USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 966 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 58 TYR OH : rot 59:sc= 0.756 USER MOD Set 1.2: A 60 CYS SG : rot 20:sc= 0.675 USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= 0.0322 F(o=-1!,f=0.2) USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0.166 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 34:sc= 0.701 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 74:sc= 0.0143 USER MOD Single : A 24 TYR OH : rot 137:sc= 0.139 USER MOD Single : A 29 GLN : amide:sc= -1.97 K(o=-2,f=-11!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 19:sc= 0.275 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-2.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.038) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.73! C(o=-3.7!,f=-5.4!) USER MOD Single : A 71 TYR OH : rot 110:sc=-0.00134 USER MOD Single : A 73 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -29:sc= -0.339 USER MOD Single : A 82 ASN : amide:sc= -0.199 K(o=-0.2,f=-3.6!) USER MOD Single : A 87 SER OG : rot 180:sc= -0.022 USER MOD Single : A 90 GLN :FLIP amide:sc= -2.53 F(o=-3.9,f=-2.5) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 93 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 96 GLN : amide:sc= -0.641 K(o=-0.64,f=-2.9!) USER MOD Single : A 100 HIS : no HD1:sc= -0.923 X(o=-0.92,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -133:sc= -2.72! (180deg=-5.68!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -150:sc= -0.327 (180deg=-1.58!) USER MOD Single : A 119 LYS NZ :NH3+ -173:sc= -0.0203 (180deg=-0.11) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.070 29.929 16.676 1.00 0.00 N ATOM 2 CA GLY A 1 -10.103 28.859 16.517 1.00 0.00 C ATOM 3 C GLY A 1 -10.046 28.334 15.096 1.00 0.00 C ATOM 4 O GLY A 1 -8.984 28.319 14.475 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.070 30.253 17.664 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.816 30.722 16.052 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.017 29.581 16.426 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.116 29.219 16.808 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.356 28.042 17.193 1.00 0.00 H new ATOM 8 N SER A 2 -11.192 27.901 14.581 1.00 0.00 N ATOM 9 CA SER A 2 -11.268 27.368 13.226 1.00 0.00 C ATOM 10 C SER A 2 -10.881 28.430 12.202 1.00 0.00 C ATOM 11 O SER A 2 -10.701 29.599 12.541 1.00 0.00 O ATOM 12 CB SER A 2 -12.680 26.854 12.936 1.00 0.00 C ATOM 13 OG SER A 2 -13.634 27.896 13.044 1.00 0.00 O ATOM 0 H SER A 2 -12.081 27.909 15.082 1.00 0.00 H new ATOM 0 HA SER A 2 -10.564 26.539 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.716 26.426 11.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.930 26.054 13.633 1.00 0.00 H new ATOM 0 HG SER A 2 -14.528 27.542 12.852 1.00 0.00 H new ATOM 19 N SER A 3 -10.753 28.013 10.946 1.00 0.00 N ATOM 20 CA SER A 3 -10.383 28.927 9.871 1.00 0.00 C ATOM 21 C SER A 3 -11.295 28.741 8.662 1.00 0.00 C ATOM 22 O SER A 3 -11.845 27.662 8.445 1.00 0.00 O ATOM 23 CB SER A 3 -8.925 28.705 9.464 1.00 0.00 C ATOM 24 OG SER A 3 -8.049 28.948 10.550 1.00 0.00 O ATOM 0 H SER A 3 -10.900 27.049 10.648 1.00 0.00 H new ATOM 0 HA SER A 3 -10.499 29.947 10.238 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.795 27.682 9.110 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.672 29.364 8.634 1.00 0.00 H new ATOM 0 HG SER A 3 -7.124 28.798 10.264 1.00 0.00 H new ATOM 30 N GLY A 4 -11.450 29.802 7.876 1.00 0.00 N ATOM 31 CA GLY A 4 -12.295 29.737 6.699 1.00 0.00 C ATOM 32 C GLY A 4 -12.290 31.030 5.909 1.00 0.00 C ATOM 33 O GLY A 4 -13.330 31.470 5.417 1.00 0.00 O ATOM 0 H GLY A 4 -11.005 30.706 8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.958 28.922 6.058 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.316 29.503 7.001 1.00 0.00 H new ATOM 37 N SER A 5 -11.117 31.643 5.787 1.00 0.00 N ATOM 38 CA SER A 5 -10.982 32.898 5.056 1.00 0.00 C ATOM 39 C SER A 5 -9.731 32.886 4.184 1.00 0.00 C ATOM 40 O SER A 5 -8.737 32.238 4.513 1.00 0.00 O ATOM 41 CB SER A 5 -10.928 34.077 6.029 1.00 0.00 C ATOM 42 OG SER A 5 -11.330 35.279 5.397 1.00 0.00 O ATOM 0 H SER A 5 -10.246 31.291 6.185 1.00 0.00 H new ATOM 0 HA SER A 5 -11.853 33.009 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.575 33.878 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.915 34.187 6.416 1.00 0.00 H new ATOM 0 HG SER A 5 -11.288 36.017 6.041 1.00 0.00 H new ATOM 48 N SER A 6 -9.787 33.607 3.069 1.00 0.00 N ATOM 49 CA SER A 6 -8.660 33.678 2.146 1.00 0.00 C ATOM 50 C SER A 6 -7.415 34.210 2.848 1.00 0.00 C ATOM 51 O SER A 6 -7.335 35.391 3.183 1.00 0.00 O ATOM 52 CB SER A 6 -9.007 34.570 0.952 1.00 0.00 C ATOM 53 OG SER A 6 -9.309 35.889 1.372 1.00 0.00 O ATOM 0 H SER A 6 -10.601 34.151 2.783 1.00 0.00 H new ATOM 0 HA SER A 6 -8.451 32.670 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.170 34.590 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.859 34.151 0.417 1.00 0.00 H new ATOM 0 HG SER A 6 -8.764 36.116 2.154 1.00 0.00 H new ATOM 59 N GLY A 7 -6.445 33.328 3.069 1.00 0.00 N ATOM 60 CA GLY A 7 -5.216 33.727 3.731 1.00 0.00 C ATOM 61 C GLY A 7 -4.039 32.855 3.341 1.00 0.00 C ATOM 62 O GLY A 7 -4.076 32.173 2.317 1.00 0.00 O ATOM 0 H GLY A 7 -6.488 32.345 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.994 34.765 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.357 33.681 4.811 1.00 0.00 H new ATOM 66 N GLU A 8 -2.991 32.879 4.158 1.00 0.00 N ATOM 67 CA GLU A 8 -1.796 32.087 3.891 1.00 0.00 C ATOM 68 C GLU A 8 -2.164 30.644 3.556 1.00 0.00 C ATOM 69 O GLU A 8 -3.197 30.139 3.994 1.00 0.00 O ATOM 70 CB GLU A 8 -0.856 32.118 5.097 1.00 0.00 C ATOM 71 CG GLU A 8 -1.380 31.346 6.297 1.00 0.00 C ATOM 72 CD GLU A 8 -2.275 32.187 7.186 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.393 32.531 6.748 1.00 0.00 O ATOM 74 OE2 GLU A 8 -1.858 32.501 8.321 1.00 0.00 O ATOM 0 H GLU A 8 -2.945 33.438 5.010 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.287 32.523 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 8 0.110 31.707 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.686 33.155 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.935 30.475 5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.538 30.975 6.882 1.00 0.00 H new ATOM 81 N GLU A 9 -1.312 29.988 2.775 1.00 0.00 N ATOM 82 CA GLU A 9 -1.548 28.604 2.380 1.00 0.00 C ATOM 83 C GLU A 9 -0.432 27.695 2.888 1.00 0.00 C ATOM 84 O GLU A 9 0.666 28.157 3.198 1.00 0.00 O ATOM 85 CB GLU A 9 -1.656 28.496 0.858 1.00 0.00 C ATOM 86 CG GLU A 9 -2.890 29.173 0.286 1.00 0.00 C ATOM 87 CD GLU A 9 -4.168 28.732 0.972 1.00 0.00 C ATOM 88 OE1 GLU A 9 -4.618 27.596 0.713 1.00 0.00 O ATOM 89 OE2 GLU A 9 -4.718 29.522 1.767 1.00 0.00 O ATOM 0 H GLU A 9 -0.452 30.392 2.403 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.488 28.281 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.768 28.938 0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.666 27.443 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.785 30.254 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.959 28.953 -0.779 1.00 0.00 H new ATOM 96 N ASP A 10 -0.723 26.402 2.970 1.00 0.00 N ATOM 97 CA ASP A 10 0.255 25.427 3.440 1.00 0.00 C ATOM 98 C ASP A 10 -0.130 24.017 3.003 1.00 0.00 C ATOM 99 O ASP A 10 -1.167 23.814 2.371 1.00 0.00 O ATOM 100 CB ASP A 10 0.376 25.487 4.963 1.00 0.00 C ATOM 101 CG ASP A 10 0.283 26.903 5.496 1.00 0.00 C ATOM 102 OD1 ASP A 10 -0.847 27.365 5.759 1.00 0.00 O ATOM 103 OD2 ASP A 10 1.340 27.549 5.651 1.00 0.00 O ATOM 0 H ASP A 10 -1.628 26.004 2.717 1.00 0.00 H new ATOM 0 HA ASP A 10 1.220 25.675 2.997 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.411 24.881 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.327 25.049 5.266 1.00 0.00 H new ATOM 108 N TRP A 11 0.712 23.047 3.342 1.00 0.00 N ATOM 109 CA TRP A 11 0.460 21.656 2.983 1.00 0.00 C ATOM 110 C TRP A 11 1.222 20.710 3.904 1.00 0.00 C ATOM 111 O TRP A 11 2.450 20.644 3.864 1.00 0.00 O ATOM 112 CB TRP A 11 0.858 21.403 1.528 1.00 0.00 C ATOM 113 CG TRP A 11 0.088 20.288 0.887 1.00 0.00 C ATOM 114 CD1 TRP A 11 -0.765 19.420 1.506 1.00 0.00 C ATOM 115 CD2 TRP A 11 0.103 19.922 -0.497 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.282 18.535 0.590 1.00 0.00 N ATOM 117 CE2 TRP A 11 -0.766 18.823 -0.646 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.763 20.417 -1.625 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -0.988 18.212 -1.878 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.542 19.809 -2.846 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.328 18.717 -2.965 1.00 0.00 C ATOM 0 H TRP A 11 1.575 23.198 3.865 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.607 21.464 3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.707 22.317 0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.922 21.172 1.485 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.999 19.428 2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.942 17.786 0.797 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.434 21.260 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.657 17.370 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.049 20.182 -3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -0.481 18.265 -3.934 1.00 0.00 H new ATOM 132 N VAL A 12 0.485 19.978 4.734 1.00 0.00 N ATOM 133 CA VAL A 12 1.092 19.034 5.665 1.00 0.00 C ATOM 134 C VAL A 12 1.625 17.807 4.933 1.00 0.00 C ATOM 135 O VAL A 12 2.570 17.161 5.389 1.00 0.00 O ATOM 136 CB VAL A 12 0.087 18.581 6.740 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.111 17.898 6.097 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.761 17.658 7.744 1.00 0.00 C ATOM 0 H VAL A 12 -0.533 20.021 4.781 1.00 0.00 H new ATOM 0 HA VAL A 12 1.919 19.553 6.148 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.270 19.462 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.810 17.585 6.872 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.607 18.594 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.775 17.025 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.036 17.348 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.147 16.779 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.583 18.185 8.228 1.00 0.00 H new ATOM 148 N LEU A 13 1.015 17.491 3.797 1.00 0.00 N ATOM 149 CA LEU A 13 1.428 16.341 3.000 1.00 0.00 C ATOM 150 C LEU A 13 2.938 16.342 2.786 1.00 0.00 C ATOM 151 O LEU A 13 3.646 15.415 3.182 1.00 0.00 O ATOM 152 CB LEU A 13 0.710 16.347 1.649 1.00 0.00 C ATOM 153 CG LEU A 13 1.500 15.785 0.467 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.684 14.283 0.614 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.802 16.113 -0.845 1.00 0.00 C ATOM 0 H LEU A 13 0.232 18.015 3.406 1.00 0.00 H new ATOM 0 HA LEU A 13 1.157 15.436 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.213 15.776 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.426 17.373 1.416 1.00 0.00 H new ATOM 0 HG LEU A 13 2.485 16.252 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.248 13.901 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.227 14.071 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.708 13.799 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.378 15.705 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.196 15.674 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.723 17.195 -0.955 1.00 0.00 H new ATOM 167 N PRO A 14 3.445 17.406 2.147 1.00 0.00 N ATOM 168 CA PRO A 14 4.877 17.554 1.868 1.00 0.00 C ATOM 169 C PRO A 14 5.691 17.803 3.134 1.00 0.00 C ATOM 170 O PRO A 14 6.921 17.797 3.103 1.00 0.00 O ATOM 171 CB PRO A 14 4.934 18.775 0.947 1.00 0.00 C ATOM 172 CG PRO A 14 3.711 19.558 1.278 1.00 0.00 C ATOM 173 CD PRO A 14 2.660 18.547 1.647 1.00 0.00 C ATOM 0 HA PRO A 14 5.303 16.652 1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.837 19.360 1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.943 18.479 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.899 20.245 2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.391 20.161 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.981 18.932 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.050 18.269 0.787 1.00 0.00 H new ATOM 181 N SER A 15 4.996 18.022 4.245 1.00 0.00 N ATOM 182 CA SER A 15 5.655 18.276 5.521 1.00 0.00 C ATOM 183 C SER A 15 6.019 16.967 6.215 1.00 0.00 C ATOM 184 O SER A 15 7.115 16.824 6.756 1.00 0.00 O ATOM 185 CB SER A 15 4.751 19.113 6.428 1.00 0.00 C ATOM 186 OG SER A 15 5.504 19.769 7.434 1.00 0.00 O ATOM 0 H SER A 15 3.977 18.029 4.288 1.00 0.00 H new ATOM 0 HA SER A 15 6.573 18.830 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.215 19.851 5.831 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.001 18.472 6.891 1.00 0.00 H new ATOM 0 HG SER A 15 4.903 20.299 7.999 1.00 0.00 H new ATOM 192 N GLU A 16 5.091 16.015 6.194 1.00 0.00 N ATOM 193 CA GLU A 16 5.314 14.718 6.822 1.00 0.00 C ATOM 194 C GLU A 16 6.226 13.847 5.963 1.00 0.00 C ATOM 195 O GLU A 16 7.131 13.185 6.472 1.00 0.00 O ATOM 196 CB GLU A 16 3.981 14.004 7.056 1.00 0.00 C ATOM 197 CG GLU A 16 4.134 12.587 7.582 1.00 0.00 C ATOM 198 CD GLU A 16 4.691 12.545 8.992 1.00 0.00 C ATOM 199 OE1 GLU A 16 5.737 13.181 9.236 1.00 0.00 O ATOM 200 OE2 GLU A 16 4.080 11.875 9.851 1.00 0.00 O ATOM 0 H GLU A 16 4.179 16.118 5.749 1.00 0.00 H new ATOM 0 HA GLU A 16 5.801 14.887 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.388 14.583 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.424 13.977 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.164 12.090 7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.792 12.026 6.918 1.00 0.00 H new ATOM 207 N VAL A 17 5.981 13.853 4.656 1.00 0.00 N ATOM 208 CA VAL A 17 6.780 13.065 3.725 1.00 0.00 C ATOM 209 C VAL A 17 8.265 13.164 4.055 1.00 0.00 C ATOM 210 O VAL A 17 8.980 12.163 4.048 1.00 0.00 O ATOM 211 CB VAL A 17 6.556 13.519 2.271 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.448 12.732 1.323 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.092 13.370 1.885 1.00 0.00 C ATOM 0 H VAL A 17 5.236 14.395 4.218 1.00 0.00 H new ATOM 0 HA VAL A 17 6.457 12.029 3.828 1.00 0.00 H new ATOM 0 HB VAL A 17 6.823 14.573 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.276 13.066 0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.493 12.895 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.215 11.670 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.953 13.696 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.795 12.325 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.478 13.982 2.545 1.00 0.00 H new ATOM 223 N GLU A 18 8.722 14.379 4.343 1.00 0.00 N ATOM 224 CA GLU A 18 10.123 14.609 4.675 1.00 0.00 C ATOM 225 C GLU A 18 10.583 13.662 5.780 1.00 0.00 C ATOM 226 O GLU A 18 11.695 13.136 5.739 1.00 0.00 O ATOM 227 CB GLU A 18 10.336 16.060 5.111 1.00 0.00 C ATOM 228 CG GLU A 18 10.086 17.071 4.005 1.00 0.00 C ATOM 229 CD GLU A 18 11.273 17.222 3.073 1.00 0.00 C ATOM 230 OE1 GLU A 18 12.280 17.832 3.490 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.196 16.730 1.928 1.00 0.00 O ATOM 0 H GLU A 18 8.143 15.218 4.353 1.00 0.00 H new ATOM 0 HA GLU A 18 10.717 14.415 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.674 16.280 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.358 16.175 5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.213 16.765 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.852 18.039 4.449 1.00 0.00 H new ATOM 238 N VAL A 19 9.718 13.449 6.767 1.00 0.00 N ATOM 239 CA VAL A 19 10.034 12.566 7.883 1.00 0.00 C ATOM 240 C VAL A 19 9.884 11.102 7.484 1.00 0.00 C ATOM 241 O VAL A 19 10.731 10.268 7.811 1.00 0.00 O ATOM 242 CB VAL A 19 9.130 12.850 9.097 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.447 11.891 10.235 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.285 14.295 9.548 1.00 0.00 C ATOM 0 H VAL A 19 8.793 13.876 6.816 1.00 0.00 H new ATOM 0 HA VAL A 19 11.071 12.761 8.158 1.00 0.00 H new ATOM 0 HB VAL A 19 8.093 12.694 8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.798 12.107 11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.282 10.866 9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.488 12.012 10.534 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.639 14.479 10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.322 14.480 9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.004 14.963 8.733 1.00 0.00 H new ATOM 254 N LEU A 20 8.803 10.795 6.776 1.00 0.00 N ATOM 255 CA LEU A 20 8.542 9.430 6.331 1.00 0.00 C ATOM 256 C LEU A 20 9.720 8.883 5.532 1.00 0.00 C ATOM 257 O LEU A 20 10.290 7.849 5.878 1.00 0.00 O ATOM 258 CB LEU A 20 7.270 9.384 5.483 1.00 0.00 C ATOM 259 CG LEU A 20 5.953 9.572 6.237 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.802 9.763 5.261 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.688 8.385 7.151 1.00 0.00 C ATOM 0 H LEU A 20 8.093 11.472 6.498 1.00 0.00 H new ATOM 0 HA LEU A 20 8.405 8.806 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.340 10.156 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.236 8.425 4.967 1.00 0.00 H new ATOM 0 HG LEU A 20 6.033 10.468 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.873 9.895 5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.987 10.645 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.720 8.886 4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.747 8.536 7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.628 7.474 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.499 8.294 7.873 1.00 0.00 H new ATOM 273 N GLU A 21 10.080 9.586 4.462 1.00 0.00 N ATOM 274 CA GLU A 21 11.192 9.170 3.615 1.00 0.00 C ATOM 275 C GLU A 21 12.366 8.681 4.459 1.00 0.00 C ATOM 276 O GLU A 21 12.937 7.623 4.194 1.00 0.00 O ATOM 277 CB GLU A 21 11.640 10.327 2.720 1.00 0.00 C ATOM 278 CG GLU A 21 10.734 10.556 1.522 1.00 0.00 C ATOM 279 CD GLU A 21 11.064 11.835 0.777 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.826 12.926 1.336 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.561 11.744 -0.365 1.00 0.00 O ATOM 0 H GLU A 21 9.619 10.445 4.162 1.00 0.00 H new ATOM 0 HA GLU A 21 10.850 8.346 2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.681 11.240 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.652 10.131 2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.819 9.710 0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.697 10.592 1.857 1.00 0.00 H new ATOM 288 N SER A 22 12.721 9.460 5.476 1.00 0.00 N ATOM 289 CA SER A 22 13.829 9.110 6.357 1.00 0.00 C ATOM 290 C SER A 22 13.748 7.645 6.776 1.00 0.00 C ATOM 291 O SER A 22 14.753 6.934 6.783 1.00 0.00 O ATOM 292 CB SER A 22 13.827 10.007 7.596 1.00 0.00 C ATOM 293 OG SER A 22 13.993 11.369 7.239 1.00 0.00 O ATOM 0 H SER A 22 12.257 10.338 5.710 1.00 0.00 H new ATOM 0 HA SER A 22 14.759 9.263 5.809 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.890 9.881 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.628 9.704 8.270 1.00 0.00 H new ATOM 0 HG SER A 22 13.163 11.707 6.843 1.00 0.00 H new ATOM 299 N ILE A 23 12.545 7.202 7.124 1.00 0.00 N ATOM 300 CA ILE A 23 12.332 5.822 7.543 1.00 0.00 C ATOM 301 C ILE A 23 12.111 4.910 6.341 1.00 0.00 C ATOM 302 O ILE A 23 12.806 3.908 6.173 1.00 0.00 O ATOM 303 CB ILE A 23 11.125 5.703 8.493 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.336 6.573 9.733 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.905 4.250 8.890 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.048 7.090 10.335 1.00 0.00 C ATOM 0 H ILE A 23 11.703 7.778 7.124 1.00 0.00 H new ATOM 0 HA ILE A 23 13.233 5.510 8.071 1.00 0.00 H new ATOM 0 HB ILE A 23 10.235 6.056 7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.873 5.995 10.485 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.970 7.420 9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.049 4.182 9.561 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.715 3.654 7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.794 3.872 9.396 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.274 7.699 11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.519 7.695 9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.421 6.249 10.630 1.00 0.00 H new ATOM 318 N TYR A 24 11.140 5.265 5.507 1.00 0.00 N ATOM 319 CA TYR A 24 10.826 4.478 4.320 1.00 0.00 C ATOM 320 C TYR A 24 11.626 4.967 3.117 1.00 0.00 C ATOM 321 O TYR A 24 11.110 5.038 2.000 1.00 0.00 O ATOM 322 CB TYR A 24 9.329 4.551 4.015 1.00 0.00 C ATOM 323 CG TYR A 24 8.452 4.234 5.205 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.578 3.027 5.884 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.499 5.140 5.653 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.779 2.733 6.971 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.696 4.854 6.740 1.00 0.00 C ATOM 328 CZ TYR A 24 6.839 3.649 7.395 1.00 0.00 C ATOM 329 OH TYR A 24 6.042 3.360 8.479 1.00 0.00 O ATOM 0 H TYR A 24 10.557 6.093 5.631 1.00 0.00 H new ATOM 0 HA TYR A 24 11.099 3.442 4.519 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.089 5.551 3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.097 3.856 3.208 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.313 2.307 5.556 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.384 6.085 5.142 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.890 1.791 7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.960 5.570 7.075 1.00 0.00 H new ATOM 0 HH TYR A 24 5.976 4.149 9.056 1.00 0.00 H new ATOM 339 N LEU A 25 12.890 5.301 3.351 1.00 0.00 N ATOM 340 CA LEU A 25 13.765 5.781 2.287 1.00 0.00 C ATOM 341 C LEU A 25 13.490 5.043 0.981 1.00 0.00 C ATOM 342 O LEU A 25 13.159 5.657 -0.034 1.00 0.00 O ATOM 343 CB LEU A 25 15.231 5.607 2.686 1.00 0.00 C ATOM 344 CG LEU A 25 15.787 6.639 3.667 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.073 6.134 4.302 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.022 7.969 2.966 1.00 0.00 C ATOM 0 H LEU A 25 13.332 5.248 4.269 1.00 0.00 H new ATOM 0 HA LEU A 25 13.561 6.841 2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.352 4.616 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.838 5.631 1.781 1.00 0.00 H new ATOM 0 HG LEU A 25 15.052 6.793 4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.454 6.882 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.874 5.207 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.815 5.950 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.418 8.692 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.737 7.831 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.080 8.338 2.561 1.00 0.00 H new ATOM 358 N ASP A 26 13.627 3.722 1.014 1.00 0.00 N ATOM 359 CA ASP A 26 13.391 2.898 -0.166 1.00 0.00 C ATOM 360 C ASP A 26 12.034 2.206 -0.082 1.00 0.00 C ATOM 361 O ASP A 26 11.260 2.220 -1.038 1.00 0.00 O ATOM 362 CB ASP A 26 14.500 1.857 -0.318 1.00 0.00 C ATOM 363 CG ASP A 26 15.782 2.452 -0.868 1.00 0.00 C ATOM 364 OD1 ASP A 26 16.085 3.617 -0.535 1.00 0.00 O ATOM 365 OD2 ASP A 26 16.481 1.753 -1.631 1.00 0.00 O ATOM 0 H ASP A 26 13.900 3.199 1.846 1.00 0.00 H new ATOM 0 HA ASP A 26 13.394 3.549 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.701 1.401 0.651 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.159 1.061 -0.980 1.00 0.00 H new ATOM 370 N GLU A 27 11.754 1.600 1.068 1.00 0.00 N ATOM 371 CA GLU A 27 10.492 0.900 1.274 1.00 0.00 C ATOM 372 C GLU A 27 9.336 1.661 0.630 1.00 0.00 C ATOM 373 O GLU A 27 8.458 1.066 0.005 1.00 0.00 O ATOM 374 CB GLU A 27 10.224 0.716 2.770 1.00 0.00 C ATOM 375 CG GLU A 27 11.331 -0.028 3.499 1.00 0.00 C ATOM 376 CD GLU A 27 11.124 -0.056 5.000 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.051 -0.518 5.442 1.00 0.00 O ATOM 378 OE2 GLU A 27 12.034 0.384 5.734 1.00 0.00 O ATOM 0 H GLU A 27 12.384 1.580 1.870 1.00 0.00 H new ATOM 0 HA GLU A 27 10.568 -0.079 0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.092 1.695 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.287 0.174 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.385 -1.050 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.288 0.444 3.277 1.00 0.00 H new ATOM 385 N LEU A 28 9.344 2.980 0.788 1.00 0.00 N ATOM 386 CA LEU A 28 8.297 3.824 0.222 1.00 0.00 C ATOM 387 C LEU A 28 8.884 4.845 -0.747 1.00 0.00 C ATOM 388 O LEU A 28 10.006 5.315 -0.563 1.00 0.00 O ATOM 389 CB LEU A 28 7.535 4.542 1.338 1.00 0.00 C ATOM 390 CG LEU A 28 6.417 5.483 0.889 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.319 5.547 1.939 1.00 0.00 C ATOM 392 CD2 LEU A 28 6.969 6.873 0.607 1.00 0.00 C ATOM 0 H LEU A 28 10.063 3.488 1.303 1.00 0.00 H new ATOM 0 HA LEU A 28 7.607 3.184 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.106 3.790 2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.250 5.115 1.928 1.00 0.00 H new ATOM 0 HG LEU A 28 5.988 5.091 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.532 6.222 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.903 4.551 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.734 5.914 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.159 7.529 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.426 7.274 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.719 6.814 -0.182 1.00 0.00 H new ATOM 404 N GLN A 29 8.117 5.184 -1.778 1.00 0.00 N ATOM 405 CA GLN A 29 8.561 6.151 -2.775 1.00 0.00 C ATOM 406 C GLN A 29 7.611 7.342 -2.840 1.00 0.00 C ATOM 407 O GLN A 29 6.396 7.188 -2.710 1.00 0.00 O ATOM 408 CB GLN A 29 8.662 5.488 -4.150 1.00 0.00 C ATOM 409 CG GLN A 29 9.990 4.789 -4.392 1.00 0.00 C ATOM 410 CD GLN A 29 10.000 3.362 -3.882 1.00 0.00 C ATOM 411 OE1 GLN A 29 9.528 3.080 -2.781 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.541 2.451 -4.683 1.00 0.00 N ATOM 0 H GLN A 29 7.185 4.804 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 29 9.546 6.512 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.855 4.763 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.513 6.244 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.208 4.791 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.786 5.351 -3.904 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.921 2.729 -5.588 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.577 1.474 -4.393 1.00 0.00 H new ATOM 421 N VAL A 30 8.172 8.530 -3.042 1.00 0.00 N ATOM 422 CA VAL A 30 7.375 9.748 -3.125 1.00 0.00 C ATOM 423 C VAL A 30 7.631 10.484 -4.435 1.00 0.00 C ATOM 424 O VAL A 30 8.763 10.536 -4.918 1.00 0.00 O ATOM 425 CB VAL A 30 7.674 10.696 -1.948 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.908 12.001 -2.106 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.335 10.026 -0.625 1.00 0.00 C ATOM 0 H VAL A 30 9.176 8.675 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 30 6.329 9.445 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 30 8.740 10.925 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.131 12.658 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.205 12.487 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.838 11.794 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.552 10.710 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.277 9.766 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.933 9.122 -0.511 1.00 0.00 H new ATOM 437 N ILE A 31 6.574 11.053 -5.004 1.00 0.00 N ATOM 438 CA ILE A 31 6.685 11.788 -6.258 1.00 0.00 C ATOM 439 C ILE A 31 6.230 13.234 -6.089 1.00 0.00 C ATOM 440 O ILE A 31 5.038 13.535 -6.165 1.00 0.00 O ATOM 441 CB ILE A 31 5.855 11.127 -7.374 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.266 9.663 -7.546 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.024 11.888 -8.681 1.00 0.00 C ATOM 444 CD1 ILE A 31 5.800 8.769 -6.419 1.00 0.00 C ATOM 0 H ILE A 31 5.631 11.019 -4.617 1.00 0.00 H new ATOM 0 HA ILE A 31 7.737 11.771 -6.542 1.00 0.00 H new ATOM 0 HB ILE A 31 4.803 11.158 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.862 9.289 -8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.352 9.605 -7.620 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.431 11.409 -9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.687 12.916 -8.550 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.075 11.885 -8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.127 7.746 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.225 9.118 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.712 8.797 -6.358 1.00 0.00 H new ATOM 456 N LYS A 32 7.187 14.127 -5.862 1.00 0.00 N ATOM 457 CA LYS A 32 6.887 15.543 -5.686 1.00 0.00 C ATOM 458 C LYS A 32 6.175 16.105 -6.912 1.00 0.00 C ATOM 459 O LYS A 32 6.790 16.316 -7.957 1.00 0.00 O ATOM 460 CB LYS A 32 8.173 16.330 -5.425 1.00 0.00 C ATOM 461 CG LYS A 32 8.540 16.425 -3.954 1.00 0.00 C ATOM 462 CD LYS A 32 9.019 15.090 -3.411 1.00 0.00 C ATOM 463 CE LYS A 32 9.009 15.071 -1.890 1.00 0.00 C ATOM 464 NZ LYS A 32 10.098 15.908 -1.317 1.00 0.00 N ATOM 0 H LYS A 32 8.178 13.895 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 32 6.226 15.644 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.994 15.859 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.062 17.336 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.321 17.174 -3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.674 16.761 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.381 14.292 -3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.028 14.890 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.046 15.432 -1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.117 14.045 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.057 15.868 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.019 15.549 -1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.981 16.893 -1.631 1.00 0.00 H new ATOM 478 N GLY A 33 4.874 16.347 -6.777 1.00 0.00 N ATOM 479 CA GLY A 33 4.101 16.883 -7.882 1.00 0.00 C ATOM 480 C GLY A 33 4.780 18.065 -8.545 1.00 0.00 C ATOM 481 O GLY A 33 4.931 19.124 -7.937 1.00 0.00 O ATOM 0 H GLY A 33 4.342 16.181 -5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.939 16.099 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.119 17.188 -7.520 1.00 0.00 H new ATOM 485 N ASN A 34 5.193 17.884 -9.795 1.00 0.00 N ATOM 486 CA ASN A 34 5.862 18.943 -10.541 1.00 0.00 C ATOM 487 C ASN A 34 4.990 20.193 -10.613 1.00 0.00 C ATOM 488 O ASN A 34 5.472 21.310 -10.434 1.00 0.00 O ATOM 489 CB ASN A 34 6.204 18.464 -11.953 1.00 0.00 C ATOM 490 CG ASN A 34 7.403 17.536 -11.975 1.00 0.00 C ATOM 491 OD1 ASN A 34 7.282 16.341 -11.707 1.00 0.00 O ATOM 492 ND2 ASN A 34 8.570 18.085 -12.294 1.00 0.00 N ATOM 0 H ASN A 34 5.076 17.013 -10.313 1.00 0.00 H new ATOM 0 HA ASN A 34 6.784 19.195 -10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.342 17.949 -12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.405 19.327 -12.588 1.00 0.00 H new ATOM 0 HD21 ASN A 34 9.413 17.511 -12.324 1.00 0.00 H new ATOM 0 HD22 ASN A 34 8.623 19.081 -12.509 1.00 0.00 H new ATOM 499 N GLY A 35 3.702 19.994 -10.876 1.00 0.00 N ATOM 500 CA GLY A 35 2.782 21.113 -10.966 1.00 0.00 C ATOM 501 C GLY A 35 2.167 21.468 -9.627 1.00 0.00 C ATOM 502 O GLY A 35 2.836 21.411 -8.595 1.00 0.00 O ATOM 0 H GLY A 35 3.279 19.078 -11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.309 21.981 -11.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.989 20.871 -11.674 1.00 0.00 H new ATOM 506 N ARG A 36 0.890 21.836 -9.642 1.00 0.00 N ATOM 507 CA ARG A 36 0.186 22.205 -8.420 1.00 0.00 C ATOM 508 C ARG A 36 -1.182 21.532 -8.357 1.00 0.00 C ATOM 509 O ARG A 36 -1.590 21.027 -7.310 1.00 0.00 O ATOM 510 CB ARG A 36 0.023 23.724 -8.338 1.00 0.00 C ATOM 511 CG ARG A 36 -0.445 24.214 -6.978 1.00 0.00 C ATOM 512 CD ARG A 36 -1.949 24.054 -6.816 1.00 0.00 C ATOM 513 NE ARG A 36 -2.512 25.056 -5.915 1.00 0.00 N ATOM 514 CZ ARG A 36 -2.637 26.340 -6.230 1.00 0.00 C ATOM 515 NH1 ARG A 36 -2.241 26.776 -7.418 1.00 0.00 N ATOM 516 NH2 ARG A 36 -3.159 27.191 -5.356 1.00 0.00 N ATOM 0 H ARG A 36 0.322 21.887 -10.487 1.00 0.00 H new ATOM 0 HA ARG A 36 0.780 21.864 -7.572 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.976 24.196 -8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.691 24.046 -9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.068 23.658 -6.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.174 25.263 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.429 24.133 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.168 23.058 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.826 24.753 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.839 26.125 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.338 27.763 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.465 26.859 -4.441 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.255 28.177 -5.599 1.00 0.00 H new ATOM 530 N THR A 37 -1.887 21.528 -9.484 1.00 0.00 N ATOM 531 CA THR A 37 -3.209 20.919 -9.556 1.00 0.00 C ATOM 532 C THR A 37 -3.110 19.421 -9.820 1.00 0.00 C ATOM 533 O THR A 37 -4.009 18.825 -10.413 1.00 0.00 O ATOM 534 CB THR A 37 -4.066 21.567 -10.659 1.00 0.00 C ATOM 535 OG1 THR A 37 -3.555 21.213 -11.949 1.00 0.00 O ATOM 536 CG2 THR A 37 -4.082 23.081 -10.513 1.00 0.00 C ATOM 0 H THR A 37 -1.564 21.940 -10.360 1.00 0.00 H new ATOM 0 HA THR A 37 -3.687 21.085 -8.590 1.00 0.00 H new ATOM 0 HB THR A 37 -5.086 21.197 -10.559 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.107 21.628 -12.645 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.694 23.516 -11.303 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.499 23.349 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.065 23.465 -10.589 1.00 0.00 H new ATOM 544 N SER A 38 -2.013 18.817 -9.374 1.00 0.00 N ATOM 545 CA SER A 38 -1.796 17.388 -9.565 1.00 0.00 C ATOM 546 C SER A 38 -1.673 16.673 -8.223 1.00 0.00 C ATOM 547 O SER A 38 -0.907 17.073 -7.346 1.00 0.00 O ATOM 548 CB SER A 38 -0.536 17.149 -10.400 1.00 0.00 C ATOM 549 OG SER A 38 0.627 17.541 -9.693 1.00 0.00 O ATOM 0 H SER A 38 -1.261 19.295 -8.878 1.00 0.00 H new ATOM 0 HA SER A 38 -2.658 16.983 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.466 16.094 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.603 17.708 -11.333 1.00 0.00 H new ATOM 0 HG SER A 38 0.426 17.593 -8.735 1.00 0.00 H new ATOM 555 N PRO A 39 -2.446 15.590 -8.057 1.00 0.00 N ATOM 556 CA PRO A 39 -2.442 14.795 -6.825 1.00 0.00 C ATOM 557 C PRO A 39 -1.143 14.018 -6.641 1.00 0.00 C ATOM 558 O PRO A 39 -0.732 13.260 -7.520 1.00 0.00 O ATOM 559 CB PRO A 39 -3.617 13.834 -7.019 1.00 0.00 C ATOM 560 CG PRO A 39 -3.771 13.718 -8.497 1.00 0.00 C ATOM 561 CD PRO A 39 -3.382 15.056 -9.060 1.00 0.00 C ATOM 0 HA PRO A 39 -2.527 15.420 -5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.414 12.864 -6.565 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.525 14.220 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.135 12.927 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.797 13.466 -8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.910 14.959 -10.038 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.248 15.705 -9.187 1.00 0.00 H new ATOM 569 N TRP A 40 -0.502 14.211 -5.494 1.00 0.00 N ATOM 570 CA TRP A 40 0.751 13.526 -5.195 1.00 0.00 C ATOM 571 C TRP A 40 0.564 12.013 -5.218 1.00 0.00 C ATOM 572 O TRP A 40 -0.547 11.514 -5.043 1.00 0.00 O ATOM 573 CB TRP A 40 1.283 13.966 -3.830 1.00 0.00 C ATOM 574 CG TRP A 40 1.948 15.309 -3.856 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.579 16.392 -4.601 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.099 15.710 -3.104 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.431 17.442 -4.358 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.371 17.049 -3.443 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.923 15.069 -2.176 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.435 17.756 -2.887 1.00 0.00 C ATOM 581 CZ3 TRP A 40 4.978 15.771 -1.625 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.226 17.103 -1.981 1.00 0.00 C ATOM 0 H TRP A 40 -0.828 14.835 -4.756 1.00 0.00 H new ATOM 0 HA TRP A 40 1.475 13.795 -5.964 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.458 13.991 -3.118 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.994 13.223 -3.469 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.741 16.419 -5.281 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.373 18.365 -4.789 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.739 14.043 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.629 18.783 -3.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.622 15.284 -0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.058 17.625 -1.532 1.00 0.00 H new ATOM 593 N GLU A 41 1.658 11.289 -5.435 1.00 0.00 N ATOM 594 CA GLU A 41 1.612 9.832 -5.482 1.00 0.00 C ATOM 595 C GLU A 41 2.632 9.225 -4.523 1.00 0.00 C ATOM 596 O GLU A 41 3.674 9.821 -4.251 1.00 0.00 O ATOM 597 CB GLU A 41 1.874 9.337 -6.905 1.00 0.00 C ATOM 598 CG GLU A 41 1.390 7.918 -7.155 1.00 0.00 C ATOM 599 CD GLU A 41 -0.120 7.798 -7.091 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.786 8.133 -8.092 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.636 7.367 -6.038 1.00 0.00 O ATOM 0 H GLU A 41 2.586 11.687 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 41 0.616 9.515 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.384 10.008 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.944 9.388 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.736 7.587 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.836 7.251 -6.417 1.00 0.00 H new ATOM 608 N ILE A 42 2.324 8.037 -4.016 1.00 0.00 N ATOM 609 CA ILE A 42 3.214 7.348 -3.089 1.00 0.00 C ATOM 610 C ILE A 42 3.109 5.835 -3.247 1.00 0.00 C ATOM 611 O ILE A 42 2.038 5.255 -3.070 1.00 0.00 O ATOM 612 CB ILE A 42 2.903 7.723 -1.627 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.148 9.216 -1.397 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.748 6.889 -0.676 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.478 9.753 -0.153 1.00 0.00 C ATOM 0 H ILE A 42 1.465 7.531 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 42 4.228 7.666 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 42 1.852 7.512 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.221 9.393 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.789 9.773 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.517 7.165 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.529 5.832 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.804 7.072 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.695 10.817 -0.053 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.400 9.608 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.855 9.223 0.721 1.00 0.00 H new ATOM 627 N TYR A 43 4.228 5.202 -3.580 1.00 0.00 N ATOM 628 CA TYR A 43 4.263 3.756 -3.763 1.00 0.00 C ATOM 629 C TYR A 43 4.944 3.074 -2.581 1.00 0.00 C ATOM 630 O TYR A 43 5.770 3.675 -1.895 1.00 0.00 O ATOM 631 CB TYR A 43 4.992 3.402 -5.060 1.00 0.00 C ATOM 632 CG TYR A 43 4.349 3.990 -6.296 1.00 0.00 C ATOM 633 CD1 TYR A 43 4.690 5.260 -6.744 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.401 3.274 -7.017 1.00 0.00 C ATOM 635 CE1 TYR A 43 4.104 5.801 -7.872 1.00 0.00 C ATOM 636 CE2 TYR A 43 2.811 3.806 -8.147 1.00 0.00 C ATOM 637 CZ TYR A 43 3.166 5.070 -8.570 1.00 0.00 C ATOM 638 OH TYR A 43 2.581 5.605 -9.695 1.00 0.00 O ATOM 0 H TYR A 43 5.123 5.668 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 43 3.235 3.398 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.022 3.752 -4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.030 2.317 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.426 5.834 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.121 2.284 -6.688 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.379 6.791 -8.205 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.076 3.236 -8.696 1.00 0.00 H new ATOM 0 HH TYR A 43 1.944 4.962 -10.070 1.00 0.00 H new ATOM 648 N ILE A 44 4.591 1.813 -2.350 1.00 0.00 N ATOM 649 CA ILE A 44 5.169 1.048 -1.253 1.00 0.00 C ATOM 650 C ILE A 44 4.984 -0.450 -1.471 1.00 0.00 C ATOM 651 O ILE A 44 3.894 -0.910 -1.813 1.00 0.00 O ATOM 652 CB ILE A 44 4.544 1.440 0.098 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.242 0.702 1.242 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.052 1.139 0.099 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.064 1.367 2.589 1.00 0.00 C ATOM 0 H ILE A 44 3.908 1.301 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 44 6.234 1.281 -1.232 1.00 0.00 H new ATOM 0 HB ILE A 44 4.679 2.511 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.857 -0.316 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.307 0.629 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.624 1.422 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.566 1.706 -0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.896 0.073 -0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.585 0.789 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.475 2.376 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.003 1.416 2.833 1.00 0.00 H new ATOM 667 N THR A 45 6.056 -1.210 -1.268 1.00 0.00 N ATOM 668 CA THR A 45 6.012 -2.656 -1.440 1.00 0.00 C ATOM 669 C THR A 45 5.916 -3.368 -0.096 1.00 0.00 C ATOM 670 O THR A 45 6.792 -3.225 0.758 1.00 0.00 O ATOM 671 CB THR A 45 7.254 -3.170 -2.193 1.00 0.00 C ATOM 672 OG1 THR A 45 7.424 -2.441 -3.413 1.00 0.00 O ATOM 673 CG2 THR A 45 7.127 -4.655 -2.497 1.00 0.00 C ATOM 0 H THR A 45 6.966 -0.847 -0.984 1.00 0.00 H new ATOM 0 HA THR A 45 5.122 -2.877 -2.029 1.00 0.00 H new ATOM 0 HB THR A 45 8.126 -3.019 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.216 -2.773 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.016 -4.995 -3.029 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.028 -5.210 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.246 -4.826 -3.116 1.00 0.00 H new ATOM 681 N LEU A 46 4.847 -4.135 0.087 1.00 0.00 N ATOM 682 CA LEU A 46 4.637 -4.871 1.329 1.00 0.00 C ATOM 683 C LEU A 46 4.255 -6.321 1.045 1.00 0.00 C ATOM 684 O LEU A 46 3.472 -6.601 0.137 1.00 0.00 O ATOM 685 CB LEU A 46 3.546 -4.199 2.164 1.00 0.00 C ATOM 686 CG LEU A 46 3.698 -2.693 2.381 1.00 0.00 C ATOM 687 CD1 LEU A 46 2.346 -2.054 2.657 1.00 0.00 C ATOM 688 CD2 LEU A 46 4.666 -2.414 3.521 1.00 0.00 C ATOM 0 H LEU A 46 4.112 -4.264 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 46 5.572 -4.864 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.585 -4.381 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.512 -4.685 3.139 1.00 0.00 H new ATOM 0 HG LEU A 46 4.105 -2.253 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.474 -0.982 2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.683 -2.224 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.910 -2.498 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.762 -1.337 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.289 -2.867 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.642 -2.837 3.282 1.00 0.00 H new ATOM 700 N HIS A 47 4.813 -7.238 1.829 1.00 0.00 N ATOM 701 CA HIS A 47 4.529 -8.659 1.664 1.00 0.00 C ATOM 702 C HIS A 47 3.921 -9.243 2.935 1.00 0.00 C ATOM 703 O HIS A 47 4.222 -8.815 4.050 1.00 0.00 O ATOM 704 CB HIS A 47 5.806 -9.417 1.301 1.00 0.00 C ATOM 705 CG HIS A 47 6.586 -8.780 0.192 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.941 -8.970 0.020 1.00 0.00 N ATOM 707 CD2 HIS A 47 6.194 -7.953 -0.805 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.349 -8.286 -1.034 1.00 0.00 C ATOM 709 NE2 HIS A 47 7.308 -7.660 -1.553 1.00 0.00 N ATOM 0 H HIS A 47 5.464 -7.023 2.584 1.00 0.00 H new ATOM 0 HA HIS A 47 3.808 -8.768 0.854 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.440 -9.489 2.185 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.545 -10.435 1.012 1.00 0.00 H new ATOM 0 HD1 HIS A 47 8.535 -9.548 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 47 5.192 -7.591 -0.980 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.361 -8.246 -1.408 1.00 0.00 H new ATOM 718 N PRO A 48 3.043 -10.244 2.767 1.00 0.00 N ATOM 719 CA PRO A 48 2.374 -10.907 3.890 1.00 0.00 C ATOM 720 C PRO A 48 3.334 -11.757 4.716 1.00 0.00 C ATOM 721 O PRO A 48 4.403 -12.141 4.243 1.00 0.00 O ATOM 722 CB PRO A 48 1.329 -11.793 3.207 1.00 0.00 C ATOM 723 CG PRO A 48 1.879 -12.047 1.846 1.00 0.00 C ATOM 724 CD PRO A 48 2.638 -10.805 1.467 1.00 0.00 C ATOM 0 HA PRO A 48 1.951 -10.190 4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.181 -12.724 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.360 -11.296 3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.533 -12.919 1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.079 -12.248 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.501 -11.036 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.015 -10.109 0.905 1.00 0.00 H new ATOM 732 N ALA A 49 2.945 -12.046 5.954 1.00 0.00 N ATOM 733 CA ALA A 49 3.770 -12.853 6.845 1.00 0.00 C ATOM 734 C ALA A 49 2.959 -13.981 7.473 1.00 0.00 C ATOM 735 O ALA A 49 3.113 -14.288 8.655 1.00 0.00 O ATOM 736 CB ALA A 49 4.387 -11.979 7.927 1.00 0.00 C ATOM 0 H ALA A 49 2.064 -11.733 6.362 1.00 0.00 H new ATOM 0 HA ALA A 49 4.569 -13.301 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.001 -12.594 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.008 -11.211 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.595 -11.505 8.507 1.00 0.00 H new ATOM 742 N THR A 50 2.092 -14.597 6.674 1.00 0.00 N ATOM 743 CA THR A 50 1.255 -15.690 7.151 1.00 0.00 C ATOM 744 C THR A 50 1.514 -16.967 6.360 1.00 0.00 C ATOM 745 O THR A 50 1.604 -18.054 6.930 1.00 0.00 O ATOM 746 CB THR A 50 -0.241 -15.335 7.056 1.00 0.00 C ATOM 747 OG1 THR A 50 -1.034 -16.420 7.551 1.00 0.00 O ATOM 748 CG2 THR A 50 -0.633 -15.027 5.619 1.00 0.00 C ATOM 0 H THR A 50 1.952 -14.356 5.693 1.00 0.00 H new ATOM 0 HA THR A 50 1.516 -15.855 8.196 1.00 0.00 H new ATOM 0 HB THR A 50 -0.421 -14.448 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.984 -16.186 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.694 -14.779 5.576 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.048 -14.182 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.439 -15.899 4.994 1.00 0.00 H new ATOM 756 N ALA A 51 1.634 -16.828 5.044 1.00 0.00 N ATOM 757 CA ALA A 51 1.886 -17.971 4.175 1.00 0.00 C ATOM 758 C ALA A 51 2.933 -18.900 4.780 1.00 0.00 C ATOM 759 O ALA A 51 3.923 -18.445 5.352 1.00 0.00 O ATOM 760 CB ALA A 51 2.328 -17.499 2.798 1.00 0.00 C ATOM 0 H ALA A 51 1.561 -15.935 4.556 1.00 0.00 H new ATOM 0 HA ALA A 51 0.957 -18.532 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.513 -18.363 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.546 -16.882 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.243 -16.914 2.890 1.00 0.00 H new ATOM 766 N GLU A 52 2.707 -20.204 4.650 1.00 0.00 N ATOM 767 CA GLU A 52 3.631 -21.196 5.186 1.00 0.00 C ATOM 768 C GLU A 52 3.508 -22.517 4.432 1.00 0.00 C ATOM 769 O GLU A 52 2.480 -23.191 4.502 1.00 0.00 O ATOM 770 CB GLU A 52 3.366 -21.420 6.676 1.00 0.00 C ATOM 771 CG GLU A 52 4.165 -20.498 7.581 1.00 0.00 C ATOM 772 CD GLU A 52 4.091 -20.905 9.040 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.736 -21.909 9.409 1.00 0.00 O ATOM 774 OE2 GLU A 52 3.388 -20.221 9.813 1.00 0.00 O ATOM 0 H GLU A 52 1.893 -20.597 4.178 1.00 0.00 H new ATOM 0 HA GLU A 52 4.645 -20.817 5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.303 -21.277 6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.601 -22.454 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.207 -20.494 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.795 -19.479 7.473 1.00 0.00 H new ATOM 781 N ASP A 53 4.562 -22.880 3.710 1.00 0.00 N ATOM 782 CA ASP A 53 4.574 -24.120 2.943 1.00 0.00 C ATOM 783 C ASP A 53 3.221 -24.362 2.281 1.00 0.00 C ATOM 784 O ASP A 53 2.711 -25.482 2.282 1.00 0.00 O ATOM 785 CB ASP A 53 4.932 -25.301 3.847 1.00 0.00 C ATOM 786 CG ASP A 53 6.426 -25.427 4.070 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.117 -24.387 4.064 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.904 -26.566 4.252 1.00 0.00 O ATOM 0 H ASP A 53 5.420 -22.333 3.640 1.00 0.00 H new ATOM 0 HA ASP A 53 5.329 -24.028 2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.433 -25.183 4.809 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.555 -26.222 3.403 1.00 0.00 H new ATOM 793 N GLN A 54 2.646 -23.305 1.717 1.00 0.00 N ATOM 794 CA GLN A 54 1.352 -23.403 1.054 1.00 0.00 C ATOM 795 C GLN A 54 1.523 -23.571 -0.452 1.00 0.00 C ATOM 796 O GLN A 54 2.618 -23.388 -0.986 1.00 0.00 O ATOM 797 CB GLN A 54 0.509 -22.160 1.347 1.00 0.00 C ATOM 798 CG GLN A 54 1.182 -20.859 0.943 1.00 0.00 C ATOM 799 CD GLN A 54 0.280 -19.654 1.126 1.00 0.00 C ATOM 800 OE1 GLN A 54 -0.206 -19.457 2.346 1.00 0.00 O flip ATOM 801 NE2 GLN A 54 0.022 -18.908 0.180 1.00 0.00 N flip ATOM 0 H GLN A 54 3.056 -22.371 1.706 1.00 0.00 H new ATOM 0 HA GLN A 54 0.839 -24.282 1.444 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.443 -22.245 0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.284 -22.127 2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.087 -20.724 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.490 -20.922 -0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.417 -19.097 -0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.587 -18.101 0.318 1.00 0.00 H new ATOM 810 N ASP A 55 0.437 -23.920 -1.132 1.00 0.00 N ATOM 811 CA ASP A 55 0.467 -24.112 -2.577 1.00 0.00 C ATOM 812 C ASP A 55 1.221 -22.975 -3.260 1.00 0.00 C ATOM 813 O ASP A 55 2.044 -23.207 -4.145 1.00 0.00 O ATOM 814 CB ASP A 55 -0.956 -24.202 -3.131 1.00 0.00 C ATOM 815 CG ASP A 55 -1.773 -25.285 -2.454 1.00 0.00 C ATOM 816 OD1 ASP A 55 -1.407 -26.472 -2.583 1.00 0.00 O ATOM 817 OD2 ASP A 55 -2.778 -24.945 -1.795 1.00 0.00 O ATOM 0 H ASP A 55 -0.476 -24.076 -0.705 1.00 0.00 H new ATOM 0 HA ASP A 55 0.989 -25.046 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.454 -23.241 -3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.914 -24.399 -4.202 1.00 0.00 H new ATOM 822 N SER A 56 0.933 -21.746 -2.844 1.00 0.00 N ATOM 823 CA SER A 56 1.580 -20.573 -3.420 1.00 0.00 C ATOM 824 C SER A 56 2.568 -19.959 -2.433 1.00 0.00 C ATOM 825 O SER A 56 2.173 -19.284 -1.483 1.00 0.00 O ATOM 826 CB SER A 56 0.533 -19.534 -3.824 1.00 0.00 C ATOM 827 OG SER A 56 -0.364 -19.272 -2.758 1.00 0.00 O ATOM 0 H SER A 56 0.256 -21.537 -2.110 1.00 0.00 H new ATOM 0 HA SER A 56 2.128 -20.889 -4.307 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.029 -18.610 -4.121 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.022 -19.891 -4.691 1.00 0.00 H new ATOM 0 HG SER A 56 -1.022 -18.603 -3.041 1.00 0.00 H new ATOM 833 N GLN A 57 3.854 -20.199 -2.666 1.00 0.00 N ATOM 834 CA GLN A 57 4.899 -19.670 -1.797 1.00 0.00 C ATOM 835 C GLN A 57 5.421 -18.337 -2.323 1.00 0.00 C ATOM 836 O GLN A 57 6.617 -18.053 -2.248 1.00 0.00 O ATOM 837 CB GLN A 57 6.050 -20.671 -1.681 1.00 0.00 C ATOM 838 CG GLN A 57 5.611 -22.053 -1.226 1.00 0.00 C ATOM 839 CD GLN A 57 6.522 -23.153 -1.734 1.00 0.00 C ATOM 840 OE1 GLN A 57 7.060 -23.940 -0.954 1.00 0.00 O ATOM 841 NE2 GLN A 57 6.702 -23.213 -3.048 1.00 0.00 N ATOM 0 H GLN A 57 4.197 -20.756 -3.449 1.00 0.00 H new ATOM 0 HA GLN A 57 4.467 -19.507 -0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.545 -20.756 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.788 -20.284 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.586 -22.082 -0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.595 -22.239 -1.573 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.237 -22.541 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.306 -23.931 -3.448 1.00 0.00 H new ATOM 850 N TYR A 58 4.516 -17.521 -2.853 1.00 0.00 N ATOM 851 CA TYR A 58 4.885 -16.218 -3.394 1.00 0.00 C ATOM 852 C TYR A 58 3.672 -15.297 -3.472 1.00 0.00 C ATOM 853 O TYR A 58 2.587 -15.714 -3.879 1.00 0.00 O ATOM 854 CB TYR A 58 5.510 -16.376 -4.781 1.00 0.00 C ATOM 855 CG TYR A 58 5.777 -15.062 -5.478 1.00 0.00 C ATOM 856 CD1 TYR A 58 4.731 -14.245 -5.888 1.00 0.00 C ATOM 857 CD2 TYR A 58 7.076 -14.636 -5.727 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.970 -13.043 -6.526 1.00 0.00 C ATOM 859 CE2 TYR A 58 7.325 -13.435 -6.363 1.00 0.00 C ATOM 860 CZ TYR A 58 6.269 -12.643 -6.761 1.00 0.00 C ATOM 861 OH TYR A 58 6.512 -11.446 -7.395 1.00 0.00 O ATOM 0 H TYR A 58 3.522 -17.739 -2.919 1.00 0.00 H new ATOM 0 HA TYR A 58 5.617 -15.769 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.447 -16.925 -4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.848 -16.979 -5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.713 -14.555 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.906 -15.255 -5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.145 -12.420 -6.839 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.341 -13.118 -6.547 1.00 0.00 H new ATOM 0 HH TYR A 58 6.120 -10.714 -6.874 1.00 0.00 H new ATOM 871 N VAL A 59 3.863 -14.042 -3.081 1.00 0.00 N ATOM 872 CA VAL A 59 2.786 -13.059 -3.108 1.00 0.00 C ATOM 873 C VAL A 59 3.298 -11.672 -2.737 1.00 0.00 C ATOM 874 O VAL A 59 4.080 -11.518 -1.798 1.00 0.00 O ATOM 875 CB VAL A 59 1.647 -13.448 -2.146 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.196 -13.737 -0.757 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.595 -12.351 -2.096 1.00 0.00 C ATOM 0 H VAL A 59 4.754 -13.681 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 59 2.401 -13.040 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 59 1.174 -14.356 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.377 -14.010 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.909 -14.560 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.696 -12.849 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.202 -12.642 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.052 -11.425 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.180 -12.199 -3.092 1.00 0.00 H new ATOM 887 N CYS A 60 2.852 -10.665 -3.480 1.00 0.00 N ATOM 888 CA CYS A 60 3.265 -9.289 -3.229 1.00 0.00 C ATOM 889 C CYS A 60 2.376 -8.308 -3.988 1.00 0.00 C ATOM 890 O CYS A 60 1.849 -8.628 -5.053 1.00 0.00 O ATOM 891 CB CYS A 60 4.726 -9.091 -3.635 1.00 0.00 C ATOM 892 SG CYS A 60 5.025 -9.239 -5.412 1.00 0.00 S ATOM 0 H CYS A 60 2.205 -10.776 -4.261 1.00 0.00 H new ATOM 0 HA CYS A 60 3.163 -9.094 -2.162 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.054 -8.106 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.340 -9.824 -3.112 1.00 0.00 H new ATOM 0 HG CYS A 60 3.909 -9.066 -6.056 1.00 0.00 H new ATOM 898 N PHE A 61 2.214 -7.112 -3.431 1.00 0.00 N ATOM 899 CA PHE A 61 1.387 -6.085 -4.053 1.00 0.00 C ATOM 900 C PHE A 61 1.916 -4.691 -3.730 1.00 0.00 C ATOM 901 O PHE A 61 2.440 -4.449 -2.641 1.00 0.00 O ATOM 902 CB PHE A 61 -0.063 -6.214 -3.583 1.00 0.00 C ATOM 903 CG PHE A 61 -0.347 -5.478 -2.304 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.592 -4.115 -2.314 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.368 -6.150 -1.093 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.853 -3.435 -1.139 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.628 -5.476 0.086 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.871 -4.117 0.062 1.00 0.00 C ATOM 0 H PHE A 61 2.645 -6.831 -2.550 1.00 0.00 H new ATOM 0 HA PHE A 61 1.426 -6.228 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.724 -5.838 -4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.299 -7.269 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.579 -3.577 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.179 -7.213 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.043 -2.372 -1.160 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.641 -6.011 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.075 -3.588 0.981 1.00 0.00 H new ATOM 918 N THR A 62 1.777 -3.775 -4.683 1.00 0.00 N ATOM 919 CA THR A 62 2.242 -2.406 -4.502 1.00 0.00 C ATOM 920 C THR A 62 1.093 -1.482 -4.118 1.00 0.00 C ATOM 921 O THR A 62 0.155 -1.285 -4.892 1.00 0.00 O ATOM 922 CB THR A 62 2.914 -1.867 -5.780 1.00 0.00 C ATOM 923 OG1 THR A 62 3.995 -2.725 -6.163 1.00 0.00 O ATOM 924 CG2 THR A 62 3.433 -0.454 -5.563 1.00 0.00 C ATOM 0 H THR A 62 1.346 -3.957 -5.589 1.00 0.00 H new ATOM 0 HA THR A 62 2.975 -2.425 -3.695 1.00 0.00 H new ATOM 0 HB THR A 62 2.169 -1.845 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.416 -2.377 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.903 -0.095 -6.478 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.603 0.202 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.165 -0.455 -4.755 1.00 0.00 H new ATOM 932 N LEU A 63 1.171 -0.915 -2.918 1.00 0.00 N ATOM 933 CA LEU A 63 0.136 -0.010 -2.431 1.00 0.00 C ATOM 934 C LEU A 63 0.347 1.400 -2.975 1.00 0.00 C ATOM 935 O LEU A 63 1.286 2.094 -2.585 1.00 0.00 O ATOM 936 CB LEU A 63 0.133 0.017 -0.902 1.00 0.00 C ATOM 937 CG LEU A 63 -1.225 0.243 -0.237 1.00 0.00 C ATOM 938 CD1 LEU A 63 -1.121 0.054 1.269 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.756 1.630 -0.567 1.00 0.00 C ATOM 0 H LEU A 63 1.940 -1.066 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.828 -0.376 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.539 -0.928 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.812 0.803 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.926 -0.495 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.097 0.219 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.786 -0.960 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.405 0.768 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.723 1.773 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.056 2.383 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.870 1.729 -1.647 1.00 0.00 H new ATOM 951 N VAL A 64 -0.536 1.818 -3.877 1.00 0.00 N ATOM 952 CA VAL A 64 -0.449 3.147 -4.472 1.00 0.00 C ATOM 953 C VAL A 64 -1.472 4.093 -3.855 1.00 0.00 C ATOM 954 O VAL A 64 -2.676 3.835 -3.895 1.00 0.00 O ATOM 955 CB VAL A 64 -0.668 3.094 -5.995 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.465 4.470 -6.612 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.262 2.073 -6.632 1.00 0.00 C ATOM 0 H VAL A 64 -1.319 1.256 -4.211 1.00 0.00 H new ATOM 0 HA VAL A 64 0.555 3.520 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.695 2.784 -6.186 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.624 4.413 -7.689 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.176 5.172 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.551 4.812 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.093 2.049 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.297 2.350 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.063 1.087 -6.212 1.00 0.00 H new ATOM 967 N LEU A 65 -0.987 5.190 -3.284 1.00 0.00 N ATOM 968 CA LEU A 65 -1.859 6.177 -2.658 1.00 0.00 C ATOM 969 C LEU A 65 -1.797 7.508 -3.401 1.00 0.00 C ATOM 970 O LEU A 65 -0.725 8.089 -3.563 1.00 0.00 O ATOM 971 CB LEU A 65 -1.466 6.379 -1.194 1.00 0.00 C ATOM 972 CG LEU A 65 -1.513 5.133 -0.308 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.598 5.299 0.895 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.940 4.851 0.139 1.00 0.00 C ATOM 0 H LEU A 65 0.006 5.418 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.882 5.803 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.455 6.785 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.125 7.132 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.161 4.282 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.644 4.403 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.426 5.452 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.919 6.161 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.955 3.961 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.319 5.702 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.570 4.687 -0.736 1.00 0.00 H new ATOM 986 N GLN A 66 -2.955 7.985 -3.848 1.00 0.00 N ATOM 987 CA GLN A 66 -3.031 9.248 -4.572 1.00 0.00 C ATOM 988 C GLN A 66 -3.480 10.378 -3.650 1.00 0.00 C ATOM 989 O GLN A 66 -4.667 10.516 -3.353 1.00 0.00 O ATOM 990 CB GLN A 66 -3.994 9.125 -5.754 1.00 0.00 C ATOM 991 CG GLN A 66 -3.314 8.726 -7.054 1.00 0.00 C ATOM 992 CD GLN A 66 -2.593 9.885 -7.714 1.00 0.00 C ATOM 993 OE1 GLN A 66 -1.999 10.727 -7.040 1.00 0.00 O ATOM 994 NE2 GLN A 66 -2.641 9.934 -9.040 1.00 0.00 N ATOM 0 H GLN A 66 -3.852 7.516 -3.721 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.035 9.484 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.760 8.388 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.503 10.078 -5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.602 7.925 -6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.059 8.327 -7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.145 9.215 -9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.174 10.691 -9.540 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.524 11.184 -3.201 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.821 12.302 -2.313 1.00 0.00 C ATOM 1005 C VAL A 67 -3.182 13.552 -3.107 1.00 0.00 C ATOM 1006 O VAL A 67 -2.353 14.137 -3.804 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.628 12.619 -1.392 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -1.987 13.730 -0.417 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.182 11.369 -0.648 1.00 0.00 C ATOM 0 H VAL A 67 -1.537 11.084 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.673 12.004 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.797 12.963 -2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.132 13.940 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.254 14.629 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.833 13.417 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.338 11.612 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.006 10.993 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.882 10.606 -1.366 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.451 13.974 -3.001 1.00 0.00 N ATOM 1020 CA PRO A 68 -4.952 15.160 -3.701 1.00 0.00 C ATOM 1021 C PRO A 68 -4.372 16.453 -3.139 1.00 0.00 C ATOM 1022 O PRO A 68 -3.636 16.437 -2.153 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.463 15.102 -3.460 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.616 14.327 -2.198 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.494 13.325 -2.188 1.00 0.00 C ATOM 0 HA PRO A 68 -4.674 15.159 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.887 16.102 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.978 14.615 -4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.562 14.982 -1.329 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.585 13.828 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.146 13.121 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.803 12.372 -2.617 1.00 0.00 H new ATOM 1033 N ALA A 69 -4.710 17.572 -3.772 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.224 18.875 -3.333 1.00 0.00 C ATOM 1035 C ALA A 69 -4.875 19.288 -2.017 1.00 0.00 C ATOM 1036 O ALA A 69 -4.203 19.768 -1.106 1.00 0.00 O ATOM 1037 CB ALA A 69 -4.482 19.923 -4.405 1.00 0.00 C ATOM 0 H ALA A 69 -5.318 17.602 -4.590 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.149 18.798 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.114 20.891 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.964 19.641 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.553 19.990 -4.599 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.188 19.101 -1.928 1.00 0.00 N ATOM 1044 CA GLU A 70 -6.930 19.457 -0.724 1.00 0.00 C ATOM 1045 C GLU A 70 -6.380 18.717 0.493 1.00 0.00 C ATOM 1046 O GLU A 70 -6.314 19.269 1.591 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.416 19.137 -0.899 1.00 0.00 C ATOM 1048 CG GLU A 70 -8.696 17.663 -1.144 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.978 17.435 -1.921 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.053 17.832 -1.425 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.905 16.858 -3.027 1.00 0.00 O ATOM 0 H GLU A 70 -6.759 18.705 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.813 20.528 -0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.956 19.458 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.808 19.717 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.861 17.224 -1.691 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.758 17.145 -0.187 1.00 0.00 H new ATOM 1058 N TYR A 71 -5.986 17.465 0.288 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.445 16.648 1.368 1.00 0.00 C ATOM 1060 C TYR A 71 -4.724 17.514 2.397 1.00 0.00 C ATOM 1061 O TYR A 71 -4.093 18.518 2.069 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.485 15.597 0.807 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.599 14.965 1.857 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.626 15.709 2.513 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.737 13.624 2.195 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.814 15.135 3.472 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -2.931 13.042 3.154 1.00 0.00 C ATOM 1068 CZ TYR A 71 -1.971 13.802 3.789 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.165 13.227 4.746 1.00 0.00 O ATOM 0 H TYR A 71 -6.031 16.994 -0.616 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.276 16.145 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.063 14.816 0.313 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.858 16.060 0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.502 16.754 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.488 13.026 1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.061 15.727 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.052 11.999 3.405 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.696 13.029 5.545 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.820 17.115 3.674 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.569 15.921 4.077 1.00 0.00 C ATOM 1081 C PRO A 72 -7.075 16.100 3.918 1.00 0.00 C ATOM 1082 O PRO A 72 -7.835 15.134 3.979 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.203 15.754 5.554 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.834 17.124 6.010 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.204 17.799 4.823 1.00 0.00 C ATOM 0 HA PRO A 72 -5.319 15.057 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.041 15.358 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.374 15.058 5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.713 17.672 6.350 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.140 17.082 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.412 18.869 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.120 17.685 4.825 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.500 17.343 3.713 1.00 0.00 N ATOM 1094 CA HIS A 73 -8.916 17.649 3.544 1.00 0.00 C ATOM 1095 C HIS A 73 -9.660 16.461 2.941 1.00 0.00 C ATOM 1096 O HIS A 73 -10.764 16.127 3.368 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.091 18.880 2.656 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.780 20.170 3.351 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -9.409 21.359 3.049 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -7.900 20.452 4.340 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -8.929 22.317 3.821 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -8.012 21.793 4.614 1.00 0.00 N ATOM 0 H HIS A 73 -6.884 18.154 3.660 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.337 17.858 4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.446 18.783 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.118 18.912 2.291 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.234 19.753 4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.234 23.353 3.806 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.474 22.302 5.316 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.046 15.829 1.945 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.652 14.680 1.282 1.00 0.00 C ATOM 1113 C GLU A 74 -8.791 13.433 1.460 1.00 0.00 C ATOM 1114 O GLU A 74 -7.563 13.499 1.400 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.851 14.969 -0.207 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.441 13.801 -0.980 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.914 13.592 -0.685 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.716 14.497 -0.996 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.264 12.522 -0.144 1.00 0.00 O ATOM 0 H GLU A 74 -8.131 16.093 1.580 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.623 14.498 1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.505 15.834 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.891 15.238 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.309 13.973 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.892 12.892 -0.733 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.444 12.296 1.680 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.740 11.033 1.866 1.00 0.00 C ATOM 1128 C VAL A 75 -8.037 10.602 0.584 1.00 0.00 C ATOM 1129 O VAL A 75 -8.575 10.716 -0.517 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.701 9.915 2.312 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.395 10.294 3.611 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.719 9.621 1.220 1.00 0.00 C ATOM 0 H VAL A 75 -10.460 12.224 1.734 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.997 11.197 2.647 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.120 9.010 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -11.070 9.492 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.649 10.450 4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.964 11.212 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.390 8.829 1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.297 10.521 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.201 9.302 0.316 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.803 10.095 0.728 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.999 9.635 -0.408 1.00 0.00 C ATOM 1144 C PRO A 76 -6.556 8.362 -1.035 1.00 0.00 C ATOM 1145 O PRO A 76 -6.779 7.367 -0.346 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.626 9.369 0.214 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.909 9.086 1.649 1.00 0.00 C ATOM 1148 CD PRO A 76 -6.099 9.931 2.010 1.00 0.00 C ATOM 0 HA PRO A 76 -5.981 10.365 -1.217 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.131 8.525 -0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.967 10.230 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.120 8.028 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.050 9.334 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.728 9.442 2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.798 10.891 2.429 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.777 8.400 -2.345 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.308 7.248 -3.064 1.00 0.00 C ATOM 1158 C GLN A 77 -6.382 6.044 -2.923 1.00 0.00 C ATOM 1159 O GLN A 77 -5.231 6.080 -3.359 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.501 7.588 -4.543 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.705 8.476 -4.812 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.312 8.237 -6.180 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -8.929 8.874 -7.162 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.265 7.315 -6.252 1.00 0.00 N ATOM 0 H GLN A 77 -6.597 9.216 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.274 6.993 -2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.604 8.085 -4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.609 6.663 -5.109 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.461 8.298 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.407 9.521 -4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.551 6.811 -5.413 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.711 7.111 -7.147 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.892 4.981 -2.311 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.111 3.766 -2.113 1.00 0.00 C ATOM 1175 C ILE A 78 -6.280 2.807 -3.287 1.00 0.00 C ATOM 1176 O ILE A 78 -7.398 2.435 -3.642 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.511 3.045 -0.813 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.375 3.989 0.383 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.658 1.801 -0.613 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.636 4.769 0.683 1.00 0.00 C ATOM 0 H ILE A 78 -7.842 4.936 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.067 4.070 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.554 2.738 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.098 3.409 1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.561 4.689 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.953 1.302 0.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.802 1.122 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.608 2.086 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.467 5.418 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.903 5.376 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.448 4.077 0.905 1.00 0.00 H new ATOM 1192 N SER A 79 -5.161 2.409 -3.884 1.00 0.00 N ATOM 1193 CA SER A 79 -5.185 1.493 -5.019 1.00 0.00 C ATOM 1194 C SER A 79 -4.035 0.494 -4.935 1.00 0.00 C ATOM 1195 O SER A 79 -3.041 0.731 -4.248 1.00 0.00 O ATOM 1196 CB SER A 79 -5.103 2.274 -6.332 1.00 0.00 C ATOM 1197 OG SER A 79 -3.911 3.037 -6.398 1.00 0.00 O ATOM 0 H SER A 79 -4.227 2.706 -3.601 1.00 0.00 H new ATOM 0 HA SER A 79 -6.125 0.941 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.143 1.582 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.966 2.934 -6.421 1.00 0.00 H new ATOM 0 HG SER A 79 -3.628 3.280 -5.492 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.178 -0.623 -5.640 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.152 -1.658 -5.647 1.00 0.00 C ATOM 1205 C ILE A 80 -2.719 -1.994 -7.070 1.00 0.00 C ATOM 1206 O ILE A 80 -3.554 -2.208 -7.949 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.643 -2.943 -4.955 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.934 -2.673 -3.477 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.613 -4.052 -5.104 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.685 -3.795 -2.794 1.00 0.00 C ATOM 0 H ILE A 80 -4.994 -0.834 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.300 -1.261 -5.095 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.567 -3.266 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.992 -2.506 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.513 -1.754 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.975 -4.953 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.451 -4.258 -6.162 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.674 -3.740 -4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.856 -3.535 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.643 -3.948 -3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.098 -4.712 -2.848 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.409 -2.041 -7.289 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.866 -2.352 -8.606 1.00 0.00 C ATOM 1224 C ARG A 81 -0.132 -3.690 -8.589 1.00 0.00 C ATOM 1225 O ARG A 81 0.193 -4.217 -7.526 1.00 0.00 O ATOM 1226 CB ARG A 81 0.084 -1.243 -9.064 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.610 -0.121 -9.818 1.00 0.00 C ATOM 1228 CD ARG A 81 0.386 0.917 -10.313 1.00 0.00 C ATOM 1229 NE ARG A 81 1.110 0.460 -11.496 1.00 0.00 N ATOM 1230 CZ ARG A 81 2.306 0.920 -11.848 1.00 0.00 C ATOM 1231 NH1 ARG A 81 2.908 1.843 -11.112 1.00 0.00 N ATOM 1232 NH2 ARG A 81 2.901 0.455 -12.939 1.00 0.00 N ATOM 0 H ARG A 81 -0.704 -1.868 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.697 -2.422 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.589 -0.826 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.854 -1.676 -9.702 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.157 -0.535 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.343 0.357 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.140 1.843 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.097 1.145 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 81 0.674 -0.251 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.453 2.202 -10.273 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.826 2.194 -11.385 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.440 -0.256 -13.508 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.819 0.808 -13.209 1.00 0.00 H new ATOM 1246 N ASN A 82 0.125 -4.233 -9.774 1.00 0.00 N ATOM 1247 CA ASN A 82 0.820 -5.510 -9.895 1.00 0.00 C ATOM 1248 C ASN A 82 0.434 -6.449 -8.757 1.00 0.00 C ATOM 1249 O ASN A 82 1.285 -7.002 -8.059 1.00 0.00 O ATOM 1250 CB ASN A 82 2.334 -5.292 -9.900 1.00 0.00 C ATOM 1251 CG ASN A 82 2.801 -4.506 -11.111 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.011 -3.825 -11.765 1.00 0.00 O ATOM 1253 ND2 ASN A 82 4.091 -4.598 -11.414 1.00 0.00 N ATOM 0 H ASN A 82 -0.137 -3.809 -10.664 1.00 0.00 H new ATOM 0 HA ASN A 82 0.523 -5.969 -10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.625 -4.763 -8.993 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.838 -6.258 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.464 -4.092 -12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.709 -5.175 -10.843 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.880 -6.636 -8.564 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.410 -7.509 -7.512 1.00 0.00 C ATOM 1262 C PRO A 83 -1.142 -8.983 -7.793 1.00 0.00 C ATOM 1263 O PRO A 83 -1.944 -9.657 -8.439 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.913 -7.224 -7.537 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.185 -6.750 -8.923 1.00 0.00 C ATOM 1266 CD PRO A 83 -1.951 -6.009 -9.357 1.00 0.00 C ATOM 0 HA PRO A 83 -0.942 -7.314 -6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.490 -8.119 -7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.185 -6.469 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.391 -7.588 -9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.060 -6.100 -8.949 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.774 -6.116 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.030 -4.941 -9.152 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.010 -9.479 -7.304 1.00 0.00 N ATOM 1275 CA ARG A 84 0.364 -10.874 -7.504 1.00 0.00 C ATOM 1276 C ARG A 84 0.199 -11.671 -6.214 1.00 0.00 C ATOM 1277 O ARG A 84 0.305 -11.125 -5.116 1.00 0.00 O ATOM 1278 CB ARG A 84 1.809 -10.972 -7.995 1.00 0.00 C ATOM 1279 CG ARG A 84 2.150 -12.315 -8.619 1.00 0.00 C ATOM 1280 CD ARG A 84 1.640 -12.411 -10.049 1.00 0.00 C ATOM 1281 NE ARG A 84 1.400 -13.794 -10.452 1.00 0.00 N ATOM 1282 CZ ARG A 84 0.288 -14.461 -10.164 1.00 0.00 C ATOM 1283 NH1 ARG A 84 -0.681 -13.875 -9.474 1.00 0.00 N ATOM 1284 NH2 ARG A 84 0.144 -15.718 -10.566 1.00 0.00 N ATOM 0 H ARG A 84 0.665 -8.935 -6.766 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.298 -11.297 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.989 -10.185 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.482 -10.789 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.230 -12.459 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.714 -13.116 -8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.716 -11.840 -10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.366 -11.957 -10.724 1.00 0.00 H new ATOM 0 HE ARG A 84 2.126 -14.274 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.574 -12.910 -9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.534 -14.390 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 84 0.888 -16.172 -11.096 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.710 -16.230 -10.344 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.063 -12.967 -6.354 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.239 -13.819 -5.192 1.00 0.00 C ATOM 1300 C GLY A 85 -1.618 -13.684 -4.578 1.00 0.00 C ATOM 1301 O GLY A 85 -2.228 -14.676 -4.179 1.00 0.00 O ATOM 0 H GLY A 85 -0.157 -13.442 -7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.072 -14.857 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.514 -13.569 -4.445 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.112 -12.453 -4.501 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.428 -12.190 -3.929 1.00 0.00 C ATOM 1307 C LEU A 86 -4.517 -12.318 -4.989 1.00 0.00 C ATOM 1308 O LEU A 86 -4.228 -12.493 -6.173 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.467 -10.794 -3.307 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.376 -10.486 -2.280 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.212 -8.983 -2.109 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.698 -11.144 -0.946 1.00 0.00 C ATOM 0 H LEU A 86 -1.621 -11.621 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.614 -12.931 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.401 -10.059 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.437 -10.658 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.434 -10.894 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.432 -8.783 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.935 -8.536 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.152 -8.551 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.911 -10.914 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.650 -10.766 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.763 -12.224 -1.079 1.00 0.00 H new ATOM 1324 N SER A 87 -5.770 -12.225 -4.557 1.00 0.00 N ATOM 1325 CA SER A 87 -6.903 -12.332 -5.469 1.00 0.00 C ATOM 1326 C SER A 87 -7.851 -11.148 -5.299 1.00 0.00 C ATOM 1327 O SER A 87 -7.769 -10.410 -4.317 1.00 0.00 O ATOM 1328 CB SER A 87 -7.658 -13.641 -5.228 1.00 0.00 C ATOM 1329 OG SER A 87 -8.611 -13.875 -6.250 1.00 0.00 O ATOM 0 H SER A 87 -6.027 -12.076 -3.581 1.00 0.00 H new ATOM 0 HA SER A 87 -6.518 -12.325 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.951 -14.470 -5.188 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.159 -13.603 -4.261 1.00 0.00 H new ATOM 0 HG SER A 87 -9.079 -14.718 -6.074 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.748 -10.973 -6.262 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.712 -9.880 -6.221 1.00 0.00 C ATOM 1337 C ASP A 88 -10.323 -9.747 -4.829 1.00 0.00 C ATOM 1338 O ASP A 88 -10.490 -8.640 -4.318 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.815 -10.104 -7.256 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.446 -8.807 -7.721 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -10.708 -7.812 -7.879 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -12.678 -8.785 -7.925 1.00 0.00 O ATOM 0 H ASP A 88 -8.828 -11.575 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.186 -8.955 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.401 -10.631 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.585 -10.746 -6.829 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.654 -10.882 -4.222 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.248 -10.891 -2.891 1.00 0.00 C ATOM 1349 C GLU A 89 -10.341 -10.187 -1.886 1.00 0.00 C ATOM 1350 O GLU A 89 -10.739 -9.208 -1.255 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.513 -12.328 -2.436 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.536 -13.058 -3.290 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.955 -12.869 -2.790 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -14.177 -13.008 -1.569 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.843 -12.581 -3.619 1.00 0.00 O ATOM 0 H GLU A 89 -10.521 -11.807 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.195 -10.353 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.576 -12.884 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.858 -12.315 -1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.466 -12.702 -4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.299 -14.122 -3.305 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.121 -10.694 -1.742 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.158 -10.115 -0.814 1.00 0.00 C ATOM 1364 C GLN A 90 -7.918 -8.641 -1.126 1.00 0.00 C ATOM 1365 O GLN A 90 -8.072 -7.780 -0.260 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.836 -10.882 -0.872 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.933 -12.303 -0.339 1.00 0.00 C ATOM 1368 CD GLN A 90 -7.476 -13.275 -1.367 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -6.615 -13.722 -2.274 1.00 0.00 O flip ATOM 1370 NE2 GLN A 90 -8.658 -13.622 -1.348 1.00 0.00 N flip ATOM 0 H GLN A 90 -8.776 -11.505 -2.256 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.571 -10.192 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.489 -10.913 -1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.085 -10.338 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.946 -12.634 -0.017 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -7.576 -12.314 0.541 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -9.286 -13.254 -0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.009 -14.277 -2.047 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.539 -8.359 -2.368 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.279 -6.990 -2.795 1.00 0.00 C ATOM 1381 C ILE A 91 -8.370 -6.045 -2.304 1.00 0.00 C ATOM 1382 O ILE A 91 -8.100 -5.100 -1.562 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.178 -6.888 -4.328 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.044 -7.773 -4.847 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.964 -5.442 -4.750 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.174 -8.126 -6.312 1.00 0.00 C ATOM 0 H ILE A 91 -7.405 -9.061 -3.096 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.325 -6.698 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.114 -7.238 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.094 -7.263 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.014 -8.692 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.895 -5.386 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.803 -4.835 -4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.041 -5.067 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.335 -8.755 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.108 -8.664 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.173 -7.213 -6.908 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.605 -6.306 -2.722 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.738 -5.480 -2.323 1.00 0.00 C ATOM 1400 C HIS A 92 -10.818 -5.364 -0.804 1.00 0.00 C ATOM 1401 O HIS A 92 -11.108 -4.295 -0.265 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.041 -6.065 -2.871 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.100 -5.036 -3.121 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.743 -4.898 -4.333 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.630 -4.094 -2.307 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.621 -3.914 -4.254 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.572 -3.410 -3.034 1.00 0.00 N ATOM 0 H HIS A 92 -9.846 -7.083 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.593 -4.483 -2.739 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.830 -6.591 -3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.423 -6.804 -2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.362 -3.914 -1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.268 -3.579 -5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.142 -2.638 -2.688 1.00 0.00 H new ATOM 1416 N THR A 93 -10.560 -6.473 -0.116 1.00 0.00 N ATOM 1417 CA THR A 93 -10.605 -6.497 1.341 1.00 0.00 C ATOM 1418 C THR A 93 -9.590 -5.529 1.937 1.00 0.00 C ATOM 1419 O THR A 93 -9.915 -4.746 2.831 1.00 0.00 O ATOM 1420 CB THR A 93 -10.333 -7.910 1.888 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.332 -8.820 1.414 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.322 -7.909 3.409 1.00 0.00 C ATOM 0 H THR A 93 -10.318 -7.366 -0.545 1.00 0.00 H new ATOM 0 HA THR A 93 -11.610 -6.191 1.632 1.00 0.00 H new ATOM 0 HB THR A 93 -9.353 -8.230 1.534 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.183 -9.003 0.463 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.128 -8.918 3.772 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.541 -7.238 3.767 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.289 -7.570 3.780 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.360 -5.586 1.438 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.298 -4.713 1.922 1.00 0.00 C ATOM 1432 C ILE A 94 -7.670 -3.245 1.745 1.00 0.00 C ATOM 1433 O ILE A 94 -7.223 -2.384 2.504 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.969 -4.985 1.192 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.599 -6.466 1.295 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.861 -4.115 1.767 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.515 -6.887 0.328 1.00 0.00 C ATOM 0 H ILE A 94 -8.074 -6.228 0.699 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.172 -4.928 2.983 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.092 -4.733 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.270 -6.680 2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.490 -7.068 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.928 -4.319 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.124 -3.064 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.736 -4.338 2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.304 -7.949 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.848 -6.705 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.610 -6.311 0.523 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.493 -2.966 0.740 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.929 -1.601 0.465 1.00 0.00 C ATOM 1451 C LEU A 95 -9.973 -1.147 1.479 1.00 0.00 C ATOM 1452 O LEU A 95 -9.727 -0.239 2.272 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.500 -1.503 -0.951 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.560 -1.916 -2.084 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.296 -1.915 -3.415 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.353 -0.991 -2.139 1.00 0.00 C ATOM 0 H LEU A 95 -8.872 -3.666 0.102 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.062 -0.946 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.395 -2.123 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.815 -0.474 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.208 -2.929 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.611 -2.211 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.128 -2.618 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.677 -0.915 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.695 -1.300 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.686 0.032 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.812 -1.042 -1.194 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.137 -1.787 1.449 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.218 -1.450 2.368 1.00 0.00 C ATOM 1470 C GLN A 96 -11.674 -1.138 3.758 1.00 0.00 C ATOM 1471 O GLN A 96 -12.194 -0.271 4.460 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.226 -2.598 2.448 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.607 -3.923 2.864 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.647 -4.985 3.160 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -13.757 -5.980 2.443 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.417 -4.780 4.222 1.00 0.00 N ATOM 0 H GLN A 96 -11.356 -2.542 0.799 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.720 -0.561 1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.010 -2.334 3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.704 -2.719 1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.948 -4.276 2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.988 -3.769 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -14.292 -3.941 4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.134 -5.461 4.471 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.623 -1.852 4.150 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.007 -1.651 5.457 1.00 0.00 C ATOM 1487 C VAL A 97 -9.295 -0.305 5.527 1.00 0.00 C ATOM 1488 O VAL A 97 -9.580 0.516 6.400 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.000 -2.771 5.780 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.229 -2.445 7.051 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.713 -4.108 5.907 1.00 0.00 C ATOM 0 H VAL A 97 -10.181 -2.574 3.582 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.810 -1.672 6.193 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.287 -2.843 4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.522 -3.247 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.686 -1.509 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.925 -2.345 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.986 -4.888 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.450 -4.053 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.215 -4.343 4.968 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.366 -0.085 4.604 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.612 1.163 4.560 1.00 0.00 C ATOM 1503 C LEU A 98 -8.546 2.359 4.406 1.00 0.00 C ATOM 1504 O LEU A 98 -8.390 3.373 5.086 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.607 1.135 3.406 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.435 0.166 3.561 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.811 -0.139 2.208 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.394 0.736 4.514 1.00 0.00 C ATOM 0 H LEU A 98 -8.117 -0.754 3.876 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.072 1.265 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.142 0.883 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.207 2.140 3.275 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.813 -0.766 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.978 -0.830 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.559 -0.591 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.448 0.785 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.567 0.033 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.021 1.682 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.847 0.902 5.491 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.519 2.232 3.510 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.466 3.309 3.285 1.00 0.00 C ATOM 1522 C GLY A 99 -10.863 4.009 4.569 1.00 0.00 C ATOM 1523 O GLY A 99 -10.753 5.231 4.678 1.00 0.00 O ATOM 0 H GLY A 99 -9.669 1.403 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.030 4.035 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.358 2.910 2.802 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.327 3.235 5.545 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.743 3.789 6.828 1.00 0.00 C ATOM 1529 C HIS A 100 -10.585 4.511 7.510 1.00 0.00 C ATOM 1530 O HIS A 100 -10.640 5.719 7.737 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.275 2.681 7.738 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.125 2.981 9.197 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -12.546 4.162 9.770 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.598 2.244 10.203 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -12.283 4.140 11.065 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -11.708 2.986 11.353 1.00 0.00 N ATOM 0 H HIS A 100 -11.424 2.222 5.472 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.539 4.510 6.643 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.329 2.515 7.516 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.751 1.753 7.511 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.170 1.256 10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.501 4.931 11.768 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.396 2.694 12.279 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.536 3.761 7.834 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.364 4.329 8.490 1.00 0.00 C ATOM 1547 C VAL A 101 -8.042 5.714 7.938 1.00 0.00 C ATOM 1548 O VAL A 101 -7.742 6.639 8.691 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.131 3.422 8.320 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.906 4.060 8.957 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.396 2.047 8.913 1.00 0.00 C ATOM 0 H VAL A 101 -9.474 2.759 7.653 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.603 4.410 9.550 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.935 3.301 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.045 3.404 8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.707 5.020 8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.087 4.214 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.514 1.419 8.784 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.619 2.146 9.975 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.245 1.589 8.405 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.108 5.848 6.617 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.826 7.120 5.964 1.00 0.00 C ATOM 1563 C ALA A 102 -8.654 8.246 6.576 1.00 0.00 C ATOM 1564 O ALA A 102 -8.108 9.223 7.089 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.095 7.017 4.470 1.00 0.00 C ATOM 0 H ALA A 102 -8.354 5.091 5.979 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.772 7.354 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.880 7.974 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.457 6.246 4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.141 6.757 4.306 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.973 8.104 6.516 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.877 9.108 7.065 1.00 0.00 C ATOM 1573 C LYS A 103 -10.616 9.321 8.552 1.00 0.00 C ATOM 1574 O LYS A 103 -10.629 10.451 9.039 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.332 8.688 6.846 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.680 8.435 5.389 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.792 7.408 5.252 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.122 7.958 5.745 1.00 0.00 C ATOM 1579 NZ LYS A 103 -16.269 7.123 5.291 1.00 0.00 N ATOM 0 H LYS A 103 -10.441 7.303 6.092 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.695 10.048 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.530 7.783 7.421 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.988 9.465 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.987 9.370 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.794 8.087 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.885 7.108 4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.534 6.513 5.819 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.115 8.004 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.250 8.978 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.157 7.530 5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.291 7.099 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.160 6.156 5.657 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.378 8.227 9.269 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.110 8.295 10.700 1.00 0.00 C ATOM 1595 C ALA A 104 -8.903 9.180 10.992 1.00 0.00 C ATOM 1596 O ALA A 104 -8.756 9.702 12.096 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.891 6.898 11.263 1.00 0.00 C ATOM 0 H ALA A 104 -10.365 7.283 8.882 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.979 8.739 11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.692 6.964 12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.783 6.295 11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.041 6.434 10.764 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.040 9.343 9.994 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.856 10.165 10.164 1.00 0.00 C ATOM 1605 C GLY A 105 -6.896 11.422 9.317 1.00 0.00 C ATOM 1606 O GLY A 105 -5.865 11.876 8.818 1.00 0.00 O ATOM 0 H GLY A 105 -8.140 8.921 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.757 10.441 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.973 9.583 9.903 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.088 11.984 9.153 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.259 13.196 8.358 1.00 0.00 C ATOM 1612 C LEU A 106 -7.924 14.437 9.180 1.00 0.00 C ATOM 1613 O LEU A 106 -8.092 14.451 10.398 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.693 13.288 7.835 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.949 12.660 6.464 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.442 12.560 6.193 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.259 13.465 5.372 1.00 0.00 C ATOM 0 H LEU A 106 -8.950 11.621 9.559 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.573 13.147 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.354 12.812 8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.975 14.340 7.789 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.533 11.653 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.605 12.111 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.910 11.941 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.883 13.557 6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.452 13.004 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.645 14.484 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.185 13.484 5.558 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.453 15.480 8.502 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.105 16.712 9.185 1.00 0.00 C ATOM 1631 C GLY A 107 -5.612 16.849 9.409 1.00 0.00 C ATOM 1632 O GLY A 107 -5.067 17.953 9.364 1.00 0.00 O ATOM 0 H GLY A 107 -7.307 15.493 7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.461 17.561 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.618 16.749 10.146 1.00 0.00 H new ATOM 1636 N THR A 108 -4.946 15.725 9.654 1.00 0.00 N ATOM 1637 CA THR A 108 -3.507 15.724 9.889 1.00 0.00 C ATOM 1638 C THR A 108 -2.840 14.532 9.212 1.00 0.00 C ATOM 1639 O THR A 108 -3.512 13.682 8.627 1.00 0.00 O ATOM 1640 CB THR A 108 -3.184 15.692 11.394 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.875 14.605 12.021 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.579 17.001 12.061 1.00 0.00 C ATOM 0 H THR A 108 -5.380 14.803 9.695 1.00 0.00 H new ATOM 0 HA THR A 108 -3.116 16.647 9.461 1.00 0.00 H new ATOM 0 HB THR A 108 -2.109 15.554 11.509 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.663 14.591 12.978 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.341 16.954 13.124 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.030 17.823 11.602 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.649 17.165 11.936 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.515 14.475 9.296 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.758 13.385 8.693 1.00 0.00 C ATOM 1652 C ALA A 109 -1.482 12.054 8.862 1.00 0.00 C ATOM 1653 O ALA A 109 -1.921 11.710 9.960 1.00 0.00 O ATOM 1654 CB ALA A 109 0.635 13.311 9.302 1.00 0.00 C ATOM 0 H ALA A 109 -0.944 15.171 9.776 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.667 13.586 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.190 12.493 8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.160 14.250 9.125 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.554 13.137 10.375 1.00 0.00 H new ATOM 1660 N MET A 110 -1.605 11.309 7.768 1.00 0.00 N ATOM 1661 CA MET A 110 -2.277 10.015 7.797 1.00 0.00 C ATOM 1662 C MET A 110 -1.451 8.958 7.071 1.00 0.00 C ATOM 1663 O MET A 110 -1.399 7.801 7.490 1.00 0.00 O ATOM 1664 CB MET A 110 -3.664 10.122 7.159 1.00 0.00 C ATOM 1665 CG MET A 110 -3.687 10.965 5.894 1.00 0.00 C ATOM 1666 SD MET A 110 -5.202 10.746 4.941 1.00 0.00 S ATOM 1667 CE MET A 110 -6.160 12.152 5.500 1.00 0.00 C ATOM 0 H MET A 110 -1.248 11.579 6.851 1.00 0.00 H new ATOM 0 HA MET A 110 -2.387 9.713 8.839 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.026 9.121 6.925 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.356 10.550 7.884 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.579 12.016 6.161 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.830 10.704 5.272 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.171 11.828 5.749 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.690 12.585 6.383 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.204 12.900 4.709 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.806 9.362 5.982 1.00 0.00 N ATOM 1678 CA LEU A 111 0.018 8.448 5.198 1.00 0.00 C ATOM 1679 C LEU A 111 0.722 7.439 6.100 1.00 0.00 C ATOM 1680 O LEU A 111 0.721 6.239 5.825 1.00 0.00 O ATOM 1681 CB LEU A 111 1.051 9.232 4.386 1.00 0.00 C ATOM 1682 CG LEU A 111 0.499 10.342 3.491 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.628 11.220 2.974 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.291 9.749 2.333 1.00 0.00 C ATOM 0 H LEU A 111 -0.838 10.316 5.622 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.635 7.903 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.768 9.674 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.602 8.529 3.761 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.174 10.962 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.217 12.005 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.152 11.672 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.325 10.613 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.677 10.553 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.360 9.107 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.123 9.162 2.723 1.00 0.00 H new ATOM 1696 N TYR A 112 1.320 7.934 7.178 1.00 0.00 N ATOM 1697 CA TYR A 112 2.027 7.076 8.121 1.00 0.00 C ATOM 1698 C TYR A 112 1.135 5.931 8.591 1.00 0.00 C ATOM 1699 O TYR A 112 1.456 4.760 8.393 1.00 0.00 O ATOM 1700 CB TYR A 112 2.507 7.891 9.323 1.00 0.00 C ATOM 1701 CG TYR A 112 3.362 7.100 10.288 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.625 6.652 9.921 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.906 6.801 11.566 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.409 5.928 10.799 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.684 6.080 12.451 1.00 0.00 C ATOM 1706 CZ TYR A 112 4.935 5.645 12.063 1.00 0.00 C ATOM 1707 OH TYR A 112 5.712 4.925 12.941 1.00 0.00 O ATOM 0 H TYR A 112 1.329 8.925 7.420 1.00 0.00 H new ATOM 0 HA TYR A 112 2.891 6.652 7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.076 8.749 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.640 8.283 9.855 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.000 6.873 8.933 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.927 7.138 11.873 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.388 5.586 10.497 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.315 5.858 13.441 1.00 0.00 H new ATOM 0 HH TYR A 112 5.231 4.814 13.788 1.00 0.00 H new ATOM 1717 N GLU A 113 0.014 6.280 9.214 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.925 5.283 9.713 1.00 0.00 C ATOM 1719 C GLU A 113 -1.318 4.306 8.608 1.00 0.00 C ATOM 1720 O GLU A 113 -1.044 3.108 8.696 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.174 5.962 10.277 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.070 6.299 11.755 1.00 0.00 C ATOM 1723 CD GLU A 113 -2.906 7.503 12.139 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -2.600 8.615 11.659 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.866 7.335 12.920 1.00 0.00 O ATOM 0 H GLU A 113 -0.266 7.246 9.385 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.434 4.725 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.363 6.878 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.033 5.310 10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.388 5.438 12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.027 6.490 12.008 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.963 4.825 7.570 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.396 4.000 6.447 1.00 0.00 C ATOM 1734 C LEU A 114 -1.377 2.905 6.152 1.00 0.00 C ATOM 1735 O LEU A 114 -1.732 1.735 6.008 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.607 4.866 5.204 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.897 5.685 5.167 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.818 6.757 4.091 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.098 4.780 4.933 1.00 0.00 C ATOM 0 H LEU A 114 -2.198 5.814 7.482 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.341 3.528 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.763 5.550 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.586 4.219 4.327 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.020 6.176 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.745 7.330 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.982 7.424 4.302 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.670 6.287 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.007 5.381 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.982 4.260 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.166 4.050 5.740 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.109 3.292 6.064 1.00 0.00 N ATOM 1752 CA ILE A 115 0.962 2.342 5.789 1.00 0.00 C ATOM 1753 C ILE A 115 1.055 1.286 6.885 1.00 0.00 C ATOM 1754 O ILE A 115 0.986 0.088 6.612 1.00 0.00 O ATOM 1755 CB ILE A 115 2.324 3.051 5.659 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.311 4.013 4.470 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.441 2.029 5.509 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.383 5.078 4.542 1.00 0.00 C ATOM 0 H ILE A 115 0.202 4.257 6.179 1.00 0.00 H new ATOM 0 HA ILE A 115 0.720 1.860 4.842 1.00 0.00 H new ATOM 0 HB ILE A 115 2.505 3.627 6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.438 3.442 3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.335 4.495 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.397 2.545 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.461 1.380 6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.267 1.428 4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.314 5.724 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.244 5.674 5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.365 4.605 4.567 1.00 0.00 H new ATOM 1770 N GLU A 116 1.209 1.739 8.125 1.00 0.00 N ATOM 1771 CA GLU A 116 1.309 0.831 9.262 1.00 0.00 C ATOM 1772 C GLU A 116 0.256 -0.270 9.174 1.00 0.00 C ATOM 1773 O GLU A 116 0.558 -1.449 9.358 1.00 0.00 O ATOM 1774 CB GLU A 116 1.148 1.602 10.574 1.00 0.00 C ATOM 1775 CG GLU A 116 2.241 2.629 10.815 1.00 0.00 C ATOM 1776 CD GLU A 116 3.558 1.995 11.221 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.640 1.471 12.351 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.505 2.023 10.408 1.00 0.00 O ATOM 0 H GLU A 116 1.267 2.728 8.368 1.00 0.00 H new ATOM 0 HA GLU A 116 2.296 0.368 9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.182 2.106 10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.137 0.894 11.403 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.389 3.216 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.919 3.320 11.594 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.981 0.123 8.891 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.080 -0.828 8.777 1.00 0.00 C ATOM 1787 C LYS A 117 -1.844 -1.796 7.621 1.00 0.00 C ATOM 1788 O LYS A 117 -1.931 -3.011 7.789 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.404 -0.088 8.574 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.627 -0.968 8.758 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.836 -1.334 10.219 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.692 -0.301 10.935 1.00 0.00 C ATOM 1793 NZ LYS A 117 -4.895 0.885 11.355 1.00 0.00 N ATOM 0 H LYS A 117 -1.248 1.095 8.736 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.129 -1.400 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.457 0.744 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.422 0.339 7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.509 -0.450 8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.515 -1.877 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.312 -2.312 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.870 -1.415 10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -6.501 0.019 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.154 -0.756 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.310 1.295 12.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -3.915 0.594 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -4.903 1.595 10.595 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.544 -1.247 6.448 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.299 -2.076 5.282 1.00 0.00 C ATOM 1809 C GLY A 118 -0.548 -3.348 5.623 1.00 0.00 C ATOM 1810 O GLY A 118 -0.976 -4.446 5.266 1.00 0.00 O ATOM 0 H GLY A 118 -1.466 -0.243 6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.250 -2.333 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.729 -1.506 4.548 1.00 0.00 H new ATOM 1814 N LYS A 119 0.577 -3.202 6.315 1.00 0.00 N ATOM 1815 CA LYS A 119 1.391 -4.347 6.704 1.00 0.00 C ATOM 1816 C LYS A 119 0.581 -5.330 7.544 1.00 0.00 C ATOM 1817 O LYS A 119 0.603 -6.535 7.297 1.00 0.00 O ATOM 1818 CB LYS A 119 2.620 -3.882 7.489 1.00 0.00 C ATOM 1819 CG LYS A 119 3.781 -3.458 6.605 1.00 0.00 C ATOM 1820 CD LYS A 119 4.952 -2.948 7.429 1.00 0.00 C ATOM 1821 CE LYS A 119 4.737 -1.509 7.871 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.261 -0.538 6.871 1.00 0.00 N ATOM 0 H LYS A 119 0.946 -2.301 6.618 1.00 0.00 H new ATOM 0 HA LYS A 119 1.717 -4.854 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.337 -3.046 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.949 -4.688 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.104 -4.303 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.451 -2.678 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.086 -3.583 8.305 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.868 -3.017 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.673 -1.332 8.026 1.00 0.00 H new ATOM 0 HE3 LYS A 119 5.230 -1.346 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.204 0.425 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.252 -0.765 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.693 -0.595 6.001 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.132 -4.806 8.536 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.949 -5.639 9.411 1.00 0.00 C ATOM 1838 C GLU A 120 -2.007 -6.394 8.611 1.00 0.00 C ATOM 1839 O GLU A 120 -2.117 -7.616 8.707 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.622 -4.782 10.485 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.779 -4.604 11.737 1.00 0.00 C ATOM 1842 CD GLU A 120 0.635 -4.150 11.429 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.861 -2.924 11.352 1.00 0.00 O ATOM 1844 OE2 GLU A 120 1.514 -5.021 11.265 1.00 0.00 O ATOM 0 H GLU A 120 -0.161 -3.810 8.754 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.295 -6.366 9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.848 -3.801 10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.573 -5.238 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.256 -3.874 12.391 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.743 -5.547 12.283 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.782 -5.656 7.823 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.831 -6.256 7.006 1.00 0.00 C ATOM 1853 C ILE A 121 -3.349 -7.548 6.355 1.00 0.00 C ATOM 1854 O ILE A 121 -3.901 -8.622 6.599 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.310 -5.289 5.908 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.851 -4.001 6.532 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.373 -5.952 5.045 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.018 -2.872 5.540 1.00 0.00 C ATOM 0 H ILE A 121 -2.704 -4.643 7.733 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.664 -6.477 7.673 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.461 -5.035 5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.814 -4.209 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.176 -3.680 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.702 -5.256 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.957 -6.844 4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.223 -6.232 5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.405 -1.991 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.053 -2.636 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.717 -3.174 4.760 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.316 -7.438 5.528 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.758 -8.598 4.842 1.00 0.00 C ATOM 1872 C LEU A 122 -1.686 -9.801 5.778 1.00 0.00 C ATOM 1873 O LEU A 122 -2.227 -10.865 5.479 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.364 -8.274 4.302 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.318 -7.472 3.001 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.121 -7.188 2.600 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.047 -8.214 1.891 1.00 0.00 C ATOM 0 H LEU A 122 -1.847 -6.557 5.316 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.415 -8.847 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.180 -7.720 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.171 -9.211 4.147 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.822 -6.520 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.134 -6.616 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.611 -6.614 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.651 -8.129 2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.004 -7.628 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.572 -9.181 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.088 -8.365 2.177 1.00 0.00 H new ATOM 1889 N SER A 123 -1.017 -9.623 6.912 1.00 0.00 N ATOM 1890 CA SER A 123 -0.873 -10.694 7.891 1.00 0.00 C ATOM 1891 C SER A 123 -2.163 -10.881 8.685 1.00 0.00 C ATOM 1892 O SER A 123 -2.926 -9.936 8.883 1.00 0.00 O ATOM 1893 CB SER A 123 0.286 -10.391 8.843 1.00 0.00 C ATOM 1894 OG SER A 123 0.320 -11.318 9.915 1.00 0.00 O ATOM 0 H SER A 123 -0.566 -8.747 7.176 1.00 0.00 H new ATOM 0 HA SER A 123 -0.660 -11.618 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.229 -10.427 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.183 -9.379 9.236 1.00 0.00 H new ATOM 0 HG SER A 123 1.070 -11.104 10.508 1.00 0.00 H new ATOM 1900 N GLY A 124 -2.399 -12.109 9.138 1.00 0.00 N ATOM 1901 CA GLY A 124 -3.597 -12.399 9.904 1.00 0.00 C ATOM 1902 C GLY A 124 -4.733 -12.900 9.036 1.00 0.00 C ATOM 1903 O GLY A 124 -4.751 -12.700 7.822 1.00 0.00 O ATOM 0 H GLY A 124 -1.782 -12.907 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.367 -13.147 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.915 -11.499 10.430 1.00 0.00 H new ATOM 1907 N PRO A 125 -5.710 -13.572 9.664 1.00 0.00 N ATOM 1908 CA PRO A 125 -6.874 -14.119 8.959 1.00 0.00 C ATOM 1909 C PRO A 125 -7.813 -13.028 8.457 1.00 0.00 C ATOM 1910 O PRO A 125 -7.830 -11.918 8.987 1.00 0.00 O ATOM 1911 CB PRO A 125 -7.566 -14.971 10.026 1.00 0.00 C ATOM 1912 CG PRO A 125 -7.150 -14.366 11.323 1.00 0.00 C ATOM 1913 CD PRO A 125 -5.755 -13.849 11.110 1.00 0.00 C ATOM 0 HA PRO A 125 -6.586 -14.677 8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.649 -14.949 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -7.259 -16.015 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.825 -13.560 11.612 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -7.174 -15.105 12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.566 -12.950 11.697 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.005 -14.584 11.402 1.00 0.00 H new ATOM 1921 N SER A 126 -8.593 -13.352 7.431 1.00 0.00 N ATOM 1922 CA SER A 126 -9.533 -12.398 6.854 1.00 0.00 C ATOM 1923 C SER A 126 -10.230 -11.593 7.948 1.00 0.00 C ATOM 1924 O SER A 126 -10.595 -12.132 8.993 1.00 0.00 O ATOM 1925 CB SER A 126 -10.573 -13.126 6.000 1.00 0.00 C ATOM 1926 OG SER A 126 -9.955 -13.832 4.937 1.00 0.00 O ATOM 0 H SER A 126 -8.593 -14.268 6.982 1.00 0.00 H new ATOM 0 HA SER A 126 -8.972 -11.710 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.138 -13.820 6.622 1.00 0.00 H new ATOM 0 HB3 SER A 126 -11.286 -12.406 5.597 1.00 0.00 H new ATOM 0 HG SER A 126 -10.640 -14.290 4.407 1.00 0.00 H new ATOM 1932 N SER A 127 -10.411 -10.300 7.698 1.00 0.00 N ATOM 1933 CA SER A 127 -11.061 -9.420 8.662 1.00 0.00 C ATOM 1934 C SER A 127 -12.484 -9.887 8.952 1.00 0.00 C ATOM 1935 O SER A 127 -13.335 -9.911 8.064 1.00 0.00 O ATOM 1936 CB SER A 127 -11.081 -7.982 8.138 1.00 0.00 C ATOM 1937 OG SER A 127 -9.837 -7.341 8.361 1.00 0.00 O ATOM 0 H SER A 127 -10.117 -9.839 6.837 1.00 0.00 H new ATOM 0 HA SER A 127 -10.490 -9.454 9.590 1.00 0.00 H new ATOM 0 HB2 SER A 127 -11.307 -7.983 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 127 -11.876 -7.423 8.632 1.00 0.00 H new ATOM 0 HG SER A 127 -9.875 -6.425 8.016 1.00 0.00 H new ATOM 1943 N GLY A 128 -12.734 -10.259 10.204 1.00 0.00 N ATOM 1944 CA GLY A 128 -14.055 -10.721 10.590 1.00 0.00 C ATOM 1945 C GLY A 128 -14.260 -12.195 10.302 1.00 0.00 C ATOM 1946 O GLY A 128 -15.367 -12.714 10.447 1.00 0.00 O ATOM 0 H GLY A 128 -12.046 -10.249 10.957 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -14.204 -10.538 11.654 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -14.809 -10.141 10.058 1.00 0.00 H new TER 1950 GLY A 128