570 5.602 5.974 1.00 0.00 O ATOM 516 CB SER A 35 -4.971 8.418 5.836 1.00 0.00 C ATOM 517 OG SER A 35 -4.151 9.289 6.597 1.00 0.00 O ATOM 0 H SER A 35 -5.643 6.227 4.391 1.00 0.00 H new ATOM 0 HA SER A 35 -3.556 8.325 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.736 8.995 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.490 7.728 6.501 1.00 0.00 H new ATOM 0 HG SER A 35 -3.312 9.451 6.117 1.00 0.00 H new ATOM 523 N PHE A 36 -1.935 7.121 5.682 1.00 0.00 N ATOM 524 CA PHE A 36 -0.920 6.319 6.354 1.00 0.00 C ATOM 525 C PHE A 36 0.204 7.201 6.890 1.00 0.00 C ATOM 526 O PHE A 36 0.475 8.272 6.349 1.00 0.00 O ATOM 527 CB PHE A 36 -0.348 5.271 5.397 1.00 0.00 C ATOM 528 CG PHE A 36 -0.128 5.789 4.006 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.997 6.538 3.702 1.00 0.00 C ATOM 530 CD2 PHE A 36 -1.043 5.526 2.999 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.203 7.017 2.421 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.843 6.001 1.717 1.00 0.00 C ATOM 533 CZ PHE A 36 0.283 6.747 1.428 1.00 0.00 C ATOM 0 H PHE A 36 -1.601 8.020 5.335 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.394 5.812 7.195 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.599 4.906 5.794 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.026 4.419 5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.722 6.750 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.924 4.942 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.083 7.602 2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.565 5.789 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.443 7.118 0.427 1.00 0.00 H new ATOM 543 N GLN A 37 0.853 6.742 7.955 1.00 0.00 N ATOM 544 CA GLN A 37 1.945 7.490 8.564 1.00 0.00 C ATOM 545 C GLN A 37 3.272 6.754 8.395 1.00 0.00 C ATOM 546 O GLN A 37 3.299 5.529 8.275 1.00 0.00 O ATOM 547 CB GLN A 37 1.666 7.727 10.048 1.00 0.00 C ATOM 548 CG GLN A 37 1.486 6.445 10.846 1.00 0.00 C ATOM 549 CD GLN A 37 0.715 6.661 12.133 1.00 0.00 C ATOM 550 OE1 GLN A 37 -0.407 6.177 12.286 1.00 0.00 O ATOM 551 NE2 GLN A 37 1.313 7.391 13.067 1.00 0.00 N ATOM 0 H GLN A 37 0.641 5.856 8.414 1.00 0.00 H new ATOM 0 HA GLN A 37 2.017 8.452 8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.488 8.300 10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.768 8.336 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.963 5.711 10.233 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.465 6.027 11.080 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.244 7.773 12.898 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.842 7.570 13.954 1.00 0.00 H new ATOM 560 N GLU A 38 4.365 7.507 8.388 1.00 0.00 N ATOM 561 CA GLU A 38 5.693 6.925 8.233 1.00 0.00 C ATOM 562 C GLU A 38 5.836 5.663 9.081 1.00 0.00 C ATOM 563 O GLU A 38 6.082 5.737 10.284 1.00 0.00 O ATOM 564 CB GLU A 38 6.769 7.940 8.622 1.00 0.00 C ATOM 565 CG GLU A 38 8.183 7.388 8.543 1.00 0.00 C ATOM 566 CD GLU A 38 9.234 8.431 8.869 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.536 8.618 10.067 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.757 9.061 7.926 1.00 0.00 O ATOM 0 H GLU A 38 4.358 8.522 8.488 1.00 0.00 H new ATOM 0 HA GLU A 38 5.823 6.655 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.690 8.809 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.579 8.287 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.281 6.550 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.362 6.998 7.541 1.00 0.00 H new ATOM 575 N GLY A 39 5.680 4.507 8.444 1.00 0.00 N ATOM 576 CA GLY A 39 5.795 3.247 9.153 1.00 0.00 C ATOM 577 C GLY A 39 4.555 2.386 9.010 1.00 0.00 C ATOM 578 O GLY A 39 4.242 1.584 9.889 1.00 0.00 O ATOM 0 H GLY A 39 5.476 4.421 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.659 2.699 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.977 3.443 10.210 1.00 0.00 H new ATOM 582 N ALA A 40 3.847 2.553 7.897 1.00 0.00 N ATOM 583 CA ALA A 40 2.635 1.783 7.641 1.00 0.00 C ATOM 584 C ALA A 40 2.850 0.779 6.514 1.00 0.00 C ATOM 585 O ALA A 40 3.481 1.093 5.503 1.00 0.00 O ATOM 586 CB ALA A 40 1.479 2.714 7.307 1.00 0.00 C ATOM 0 H ALA A 40 4.091 3.214 7.159 1.00 0.00 H new ATOM 0 HA ALA A 40 2.390 1.227 8.546 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.581 2.126 7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.302 3.389 8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.725 3.296 6.419 1.00 0.00 H new ATOM 592 N ILE A 41 2.325 -0.427 6.694 1.00 0.00 N ATOM 593 CA ILE A 41 2.459 -1.477 5.691 1.00 0.00 C ATOM 594 C ILE A 41 1.235 -1.532 4.785 1.00 0.00 C ATOM 595 O ILE A 41 0.102 -1.612 5.260 1.00 0.00 O ATOM 596 CB ILE A 41 2.663 -2.856 6.344 1.00 0.00 C ATOM 597 CG1 ILE A 41 3.884 -2.833 7.267 1.00 0.00 C ATOM 598 CG2 ILE A 41 2.820 -3.929 5.277 1.00 0.00 C ATOM 599 CD1 ILE A 41 5.202 -2.778 6.527 1.00 0.00 C ATOM 0 H ILE A 41 1.802 -0.702 7.525 1.00 0.00 H new ATOM 0 HA ILE A 41 3.338 -1.233 5.095 1.00 0.00 H new ATOM 0 HB ILE A 41 1.783 -3.091 6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.812 -1.970 7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.868 -3.721 7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.963 -4.898 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.924 -3.959 4.657 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.685 -3.699 4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.022 -2.764 7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.296 -3.654 5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.239 -1.876 5.916 1.00 0.00 H new ATOM 611 N ILE A 42 1.470 -1.490 3.479 1.00 0.00 N ATOM 612 CA ILE A 42 0.387 -1.538 2.504 1.00 0.00 C ATOM 613 C ILE A 42 0.627 -2.629 1.467 1.00 0.00 C ATOM 614 O ILE A 42 1.728 -2.759 0.932 1.00 0.00 O ATOM 615 CB ILE A 42 0.216 -0.188 1.784 1.00 0.00 C ATOM 616 CG1 ILE A 42 -0.064 0.925 2.797 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.905 -0.272 0.758 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.124 2.316 2.232 1.00 0.00 C ATOM 0 H ILE A 42 2.402 -1.423 3.070 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.525 -1.762 3.058 1.00 0.00 H new ATOM 0 HB ILE A 42 1.143 0.047 1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.086 0.825 3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.595 0.798 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.013 0.690 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.667 -1.039 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.839 -0.527 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.091 3.055 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.153 2.435 1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.554 2.462 1.391 1.00 0.00 H new ATOM 630 N TYR A 43 -0.411 -3.411 1.186 1.00 0.00 N ATOM 631 CA TYR A 43 -0.312 -4.491 0.213 1.00 0.00 C ATOM 632 C TYR A 43 -0.798 -4.034 -1.160 1.00 0.00 C ATOM 633 O TYR A 43 -1.998 -4.008 -1.430 1.00 0.00 O ATOM 634 CB TYR A 43 -1.126 -5.700 0.678 1.00 0.00 C ATOM 635 CG TYR A 43 -0.529 -6.408 1.872 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.596 -7.211 1.739 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.092 -6.274 3.136 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.144 -7.860 2.828 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.550 -6.919 4.231 1.00 0.00 C ATOM 640 CZ TYR A 43 0.568 -7.711 4.071 1.00 0.00 C ATOM 641 OH TYR A 43 1.109 -8.356 5.159 1.00 0.00 O ATOM 0 H TYR A 43 -1.330 -3.316 1.619 1.00 0.00 H new ATOM 0 HA TYR A 43 0.737 -4.777 0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.136 -5.374 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.214 -6.407 -0.147 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.051 -7.330 0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.968 -5.655 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.019 -8.481 2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.999 -6.804 5.206 1.00 0.00 H new ATOM 0 HH TYR A 43 0.584 -8.144 5.959 1.00 0.00 H new ATOM 651 N VAL A 44 0.146 -3.674 -2.024 1.00 0.00 N ATOM 652 CA VAL A 44 -0.183 -3.220 -3.370 1.00 0.00 C ATOM 653 C VAL A 44 -0.850 -4.329 -4.177 1.00 0.00 C ATOM 654 O VAL A 44 -0.252 -5.375 -4.424 1.00 0.00 O ATOM 655 CB VAL A 44 1.072 -2.736 -4.122 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.713 -2.300 -5.533 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.746 -1.605 -3.360 1.00 0.00 C ATOM 0 H VAL A 44 1.144 -3.688 -1.816 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.877 -2.386 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 44 1.776 -3.566 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.612 -1.961 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.279 -3.141 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.009 -1.485 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.630 -1.275 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.052 -0.771 -3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.040 -1.957 -2.371 1.00 0.00 H new ATOM 667 N ILE A 45 -2.092 -4.089 -4.584 1.00 0.00 N ATOM 668 CA ILE A 45 -2.841 -5.067 -5.364 1.00 0.00 C ATOM 669 C ILE A 45 -3.170 -4.528 -6.752 1.00 0.00 C ATOM 670 O ILE A 45 -3.366 -5.291 -7.697 1.00 0.00 O ATOM 671 CB ILE A 45 -4.150 -5.469 -4.659 1.00 0.00 C ATOM 672 CG1 ILE A 45 -4.985 -4.227 -4.340 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.848 -6.250 -3.389 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.474 -4.491 -4.307 1.00 0.00 C ATOM 0 H ILE A 45 -2.600 -3.227 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.205 -5.947 -5.459 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.725 -6.109 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.674 -3.828 -3.375 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.777 -3.458 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.783 -6.527 -2.901 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.289 -7.151 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.256 -5.632 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.002 -3.566 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.800 -4.861 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.695 -5.236 -3.543 1.00 0.00 H new ATOM 686 N LYS A 46 -3.226 -3.206 -6.868 1.00 0.00 N ATOM 687 CA LYS A 46 -3.528 -2.561 -8.141 1.00 0.00 C ATOM 688 C LYS A 46 -2.483 -1.502 -8.476 1.00 0.00 C ATOM 689 O LYS A 46 -1.991 -0.799 -7.593 1.00 0.00 O ATOM 690 CB LYS A 46 -4.918 -1.923 -8.096 1.00 0.00 C ATOM 691 CG LYS A 46 -5.475 -1.581 -9.468 1.00 0.00 C ATOM 692 CD LYS A 46 -6.855 -0.954 -9.368 1.00 0.00 C ATOM 693 CE LYS A 46 -7.949 -2.012 -9.349 1.00 0.00 C ATOM 694 NZ LYS A 46 -9.304 -1.410 -9.479 1.00 0.00 N ATOM 0 H LYS A 46 -3.066 -2.559 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.510 -3.324 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.605 -2.604 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.873 -1.015 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.798 -0.894 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.528 -2.484 -10.076 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.916 -0.350 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.012 -0.282 -10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.786 -2.718 -10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.891 -2.578 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.021 -2.163 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.470 -0.755 -8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.368 -0.891 -10.378 1.00 0.00 H new ATOM 708 N LYS A 47 -2.147 -1.393 -9.757 1.00 0.00 N ATOM 709 CA LYS A 47 -1.161 -0.418 -10.210 1.00 0.00 C ATOM 710 C LYS A 47 -1.696 0.387 -11.390 1.00 0.00 C ATOM 711 O LYS A 47 -2.034 -0.171 -12.434 1.00 0.00 O ATOM 712 CB LYS A 47 0.137 -1.124 -10.607 1.00 0.00 C ATOM 713 CG LYS A 47 1.022 -1.480 -9.425 1.00 0.00 C ATOM 714 CD LYS A 47 2.341 -2.084 -9.878 1.00 0.00 C ATOM 715 CE LYS A 47 3.276 -1.024 -10.440 1.00 0.00 C ATOM 716 NZ LYS A 47 4.142 -0.433 -9.384 1.00 0.00 N ATOM 0 H LYS A 47 -2.543 -1.968 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.958 0.268 -9.387 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.107 -2.034 -11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.696 -0.483 -11.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.215 -0.586 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.501 -2.186 -8.778 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.821 -2.585 -9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.153 -2.844 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.900 -1.465 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.690 -0.236 -10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.908 0.573 -9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.984 -0.933 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.140 -0.526 -9.661 1.00 0.00 H new ATOM 730 N ASN A 48 -1.769 1.703 -11.217 1.00 0.00 N ATOM 731 CA ASN A 48 -2.261 2.586 -12.268 1.00 0.00 C ATOM 732 C ASN A 48 -1.106 3.149 -13.092 1.00 0.00 C ATOM 733 O ASN A 48 0.013 3.282 -12.599 1.00 0.00 O ATOM 734 CB ASN A 48 -3.075 3.731 -11.662 1.00 0.00 C ATOM 735 CG ASN A 48 -4.461 3.291 -11.231 1.00 0.00 C ATOM 736 OD1 ASN A 48 -5.076 2.432 -11.864 1.00 0.00 O ATOM 737 ND2 ASN A 48 -4.958 3.879 -10.150 1.00 0.00 N ATOM 0 H ASN A 48 -1.494 2.181 -10.359 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.903 2.002 -12.927 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.542 4.137 -10.802 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.163 4.536 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.886 3.624 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.412 4.586 -9.657 1.00 0.00 H new ATOM 744 N ASP A 49 -1.388 3.476 -14.349 1.00 0.00 N ATOM 745 CA ASP A 49 -0.374 4.025 -15.240 1.00 0.00 C ATOM 746 C ASP A 49 0.535 4.998 -14.496 1.00 0.00 C ATOM 747 O ASP A 49 1.760 4.932 -14.611 1.00 0.00 O ATOM 748 CB ASP A 49 -1.035 4.732 -16.425 1.00 0.00 C ATOM 749 CG ASP A 49 -1.630 3.757 -17.423 1.00 0.00 C ATOM 750 OD1 ASP A 49 -2.733 3.236 -17.156 1.00 0.00 O ATOM 751 OD2 ASP A 49 -0.991 3.513 -18.468 1.00 0.00 O ATOM 0 H ASP A 49 -2.310 3.370 -14.773 1.00 0.00 H new ATOM 0 HA ASP A 49 0.233 3.199 -15.611 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.818 5.395 -16.058 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.298 5.358 -16.928 1.00 0.00 H new ATOM 756 N ASP A 50 -0.070 5.901 -13.733 1.00 0.00 N ATOM 757 CA ASP A 50 0.685 6.888 -12.970 1.00 0.00 C ATOM 758 C ASP A 50 1.190 6.289 -11.661 1.00 0.00 C ATOM 759 O ASP A 50 0.960 5.117 -11.372 1.00 0.00 O ATOM 760 CB ASP A 50 -0.183 8.114 -12.682 1.00 0.00 C ATOM 761 CG ASP A 50 -0.665 8.791 -13.950 1.00 0.00 C ATOM 762 OD1 ASP A 50 -1.649 8.302 -14.546 1.00 0.00 O ATOM 763 OD2 ASP A 50 -0.061 9.809 -14.347 1.00 0.00 O ATOM 0 H ASP A 50 -1.082 5.970 -13.626 1.00 0.00 H new ATOM 0 HA ASP A 50 1.545 7.193 -13.566 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.043 7.814 -12.084 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.387 8.827 -12.086 1.00 0.00 H new ATOM 768 N GLY A 51 1.885 7.106 -10.874 1.00 0.00 N ATOM 769 CA GLY A 51 2.415 6.640 -9.604 1.00 0.00 C ATOM 770 C GLY A 51 1.342 6.510 -8.541 1.00 0.00 C ATOM 771 O GLY A 51 1.302 7.291 -7.592 1.00 0.00 O ATOM 0 H GLY A 51 2.090 8.081 -11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.898 5.674 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.183 7.332 -9.258 1.00 0.00 H new ATOM 775 N TRP A 52 0.469 5.522 -8.700 1.00 0.00 N ATOM 776 CA TRP A 52 -0.609 5.292 -7.747 1.00 0.00 C ATOM 777 C TRP A 52 -0.976 3.814 -7.682 1.00 0.00 C ATOM 778 O TRP A 52 -1.322 3.205 -8.695 1.00 0.00 O ATOM 779 CB TRP A 52 -1.840 6.118 -8.129 1.00 0.00 C ATOM 780 CG TRP A 52 -1.607 7.598 -8.059 1.00 0.00 C ATOM 781 CD1 TRP A 52 -0.882 8.355 -8.931 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.100 8.495 -7.058 1.00 0.00 C ATOM 783 NE1 TRP A 52 -0.895 9.672 -8.536 1.00 0.00 N ATOM 784 CE2 TRP A 52 -1.636 9.783 -7.390 1.00 0.00 C ATOM 785 CE3 TRP A 52 -2.890 8.338 -5.917 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -1.936 10.904 -6.618 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -3.187 9.450 -5.152 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.711 10.720 -5.506 1.00 0.00 C ATOM 0 H TRP A 52 0.487 4.867 -9.481 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.260 5.603 -6.762 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.147 5.853 -9.141 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.665 5.855 -7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -0.372 7.976 -9.804 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.429 10.441 -9.018 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.263 7.364 -5.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -1.570 11.883 -6.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.796 9.339 -4.267 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.961 11.570 -4.889 1.00 0.00 H new ATOM 799 N TYR A 53 -0.895 3.241 -6.485 1.00 0.00 N ATOM 800 CA TYR A 53 -1.216 1.832 -6.290 1.00 0.00 C ATOM 801 C TYR A 53 -2.360 1.667 -5.295 1.00 0.00 C ATOM 802 O TYR A 53 -2.546 2.497 -4.405 1.00 0.00 O ATOM 803 CB TYR A 53 0.016 1.071 -5.800 1.00 0.00 C ATOM 804 CG TYR A 53 1.267 1.363 -6.597 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.205 1.590 -7.967 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.511 1.416 -5.980 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.345 1.857 -8.699 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.656 1.684 -6.705 1.00 0.00 C ATOM 809 CZ TYR A 53 3.568 1.905 -8.064 1.00 0.00 C ATOM 810 OH TYR A 53 4.706 2.172 -8.789 1.00 0.00 O ATOM 0 H TYR A 53 -0.610 3.730 -5.637 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.531 1.420 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.195 1.322 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.189 0.001 -5.841 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.249 1.557 -8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.584 1.245 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.279 2.027 -9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.615 1.720 -6.210 1.00 0.00 H new ATOM 0 HH TYR A 53 5.483 2.171 -8.191 1.00 0.00 H new ATOM 820 N GLU A 54 -3.123 0.589 -5.452 1.00 0.00 N ATOM 821 CA GLU A 54 -4.248 0.314 -4.567 1.00 0.00 C ATOM 822 C GLU A 54 -3.902 -0.790 -3.574 1.00 0.00 C ATOM 823 O GLU A 54 -3.700 -1.942 -3.954 1.00 0.00 O ATOM 824 CB GLU A 54 -5.479 -0.085 -5.383 1.00 0.00 C ATOM 825 CG GLU A 54 -6.795 0.188 -4.672 1.00 0.00 C ATOM 826 CD GLU A 54 -7.887 -0.785 -5.070 1.00 0.00 C ATOM 827 OE1 GLU A 54 -8.607 -0.498 -6.051 1.00 0.00 O ATOM 828 OE2 GLU A 54 -8.023 -1.832 -4.404 1.00 0.00 O ATOM 0 H GLU A 54 -2.982 -0.107 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.470 1.223 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.468 0.456 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.418 -1.147 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.640 0.133 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.120 1.204 -4.895 1.00 0.00 H new ATOM 835 N GLY A 55 -3.834 -0.428 -2.296 1.00 0.00 N ATOM 836 CA GLY A 55 -3.512 -1.398 -1.266 1.00 0.00 C ATOM 837 C GLY A 55 -4.470 -1.340 -0.093 1.00 0.00 C ATOM 838 O GLY A 55 -5.080 -0.303 0.168 1.00 0.00 O ATOM 0 H GLY A 55 -3.996 0.520 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.530 -2.399 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.497 -1.222 -0.911 1.00 0.00 H new ATOM 842 N VAL A 56 -4.606 -2.458 0.614 1.00 0.00 N ATOM 843 CA VAL A 56 -5.498 -2.530 1.765 1.00 0.00 C ATOM 844 C VAL A 56 -4.736 -2.309 3.067 1.00 0.00 C ATOM 845 O VAL A 56 -3.914 -3.135 3.464 1.00 0.00 O ATOM 846 CB VAL A 56 -6.221 -3.888 1.831 1.00 0.00 C ATOM 847 CG1 VAL A 56 -7.063 -3.985 3.095 1.00 0.00 C ATOM 848 CG2 VAL A 56 -7.079 -4.095 0.591 1.00 0.00 C ATOM 0 H VAL A 56 -4.110 -3.326 0.410 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.237 -1.738 1.641 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.471 -4.678 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.566 -4.951 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.420 -3.885 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.807 -3.188 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.583 -5.060 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.823 -3.301 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.447 -4.073 -0.297 1.00 0.00 H new ATOM 858 N MET A 57 -5.013 -1.189 3.727 1.00 0.00 N ATOM 859 CA MET A 57 -4.354 -0.861 4.985 1.00 0.00 C ATOM 860 C MET A 57 -5.367 -0.764 6.121 1.00 0.00 C ATOM 861 O MET A 57 -6.197 0.143 6.149 1.00 0.00 O ATOM 862 CB MET A 57 -3.588 0.457 4.856 1.00 0.00 C ATOM 863 CG MET A 57 -2.616 0.709 5.997 1.00 0.00 C ATOM 864 SD MET A 57 -3.398 1.501 7.415 1.00 0.00 S ATOM 865 CE MET A 57 -2.731 3.158 7.288 1.00 0.00 C ATOM 0 H MET A 57 -5.689 -0.494 3.411 1.00 0.00 H new ATOM 0 HA MET A 57 -3.651 -1.661 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.039 0.458 3.915 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.302 1.280 4.809 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.178 -0.238 6.311 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.799 1.336 5.641 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.401 3.859 7.786 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.750 3.193 7.763 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.635 3.432 6.237 1.00 0.00 H new ATOM 875 N ASN A 58 -5.295 -1.706 7.055 1.00 0.00 N ATOM 876 CA ASN A 58 -6.207 -1.727 8.193 1.00 0.00 C ATOM 877 C ASN A 58 -7.640 -1.982 7.736 1.00 0.00 C ATOM 878 O ASN A 58 -8.588 -1.438 8.300 1.00 0.00 O ATOM 879 CB ASN A 58 -6.131 -0.406 8.959 1.00 0.00 C ATOM 880 CG ASN A 58 -6.846 -0.469 10.295 1.00 0.00 C ATOM 881 OD1 ASN A 58 -6.358 -1.085 11.243 1.00 0.00 O ATOM 882 ND2 ASN A 58 -8.006 0.170 10.376 1.00 0.00 N ATOM 0 H ASN A 58 -4.614 -2.465 7.047 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.905 -2.539 8.854 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.086 -0.143 9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.568 0.388 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.532 0.164 11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.372 0.668 9.564 1.00 0.00 H new ATOM 889 N GLY A 59 -7.790 -2.814 6.710 1.00 0.00 N ATOM 890 CA GLY A 59 -9.109 -3.127 6.196 1.00 0.00 C ATOM 891 C GLY A 59 -9.616 -2.079 5.225 1.00 0.00 C ATOM 892 O GLY A 59 -10.362 -2.392 4.295 1.00 0.00 O ATOM 0 H GLY A 59 -7.021 -3.277 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.081 -4.096 5.698 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.808 -3.216 7.028 1.00 0.00 H new ATOM 896 N VAL A 60 -9.214 -0.832 5.440 1.00 0.00 N ATOM 897 CA VAL A 60 -9.632 0.267 4.576 1.00 0.00 C ATOM 898 C VAL A 60 -8.747 0.361 3.338 1.00 0.00 C ATOM 899 O VAL A 60 -7.518 0.370 3.439 1.00 0.00 O ATOM 900 CB VAL A 60 -9.596 1.613 5.324 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.896 2.760 4.372 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.578 1.603 6.486 1.00 0.00 C ATOM 0 H VAL A 60 -8.599 -0.556 6.205 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.657 0.057 4.270 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.594 1.759 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.866 3.703 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.151 2.777 3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.886 2.623 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.539 2.562 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.587 1.435 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.313 0.805 7.180 1.00 0.00 H new ATOM 912 N THR A 61 -9.376 0.433 2.171 1.00 0.00 N ATOM 913 CA THR A 61 -8.646 0.526 0.912 1.00 0.00 C ATOM 914 C THR A 61 -8.796 1.909 0.290 1.00 0.00 C ATOM 915 O THR A 61 -9.859 2.525 0.372 1.00 0.00 O ATOM 916 CB THR A 61 -9.128 -0.534 -0.096 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.201 -1.817 0.536 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.193 -0.606 -1.294 1.00 0.00 C ATOM 0 H THR A 61 -10.391 0.429 2.070 1.00 0.00 H new ATOM 0 HA THR A 61 -7.596 0.347 1.142 1.00 0.00 H new ATOM 0 HB THR A 61 -10.120 -0.246 -0.445 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.614 -2.460 -0.077 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.554 -1.361 -1.992 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.164 0.363 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.191 -0.872 -0.958 1.00 0.00 H new ATOM 926 N GLY A 62 -7.727 2.393 -0.332 1.00 0.00 N ATOM 927 CA GLY A 62 -7.761 3.701 -0.960 1.00 0.00 C ATOM 928 C GLY A 62 -6.552 3.955 -1.838 1.00 0.00 C ATOM 929 O GLY A 62 -5.460 3.456 -1.563 1.00 0.00 O ATOM 0 H GLY A 62 -6.836 1.903 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.667 3.789 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.814 4.469 -0.189 1.00 0.00 H new ATOM 933 N LEU A 63 -6.745 4.734 -2.897 1.00 0.00 N ATOM 934 CA LEU A 63 -5.661 5.052 -3.820 1.00 0.00 C ATOM 935 C LEU A 63 -4.595 5.901 -3.134 1.00 0.00 C ATOM 936 O LEU A 63 -4.909 6.855 -2.423 1.00 0.00 O ATOM 937 CB LEU A 63 -6.206 5.790 -5.043 1.00 0.00 C ATOM 938 CG LEU A 63 -6.965 4.934 -6.060 1.00 0.00 C ATOM 939 CD1 LEU A 63 -6.050 3.874 -6.653 1.00 0.00 C ATOM 940 CD2 LEU A 63 -8.181 4.290 -5.410 1.00 0.00 C ATOM 0 H LEU A 63 -7.642 5.157 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.204 4.116 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.870 6.583 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.372 6.272 -5.554 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.309 5.580 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.606 3.275 -7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.211 4.357 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.676 3.230 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.710 3.685 -6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.859 3.656 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.847 5.067 -5.034 1.00 0.00 H new ATOM 952 N PHE A 64 -3.333 5.546 -3.354 1.00 0.00 N ATOM 953 CA PHE A 64 -2.219 6.276 -2.759 1.00 0.00 C ATOM 954 C PHE A 64 -1.068 6.415 -3.750 1.00 0.00 C ATOM 955 O PHE A 64 -0.839 5.552 -4.599 1.00 0.00 O ATOM 956 CB PHE A 64 -1.735 5.567 -1.493 1.00 0.00 C ATOM 957 CG PHE A 64 -1.088 4.237 -1.761 1.00 0.00 C ATOM 958 CD1 PHE A 64 0.272 4.152 -2.006 1.00 0.00 C ATOM 959 CD2 PHE A 64 -1.842 3.075 -1.767 1.00 0.00 C ATOM 960 CE1 PHE A 64 0.871 2.930 -2.252 1.00 0.00 C ATOM 961 CE2 PHE A 64 -1.249 1.851 -2.013 1.00 0.00 C ATOM 962 CZ PHE A 64 0.109 1.779 -2.257 1.00 0.00 C ATOM 0 H PHE A 64 -3.056 4.758 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.570 7.274 -2.496 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.024 6.210 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.581 5.422 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.872 5.050 -2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.904 3.126 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.933 2.876 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.847 0.951 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.574 0.824 -2.451 1.00 0.00 H new ATOM 972 N PRO A 65 -0.322 7.524 -3.640 1.00 0.00 N ATOM 973 CA PRO A 65 0.818 7.802 -4.518 1.00 0.00 C ATOM 974 C PRO A 65 1.995 6.869 -4.253 1.00 0.00 C ATOM 975 O PRO A 65 2.388 6.661 -3.105 1.00 0.00 O ATOM 976 CB PRO A 65 1.191 9.245 -4.169 1.00 0.00 C ATOM 977 CG PRO A 65 0.703 9.435 -2.774 1.00 0.00 C ATOM 978 CD PRO A 65 -0.536 8.593 -2.651 1.00 0.00 C ATOM 0 HA PRO A 65 0.569 7.654 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.267 9.403 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.721 9.952 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.458 9.126 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.483 10.484 -2.577 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.651 8.192 -1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.436 9.168 -2.869 1.00 0.00 H new ATOM 986 N GLY A 66 2.553 6.309 -5.321 1.00 0.00 N ATOM 987 CA GLY A 66 3.679 5.404 -5.183 1.00 0.00 C ATOM 988 C GLY A 66 4.954 6.122 -4.785 1.00 0.00 C ATOM 989 O GLY A 66 5.952 5.487 -4.444 1.00 0.00 O ATOM 0 H GLY A 66 2.245 6.466 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.443 4.647 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.839 4.881 -6.126 1.00 0.00 H new ATOM 993 N ASN A 67 4.921 7.449 -4.829 1.00 0.00 N ATOM 994 CA ASN A 67 6.084 8.255 -4.473 1.00 0.00 C ATOM 995 C ASN A 67 6.218 8.377 -2.958 1.00 0.00 C ATOM 996 O ASN A 67 7.320 8.534 -2.432 1.00 0.00 O ATOM 997 CB ASN A 67 5.979 9.647 -5.100 1.00 0.00 C ATOM 998 CG ASN A 67 7.266 10.439 -4.970 1.00 0.00 C ATOM 999 OD1 ASN A 67 8.358 9.905 -5.164 1.00 0.00 O ATOM 1000 ND2 ASN A 67 7.141 11.718 -4.641 1.00 0.00 N ATOM 0 H ASN A 67 4.102 7.990 -5.107 1.00 0.00 H new ATOM 0 HA ASN A 67 6.972 7.756 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.721 9.549 -6.154 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.168 10.197 -4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.971 12.302 -4.539 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.215 12.118 -4.490 1.00 0.00 H new ATOM 1007 N TYR A 68 5.089 8.302 -2.262 1.00 0.00 N ATOM 1008 CA TYR A 68 5.080 8.403 -0.808 1.00 0.00 C ATOM 1009 C TYR A 68 5.251 7.032 -0.163 1.00 0.00 C ATOM 1010 O TYR A 68 4.901 6.832 1.000 1.00 0.00 O ATOM 1011 CB TYR A 68 3.775 9.044 -0.330 1.00 0.00 C ATOM 1012 CG TYR A 68 3.668 10.517 -0.657 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.538 10.949 -1.972 1.00 0.00 C ATOM 1014 CD2 TYR A 68 3.697 11.476 0.347 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.440 12.293 -2.275 1.00 0.00 C ATOM 1016 CE2 TYR A 68 3.597 12.822 0.053 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.470 13.225 -1.259 1.00 0.00 C ATOM 1018 OH TYR A 68 3.374 14.565 -1.557 1.00 0.00 O ATOM 0 H TYR A 68 4.168 8.172 -2.682 1.00 0.00 H new ATOM 0 HA TYR A 68 5.919 9.031 -0.508 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.935 8.518 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.689 8.913 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.513 10.222 -2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.800 11.164 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.340 12.612 -3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.618 13.554 0.847 1.00 0.00 H new ATOM 0 HH TYR A 68 3.410 15.088 -0.729 1.00 0.00 H new ATOM 1028 N VAL A 69 5.795 6.090 -0.928 1.00 0.00 N ATOM 1029 CA VAL A 69 6.016 4.737 -0.433 1.00 0.00 C ATOM 1030 C VAL A 69 7.373 4.204 -0.878 1.00 0.00 C ATOM 1031 O VAL A 69 8.113 4.881 -1.590 1.00 0.00 O ATOM 1032 CB VAL A 69 4.915 3.775 -0.918 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.609 4.045 -0.186 1.00 0.00 C ATOM 1034 CG2 VAL A 69 4.728 3.895 -2.421 1.00 0.00 C ATOM 0 H VAL A 69 6.090 6.240 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 69 5.989 4.790 0.655 1.00 0.00 H new ATOM 0 HB VAL A 69 5.224 2.754 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.843 3.356 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.756 3.903 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.291 5.070 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.946 3.208 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.441 4.916 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.662 3.647 -2.925 1.00 0.00 H new ATOM 1044 N GLU A 70 7.692 2.985 -0.453 1.00 0.00 N ATOM 1045 CA GLU A 70 8.962 2.362 -0.808 1.00 0.00 C ATOM 1046 C GLU A 70 8.788 0.862 -1.027 1.00 0.00 C ATOM 1047 O GLU A 70 7.816 0.263 -0.563 1.00 0.00 O ATOM 1048 CB GLU A 70 10.002 2.612 0.285 1.00 0.00 C ATOM 1049 CG GLU A 70 11.437 2.471 -0.196 1.00 0.00 C ATOM 1050 CD GLU A 70 11.873 1.024 -0.315 1.00 0.00 C ATOM 1051 OE1 GLU A 70 11.729 0.277 0.675 1.00 0.00 O ATOM 1052 OE2 GLU A 70 12.358 0.640 -1.400 1.00 0.00 O ATOM 0 H GLU A 70 7.090 2.410 0.136 1.00 0.00 H new ATOM 0 HA GLU A 70 9.310 2.810 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.860 3.615 0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.832 1.913 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.541 2.959 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.101 2.991 0.495 1.00 0.00 H new ATOM 1059 N SER A 71 9.738 0.259 -1.736 1.00 0.00 N ATOM 1060 CA SER A 71 9.689 -1.170 -2.019 1.00 0.00 C ATOM 1061 C SER A 71 10.675 -1.933 -1.139 1.00 0.00 C ATOM 1062 O SER A 71 11.890 -1.775 -1.267 1.00 0.00 O ATOM 1063 CB SER A 71 10.000 -1.429 -3.494 1.00 0.00 C ATOM 1064 OG SER A 71 8.872 -1.156 -4.308 1.00 0.00 O ATOM 0 H SER A 71 10.550 0.738 -2.124 1.00 0.00 H new ATOM 0 HA SER A 71 8.682 -1.525 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.838 -0.806 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.307 -2.466 -3.628 1.00 0.00 H new ATOM 0 HG SER A 71 9.097 -1.328 -5.246 1.00 0.00 H new ATOM 1070 N ILE A 72 10.144 -2.760 -0.246 1.00 0.00 N ATOM 1071 CA ILE A 72 10.976 -3.548 0.656 1.00 0.00 C ATOM 1072 C ILE A 72 10.934 -5.028 0.290 1.00 0.00 C ATOM 1073 O ILE A 72 11.906 -5.756 0.490 1.00 0.00 O ATOM 1074 CB ILE A 72 10.534 -3.381 2.121 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.047 -3.713 2.269 1.00 0.00 C ATOM 1076 CG2 ILE A 72 10.817 -1.966 2.602 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.594 -3.831 3.707 1.00 0.00 C ATOM 0 H ILE A 72 9.141 -2.902 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 72 11.996 -3.178 0.549 1.00 0.00 H new ATOM 0 HB ILE A 72 11.105 -4.074 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.460 -2.940 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.839 -4.650 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.499 -1.864 3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.886 -1.764 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 72 10.270 -1.255 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.530 -4.068 3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.155 -4.624 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.769 -2.887 4.222 1.00 0.00 H new ATOM 1089 N SER A 73 9.803 -5.466 -0.251 1.00 0.00 N ATOM 1090 CA SER A 73 9.632 -6.860 -0.644 1.00 0.00 C ATOM 1091 C SER A 73 9.828 -7.027 -2.149 1.00 0.00 C ATOM 1092 O SER A 73 8.969 -6.650 -2.944 1.00 0.00 O ATOM 1093 CB SER A 73 8.244 -7.360 -0.241 1.00 0.00 C ATOM 1094 OG SER A 73 8.024 -8.682 -0.704 1.00 0.00 O ATOM 0 H SER A 73 8.990 -4.876 -0.428 1.00 0.00 H new ATOM 0 HA SER A 73 10.387 -7.453 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.144 -7.330 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.482 -6.696 -0.650 1.00 0.00 H new ATOM 0 HG SER A 73 7.131 -8.979 -0.432 1.00 0.00 H new ATOM 1100 N GLY A 74 10.967 -7.598 -2.530 1.00 0.00 N ATOM 1101 CA GLY A 74 11.257 -7.805 -3.938 1.00 0.00 C ATOM 1102 C GLY A 74 12.730 -7.643 -4.257 1.00 0.00 C ATOM 1103 O GLY A 74 13.583 -7.647 -3.369 1.00 0.00 O ATOM 0 H GLY A 74 11.693 -7.921 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.933 -8.804 -4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.680 -7.097 -4.533 1.00 0.00 H new ATOM 1107 N PRO A 75 13.047 -7.501 -5.552 1.00 0.00 N ATOM 1108 CA PRO A 75 14.428 -7.335 -6.015 1.00 0.00 C ATOM 1109 C PRO A 75 15.014 -5.984 -5.621 1.00 0.00 C ATOM 1110 O PRO A 75 16.186 -5.707 -5.874 1.00 0.00 O ATOM 1111 CB PRO A 75 14.306 -7.442 -7.538 1.00 0.00 C ATOM 1112 CG PRO A 75 12.906 -7.029 -7.836 1.00 0.00 C ATOM 1113 CD PRO A 75 12.081 -7.487 -6.663 1.00 0.00 C ATOM 0 HA PRO A 75 15.097 -8.074 -5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.025 -6.794 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.500 -8.458 -7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.837 -5.949 -7.964 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.554 -7.483 -8.762 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.251 -6.808 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.651 -8.474 -6.835 1.00 0.00 H new ATOM 1121 N SER A 76 14.192 -5.146 -4.998 1.00 0.00 N ATOM 1122 CA SER A 76 14.628 -3.821 -4.571 1.00 0.00 C ATOM 1123 C SER A 76 16.008 -3.886 -3.924 1.00 0.00 C ATOM 1124 O SER A 76 16.177 -4.473 -2.855 1.00 0.00 O ATOM 1125 CB SER A 76 13.620 -3.221 -3.590 1.00 0.00 C ATOM 1126 OG SER A 76 13.764 -1.813 -3.507 1.00 0.00 O ATOM 0 H SER A 76 13.220 -5.361 -4.777 1.00 0.00 H new ATOM 0 HA SER A 76 14.689 -3.184 -5.453 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.607 -3.468 -3.908 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.761 -3.663 -2.604 1.00 0.00 H new ATOM 0 HG SER A 76 13.204 -1.469 -2.780 1.00 0.00 H new ATOM 1132 N SER A 77 16.992 -3.280 -4.581 1.00 0.00 N ATOM 1133 CA SER A 77 18.359 -3.273 -4.072 1.00 0.00 C ATOM 1134 C SER A 77 18.374 -3.075 -2.560 1.00 0.00 C ATOM 1135 O SER A 77 19.116 -3.745 -1.843 1.00 0.00 O ATOM 1136 CB SER A 77 19.170 -2.167 -4.751 1.00 0.00 C ATOM 1137 OG SER A 77 20.541 -2.520 -4.836 1.00 0.00 O ATOM 0 H SER A 77 16.869 -2.788 -5.466 1.00 0.00 H new ATOM 0 HA SER A 77 18.812 -4.238 -4.298 1.00 0.00 H new ATOM 0 HB2 SER A 77 18.776 -1.984 -5.750 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.064 -1.238 -4.191 1.00 0.00 H new ATOM 0 HG SER A 77 21.038 -1.798 -5.275 1.00 0.00 H new ATOM 1143 N GLY A 78 17.549 -2.149 -2.081 1.00 0.00 N ATOM 1144 CA GLY A 78 17.483 -1.880 -0.656 1.00 0.00 C ATOM 1145 C GLY A 78 18.805 -1.396 -0.096 1.00 0.00 C ATOM 1146 O GLY A 78 19.127 -0.210 -0.183 1.00 0.00 O ATOM 0 H GLY A 78 16.925 -1.580 -2.654 1.00 0.00 H new ATOM 0 HA2 GLY A 78 16.715 -1.130 -0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.180 -2.786 -0.132 1.00 0.00 H new TER 1150 GLY A 78