USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 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 18 GLN : amide:sc= -2.86 X(o=-4.2,f=-4.4) USER MOD Set 1.2: A 20 THR OG1 : rot 3:sc= -1.35 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.084 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -54:sc= 0.342 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 43:sc= -0.0259 USER MOD Single : A 41 GLN : amide:sc= -0.443 K(o=-0.44,f=-3.2!) USER MOD Single : A 45 SER OG : rot 0:sc= 0.874 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.195 F(o=-0.89,f=-0.19) USER MOD Single : A 56 GLN : amide:sc= -2.74! C(o=-2.7!,f=-3.9!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.7!) USER MOD Single : A 64 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.55 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.157 F(o=-0.8,f=-0.16) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.542 8.156 34.802 1.00 0.00 N ATOM 2 CA GLY A 1 26.560 8.865 34.002 1.00 0.00 C ATOM 3 C GLY A 1 26.271 8.168 32.688 1.00 0.00 C ATOM 4 O GLY A 1 26.710 7.040 32.466 1.00 0.00 O ATOM 0 H1 GLY A 1 27.091 7.799 35.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.924 7.358 34.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.316 8.803 35.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.635 8.962 34.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.919 9.875 33.803 1.00 0.00 H new ATOM 8 N SER A 2 25.529 8.841 31.813 1.00 0.00 N ATOM 9 CA SER A 2 25.178 8.277 30.516 1.00 0.00 C ATOM 10 C SER A 2 25.021 9.377 29.470 1.00 0.00 C ATOM 11 O SER A 2 24.356 10.385 29.708 1.00 0.00 O ATOM 12 CB SER A 2 23.882 7.470 30.621 1.00 0.00 C ATOM 13 OG SER A 2 23.540 6.891 29.374 1.00 0.00 O ATOM 0 H SER A 2 25.160 9.777 31.980 1.00 0.00 H new ATOM 0 HA SER A 2 25.986 7.615 30.205 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.997 6.687 31.370 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.073 8.118 30.959 1.00 0.00 H new ATOM 0 HG SER A 2 22.709 6.379 29.468 1.00 0.00 H new ATOM 19 N SER A 3 25.640 9.175 28.311 1.00 0.00 N ATOM 20 CA SER A 3 25.574 10.151 27.229 1.00 0.00 C ATOM 21 C SER A 3 24.366 9.888 26.334 1.00 0.00 C ATOM 22 O SER A 3 23.824 8.784 26.312 1.00 0.00 O ATOM 23 CB SER A 3 26.858 10.110 26.398 1.00 0.00 C ATOM 24 OG SER A 3 27.929 10.737 27.082 1.00 0.00 O ATOM 0 H SER A 3 26.193 8.345 28.097 1.00 0.00 H new ATOM 0 HA SER A 3 25.468 11.142 27.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.119 9.075 26.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.692 10.607 25.442 1.00 0.00 H new ATOM 0 HG SER A 3 28.738 10.696 26.531 1.00 0.00 H new ATOM 30 N GLY A 4 23.950 10.914 25.597 1.00 0.00 N ATOM 31 CA GLY A 4 22.810 10.775 24.710 1.00 0.00 C ATOM 32 C GLY A 4 23.106 11.260 23.305 1.00 0.00 C ATOM 33 O GLY A 4 24.230 11.658 23.002 1.00 0.00 O ATOM 0 H GLY A 4 24.382 11.838 25.599 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.507 9.728 24.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.968 11.336 25.115 1.00 0.00 H new ATOM 37 N SER A 5 22.094 11.226 22.443 1.00 0.00 N ATOM 38 CA SER A 5 22.253 11.660 21.060 1.00 0.00 C ATOM 39 C SER A 5 23.319 10.832 20.349 1.00 0.00 C ATOM 40 O SER A 5 24.146 11.367 19.612 1.00 0.00 O ATOM 41 CB SER A 5 22.625 13.143 21.009 1.00 0.00 C ATOM 42 OG SER A 5 22.565 13.639 19.683 1.00 0.00 O ATOM 0 H SER A 5 21.156 10.902 22.678 1.00 0.00 H new ATOM 0 HA SER A 5 21.302 11.513 20.547 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.948 13.713 21.645 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.630 13.283 21.408 1.00 0.00 H new ATOM 0 HG SER A 5 23.117 13.078 19.099 1.00 0.00 H new ATOM 48 N SER A 6 23.291 9.523 20.577 1.00 0.00 N ATOM 49 CA SER A 6 24.257 8.620 19.963 1.00 0.00 C ATOM 50 C SER A 6 23.632 7.253 19.700 1.00 0.00 C ATOM 51 O SER A 6 22.938 6.701 20.553 1.00 0.00 O ATOM 52 CB SER A 6 25.487 8.467 20.859 1.00 0.00 C ATOM 53 OG SER A 6 25.206 7.635 21.972 1.00 0.00 O ATOM 0 H SER A 6 22.610 9.064 21.182 1.00 0.00 H new ATOM 0 HA SER A 6 24.563 9.050 19.009 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.310 8.044 20.283 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.812 9.448 21.207 1.00 0.00 H new ATOM 0 HG SER A 6 26.008 7.551 22.529 1.00 0.00 H new ATOM 59 N GLY A 7 23.883 6.712 18.511 1.00 0.00 N ATOM 60 CA GLY A 7 23.338 5.415 18.156 1.00 0.00 C ATOM 61 C GLY A 7 24.200 4.681 17.148 1.00 0.00 C ATOM 62 O GLY A 7 24.774 3.638 17.457 1.00 0.00 O ATOM 0 H GLY A 7 24.454 7.149 17.788 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.239 4.807 19.055 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.336 5.545 17.747 1.00 0.00 H new ATOM 66 N GLU A 8 24.288 5.226 15.939 1.00 0.00 N ATOM 67 CA GLU A 8 25.084 4.613 14.882 1.00 0.00 C ATOM 68 C GLU A 8 24.847 3.107 14.826 1.00 0.00 C ATOM 69 O GLU A 8 25.781 2.326 14.647 1.00 0.00 O ATOM 70 CB GLU A 8 26.571 4.898 15.102 1.00 0.00 C ATOM 71 CG GLU A 8 27.424 4.675 13.864 1.00 0.00 C ATOM 72 CD GLU A 8 28.827 5.230 14.014 1.00 0.00 C ATOM 73 OE1 GLU A 8 28.959 6.440 14.296 1.00 0.00 O ATOM 74 OE2 GLU A 8 29.793 4.456 13.850 1.00 0.00 O ATOM 0 H GLU A 8 23.819 6.090 15.667 1.00 0.00 H new ATOM 0 HA GLU A 8 24.775 5.048 13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 8 26.689 5.930 15.433 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.939 4.261 15.906 1.00 0.00 H new ATOM 0 HG2 GLU A 8 27.480 3.607 13.654 1.00 0.00 H new ATOM 0 HG3 GLU A 8 26.942 5.144 13.006 1.00 0.00 H new ATOM 81 N GLY A 9 23.589 2.705 14.981 1.00 0.00 N ATOM 82 CA GLY A 9 23.250 1.295 14.946 1.00 0.00 C ATOM 83 C GLY A 9 21.855 1.020 15.471 1.00 0.00 C ATOM 84 O GLY A 9 21.607 1.112 16.673 1.00 0.00 O ATOM 0 H GLY A 9 22.798 3.332 15.130 1.00 0.00 H new ATOM 0 HA2 GLY A 9 23.327 0.931 13.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 23.974 0.736 15.538 1.00 0.00 H new ATOM 88 N ASP A 10 20.941 0.684 14.567 1.00 0.00 N ATOM 89 CA ASP A 10 19.562 0.396 14.945 1.00 0.00 C ATOM 90 C ASP A 10 19.028 -0.808 14.176 1.00 0.00 C ATOM 91 O ASP A 10 19.453 -1.100 13.058 1.00 0.00 O ATOM 92 CB ASP A 10 18.675 1.615 14.688 1.00 0.00 C ATOM 93 CG ASP A 10 18.584 1.965 13.216 1.00 0.00 C ATOM 94 OD1 ASP A 10 18.256 1.069 12.412 1.00 0.00 O ATOM 95 OD2 ASP A 10 18.841 3.137 12.869 1.00 0.00 O ATOM 0 H ASP A 10 21.130 0.604 13.568 1.00 0.00 H new ATOM 0 HA ASP A 10 19.545 0.162 16.009 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.675 1.421 15.075 1.00 0.00 H new ATOM 0 HB3 ASP A 10 19.069 2.470 15.238 1.00 0.00 H new ATOM 100 N PRO A 11 18.074 -1.527 14.787 1.00 0.00 N ATOM 101 CA PRO A 11 17.462 -2.711 14.178 1.00 0.00 C ATOM 102 C PRO A 11 16.572 -2.358 12.991 1.00 0.00 C ATOM 103 O PRO A 11 16.488 -1.198 12.591 1.00 0.00 O ATOM 104 CB PRO A 11 16.626 -3.303 15.316 1.00 0.00 C ATOM 105 CG PRO A 11 16.326 -2.147 16.206 1.00 0.00 C ATOM 106 CD PRO A 11 17.520 -1.237 16.121 1.00 0.00 C ATOM 0 HA PRO A 11 18.209 -3.396 13.779 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.711 -3.760 14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 11 17.175 -4.080 15.848 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.420 -1.633 15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.159 -2.477 17.231 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.235 -0.189 16.219 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.242 -1.446 16.910 1.00 0.00 H new ATOM 114 N GLU A 12 15.910 -3.367 12.434 1.00 0.00 N ATOM 115 CA GLU A 12 15.027 -3.162 11.292 1.00 0.00 C ATOM 116 C GLU A 12 13.593 -3.556 11.635 1.00 0.00 C ATOM 117 O GLU A 12 13.223 -4.726 11.552 1.00 0.00 O ATOM 118 CB GLU A 12 15.516 -3.971 10.089 1.00 0.00 C ATOM 119 CG GLU A 12 16.938 -3.640 9.670 1.00 0.00 C ATOM 120 CD GLU A 12 17.257 -4.109 8.264 1.00 0.00 C ATOM 121 OE1 GLU A 12 16.854 -5.237 7.909 1.00 0.00 O ATOM 122 OE2 GLU A 12 17.909 -3.348 7.519 1.00 0.00 O ATOM 0 H GLU A 12 15.968 -4.334 12.755 1.00 0.00 H new ATOM 0 HA GLU A 12 15.043 -2.102 11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.454 -5.033 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.847 -3.794 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.089 -2.562 9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.635 -4.101 10.370 1.00 0.00 H new ATOM 129 N ASN A 13 12.791 -2.569 12.022 1.00 0.00 N ATOM 130 CA ASN A 13 11.398 -2.812 12.379 1.00 0.00 C ATOM 131 C ASN A 13 10.483 -1.772 11.740 1.00 0.00 C ATOM 132 O ASN A 13 10.293 -0.682 12.278 1.00 0.00 O ATOM 133 CB ASN A 13 11.229 -2.791 13.899 1.00 0.00 C ATOM 134 CG ASN A 13 9.781 -2.948 14.322 1.00 0.00 C ATOM 135 OD1 ASN A 13 9.250 -2.131 15.075 1.00 0.00 O ATOM 136 ND2 ASN A 13 9.134 -4.002 13.838 1.00 0.00 N ATOM 0 H ASN A 13 13.082 -1.594 12.096 1.00 0.00 H new ATOM 0 HA ASN A 13 11.119 -3.796 12.002 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.822 -3.593 14.339 1.00 0.00 H new ATOM 0 HB3 ASN A 13 11.620 -1.853 14.292 1.00 0.00 H new ATOM 0 HD21 ASN A 13 8.158 -4.160 14.087 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.613 -4.654 13.217 1.00 0.00 H new ATOM 143 N GLY A 14 9.918 -2.117 10.587 1.00 0.00 N ATOM 144 CA GLY A 14 9.029 -1.203 9.893 1.00 0.00 C ATOM 145 C GLY A 14 7.735 -0.968 10.647 1.00 0.00 C ATOM 146 O GLY A 14 7.518 -1.544 11.713 1.00 0.00 O ATOM 0 H GLY A 14 10.060 -3.013 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.537 -0.250 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.802 -1.602 8.904 1.00 0.00 H new ATOM 150 N GLU A 15 6.875 -0.119 10.094 1.00 0.00 N ATOM 151 CA GLU A 15 5.598 0.192 10.724 1.00 0.00 C ATOM 152 C GLU A 15 4.487 0.289 9.682 1.00 0.00 C ATOM 153 O GLU A 15 4.747 0.509 8.499 1.00 0.00 O ATOM 154 CB GLU A 15 5.695 1.504 11.505 1.00 0.00 C ATOM 155 CG GLU A 15 4.345 2.071 11.913 1.00 0.00 C ATOM 156 CD GLU A 15 4.471 3.306 12.785 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.514 3.457 13.454 1.00 0.00 O ATOM 158 OE2 GLU A 15 3.525 4.121 12.796 1.00 0.00 O ATOM 0 H GLU A 15 7.039 0.365 9.212 1.00 0.00 H new ATOM 0 HA GLU A 15 5.356 -0.616 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.296 1.341 12.399 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.220 2.241 10.897 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.774 2.319 11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.782 1.308 12.450 1.00 0.00 H new ATOM 165 N LYS A 16 3.247 0.123 10.130 1.00 0.00 N ATOM 166 CA LYS A 16 2.095 0.192 9.239 1.00 0.00 C ATOM 167 C LYS A 16 1.716 1.641 8.951 1.00 0.00 C ATOM 168 O LYS A 16 1.383 2.399 9.862 1.00 0.00 O ATOM 169 CB LYS A 16 0.903 -0.545 9.855 1.00 0.00 C ATOM 170 CG LYS A 16 1.132 -2.037 10.022 1.00 0.00 C ATOM 171 CD LYS A 16 -0.182 -2.800 10.068 1.00 0.00 C ATOM 172 CE LYS A 16 -0.814 -2.737 11.450 1.00 0.00 C ATOM 173 NZ LYS A 16 -2.025 -3.598 11.545 1.00 0.00 N ATOM 0 H LYS A 16 3.014 -0.060 11.106 1.00 0.00 H new ATOM 0 HA LYS A 16 2.365 -0.288 8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.680 -0.109 10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.026 -0.388 9.227 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.740 -2.407 9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.693 -2.220 10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.871 -2.385 9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.010 -3.840 9.792 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.085 -3.051 12.197 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.082 -1.706 11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.427 -3.528 12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.731 -3.283 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.765 -4.586 11.350 1.00 0.00 H new ATOM 187 N LEU A 17 1.768 2.019 7.678 1.00 0.00 N ATOM 188 CA LEU A 17 1.429 3.378 7.269 1.00 0.00 C ATOM 189 C LEU A 17 0.386 3.367 6.157 1.00 0.00 C ATOM 190 O LEU A 17 0.379 2.475 5.309 1.00 0.00 O ATOM 191 CB LEU A 17 2.682 4.119 6.802 1.00 0.00 C ATOM 192 CG LEU A 17 3.872 4.099 7.763 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.181 4.168 6.993 1.00 0.00 C ATOM 194 CD2 LEU A 17 3.774 5.247 8.757 1.00 0.00 C ATOM 0 H LEU A 17 2.042 1.404 6.912 1.00 0.00 H new ATOM 0 HA LEU A 17 1.009 3.896 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.001 3.690 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.414 5.158 6.609 1.00 0.00 H new ATOM 0 HG LEU A 17 3.850 3.161 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.016 4.153 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.254 3.312 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.213 5.089 6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.629 5.217 9.433 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.770 6.195 8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.853 5.152 9.332 1.00 0.00 H new ATOM 206 N GLN A 18 -0.492 4.365 6.166 1.00 0.00 N ATOM 207 CA GLN A 18 -1.538 4.471 5.156 1.00 0.00 C ATOM 208 C GLN A 18 -1.137 5.447 4.055 1.00 0.00 C ATOM 209 O GLN A 18 -0.414 6.413 4.303 1.00 0.00 O ATOM 210 CB GLN A 18 -2.853 4.919 5.797 1.00 0.00 C ATOM 211 CG GLN A 18 -4.010 5.007 4.816 1.00 0.00 C ATOM 212 CD GLN A 18 -5.091 5.966 5.273 1.00 0.00 C ATOM 213 OE1 GLN A 18 -5.209 7.079 4.759 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.889 5.539 6.245 1.00 0.00 N ATOM 0 H GLN A 18 -0.500 5.111 6.861 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.676 3.486 4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.115 4.222 6.593 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.707 5.894 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.634 5.326 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.443 4.016 4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.756 4.609 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.635 6.141 6.594 1.00 0.00 H new ATOM 223 N ILE A 19 -1.609 5.189 2.841 1.00 0.00 N ATOM 224 CA ILE A 19 -1.299 6.047 1.703 1.00 0.00 C ATOM 225 C ILE A 19 -2.560 6.400 0.922 1.00 0.00 C ATOM 226 O ILE A 19 -3.088 5.581 0.169 1.00 0.00 O ATOM 227 CB ILE A 19 -0.290 5.377 0.752 1.00 0.00 C ATOM 228 CG1 ILE A 19 1.004 5.045 1.498 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.004 6.281 -0.438 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.711 6.261 2.053 1.00 0.00 C ATOM 0 H ILE A 19 -2.207 4.393 2.619 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.857 6.958 2.105 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.723 4.448 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.777 4.362 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.679 4.520 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.711 5.794 -1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.930 6.473 -0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.412 7.225 -0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.620 5.950 2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.970 6.936 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.054 6.775 2.754 1.00 0.00 H new ATOM 242 N THR A 20 -3.038 7.627 1.103 1.00 0.00 N ATOM 243 CA THR A 20 -4.236 8.091 0.415 1.00 0.00 C ATOM 244 C THR A 20 -3.891 8.709 -0.934 1.00 0.00 C ATOM 245 O THR A 20 -3.175 9.708 -1.005 1.00 0.00 O ATOM 246 CB THR A 20 -5.005 9.125 1.260 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.320 8.573 2.543 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.284 9.553 0.558 1.00 0.00 C ATOM 0 H THR A 20 -2.613 8.318 1.721 1.00 0.00 H new ATOM 0 HA THR A 20 -4.869 7.217 0.260 1.00 0.00 H new ATOM 0 HB THR A 20 -4.370 10.001 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.941 7.672 2.613 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.810 10.283 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.038 10.000 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.922 8.683 0.402 1.00 0.00 H new ATOM 256 N ILE A 21 -4.404 8.110 -2.003 1.00 0.00 N ATOM 257 CA ILE A 21 -4.151 8.604 -3.351 1.00 0.00 C ATOM 258 C ILE A 21 -5.376 9.315 -3.915 1.00 0.00 C ATOM 259 O ILE A 21 -6.511 8.988 -3.568 1.00 0.00 O ATOM 260 CB ILE A 21 -3.751 7.461 -4.303 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.588 6.661 -3.715 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.381 8.017 -5.670 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.394 5.309 -4.366 1.00 0.00 C ATOM 0 H ILE A 21 -4.998 7.282 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.325 9.312 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.603 6.792 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.670 7.240 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.757 6.520 -2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.101 7.198 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.235 8.547 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.542 8.705 -5.568 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.552 4.798 -3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.297 4.712 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.193 5.442 -5.429 1.00 0.00 H new ATOM 275 N ARG A 22 -5.138 10.289 -4.787 1.00 0.00 N ATOM 276 CA ARG A 22 -6.223 11.047 -5.400 1.00 0.00 C ATOM 277 C ARG A 22 -6.228 10.860 -6.915 1.00 0.00 C ATOM 278 O ARG A 22 -5.234 11.133 -7.587 1.00 0.00 O ATOM 279 CB ARG A 22 -6.091 12.533 -5.060 1.00 0.00 C ATOM 280 CG ARG A 22 -6.667 12.900 -3.702 1.00 0.00 C ATOM 281 CD ARG A 22 -6.883 14.400 -3.575 1.00 0.00 C ATOM 282 NE ARG A 22 -5.625 15.120 -3.393 1.00 0.00 N ATOM 283 CZ ARG A 22 -5.550 16.435 -3.221 1.00 0.00 C ATOM 284 NH1 ARG A 22 -6.654 17.169 -3.207 1.00 0.00 N ATOM 285 NH2 ARG A 22 -4.368 17.018 -3.062 1.00 0.00 N ATOM 0 H ARG A 22 -4.204 10.572 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.165 10.672 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.037 12.811 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.594 13.119 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.614 12.381 -3.555 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.993 12.561 -2.916 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.387 14.771 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.542 14.601 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.757 14.584 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.564 16.724 -3.328 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.594 18.179 -3.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.517 16.456 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.311 18.028 -2.930 1.00 0.00 H new ATOM 299 N ARG A 23 -7.354 10.393 -7.444 1.00 0.00 N ATOM 300 CA ARG A 23 -7.488 10.168 -8.878 1.00 0.00 C ATOM 301 C ARG A 23 -6.751 11.245 -9.669 1.00 0.00 C ATOM 302 O ARG A 23 -7.180 12.397 -9.719 1.00 0.00 O ATOM 303 CB ARG A 23 -8.965 10.149 -9.277 1.00 0.00 C ATOM 304 CG ARG A 23 -9.220 9.519 -10.636 1.00 0.00 C ATOM 305 CD ARG A 23 -10.695 9.567 -11.005 1.00 0.00 C ATOM 306 NE ARG A 23 -10.928 9.160 -12.388 1.00 0.00 N ATOM 307 CZ ARG A 23 -12.022 9.473 -13.072 1.00 0.00 C ATOM 308 NH1 ARG A 23 -12.979 10.194 -12.504 1.00 0.00 N ATOM 309 NH2 ARG A 23 -12.161 9.065 -14.327 1.00 0.00 N ATOM 0 H ARG A 23 -8.186 10.163 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.043 9.201 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.530 9.603 -8.521 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.344 11.171 -9.283 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.637 10.040 -11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.879 8.484 -10.628 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.257 8.915 -10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.073 10.579 -10.857 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.211 8.605 -12.854 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.876 10.509 -11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.819 10.433 -13.032 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.427 8.510 -14.767 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.002 9.306 -14.851 1.00 0.00 H new ATOM 323 N GLY A 24 -5.637 10.861 -10.286 1.00 0.00 N ATOM 324 CA GLY A 24 -4.858 11.805 -11.065 1.00 0.00 C ATOM 325 C GLY A 24 -5.409 11.998 -12.464 1.00 0.00 C ATOM 326 O GLY A 24 -6.530 11.582 -12.760 1.00 0.00 O ATOM 0 H GLY A 24 -5.261 9.913 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.837 12.766 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.828 11.455 -11.129 1.00 0.00 H new ATOM 330 N LYS A 25 -4.622 12.632 -13.326 1.00 0.00 N ATOM 331 CA LYS A 25 -5.038 12.880 -14.702 1.00 0.00 C ATOM 332 C LYS A 25 -5.407 11.576 -15.402 1.00 0.00 C ATOM 333 O LYS A 25 -6.300 11.547 -16.249 1.00 0.00 O ATOM 334 CB LYS A 25 -3.921 13.587 -15.473 1.00 0.00 C ATOM 335 CG LYS A 25 -2.611 12.819 -15.488 1.00 0.00 C ATOM 336 CD LYS A 25 -1.709 13.277 -16.621 1.00 0.00 C ATOM 337 CE LYS A 25 -0.547 12.318 -16.832 1.00 0.00 C ATOM 338 NZ LYS A 25 0.573 12.587 -15.888 1.00 0.00 N ATOM 0 H LYS A 25 -3.692 12.984 -13.097 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.919 13.521 -14.680 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.248 13.751 -16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.752 14.569 -15.031 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.098 12.954 -14.536 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.814 11.753 -15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.289 13.355 -17.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.325 14.273 -16.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.894 11.293 -16.701 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.187 12.404 -17.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.345 11.913 -16.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.921 13.557 -16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.236 12.480 -14.910 1.00 0.00 H new ATOM 352 N ASP A 26 -4.716 10.500 -15.043 1.00 0.00 N ATOM 353 CA ASP A 26 -4.974 9.193 -15.635 1.00 0.00 C ATOM 354 C ASP A 26 -5.322 8.168 -14.559 1.00 0.00 C ATOM 355 O ASP A 26 -4.987 6.990 -14.679 1.00 0.00 O ATOM 356 CB ASP A 26 -3.756 8.721 -16.431 1.00 0.00 C ATOM 357 CG ASP A 26 -4.011 7.417 -17.160 1.00 0.00 C ATOM 358 OD1 ASP A 26 -4.921 7.383 -18.016 1.00 0.00 O ATOM 359 OD2 ASP A 26 -3.301 6.430 -16.876 1.00 0.00 O ATOM 0 H ASP A 26 -3.973 10.507 -14.345 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.825 9.288 -16.309 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.477 9.489 -17.153 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.910 8.597 -15.755 1.00 0.00 H new ATOM 364 N GLY A 27 -5.995 8.626 -13.508 1.00 0.00 N ATOM 365 CA GLY A 27 -6.376 7.737 -12.426 1.00 0.00 C ATOM 366 C GLY A 27 -5.247 7.505 -11.442 1.00 0.00 C ATOM 367 O GLY A 27 -4.432 8.396 -11.199 1.00 0.00 O ATOM 0 H GLY A 27 -6.283 9.597 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.233 8.157 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.695 6.781 -12.841 1.00 0.00 H new ATOM 371 N PHE A 28 -5.197 6.305 -10.873 1.00 0.00 N ATOM 372 CA PHE A 28 -4.161 5.959 -9.907 1.00 0.00 C ATOM 373 C PHE A 28 -2.812 5.779 -10.598 1.00 0.00 C ATOM 374 O PHE A 28 -2.453 4.675 -11.004 1.00 0.00 O ATOM 375 CB PHE A 28 -4.538 4.678 -9.159 1.00 0.00 C ATOM 376 CG PHE A 28 -5.928 4.704 -8.591 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.338 5.745 -7.773 1.00 0.00 C ATOM 378 CD2 PHE A 28 -6.826 3.687 -8.874 1.00 0.00 C ATOM 379 CE1 PHE A 28 -7.616 5.770 -7.249 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.106 3.707 -8.353 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.502 4.751 -7.540 1.00 0.00 C ATOM 0 H PHE A 28 -5.862 5.556 -11.064 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.078 6.778 -9.192 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.447 3.830 -9.838 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.826 4.516 -8.350 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.651 6.546 -7.543 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.522 2.869 -9.510 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.922 6.586 -6.612 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.795 2.908 -8.581 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.502 4.771 -7.133 1.00 0.00 H new ATOM 391 N GLY A 29 -2.069 6.874 -10.727 1.00 0.00 N ATOM 392 CA GLY A 29 -0.769 6.817 -11.369 1.00 0.00 C ATOM 393 C GLY A 29 -0.003 5.557 -11.017 1.00 0.00 C ATOM 394 O GLY A 29 0.802 5.070 -11.810 1.00 0.00 O ATOM 0 H GLY A 29 -2.344 7.799 -10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.898 6.870 -12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.184 7.688 -11.075 1.00 0.00 H new ATOM 398 N PHE A 30 -0.253 5.030 -9.823 1.00 0.00 N ATOM 399 CA PHE A 30 0.421 3.820 -9.366 1.00 0.00 C ATOM 400 C PHE A 30 -0.380 2.576 -9.739 1.00 0.00 C ATOM 401 O PHE A 30 -1.608 2.615 -9.819 1.00 0.00 O ATOM 402 CB PHE A 30 0.631 3.870 -7.851 1.00 0.00 C ATOM 403 CG PHE A 30 -0.518 3.302 -7.068 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.773 3.887 -7.131 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.344 2.184 -6.269 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.831 3.367 -6.411 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.399 1.659 -5.546 1.00 0.00 C ATOM 408 CZ PHE A 30 -2.645 2.251 -5.619 1.00 0.00 C ATOM 0 H PHE A 30 -0.917 5.421 -9.155 1.00 0.00 H new ATOM 0 HA PHE A 30 1.391 3.766 -9.860 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.538 3.321 -7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.790 4.905 -7.548 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.925 4.759 -7.750 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.628 1.717 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.804 3.833 -6.467 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.249 0.788 -4.925 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.472 1.842 -5.058 1.00 0.00 H new ATOM 418 N THR A 31 0.325 1.473 -9.969 1.00 0.00 N ATOM 419 CA THR A 31 -0.319 0.218 -10.336 1.00 0.00 C ATOM 420 C THR A 31 0.130 -0.918 -9.423 1.00 0.00 C ATOM 421 O THR A 31 1.300 -1.000 -9.047 1.00 0.00 O ATOM 422 CB THR A 31 -0.014 -0.163 -11.797 1.00 0.00 C ATOM 423 OG1 THR A 31 -0.188 0.976 -12.647 1.00 0.00 O ATOM 424 CG2 THR A 31 -0.922 -1.292 -12.262 1.00 0.00 C ATOM 0 H THR A 31 1.342 1.423 -9.908 1.00 0.00 H new ATOM 0 HA THR A 31 -1.393 0.369 -10.223 1.00 0.00 H new ATOM 0 HB THR A 31 1.020 -0.503 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.009 0.726 -13.574 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.689 -1.544 -13.296 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.767 -2.167 -11.631 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.962 -0.975 -12.192 1.00 0.00 H new ATOM 432 N ILE A 32 -0.807 -1.791 -9.069 1.00 0.00 N ATOM 433 CA ILE A 32 -0.506 -2.923 -8.201 1.00 0.00 C ATOM 434 C ILE A 32 -1.193 -4.192 -8.695 1.00 0.00 C ATOM 435 O ILE A 32 -2.403 -4.206 -8.925 1.00 0.00 O ATOM 436 CB ILE A 32 -0.941 -2.650 -6.749 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.466 -2.572 -6.656 1.00 0.00 C ATOM 438 CG2 ILE A 32 -0.308 -1.364 -6.240 1.00 0.00 C ATOM 439 CD1 ILE A 32 -3.118 -3.890 -6.300 1.00 0.00 C ATOM 0 H ILE A 32 -1.780 -1.736 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 32 0.575 -3.063 -8.228 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.599 -3.474 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.739 -1.827 -5.908 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.863 -2.226 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.625 -1.184 -5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.778 -1.454 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.623 -0.530 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.199 -3.760 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.876 -4.633 -7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.750 -4.228 -5.332 1.00 0.00 H new ATOM 451 N CYS A 33 -0.413 -5.256 -8.854 1.00 0.00 N ATOM 452 CA CYS A 33 -0.946 -6.532 -9.319 1.00 0.00 C ATOM 453 C CYS A 33 -0.103 -7.693 -8.805 1.00 0.00 C ATOM 454 O CYS A 33 1.103 -7.754 -9.049 1.00 0.00 O ATOM 455 CB CYS A 33 -0.996 -6.559 -10.848 1.00 0.00 C ATOM 456 SG CYS A 33 -1.576 -8.126 -11.539 1.00 0.00 S ATOM 0 H CYS A 33 0.590 -5.260 -8.668 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.957 -6.641 -8.927 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.649 -5.758 -11.194 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.000 -6.349 -11.237 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.585 -8.051 -12.837 1.00 0.00 H new ATOM 462 N CYS A 34 -0.744 -8.612 -8.091 1.00 0.00 N ATOM 463 CA CYS A 34 -0.052 -9.771 -7.539 1.00 0.00 C ATOM 464 C CYS A 34 -1.035 -10.714 -6.851 1.00 0.00 C ATOM 465 O CYS A 34 -2.093 -10.292 -6.385 1.00 0.00 O ATOM 466 CB CYS A 34 1.024 -9.325 -6.548 1.00 0.00 C ATOM 467 SG CYS A 34 2.443 -10.441 -6.447 1.00 0.00 S ATOM 0 H CYS A 34 -1.742 -8.577 -7.881 1.00 0.00 H new ATOM 0 HA CYS A 34 0.422 -10.306 -8.362 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.375 -8.333 -6.832 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.576 -9.234 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 34 3.299 -9.978 -5.585 1.00 0.00 H new ATOM 473 N ASP A 35 -0.678 -11.993 -6.794 1.00 0.00 N ATOM 474 CA ASP A 35 -1.528 -12.996 -6.164 1.00 0.00 C ATOM 475 C ASP A 35 -1.357 -12.980 -4.649 1.00 0.00 C ATOM 476 O ASP A 35 -0.235 -13.000 -4.141 1.00 0.00 O ATOM 477 CB ASP A 35 -1.204 -14.387 -6.712 1.00 0.00 C ATOM 478 CG ASP A 35 -0.879 -14.364 -8.193 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.454 -13.523 -8.913 1.00 0.00 O ATOM 480 OD2 ASP A 35 -0.050 -15.189 -8.631 1.00 0.00 O ATOM 0 H ASP A 35 0.194 -12.359 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.565 -12.755 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.359 -14.803 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.052 -15.049 -6.539 1.00 0.00 H new ATOM 485 N SER A 36 -2.475 -12.943 -3.932 1.00 0.00 N ATOM 486 CA SER A 36 -2.449 -12.920 -2.474 1.00 0.00 C ATOM 487 C SER A 36 -1.267 -13.723 -1.939 1.00 0.00 C ATOM 488 O SER A 36 -1.115 -14.913 -2.220 1.00 0.00 O ATOM 489 CB SER A 36 -3.757 -13.477 -1.910 1.00 0.00 C ATOM 490 OG SER A 36 -4.147 -14.654 -2.595 1.00 0.00 O ATOM 0 H SER A 36 -3.411 -12.928 -4.337 1.00 0.00 H new ATOM 0 HA SER A 36 -2.337 -11.884 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.636 -13.693 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.542 -12.726 -1.995 1.00 0.00 H new ATOM 0 HG SER A 36 -3.364 -15.228 -2.730 1.00 0.00 H new ATOM 496 N PRO A 37 -0.410 -13.060 -1.149 1.00 0.00 N ATOM 497 CA PRO A 37 -0.581 -11.644 -0.809 1.00 0.00 C ATOM 498 C PRO A 37 -0.342 -10.728 -2.004 1.00 0.00 C ATOM 499 O PRO A 37 0.452 -11.041 -2.891 1.00 0.00 O ATOM 500 CB PRO A 37 0.481 -11.407 0.267 1.00 0.00 C ATOM 501 CG PRO A 37 1.524 -12.439 0.004 1.00 0.00 C ATOM 502 CD PRO A 37 0.792 -13.640 -0.528 1.00 0.00 C ATOM 0 HA PRO A 37 -1.597 -11.423 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.894 -10.401 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.062 -11.514 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.257 -12.078 -0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.068 -12.686 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.394 -14.189 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.535 -14.339 0.268 1.00 0.00 H new ATOM 510 N VAL A 38 -1.035 -9.593 -2.022 1.00 0.00 N ATOM 511 CA VAL A 38 -0.897 -8.630 -3.108 1.00 0.00 C ATOM 512 C VAL A 38 0.327 -7.744 -2.904 1.00 0.00 C ATOM 513 O VAL A 38 0.753 -7.507 -1.774 1.00 0.00 O ATOM 514 CB VAL A 38 -2.147 -7.739 -3.230 1.00 0.00 C ATOM 515 CG1 VAL A 38 -1.963 -6.709 -4.334 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.384 -8.588 -3.482 1.00 0.00 C ATOM 0 H VAL A 38 -1.697 -9.318 -1.297 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.778 -9.204 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.286 -7.207 -2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.856 -6.089 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.102 -6.081 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.798 -7.219 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.258 -7.942 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.258 -9.149 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.524 -9.282 -2.653 1.00 0.00 H new ATOM 526 N ARG A 39 0.889 -7.258 -4.006 1.00 0.00 N ATOM 527 CA ARG A 39 2.065 -6.399 -3.949 1.00 0.00 C ATOM 528 C ARG A 39 1.975 -5.285 -4.988 1.00 0.00 C ATOM 529 O ARG A 39 1.095 -5.293 -5.848 1.00 0.00 O ATOM 530 CB ARG A 39 3.335 -7.221 -4.176 1.00 0.00 C ATOM 531 CG ARG A 39 4.558 -6.660 -3.470 1.00 0.00 C ATOM 532 CD ARG A 39 5.540 -7.760 -3.096 1.00 0.00 C ATOM 533 NE ARG A 39 6.357 -7.395 -1.942 1.00 0.00 N ATOM 534 CZ ARG A 39 7.503 -7.992 -1.635 1.00 0.00 C ATOM 535 NH1 ARG A 39 7.965 -8.977 -2.393 1.00 0.00 N ATOM 536 NH2 ARG A 39 8.189 -7.604 -0.568 1.00 0.00 N ATOM 0 H ARG A 39 0.549 -7.445 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 39 2.106 -5.946 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.164 -8.241 -3.832 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.536 -7.275 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.052 -5.935 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.248 -6.127 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.992 -8.676 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.188 -7.972 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 39 6.030 -6.640 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.440 -9.278 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.845 -9.434 -2.155 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.836 -6.847 0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.069 -8.063 -0.333 1.00 0.00 H new ATOM 550 N VAL A 40 2.893 -4.326 -4.901 1.00 0.00 N ATOM 551 CA VAL A 40 2.918 -3.205 -5.833 1.00 0.00 C ATOM 552 C VAL A 40 3.623 -3.585 -7.130 1.00 0.00 C ATOM 553 O VAL A 40 4.594 -4.341 -7.121 1.00 0.00 O ATOM 554 CB VAL A 40 3.620 -1.980 -5.219 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.581 -0.804 -6.182 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.982 -1.612 -3.888 1.00 0.00 C ATOM 0 H VAL A 40 3.629 -4.304 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 40 1.881 -2.949 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 40 4.664 -2.235 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.082 0.053 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.089 -1.075 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.545 -0.545 -6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.491 -0.744 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.929 -1.376 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.068 -2.452 -3.199 1.00 0.00 H new ATOM 566 N GLN A 41 3.129 -3.054 -8.244 1.00 0.00 N ATOM 567 CA GLN A 41 3.713 -3.338 -9.550 1.00 0.00 C ATOM 568 C GLN A 41 4.730 -2.269 -9.935 1.00 0.00 C ATOM 569 O GLN A 41 5.867 -2.579 -10.289 1.00 0.00 O ATOM 570 CB GLN A 41 2.617 -3.423 -10.614 1.00 0.00 C ATOM 571 CG GLN A 41 3.154 -3.565 -12.029 1.00 0.00 C ATOM 572 CD GLN A 41 3.775 -4.925 -12.284 1.00 0.00 C ATOM 573 OE1 GLN A 41 4.660 -5.363 -11.549 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.313 -5.600 -13.330 1.00 0.00 N ATOM 0 H GLN A 41 2.326 -2.425 -8.268 1.00 0.00 H new ATOM 0 HA GLN A 41 4.227 -4.297 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.972 -4.273 -10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.997 -2.528 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.344 -3.401 -12.739 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.899 -2.790 -12.210 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.578 -5.198 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.693 -6.520 -13.551 1.00 0.00 H new ATOM 583 N ALA A 42 4.312 -1.009 -9.864 1.00 0.00 N ATOM 584 CA ALA A 42 5.188 0.106 -10.204 1.00 0.00 C ATOM 585 C ALA A 42 4.532 1.441 -9.868 1.00 0.00 C ATOM 586 O ALA A 42 3.309 1.573 -9.915 1.00 0.00 O ATOM 587 CB ALA A 42 5.559 0.055 -11.679 1.00 0.00 C ATOM 0 H ALA A 42 3.373 -0.735 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 42 6.097 0.017 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.213 0.893 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.075 -0.881 -11.892 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.654 0.116 -12.284 1.00 0.00 H new ATOM 593 N VAL A 43 5.353 2.429 -9.528 1.00 0.00 N ATOM 594 CA VAL A 43 4.853 3.755 -9.184 1.00 0.00 C ATOM 595 C VAL A 43 5.377 4.809 -10.153 1.00 0.00 C ATOM 596 O VAL A 43 6.579 4.893 -10.404 1.00 0.00 O ATOM 597 CB VAL A 43 5.251 4.150 -7.749 1.00 0.00 C ATOM 598 CG1 VAL A 43 4.712 5.530 -7.406 1.00 0.00 C ATOM 599 CG2 VAL A 43 4.753 3.112 -6.754 1.00 0.00 C ATOM 0 H VAL A 43 6.368 2.336 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 43 3.766 3.711 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 43 6.339 4.186 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.003 5.792 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.121 6.263 -8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.625 5.525 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.043 3.407 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.667 3.042 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.192 2.143 -6.989 1.00 0.00 H new ATOM 609 N ASP A 44 4.467 5.611 -10.694 1.00 0.00 N ATOM 610 CA ASP A 44 4.837 6.662 -11.635 1.00 0.00 C ATOM 611 C ASP A 44 5.596 7.781 -10.929 1.00 0.00 C ATOM 612 O ASP A 44 5.180 8.257 -9.873 1.00 0.00 O ATOM 613 CB ASP A 44 3.591 7.226 -12.318 1.00 0.00 C ATOM 614 CG ASP A 44 3.930 8.191 -13.437 1.00 0.00 C ATOM 615 OD1 ASP A 44 4.396 9.310 -13.134 1.00 0.00 O ATOM 616 OD2 ASP A 44 3.730 7.829 -14.615 1.00 0.00 O ATOM 0 H ASP A 44 3.468 5.554 -10.497 1.00 0.00 H new ATOM 0 HA ASP A 44 5.490 6.225 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.997 6.405 -12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.974 7.735 -11.578 1.00 0.00 H new ATOM 621 N SER A 45 6.713 8.196 -11.519 1.00 0.00 N ATOM 622 CA SER A 45 7.533 9.255 -10.945 1.00 0.00 C ATOM 623 C SER A 45 6.845 10.610 -11.082 1.00 0.00 C ATOM 624 O SER A 45 6.547 11.058 -12.189 1.00 0.00 O ATOM 625 CB SER A 45 8.903 9.295 -11.625 1.00 0.00 C ATOM 626 OG SER A 45 8.826 9.928 -12.890 1.00 0.00 O ATOM 0 H SER A 45 7.070 7.814 -12.395 1.00 0.00 H new ATOM 0 HA SER A 45 7.668 9.041 -9.885 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.612 9.828 -10.991 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.283 8.280 -11.745 1.00 0.00 H new ATOM 0 HG SER A 45 7.903 10.210 -13.059 1.00 0.00 H new ATOM 632 N GLY A 46 6.596 11.258 -9.948 1.00 0.00 N ATOM 633 CA GLY A 46 5.945 12.555 -9.963 1.00 0.00 C ATOM 634 C GLY A 46 4.454 12.453 -10.217 1.00 0.00 C ATOM 635 O GLY A 46 3.899 13.208 -11.014 1.00 0.00 O ATOM 0 H GLY A 46 6.833 10.908 -9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.114 13.054 -9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.400 13.177 -10.734 1.00 0.00 H new ATOM 639 N GLY A 47 3.802 11.513 -9.538 1.00 0.00 N ATOM 640 CA GLY A 47 2.373 11.330 -9.710 1.00 0.00 C ATOM 641 C GLY A 47 1.599 11.579 -8.431 1.00 0.00 C ATOM 642 O GLY A 47 2.153 12.010 -7.419 1.00 0.00 O ATOM 0 H GLY A 47 4.239 10.875 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.014 12.006 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.179 10.315 -10.057 1.00 0.00 H new ATOM 646 N PRO A 48 0.286 11.307 -8.466 1.00 0.00 N ATOM 647 CA PRO A 48 -0.594 11.499 -7.309 1.00 0.00 C ATOM 648 C PRO A 48 -0.316 10.493 -6.197 1.00 0.00 C ATOM 649 O PRO A 48 -0.572 10.764 -5.024 1.00 0.00 O ATOM 650 CB PRO A 48 -1.994 11.282 -7.889 1.00 0.00 C ATOM 651 CG PRO A 48 -1.781 10.408 -9.076 1.00 0.00 C ATOM 652 CD PRO A 48 -0.441 10.792 -9.639 1.00 0.00 C ATOM 0 HA PRO A 48 -0.455 12.477 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.655 10.809 -7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.456 12.228 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.798 9.355 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.570 10.553 -9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.068 9.937 -10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.534 11.548 -10.418 1.00 0.00 H new ATOM 660 N ALA A 49 0.210 9.332 -6.573 1.00 0.00 N ATOM 661 CA ALA A 49 0.525 8.287 -5.607 1.00 0.00 C ATOM 662 C ALA A 49 1.834 8.585 -4.884 1.00 0.00 C ATOM 663 O ALA A 49 1.868 8.680 -3.658 1.00 0.00 O ATOM 664 CB ALA A 49 0.597 6.934 -6.298 1.00 0.00 C ATOM 0 H ALA A 49 0.427 9.091 -7.540 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.272 8.261 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.833 6.163 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.364 6.711 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.373 6.957 -7.063 1.00 0.00 H new ATOM 670 N GLU A 50 2.909 8.729 -5.653 1.00 0.00 N ATOM 671 CA GLU A 50 4.221 9.014 -5.083 1.00 0.00 C ATOM 672 C GLU A 50 4.199 10.317 -4.289 1.00 0.00 C ATOM 673 O GLU A 50 4.670 10.372 -3.153 1.00 0.00 O ATOM 674 CB GLU A 50 5.275 9.097 -6.190 1.00 0.00 C ATOM 675 CG GLU A 50 6.674 8.727 -5.727 1.00 0.00 C ATOM 676 CD GLU A 50 7.461 9.925 -5.232 1.00 0.00 C ATOM 677 OE1 GLU A 50 6.913 10.702 -4.422 1.00 0.00 O ATOM 678 OE2 GLU A 50 8.625 10.085 -5.655 1.00 0.00 O ATOM 0 H GLU A 50 2.897 8.653 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 50 4.478 8.200 -4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.985 8.436 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.290 10.111 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.605 7.988 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.213 8.258 -6.550 1.00 0.00 H new ATOM 685 N ARG A 51 3.648 11.363 -4.896 1.00 0.00 N ATOM 686 CA ARG A 51 3.565 12.666 -4.247 1.00 0.00 C ATOM 687 C ARG A 51 3.058 12.529 -2.814 1.00 0.00 C ATOM 688 O ARG A 51 3.467 13.276 -1.926 1.00 0.00 O ATOM 689 CB ARG A 51 2.644 13.596 -5.038 1.00 0.00 C ATOM 690 CG ARG A 51 1.175 13.211 -4.958 1.00 0.00 C ATOM 691 CD ARG A 51 0.279 14.324 -5.478 1.00 0.00 C ATOM 692 NE ARG A 51 0.654 14.746 -6.824 1.00 0.00 N ATOM 693 CZ ARG A 51 -0.173 15.369 -7.657 1.00 0.00 C ATOM 694 NH1 ARG A 51 -1.416 15.641 -7.282 1.00 0.00 N ATOM 695 NH2 ARG A 51 0.242 15.721 -8.867 1.00 0.00 N ATOM 0 H ARG A 51 3.253 11.334 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 51 4.567 13.095 -4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.765 14.614 -4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.954 13.598 -6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.003 12.304 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.913 12.984 -3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.757 13.984 -5.480 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.333 15.178 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 51 1.603 14.552 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.739 15.372 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.049 16.119 -7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.197 15.513 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.394 16.199 -9.505 1.00 0.00 H new ATOM 709 N ALA A 52 2.164 11.569 -2.598 1.00 0.00 N ATOM 710 CA ALA A 52 1.603 11.333 -1.273 1.00 0.00 C ATOM 711 C ALA A 52 2.595 10.597 -0.379 1.00 0.00 C ATOM 712 O ALA A 52 2.754 10.930 0.794 1.00 0.00 O ATOM 713 CB ALA A 52 0.305 10.547 -1.383 1.00 0.00 C ATOM 0 H ALA A 52 1.813 10.943 -3.323 1.00 0.00 H new ATOM 0 HA ALA A 52 1.393 12.300 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.103 10.378 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.413 11.111 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.500 9.588 -1.863 1.00 0.00 H new ATOM 719 N GLY A 53 3.261 9.594 -0.943 1.00 0.00 N ATOM 720 CA GLY A 53 4.229 8.826 -0.182 1.00 0.00 C ATOM 721 C GLY A 53 4.120 7.336 -0.440 1.00 0.00 C ATOM 722 O GLY A 53 4.310 6.525 0.467 1.00 0.00 O ATOM 0 H GLY A 53 3.147 9.300 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.234 9.163 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.086 9.019 0.881 1.00 0.00 H new ATOM 726 N LEU A 54 3.813 6.974 -1.681 1.00 0.00 N ATOM 727 CA LEU A 54 3.677 5.571 -2.057 1.00 0.00 C ATOM 728 C LEU A 54 5.006 5.008 -2.552 1.00 0.00 C ATOM 729 O LEU A 54 5.628 5.566 -3.455 1.00 0.00 O ATOM 730 CB LEU A 54 2.609 5.413 -3.140 1.00 0.00 C ATOM 731 CG LEU A 54 1.982 4.025 -3.268 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.690 4.094 -4.067 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.961 3.056 -3.916 1.00 0.00 C ATOM 0 H LEU A 54 3.654 7.632 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 54 3.373 5.012 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.814 6.132 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.051 5.680 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 54 1.747 3.660 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.258 3.096 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.015 4.755 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.899 4.480 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.498 2.073 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.227 3.417 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.860 2.983 -3.304 1.00 0.00 H new ATOM 745 N GLN A 55 5.433 3.900 -1.955 1.00 0.00 N ATOM 746 CA GLN A 55 6.687 3.262 -2.337 1.00 0.00 C ATOM 747 C GLN A 55 6.430 1.933 -3.039 1.00 0.00 C ATOM 748 O GLN A 55 5.567 1.159 -2.625 1.00 0.00 O ATOM 749 CB GLN A 55 7.567 3.041 -1.105 1.00 0.00 C ATOM 750 CG GLN A 55 9.048 2.925 -1.428 1.00 0.00 C ATOM 751 CD GLN A 55 9.912 2.846 -0.185 1.00 0.00 C ATOM 752 OE1 GLN A 55 9.684 1.822 0.629 1.00 0.00 O flip ATOM 753 NE2 GLN A 55 10.774 3.695 0.041 1.00 0.00 N flip ATOM 0 H GLN A 55 4.929 3.426 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 55 7.206 3.923 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.419 3.868 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.243 2.134 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.214 2.037 -2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.354 3.784 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.915 4.465 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.348 3.628 0.882 1.00 0.00 H new ATOM 762 N GLN A 56 7.184 1.675 -4.102 1.00 0.00 N ATOM 763 CA GLN A 56 7.036 0.439 -4.861 1.00 0.00 C ATOM 764 C GLN A 56 7.537 -0.757 -4.058 1.00 0.00 C ATOM 765 O GLN A 56 8.258 -0.598 -3.072 1.00 0.00 O ATOM 766 CB GLN A 56 7.798 0.534 -6.184 1.00 0.00 C ATOM 767 CG GLN A 56 7.494 -0.604 -7.145 1.00 0.00 C ATOM 768 CD GLN A 56 8.132 -0.406 -8.506 1.00 0.00 C ATOM 769 OE1 GLN A 56 8.122 0.697 -9.054 1.00 0.00 O ATOM 770 NE2 GLN A 56 8.691 -1.476 -9.059 1.00 0.00 N ATOM 0 H GLN A 56 7.903 2.305 -4.457 1.00 0.00 H new ATOM 0 HA GLN A 56 5.976 0.295 -5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.555 1.481 -6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.868 0.548 -5.977 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.848 -1.541 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.414 -0.695 -7.264 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.676 -2.370 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.136 -1.404 -9.974 1.00 0.00 H new ATOM 779 N LEU A 57 7.149 -1.954 -4.484 1.00 0.00 N ATOM 780 CA LEU A 57 7.558 -3.178 -3.804 1.00 0.00 C ATOM 781 C LEU A 57 7.026 -3.211 -2.375 1.00 0.00 C ATOM 782 O LEU A 57 7.671 -3.746 -1.474 1.00 0.00 O ATOM 783 CB LEU A 57 9.083 -3.295 -3.795 1.00 0.00 C ATOM 784 CG LEU A 57 9.753 -3.436 -5.162 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.261 -3.280 -5.036 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.405 -4.777 -5.791 1.00 0.00 C ATOM 0 H LEU A 57 6.552 -2.103 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 57 7.138 -4.024 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.492 -2.414 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.358 -4.157 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 57 9.379 -2.645 -5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.721 -3.383 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.492 -2.296 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.652 -4.049 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.891 -4.860 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.750 -5.583 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.325 -4.850 -5.917 1.00 0.00 H new ATOM 798 N ASP A 58 5.844 -2.636 -2.176 1.00 0.00 N ATOM 799 CA ASP A 58 5.223 -2.602 -0.857 1.00 0.00 C ATOM 800 C ASP A 58 4.041 -3.564 -0.788 1.00 0.00 C ATOM 801 O ASP A 58 3.177 -3.567 -1.665 1.00 0.00 O ATOM 802 CB ASP A 58 4.762 -1.183 -0.523 1.00 0.00 C ATOM 803 CG ASP A 58 5.835 -0.375 0.180 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.988 -0.376 -0.300 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.522 0.258 1.209 1.00 0.00 O ATOM 0 H ASP A 58 5.297 -2.188 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 58 5.967 -2.915 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.471 -0.673 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.875 -1.232 0.109 1.00 0.00 H new ATOM 810 N THR A 59 4.010 -4.381 0.260 1.00 0.00 N ATOM 811 CA THR A 59 2.936 -5.349 0.442 1.00 0.00 C ATOM 812 C THR A 59 1.663 -4.672 0.936 1.00 0.00 C ATOM 813 O THR A 59 1.712 -3.768 1.771 1.00 0.00 O ATOM 814 CB THR A 59 3.337 -6.452 1.440 1.00 0.00 C ATOM 815 OG1 THR A 59 4.621 -6.982 1.095 1.00 0.00 O ATOM 816 CG2 THR A 59 2.307 -7.572 1.452 1.00 0.00 C ATOM 0 H THR A 59 4.717 -4.391 0.996 1.00 0.00 H new ATOM 0 HA THR A 59 2.750 -5.801 -0.532 1.00 0.00 H new ATOM 0 HB THR A 59 3.382 -6.011 2.436 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.869 -7.681 1.735 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.612 -8.339 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.337 -7.171 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.234 -8.010 0.456 1.00 0.00 H new ATOM 824 N VAL A 60 0.522 -5.113 0.415 1.00 0.00 N ATOM 825 CA VAL A 60 -0.765 -4.550 0.805 1.00 0.00 C ATOM 826 C VAL A 60 -1.374 -5.325 1.969 1.00 0.00 C ATOM 827 O VAL A 60 -1.781 -6.477 1.817 1.00 0.00 O ATOM 828 CB VAL A 60 -1.757 -4.551 -0.373 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.067 -3.890 0.031 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.150 -3.854 -1.581 1.00 0.00 C ATOM 0 H VAL A 60 0.463 -5.859 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.580 -3.521 1.115 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.968 -5.585 -0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.755 -3.900 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.508 -4.436 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.877 -2.860 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.865 -3.864 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.908 -2.823 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.241 -4.375 -1.883 1.00 0.00 H new ATOM 840 N LEU A 61 -1.434 -4.684 3.131 1.00 0.00 N ATOM 841 CA LEU A 61 -1.995 -5.312 4.322 1.00 0.00 C ATOM 842 C LEU A 61 -3.519 -5.244 4.308 1.00 0.00 C ATOM 843 O LEU A 61 -4.194 -6.270 4.243 1.00 0.00 O ATOM 844 CB LEU A 61 -1.454 -4.634 5.583 1.00 0.00 C ATOM 845 CG LEU A 61 0.044 -4.796 5.841 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.440 -4.103 7.136 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.422 -6.270 5.886 1.00 0.00 C ATOM 0 H LEU A 61 -1.101 -3.730 3.274 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.697 -6.360 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.679 -3.569 5.524 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.995 -5.027 6.444 1.00 0.00 H new ATOM 0 HG LEU A 61 0.587 -4.327 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.510 -4.229 7.304 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.206 -3.041 7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.112 -4.542 7.967 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.492 -6.366 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.130 -6.763 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.175 -6.738 4.933 1.00 0.00 H new ATOM 859 N GLN A 62 -4.052 -4.028 4.368 1.00 0.00 N ATOM 860 CA GLN A 62 -5.496 -3.826 4.361 1.00 0.00 C ATOM 861 C GLN A 62 -5.875 -2.639 3.482 1.00 0.00 C ATOM 862 O GLN A 62 -5.136 -1.658 3.392 1.00 0.00 O ATOM 863 CB GLN A 62 -6.008 -3.605 5.785 1.00 0.00 C ATOM 864 CG GLN A 62 -5.313 -2.466 6.512 1.00 0.00 C ATOM 865 CD GLN A 62 -5.591 -2.469 8.003 1.00 0.00 C ATOM 866 OE1 GLN A 62 -4.693 -2.239 8.814 1.00 0.00 O ATOM 867 NE2 GLN A 62 -6.840 -2.729 8.372 1.00 0.00 N ATOM 0 H GLN A 62 -3.506 -3.168 4.422 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.961 -4.722 3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.079 -3.403 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.876 -4.524 6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.238 -2.537 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.639 -1.516 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.552 -2.914 7.666 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.087 -2.744 9.362 1.00 0.00 H new ATOM 876 N LEU A 63 -7.031 -2.734 2.835 1.00 0.00 N ATOM 877 CA LEU A 63 -7.510 -1.668 1.962 1.00 0.00 C ATOM 878 C LEU A 63 -8.826 -1.093 2.475 1.00 0.00 C ATOM 879 O LEU A 63 -9.722 -1.832 2.879 1.00 0.00 O ATOM 880 CB LEU A 63 -7.691 -2.192 0.536 1.00 0.00 C ATOM 881 CG LEU A 63 -7.919 -1.134 -0.544 1.00 0.00 C ATOM 882 CD1 LEU A 63 -6.594 -0.678 -1.133 1.00 0.00 C ATOM 883 CD2 LEU A 63 -8.832 -1.674 -1.635 1.00 0.00 C ATOM 0 H LEU A 63 -7.655 -3.539 2.898 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.764 -0.873 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.807 -2.771 0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.537 -2.879 0.527 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.404 -0.273 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.777 0.075 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.974 -0.251 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.080 -1.531 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.983 -0.908 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.374 -2.552 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.793 -1.950 -1.201 1.00 0.00 H new ATOM 895 N ASN A 64 -8.935 0.232 2.454 1.00 0.00 N ATOM 896 CA ASN A 64 -10.143 0.906 2.916 1.00 0.00 C ATOM 897 C ASN A 64 -10.599 0.345 4.259 1.00 0.00 C ATOM 898 O ASN A 64 -11.786 0.093 4.466 1.00 0.00 O ATOM 899 CB ASN A 64 -11.261 0.759 1.883 1.00 0.00 C ATOM 900 CG ASN A 64 -11.254 1.879 0.860 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.900 2.910 1.047 1.00 0.00 O ATOM 902 ND2 ASN A 64 -10.521 1.680 -0.230 1.00 0.00 N ATOM 0 H ASN A 64 -8.202 0.859 2.122 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.913 1.964 3.044 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.156 -0.198 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.224 0.743 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.478 2.398 -0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.001 0.810 -0.343 1.00 0.00 H new ATOM 909 N GLU A 65 -9.649 0.152 5.168 1.00 0.00 N ATOM 910 CA GLU A 65 -9.954 -0.379 6.491 1.00 0.00 C ATOM 911 C GLU A 65 -10.513 -1.796 6.393 1.00 0.00 C ATOM 912 O GLU A 65 -11.328 -2.212 7.216 1.00 0.00 O ATOM 913 CB GLU A 65 -10.955 0.527 7.211 1.00 0.00 C ATOM 914 CG GLU A 65 -10.425 1.925 7.483 1.00 0.00 C ATOM 915 CD GLU A 65 -11.487 2.854 8.037 1.00 0.00 C ATOM 916 OE1 GLU A 65 -11.687 2.857 9.270 1.00 0.00 O ATOM 917 OE2 GLU A 65 -12.118 3.578 7.239 1.00 0.00 O ATOM 0 H GLU A 65 -8.662 0.355 5.012 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.027 -0.411 7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.862 0.602 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.236 0.064 8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.597 1.864 8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.027 2.345 6.559 1.00 0.00 H new ATOM 924 N ARG A 66 -10.069 -2.532 5.379 1.00 0.00 N ATOM 925 CA ARG A 66 -10.526 -3.900 5.171 1.00 0.00 C ATOM 926 C ARG A 66 -9.346 -4.836 4.926 1.00 0.00 C ATOM 927 O ARG A 66 -8.350 -4.469 4.302 1.00 0.00 O ATOM 928 CB ARG A 66 -11.494 -3.963 3.988 1.00 0.00 C ATOM 929 CG ARG A 66 -12.739 -3.111 4.174 1.00 0.00 C ATOM 930 CD ARG A 66 -13.325 -2.682 2.839 1.00 0.00 C ATOM 931 NE ARG A 66 -14.104 -1.452 2.953 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.361 -1.414 3.381 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.977 -2.533 3.735 1.00 0.00 N ATOM 934 NH2 ARG A 66 -16.003 -0.256 3.457 1.00 0.00 N ATOM 0 H ARG A 66 -9.393 -2.203 4.689 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.044 -4.224 6.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.974 -3.640 3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.793 -4.999 3.829 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.485 -3.673 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.492 -2.229 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.519 -2.535 2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.959 -3.478 2.449 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.658 -0.573 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.486 -3.425 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.942 -2.502 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.532 0.607 3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.968 -0.229 3.786 1.00 0.00 H new ATOM 948 N PRO A 67 -9.458 -6.075 5.428 1.00 0.00 N ATOM 949 CA PRO A 67 -8.409 -7.088 5.277 1.00 0.00 C ATOM 950 C PRO A 67 -8.280 -7.578 3.838 1.00 0.00 C ATOM 951 O PRO A 67 -9.245 -8.065 3.249 1.00 0.00 O ATOM 952 CB PRO A 67 -8.880 -8.224 6.188 1.00 0.00 C ATOM 953 CG PRO A 67 -10.359 -8.060 6.265 1.00 0.00 C ATOM 954 CD PRO A 67 -10.616 -6.581 6.183 1.00 0.00 C ATOM 0 HA PRO A 67 -7.424 -6.697 5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.611 -9.197 5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.422 -8.156 7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.853 -8.588 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.750 -8.473 7.195 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.554 -6.364 5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.679 -6.129 7.173 1.00 0.00 H new ATOM 962 N VAL A 68 -7.082 -7.445 3.278 1.00 0.00 N ATOM 963 CA VAL A 68 -6.826 -7.876 1.909 1.00 0.00 C ATOM 964 C VAL A 68 -5.523 -8.660 1.814 1.00 0.00 C ATOM 965 O VAL A 68 -4.878 -8.686 0.766 1.00 0.00 O ATOM 966 CB VAL A 68 -6.762 -6.676 0.946 1.00 0.00 C ATOM 967 CG1 VAL A 68 -7.934 -5.736 1.185 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.439 -5.941 1.098 1.00 0.00 C ATOM 0 H VAL A 68 -6.273 -7.042 3.751 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.656 -8.521 1.620 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.829 -7.049 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.872 -4.894 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.869 -6.271 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.902 -5.368 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.411 -5.096 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.339 -5.579 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.617 -6.620 0.872 1.00 0.00 H new ATOM 978 N GLU A 69 -5.141 -9.299 2.915 1.00 0.00 N ATOM 979 CA GLU A 69 -3.913 -10.084 2.955 1.00 0.00 C ATOM 980 C GLU A 69 -4.038 -11.335 2.091 1.00 0.00 C ATOM 981 O GLU A 69 -3.054 -11.816 1.529 1.00 0.00 O ATOM 982 CB GLU A 69 -3.579 -10.477 4.396 1.00 0.00 C ATOM 983 CG GLU A 69 -3.050 -9.326 5.234 1.00 0.00 C ATOM 984 CD GLU A 69 -4.154 -8.564 5.942 1.00 0.00 C ATOM 985 OE1 GLU A 69 -5.276 -8.503 5.396 1.00 0.00 O ATOM 986 OE2 GLU A 69 -3.896 -8.028 7.040 1.00 0.00 O ATOM 0 H GLU A 69 -5.664 -9.289 3.791 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.106 -9.468 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.474 -10.879 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.838 -11.276 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.348 -9.712 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.494 -8.641 4.594 1.00 0.00 H new ATOM 993 N HIS A 70 -5.256 -11.858 1.991 1.00 0.00 N ATOM 994 CA HIS A 70 -5.512 -13.054 1.195 1.00 0.00 C ATOM 995 C HIS A 70 -6.334 -12.715 -0.045 1.00 0.00 C ATOM 996 O HIS A 70 -7.124 -13.532 -0.519 1.00 0.00 O ATOM 997 CB HIS A 70 -6.241 -14.104 2.034 1.00 0.00 C ATOM 998 CG HIS A 70 -5.605 -14.352 3.367 1.00 0.00 C ATOM 999 ND1 HIS A 70 -6.289 -14.241 4.559 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -4.341 -14.710 3.692 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -5.473 -14.518 5.560 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -4.284 -14.806 5.061 1.00 0.00 N ATOM 0 H HIS A 70 -6.081 -11.473 2.451 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.553 -13.459 0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.272 -13.784 2.186 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.277 -15.041 1.478 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.528 -14.887 3.003 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.733 -14.510 6.608 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -3.458 -15.058 5.604 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.143 -11.508 -0.564 1.00 0.00 N ATOM 1012 CA TRP A 71 -6.868 -11.062 -1.748 1.00 0.00 C ATOM 1013 C TRP A 71 -5.968 -11.088 -2.979 1.00 0.00 C ATOM 1014 O TRP A 71 -4.788 -10.744 -2.905 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.419 -9.652 -1.533 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.524 -9.593 -0.522 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -8.818 -10.531 0.426 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.484 -8.543 -0.361 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -9.901 -10.127 1.168 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.328 -8.910 0.705 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -9.710 -7.327 -1.011 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.381 -8.105 1.132 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -10.756 -6.529 -0.587 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -11.580 -6.920 0.477 1.00 0.00 C ATOM 0 H TRP A 71 -5.492 -10.821 -0.184 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.699 -11.747 -1.914 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.608 -8.998 -1.213 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.785 -9.264 -2.484 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.278 -11.455 0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.319 -10.648 1.938 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.079 -7.016 -1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.018 -8.405 1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.941 -5.588 -1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.388 -6.273 0.786 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.532 -11.496 -4.110 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.781 -11.565 -5.358 1.00 0.00 C ATOM 1037 C LYS A 72 -5.983 -10.300 -6.185 1.00 0.00 C ATOM 1038 O LYS A 72 -6.961 -9.575 -5.999 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.210 -12.791 -6.168 1.00 0.00 C ATOM 1040 CG LYS A 72 -5.966 -14.108 -5.453 1.00 0.00 C ATOM 1041 CD LYS A 72 -5.790 -15.253 -6.438 1.00 0.00 C ATOM 1042 CE LYS A 72 -5.071 -16.431 -5.800 1.00 0.00 C ATOM 1043 NZ LYS A 72 -4.562 -17.389 -6.820 1.00 0.00 N ATOM 0 H LYS A 72 -7.507 -11.784 -4.188 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.723 -11.652 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.271 -12.707 -6.405 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.672 -12.797 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.077 -14.025 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.803 -14.323 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.766 -15.575 -6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.226 -14.906 -7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.239 -16.066 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.751 -16.948 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.078 -18.178 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.358 -17.757 -7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.893 -16.902 -7.450 1.00 0.00 H new ATOM 1057 N CYS A 73 -5.054 -10.041 -7.099 1.00 0.00 N ATOM 1058 CA CYS A 73 -5.131 -8.863 -7.955 1.00 0.00 C ATOM 1059 C CYS A 73 -6.567 -8.610 -8.405 1.00 0.00 C ATOM 1060 O CYS A 73 -7.023 -7.468 -8.449 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.224 -9.033 -9.175 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.703 -10.393 -10.267 1.00 0.00 S ATOM 0 H CYS A 73 -4.239 -10.631 -7.266 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.794 -8.002 -7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.224 -8.105 -9.747 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.202 -9.197 -8.834 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.878 -10.455 -11.270 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.274 -9.685 -8.740 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.658 -9.580 -9.188 1.00 0.00 C ATOM 1070 C VAL A 74 -9.582 -9.207 -8.034 1.00 0.00 C ATOM 1071 O VAL A 74 -10.566 -8.493 -8.220 1.00 0.00 O ATOM 1072 CB VAL A 74 -9.146 -10.899 -9.816 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -8.506 -11.110 -11.180 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -8.848 -12.071 -8.892 1.00 0.00 C ATOM 0 H VAL A 74 -6.911 -10.638 -8.710 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.688 -8.794 -9.943 1.00 0.00 H new ATOM 0 HB VAL A 74 -10.226 -10.838 -9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.863 -12.047 -11.608 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.774 -10.284 -11.839 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.422 -11.150 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.199 -12.995 -9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.773 -12.136 -8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.358 -11.922 -7.940 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.256 -9.696 -6.841 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.058 -9.414 -5.656 1.00 0.00 C ATOM 1086 C GLU A 75 -9.858 -7.973 -5.194 1.00 0.00 C ATOM 1087 O GLU A 75 -10.817 -7.277 -4.860 1.00 0.00 O ATOM 1088 CB GLU A 75 -9.696 -10.379 -4.526 1.00 0.00 C ATOM 1089 CG GLU A 75 -9.846 -11.843 -4.903 1.00 0.00 C ATOM 1090 CD GLU A 75 -9.573 -12.777 -3.740 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -9.700 -12.331 -2.580 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -9.232 -13.952 -3.989 1.00 0.00 O ATOM 0 H GLU A 75 -8.443 -10.288 -6.670 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.107 -9.551 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.666 -10.195 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.328 -10.168 -3.663 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.856 -12.017 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.162 -12.076 -5.719 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.604 -7.533 -5.176 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.276 -6.176 -4.754 1.00 0.00 C ATOM 1101 C LEU A 76 -8.684 -5.161 -5.818 1.00 0.00 C ATOM 1102 O LEU A 76 -9.468 -4.251 -5.553 1.00 0.00 O ATOM 1103 CB LEU A 76 -6.778 -6.058 -4.468 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.327 -4.776 -3.767 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.340 -4.361 -2.712 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -4.952 -4.964 -3.144 1.00 0.00 C ATOM 0 H LEU A 76 -7.798 -8.096 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.832 -5.961 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.477 -6.908 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.241 -6.140 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.261 -3.982 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.003 -3.447 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.306 -4.184 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.438 -5.154 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.647 -4.042 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.991 -5.772 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.231 -5.214 -3.922 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.147 -5.327 -7.023 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.458 -4.429 -8.128 1.00 0.00 C ATOM 1120 C ALA A 77 -9.911 -3.968 -8.068 1.00 0.00 C ATOM 1121 O ALA A 77 -10.208 -2.791 -8.272 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.172 -5.110 -9.458 1.00 0.00 C ATOM 0 H ALA A 77 -7.495 -6.075 -7.258 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.821 -3.549 -8.039 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.409 -4.428 -10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.118 -5.383 -9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.784 -6.008 -9.546 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.812 -4.904 -7.789 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.235 -4.594 -7.703 1.00 0.00 C ATOM 1130 C HIS A 78 -12.501 -3.561 -6.611 1.00 0.00 C ATOM 1131 O HIS A 78 -13.265 -2.618 -6.810 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.040 -5.864 -7.427 1.00 0.00 C ATOM 1133 CG HIS A 78 -13.284 -6.695 -8.649 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -12.472 -7.003 -9.687 1.00 0.00 N flip ATOM 1135 CD2 HIS A 78 -14.487 -7.319 -8.907 1.00 0.00 C flip ATOM 1136 CE1 HIS A 78 -13.191 -7.800 -10.544 1.00 0.00 C flip ATOM 1137 NE2 HIS A 78 -14.403 -7.976 -10.050 1.00 0.00 N flip ATOM 0 H HIS A 78 -10.583 -5.883 -7.619 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.549 -4.175 -8.659 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.512 -6.466 -6.688 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -13.999 -5.589 -6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.361 -7.277 -8.274 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -12.825 -8.215 -11.471 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -15.148 -8.526 -10.478 1.00 0.00 H new ATOM 1146 N GLU A 79 -11.865 -3.749 -5.459 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.036 -2.834 -4.336 1.00 0.00 C ATOM 1148 C GLU A 79 -11.477 -1.454 -4.669 1.00 0.00 C ATOM 1149 O GLU A 79 -12.148 -0.439 -4.480 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.344 -3.389 -3.089 1.00 0.00 C ATOM 1151 CG GLU A 79 -11.929 -2.868 -1.787 1.00 0.00 C ATOM 1152 CD GLU A 79 -13.221 -3.566 -1.407 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -13.934 -4.032 -2.320 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -13.519 -3.645 -0.197 1.00 0.00 O ATOM 0 H GLU A 79 -11.228 -4.525 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.103 -2.737 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.413 -4.477 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.284 -3.136 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.200 -3.000 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.112 -1.797 -1.878 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.245 -1.424 -5.166 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.596 -0.170 -5.526 1.00 0.00 C ATOM 1163 C ILE A 80 -10.406 0.587 -6.573 1.00 0.00 C ATOM 1164 O ILE A 80 -10.798 1.735 -6.360 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.173 -0.406 -6.066 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.302 -1.067 -4.996 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.556 0.907 -6.523 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -5.946 -1.502 -5.505 1.00 0.00 C ATOM 0 H ILE A 80 -9.676 -2.255 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.535 0.426 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.231 -1.075 -6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.164 -0.370 -4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.827 -1.935 -4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.551 0.724 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.168 1.341 -7.313 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.506 1.598 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.383 -1.962 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.075 -2.224 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.402 -0.634 -5.878 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.656 -0.064 -7.704 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.420 0.547 -8.785 1.00 0.00 C ATOM 1182 C ARG A 81 -12.800 0.978 -8.299 1.00 0.00 C ATOM 1183 O ARG A 81 -13.375 1.942 -8.804 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.561 -0.430 -9.954 1.00 0.00 C ATOM 1185 CG ARG A 81 -12.662 -1.459 -9.758 1.00 0.00 C ATOM 1186 CD ARG A 81 -12.564 -2.581 -10.780 1.00 0.00 C ATOM 1187 NE ARG A 81 -13.800 -3.355 -10.863 1.00 0.00 N ATOM 1188 CZ ARG A 81 -14.930 -2.882 -11.378 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -14.979 -1.645 -11.854 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -16.013 -3.647 -11.419 1.00 0.00 N ATOM 0 H ARG A 81 -10.341 -1.015 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.880 1.432 -9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.760 0.134 -10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -10.613 -0.948 -10.100 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.598 -1.875 -8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.634 -0.973 -9.841 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.333 -2.161 -11.759 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.739 -3.242 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.795 -4.311 -10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.148 -1.054 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.848 -1.284 -12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.979 -4.599 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.880 -3.283 -11.814 1.00 0.00 H new ATOM 1204 N SER A 82 -13.327 0.256 -7.315 1.00 0.00 N ATOM 1205 CA SER A 82 -14.642 0.561 -6.763 1.00 0.00 C ATOM 1206 C SER A 82 -14.801 2.061 -6.533 1.00 0.00 C ATOM 1207 O SER A 82 -15.800 2.659 -6.934 1.00 0.00 O ATOM 1208 CB SER A 82 -14.854 -0.193 -5.448 1.00 0.00 C ATOM 1209 OG SER A 82 -16.214 -0.155 -5.052 1.00 0.00 O ATOM 0 H SER A 82 -12.864 -0.544 -6.884 1.00 0.00 H new ATOM 0 HA SER A 82 -15.394 0.240 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.534 -1.229 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.232 0.247 -4.668 1.00 0.00 H new ATOM 0 HG SER A 82 -16.323 -0.645 -4.210 1.00 0.00 H new ATOM 1215 N CYS A 83 -13.809 2.662 -5.886 1.00 0.00 N ATOM 1216 CA CYS A 83 -13.837 4.092 -5.602 1.00 0.00 C ATOM 1217 C CYS A 83 -12.927 4.855 -6.560 1.00 0.00 C ATOM 1218 O CYS A 83 -11.708 4.897 -6.395 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.411 4.355 -4.157 1.00 0.00 C ATOM 1220 SG CYS A 83 -14.738 4.145 -2.947 1.00 0.00 S ATOM 0 H CYS A 83 -12.975 2.181 -5.548 1.00 0.00 H new ATOM 0 HA CYS A 83 -14.859 4.445 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.592 3.682 -3.903 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.024 5.371 -4.083 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.280 4.387 -1.755 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.531 5.472 -7.586 1.00 0.00 N ATOM 1227 CA PRO A 84 -12.794 6.243 -8.591 1.00 0.00 C ATOM 1228 C PRO A 84 -12.222 7.537 -8.023 1.00 0.00 C ATOM 1229 O PRO A 84 -11.109 7.938 -8.365 1.00 0.00 O ATOM 1230 CB PRO A 84 -13.855 6.548 -9.652 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.150 6.503 -8.917 1.00 0.00 C ATOM 1232 CD PRO A 84 -14.981 5.463 -7.844 1.00 0.00 C ATOM 0 HA PRO A 84 -11.933 5.695 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.691 7.525 -10.106 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.831 5.814 -10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.387 7.475 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.970 6.243 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.550 5.713 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.324 4.483 -8.176 1.00 0.00 H new ATOM 1240 N SER A 85 -12.989 8.187 -7.154 1.00 0.00 N ATOM 1241 CA SER A 85 -12.560 9.439 -6.541 1.00 0.00 C ATOM 1242 C SER A 85 -11.230 9.259 -5.814 1.00 0.00 C ATOM 1243 O SER A 85 -10.185 9.698 -6.293 1.00 0.00 O ATOM 1244 CB SER A 85 -13.623 9.945 -5.565 1.00 0.00 C ATOM 1245 OG SER A 85 -14.858 10.163 -6.225 1.00 0.00 O ATOM 0 H SER A 85 -13.911 7.867 -6.858 1.00 0.00 H new ATOM 0 HA SER A 85 -12.425 10.176 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.759 9.220 -4.762 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.285 10.873 -5.103 1.00 0.00 H new ATOM 0 HG SER A 85 -15.522 10.484 -5.579 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.280 8.610 -4.655 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.080 8.373 -3.861 1.00 0.00 C ATOM 1253 C GLU A 86 -10.083 6.963 -3.278 1.00 0.00 C ATOM 1254 O GLU A 86 -11.142 6.385 -3.030 1.00 0.00 O ATOM 1255 CB GLU A 86 -9.975 9.402 -2.734 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.204 10.653 -3.122 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.406 11.790 -2.139 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -8.971 11.654 -0.976 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -9.998 12.817 -2.534 1.00 0.00 O ATOM 0 H GLU A 86 -12.137 8.239 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.216 8.475 -4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -10.979 9.687 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.491 8.939 -1.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.142 10.416 -3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.518 10.976 -4.115 1.00 0.00 H new ATOM 1266 N ILE A 87 -8.891 6.415 -3.064 1.00 0.00 N ATOM 1267 CA ILE A 87 -8.757 5.073 -2.510 1.00 0.00 C ATOM 1268 C ILE A 87 -7.726 5.044 -1.387 1.00 0.00 C ATOM 1269 O ILE A 87 -6.649 5.628 -1.503 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.349 4.056 -3.592 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.030 4.474 -4.246 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.447 3.927 -4.638 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -5.809 3.907 -3.557 1.00 0.00 C ATOM 0 H ILE A 87 -8.005 6.879 -3.266 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.733 4.796 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.206 3.084 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.032 4.152 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.964 5.562 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.144 3.205 -5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.366 3.588 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.618 4.896 -5.108 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -4.910 4.244 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.783 4.250 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.852 2.818 -3.578 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.063 4.357 -0.300 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.166 4.249 0.843 1.00 0.00 C ATOM 1287 C ILE A 88 -6.556 2.854 0.933 1.00 0.00 C ATOM 1288 O ILE A 88 -7.272 1.852 0.966 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.894 4.564 2.163 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.627 5.903 2.059 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.909 4.581 3.321 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -7.699 7.089 1.910 1.00 0.00 C ATOM 0 H ILE A 88 -8.951 3.867 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.373 4.981 0.691 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.630 3.782 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.304 5.872 1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.241 6.042 2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.439 4.805 4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.429 3.606 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.151 5.344 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -8.287 8.005 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.039 7.145 2.775 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -7.102 6.973 1.005 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.230 2.795 0.973 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.522 1.523 1.062 1.00 0.00 C ATOM 1306 C LEU A 89 -3.406 1.591 2.099 1.00 0.00 C ATOM 1307 O LEU A 89 -2.663 2.571 2.163 1.00 0.00 O ATOM 1308 CB LEU A 89 -3.943 1.143 -0.303 1.00 0.00 C ATOM 1309 CG LEU A 89 -2.774 1.995 -0.797 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -1.942 1.224 -1.809 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.280 3.297 -1.400 1.00 0.00 C ATOM 0 H LEU A 89 -4.623 3.614 0.945 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.235 0.760 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.617 0.104 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.743 1.196 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.139 2.236 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.115 1.846 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.549 0.320 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.565 0.952 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.434 3.891 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.937 3.077 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.832 3.857 -0.645 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.292 0.543 2.908 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.265 0.483 3.941 1.00 0.00 C ATOM 1325 C LEU A 90 -1.240 -0.603 3.628 1.00 0.00 C ATOM 1326 O LEU A 90 -1.591 -1.770 3.451 1.00 0.00 O ATOM 1327 CB LEU A 90 -2.902 0.220 5.307 1.00 0.00 C ATOM 1328 CG LEU A 90 -1.933 -0.022 6.465 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.416 1.299 7.013 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.606 -0.831 7.564 1.00 0.00 C ATOM 0 H LEU A 90 -3.898 -0.276 2.868 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.752 1.445 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.534 1.071 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.556 -0.648 5.219 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.084 -0.593 6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.728 1.107 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.895 1.841 6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.254 1.897 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.901 -0.993 8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.474 -0.287 7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.926 -1.793 7.164 1.00 0.00 H new ATOM 1342 N VAL A 91 0.028 -0.211 3.562 1.00 0.00 N ATOM 1343 CA VAL A 91 1.105 -1.152 3.274 1.00 0.00 C ATOM 1344 C VAL A 91 2.152 -1.145 4.382 1.00 0.00 C ATOM 1345 O VAL A 91 2.129 -0.289 5.266 1.00 0.00 O ATOM 1346 CB VAL A 91 1.790 -0.826 1.933 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.811 -0.990 0.780 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.367 0.581 1.958 1.00 0.00 C ATOM 0 H VAL A 91 0.335 0.751 3.704 1.00 0.00 H new ATOM 0 HA VAL A 91 0.653 -2.142 3.212 1.00 0.00 H new ATOM 0 HB VAL A 91 2.611 -1.528 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.312 -0.756 -0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.451 -2.018 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.032 -0.314 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.847 0.794 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.566 1.300 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.102 0.659 2.759 1.00 0.00 H new ATOM 1358 N TRP A 92 3.069 -2.104 4.327 1.00 0.00 N ATOM 1359 CA TRP A 92 4.126 -2.209 5.326 1.00 0.00 C ATOM 1360 C TRP A 92 5.456 -1.720 4.765 1.00 0.00 C ATOM 1361 O TRP A 92 5.864 -2.119 3.674 1.00 0.00 O ATOM 1362 CB TRP A 92 4.261 -3.655 5.806 1.00 0.00 C ATOM 1363 CG TRP A 92 5.449 -3.878 6.693 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.725 -4.163 6.298 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.469 -3.836 8.124 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.537 -4.301 7.398 1.00 0.00 N ATOM 1367 CE2 TRP A 92 6.791 -4.104 8.530 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.500 -3.596 9.102 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.166 -4.140 9.870 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 4.873 -3.632 10.432 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.197 -3.901 10.806 1.00 0.00 C ATOM 0 H TRP A 92 3.102 -2.820 3.601 1.00 0.00 H new ATOM 0 HA TRP A 92 3.856 -1.577 6.172 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.356 -3.938 6.344 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.335 -4.312 4.940 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.048 -4.265 5.273 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.534 -4.515 7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.478 -3.386 8.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.185 -4.349 10.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.132 -3.450 11.196 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.457 -3.920 11.854 1.00 0.00 H new ATOM 1382 N ARG A 93 6.129 -0.854 5.516 1.00 0.00 N ATOM 1383 CA ARG A 93 7.413 -0.310 5.092 1.00 0.00 C ATOM 1384 C ARG A 93 8.413 -0.316 6.244 1.00 0.00 C ATOM 1385 O ARG A 93 8.070 0.012 7.380 1.00 0.00 O ATOM 1386 CB ARG A 93 7.238 1.114 4.561 1.00 0.00 C ATOM 1387 CG ARG A 93 8.429 1.617 3.763 1.00 0.00 C ATOM 1388 CD ARG A 93 8.117 2.932 3.066 1.00 0.00 C ATOM 1389 NE ARG A 93 6.940 2.830 2.207 1.00 0.00 N ATOM 1390 CZ ARG A 93 6.206 3.874 1.838 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.527 5.093 2.250 1.00 0.00 N ATOM 1392 NH2 ARG A 93 5.150 3.700 1.055 1.00 0.00 N ATOM 0 H ARG A 93 5.806 -0.514 6.422 1.00 0.00 H new ATOM 0 HA ARG A 93 7.801 -0.942 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.348 1.151 3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.064 1.787 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.283 1.750 4.427 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.714 0.870 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.954 3.709 3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.976 3.239 2.469 1.00 0.00 H new ATOM 0 HE ARG A 93 6.667 1.906 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.339 5.231 2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.962 5.893 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.901 2.764 0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.587 4.502 0.772 1.00 0.00 H new ATOM 1406 N VAL A 94 9.653 -0.691 5.944 1.00 0.00 N ATOM 1407 CA VAL A 94 10.703 -0.739 6.953 1.00 0.00 C ATOM 1408 C VAL A 94 11.736 0.359 6.725 1.00 0.00 C ATOM 1409 O VAL A 94 12.367 0.422 5.670 1.00 0.00 O ATOM 1410 CB VAL A 94 11.415 -2.105 6.958 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.524 -2.125 7.999 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.417 -3.225 7.209 1.00 0.00 C ATOM 0 H VAL A 94 9.954 -0.966 5.009 1.00 0.00 H new ATOM 0 HA VAL A 94 10.221 -0.585 7.918 1.00 0.00 H new ATOM 0 HB VAL A 94 11.866 -2.264 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.016 -3.098 7.988 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.253 -1.347 7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.099 -1.944 8.986 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.937 -4.183 7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.935 -3.073 8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.662 -3.222 6.423 1.00 0.00 H new ATOM 1422 N SER A 95 11.903 1.223 7.721 1.00 0.00 N ATOM 1423 CA SER A 95 12.857 2.322 7.628 1.00 0.00 C ATOM 1424 C SER A 95 14.225 1.900 8.156 1.00 0.00 C ATOM 1425 O SER A 95 14.324 1.174 9.144 1.00 0.00 O ATOM 1426 CB SER A 95 12.348 3.535 8.409 1.00 0.00 C ATOM 1427 OG SER A 95 13.372 4.501 8.575 1.00 0.00 O ATOM 0 H SER A 95 11.390 1.183 8.602 1.00 0.00 H new ATOM 0 HA SER A 95 12.960 2.593 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.504 3.982 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.983 3.216 9.385 1.00 0.00 H new ATOM 0 HG SER A 95 13.021 5.267 9.076 1.00 0.00 H new ATOM 1433 N GLY A 96 15.278 2.362 7.489 1.00 0.00 N ATOM 1434 CA GLY A 96 16.627 2.022 7.904 1.00 0.00 C ATOM 1435 C GLY A 96 17.603 2.004 6.745 1.00 0.00 C ATOM 1436 O GLY A 96 17.331 1.441 5.685 1.00 0.00 O ATOM 0 H GLY A 96 15.221 2.966 6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.966 2.741 8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.620 1.044 8.384 1.00 0.00 H new ATOM 1440 N PRO A 97 18.772 2.634 6.941 1.00 0.00 N ATOM 1441 CA PRO A 97 19.815 2.703 5.913 1.00 0.00 C ATOM 1442 C PRO A 97 20.474 1.350 5.665 1.00 0.00 C ATOM 1443 O PRO A 97 20.942 0.696 6.597 1.00 0.00 O ATOM 1444 CB PRO A 97 20.827 3.690 6.501 1.00 0.00 C ATOM 1445 CG PRO A 97 20.627 3.604 7.975 1.00 0.00 C ATOM 1446 CD PRO A 97 19.164 3.326 8.179 1.00 0.00 C ATOM 0 HA PRO A 97 19.415 3.007 4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 97 21.847 3.424 6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 97 20.651 4.702 6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 97 21.239 2.811 8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 97 20.919 4.534 8.463 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.992 2.705 9.058 1.00 0.00 H new ATOM 0 HD3 PRO A 97 18.596 4.246 8.322 1.00 0.00 H new ATOM 1454 N SER A 98 20.507 0.936 4.402 1.00 0.00 N ATOM 1455 CA SER A 98 21.105 -0.341 4.031 1.00 0.00 C ATOM 1456 C SER A 98 22.628 -0.245 4.025 1.00 0.00 C ATOM 1457 O SER A 98 23.309 -0.960 4.760 1.00 0.00 O ATOM 1458 CB SER A 98 20.605 -0.782 2.655 1.00 0.00 C ATOM 1459 OG SER A 98 21.276 -1.952 2.219 1.00 0.00 O ATOM 0 H SER A 98 20.126 1.467 3.618 1.00 0.00 H new ATOM 0 HA SER A 98 20.807 -1.083 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.532 -0.969 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.761 0.020 1.934 1.00 0.00 H new ATOM 0 HG SER A 98 20.937 -2.214 1.338 1.00 0.00 H new ATOM 1465 N SER A 99 23.155 0.643 3.188 1.00 0.00 N ATOM 1466 CA SER A 99 24.597 0.830 3.081 1.00 0.00 C ATOM 1467 C SER A 99 25.062 1.984 3.966 1.00 0.00 C ATOM 1468 O SER A 99 24.256 2.787 4.432 1.00 0.00 O ATOM 1469 CB SER A 99 24.992 1.096 1.628 1.00 0.00 C ATOM 1470 OG SER A 99 24.872 -0.078 0.843 1.00 0.00 O ATOM 0 H SER A 99 22.605 1.244 2.574 1.00 0.00 H new ATOM 0 HA SER A 99 25.083 -0.085 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 99 24.359 1.880 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 99 26.018 1.461 1.588 1.00 0.00 H new ATOM 0 HG SER A 99 25.129 0.119 -0.082 1.00 0.00 H new ATOM 1476 N GLY A 100 26.370 2.058 4.192 1.00 0.00 N ATOM 1477 CA GLY A 100 26.921 3.115 5.019 1.00 0.00 C ATOM 1478 C GLY A 100 27.762 2.579 6.161 1.00 0.00 C ATOM 1479 O GLY A 100 28.552 3.312 6.756 1.00 0.00 O ATOM 0 H GLY A 100 27.058 1.405 3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 100 27.531 3.775 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 100 26.107 3.718 5.423 1.00 0.00 H new TER 1483 GLY A 100