USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 910 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -0.987 X(o=-0.99,f=-1.4) USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=-0.99,f=-1.4) USER MOD Set 2.1: A 46 MET CE :methyl -129:sc= -0.658 (180deg=-1.21) USER MOD Set 2.2: A 74 MET CE :methyl -144:sc= -0.802 (180deg=-2.43!) 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 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.903 K(o=-0.9,f=-2.7!) USER MOD Single : A 15 HIS : no HD1:sc= -2.01 K(o=-2,f=-0.53) USER MOD Single : A 16 THR OG1 : rot 110:sc= -0.59 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 170:sc= 0.0278 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -53:sc= -1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -4.79 K(o=-4.8,f=-1.3) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.06) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -144:sc= 1.02 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.631 K(o=-0.63,f=-4.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc=-0.00369 USER MOD Single : A 75 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.7!) USER MOD Single : A 76 SER OG : rot 52:sc= 0.176 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= -0.0416 (180deg=-0.304) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -157:sc= -0.0786 (180deg=-0.396) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 165:sc= -0.245 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= -0.101 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.135 -7.219 51.388 1.00 0.00 N ATOM 2 CA GLY A 1 11.010 -5.966 50.665 1.00 0.00 C ATOM 3 C GLY A 1 10.608 -6.170 49.218 1.00 0.00 C ATOM 4 O GLY A 1 11.320 -6.820 48.454 1.00 0.00 O ATOM 0 H1 GLY A 1 11.411 -7.026 52.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.223 -7.719 51.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.860 -7.811 50.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.270 -5.337 51.159 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.959 -5.432 50.703 1.00 0.00 H new ATOM 8 N SER A 2 9.461 -5.613 48.840 1.00 0.00 N ATOM 9 CA SER A 2 8.962 -5.741 47.476 1.00 0.00 C ATOM 10 C SER A 2 9.347 -4.524 46.640 1.00 0.00 C ATOM 11 O SER A 2 9.547 -3.431 47.170 1.00 0.00 O ATOM 12 CB SER A 2 7.442 -5.911 47.481 1.00 0.00 C ATOM 13 OG SER A 2 6.796 -4.716 47.884 1.00 0.00 O ATOM 0 H SER A 2 8.860 -5.069 49.459 1.00 0.00 H new ATOM 0 HA SER A 2 9.418 -6.625 47.030 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.101 -6.194 46.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.166 -6.722 48.155 1.00 0.00 H new ATOM 0 HG SER A 2 5.825 -4.851 47.877 1.00 0.00 H new ATOM 19 N SER A 3 9.448 -4.722 45.330 1.00 0.00 N ATOM 20 CA SER A 3 9.813 -3.643 44.420 1.00 0.00 C ATOM 21 C SER A 3 8.751 -2.546 44.425 1.00 0.00 C ATOM 22 O SER A 3 7.557 -2.823 44.529 1.00 0.00 O ATOM 23 CB SER A 3 9.996 -4.184 43.000 1.00 0.00 C ATOM 24 OG SER A 3 8.835 -4.866 42.561 1.00 0.00 O ATOM 0 H SER A 3 9.282 -5.620 44.875 1.00 0.00 H new ATOM 0 HA SER A 3 10.755 -3.215 44.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.217 -3.362 42.320 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.851 -4.860 42.972 1.00 0.00 H new ATOM 0 HG SER A 3 8.977 -5.200 41.651 1.00 0.00 H new ATOM 30 N GLY A 4 9.197 -1.299 44.310 1.00 0.00 N ATOM 31 CA GLY A 4 8.275 -0.179 44.304 1.00 0.00 C ATOM 32 C GLY A 4 7.392 -0.162 43.072 1.00 0.00 C ATOM 33 O GLY A 4 7.344 -1.136 42.321 1.00 0.00 O ATOM 0 H GLY A 4 10.181 -1.045 44.221 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.649 -0.223 45.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.839 0.752 44.356 1.00 0.00 H new ATOM 37 N SER A 5 6.690 0.948 42.864 1.00 0.00 N ATOM 38 CA SER A 5 5.800 1.086 41.717 1.00 0.00 C ATOM 39 C SER A 5 6.506 1.792 40.564 1.00 0.00 C ATOM 40 O SER A 5 7.426 2.582 40.775 1.00 0.00 O ATOM 41 CB SER A 5 4.542 1.861 42.111 1.00 0.00 C ATOM 42 OG SER A 5 4.802 3.252 42.186 1.00 0.00 O ATOM 0 H SER A 5 6.721 1.764 43.475 1.00 0.00 H new ATOM 0 HA SER A 5 5.514 0.087 41.388 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.753 1.674 41.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.178 1.504 43.074 1.00 0.00 H new ATOM 0 HG SER A 5 3.982 3.725 42.438 1.00 0.00 H new ATOM 48 N SER A 6 6.068 1.502 39.343 1.00 0.00 N ATOM 49 CA SER A 6 6.659 2.105 38.154 1.00 0.00 C ATOM 50 C SER A 6 5.835 1.780 36.912 1.00 0.00 C ATOM 51 O SER A 6 5.354 0.660 36.749 1.00 0.00 O ATOM 52 CB SER A 6 8.097 1.616 37.969 1.00 0.00 C ATOM 53 OG SER A 6 8.158 0.200 37.973 1.00 0.00 O ATOM 0 H SER A 6 5.305 0.853 39.151 1.00 0.00 H new ATOM 0 HA SER A 6 6.665 3.186 38.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.496 1.998 37.029 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.725 2.013 38.767 1.00 0.00 H new ATOM 0 HG SER A 6 9.087 -0.088 37.851 1.00 0.00 H new ATOM 59 N GLY A 7 5.677 2.770 36.038 1.00 0.00 N ATOM 60 CA GLY A 7 4.911 2.570 34.822 1.00 0.00 C ATOM 61 C GLY A 7 5.625 3.100 33.594 1.00 0.00 C ATOM 62 O GLY A 7 6.576 3.872 33.707 1.00 0.00 O ATOM 0 H GLY A 7 6.066 3.706 36.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.712 1.506 34.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.945 3.065 34.919 1.00 0.00 H new ATOM 66 N GLU A 8 5.165 2.683 32.419 1.00 0.00 N ATOM 67 CA GLU A 8 5.768 3.119 31.165 1.00 0.00 C ATOM 68 C GLU A 8 4.698 3.565 30.172 1.00 0.00 C ATOM 69 O GLU A 8 4.715 3.200 28.997 1.00 0.00 O ATOM 70 CB GLU A 8 6.606 1.993 30.557 1.00 0.00 C ATOM 71 CG GLU A 8 5.775 0.844 30.010 1.00 0.00 C ATOM 72 CD GLU A 8 6.508 -0.483 30.062 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.700 -0.517 29.691 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.889 -1.486 30.473 1.00 0.00 O ATOM 0 H GLU A 8 4.377 2.044 32.309 1.00 0.00 H new ATOM 0 HA GLU A 8 6.416 3.969 31.380 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.220 2.401 29.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.288 1.608 31.316 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.850 0.766 30.581 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.496 1.061 28.979 1.00 0.00 H new ATOM 81 N PRO A 9 3.743 4.373 30.656 1.00 0.00 N ATOM 82 CA PRO A 9 2.647 4.887 29.829 1.00 0.00 C ATOM 83 C PRO A 9 3.125 5.906 28.800 1.00 0.00 C ATOM 84 O PRO A 9 3.971 6.750 29.096 1.00 0.00 O ATOM 85 CB PRO A 9 1.716 5.551 30.847 1.00 0.00 C ATOM 86 CG PRO A 9 2.601 5.914 31.989 1.00 0.00 C ATOM 87 CD PRO A 9 3.660 4.848 32.048 1.00 0.00 C ATOM 0 HA PRO A 9 2.171 4.098 29.247 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.232 6.432 30.425 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.923 4.872 31.161 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.046 6.898 31.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.038 5.956 32.921 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.613 5.247 32.394 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.384 4.045 32.731 1.00 0.00 H new ATOM 95 N ALA A 10 2.578 5.821 27.592 1.00 0.00 N ATOM 96 CA ALA A 10 2.947 6.738 26.521 1.00 0.00 C ATOM 97 C ALA A 10 2.199 8.061 26.648 1.00 0.00 C ATOM 98 O ALA A 10 1.270 8.186 27.446 1.00 0.00 O ATOM 99 CB ALA A 10 2.674 6.103 25.165 1.00 0.00 C ATOM 0 H ALA A 10 1.878 5.127 27.331 1.00 0.00 H new ATOM 0 HA ALA A 10 4.014 6.945 26.605 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.954 6.799 24.374 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.259 5.188 25.067 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.613 5.866 25.081 1.00 0.00 H new ATOM 105 N HIS A 11 2.611 9.046 25.856 1.00 0.00 N ATOM 106 CA HIS A 11 1.979 10.361 25.881 1.00 0.00 C ATOM 107 C HIS A 11 1.471 10.745 24.494 1.00 0.00 C ATOM 108 O HIS A 11 0.284 11.007 24.307 1.00 0.00 O ATOM 109 CB HIS A 11 2.964 11.414 26.386 1.00 0.00 C ATOM 110 CG HIS A 11 3.554 11.090 27.725 1.00 0.00 C ATOM 111 ND1 HIS A 11 3.048 11.583 28.909 1.00 0.00 N ATOM 112 CD2 HIS A 11 4.611 10.316 28.062 1.00 0.00 C ATOM 113 CE1 HIS A 11 3.770 11.128 29.917 1.00 0.00 C ATOM 114 NE2 HIS A 11 4.725 10.356 29.430 1.00 0.00 N ATOM 0 H HIS A 11 3.379 8.959 25.190 1.00 0.00 H new ATOM 0 HA HIS A 11 1.128 10.316 26.561 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.770 11.524 25.660 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.456 12.376 26.445 1.00 0.00 H new ATOM 0 HD2 HIS A 11 5.247 9.769 27.382 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.607 11.349 30.961 1.00 0.00 H new ATOM 0 HE2 HIS A 11 5.432 9.869 29.981 1.00 0.00 H new ATOM 122 N GLY A 12 2.380 10.778 23.524 1.00 0.00 N ATOM 123 CA GLY A 12 2.006 11.133 22.168 1.00 0.00 C ATOM 124 C GLY A 12 2.845 10.416 21.128 1.00 0.00 C ATOM 125 O GLY A 12 4.015 10.117 21.365 1.00 0.00 O ATOM 0 H GLY A 12 3.369 10.565 23.654 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.954 10.893 22.010 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.111 12.210 22.036 1.00 0.00 H new ATOM 129 N ARG A 13 2.246 10.139 19.975 1.00 0.00 N ATOM 130 CA ARG A 13 2.945 9.450 18.897 1.00 0.00 C ATOM 131 C ARG A 13 2.319 9.781 17.545 1.00 0.00 C ATOM 132 O ARG A 13 1.192 10.270 17.476 1.00 0.00 O ATOM 133 CB ARG A 13 2.918 7.938 19.127 1.00 0.00 C ATOM 134 CG ARG A 13 4.132 7.216 18.566 1.00 0.00 C ATOM 135 CD ARG A 13 4.137 5.747 18.959 1.00 0.00 C ATOM 136 NE ARG A 13 4.726 5.535 20.278 1.00 0.00 N ATOM 137 CZ ARG A 13 4.497 4.457 21.021 1.00 0.00 C ATOM 138 NH1 ARG A 13 3.697 3.499 20.575 1.00 0.00 N ATOM 139 NH2 ARG A 13 5.070 4.337 22.211 1.00 0.00 N ATOM 0 H ARG A 13 1.278 10.381 19.763 1.00 0.00 H new ATOM 0 HA ARG A 13 3.980 9.791 18.892 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.852 7.743 20.197 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.018 7.526 18.672 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.139 7.303 17.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.041 7.694 18.930 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.115 5.367 18.953 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.694 5.175 18.217 1.00 0.00 H new ATOM 0 HE ARG A 13 5.347 6.254 20.650 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.256 3.588 19.660 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.523 2.673 21.147 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.687 5.072 22.557 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.894 3.509 22.781 1.00 0.00 H new ATOM 153 N GLN A 14 3.059 9.510 16.474 1.00 0.00 N ATOM 154 CA GLN A 14 2.576 9.780 15.125 1.00 0.00 C ATOM 155 C GLN A 14 1.869 8.560 14.546 1.00 0.00 C ATOM 156 O GLN A 14 2.496 7.534 14.278 1.00 0.00 O ATOM 157 CB GLN A 14 3.738 10.190 14.218 1.00 0.00 C ATOM 158 CG GLN A 14 4.812 9.122 14.086 1.00 0.00 C ATOM 159 CD GLN A 14 6.060 9.632 13.391 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.982 10.284 12.350 1.00 0.00 O ATOM 161 NE2 GLN A 14 7.220 9.338 13.967 1.00 0.00 N ATOM 0 H GLN A 14 3.994 9.104 16.515 1.00 0.00 H new ATOM 0 HA GLN A 14 1.860 10.600 15.179 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.349 10.427 13.228 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.190 11.101 14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.077 8.754 15.077 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.411 8.275 13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.238 8.795 14.830 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.093 9.656 13.546 1.00 0.00 H new ATOM 170 N HIS A 15 0.559 8.676 14.355 1.00 0.00 N ATOM 171 CA HIS A 15 -0.235 7.582 13.807 1.00 0.00 C ATOM 172 C HIS A 15 -0.760 7.934 12.418 1.00 0.00 C ATOM 173 O HIS A 15 -1.028 9.099 12.120 1.00 0.00 O ATOM 174 CB HIS A 15 -1.402 7.254 14.738 1.00 0.00 C ATOM 175 CG HIS A 15 -1.006 6.439 15.931 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.110 6.883 16.881 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.390 5.203 16.326 1.00 0.00 C ATOM 178 CE1 HIS A 15 0.041 5.954 17.808 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.726 4.924 17.495 1.00 0.00 N ATOM 0 H HIS A 15 0.024 9.517 14.572 1.00 0.00 H new ATOM 0 HA HIS A 15 0.409 6.706 13.722 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.857 8.184 15.079 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.164 6.714 14.176 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.089 4.556 15.816 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.682 6.024 18.674 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.811 4.062 18.034 1.00 0.00 H new ATOM 187 N THR A 16 -0.904 6.920 11.570 1.00 0.00 N ATOM 188 CA THR A 16 -1.395 7.122 10.213 1.00 0.00 C ATOM 189 C THR A 16 -2.697 6.365 9.981 1.00 0.00 C ATOM 190 O THR A 16 -2.801 5.166 10.240 1.00 0.00 O ATOM 191 CB THR A 16 -0.358 6.671 9.168 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.931 6.718 7.856 1.00 0.00 O ATOM 193 CG2 THR A 16 0.129 5.260 9.463 1.00 0.00 C ATOM 0 H THR A 16 -0.687 5.950 11.800 1.00 0.00 H new ATOM 0 HA THR A 16 -1.575 8.191 10.097 1.00 0.00 H new ATOM 0 HB THR A 16 0.493 7.350 9.217 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.522 7.448 7.346 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.861 4.963 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.591 5.233 10.450 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.715 4.571 9.439 1.00 0.00 H new ATOM 201 N PRO A 17 -3.716 7.078 9.479 1.00 0.00 N ATOM 202 CA PRO A 17 -5.031 6.492 9.199 1.00 0.00 C ATOM 203 C PRO A 17 -4.996 5.528 8.019 1.00 0.00 C ATOM 204 O PRO A 17 -4.034 5.506 7.250 1.00 0.00 O ATOM 205 CB PRO A 17 -5.899 7.709 8.871 1.00 0.00 C ATOM 206 CG PRO A 17 -4.939 8.738 8.382 1.00 0.00 C ATOM 207 CD PRO A 17 -3.664 8.512 9.146 1.00 0.00 C ATOM 0 HA PRO A 17 -5.401 5.901 10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.644 7.471 8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.440 8.058 9.751 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.774 8.639 7.309 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.324 9.743 8.554 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.787 8.754 8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.617 9.131 10.042 1.00 0.00 H new ATOM 215 N CYS A 18 -6.051 4.732 7.879 1.00 0.00 N ATOM 216 CA CYS A 18 -6.142 3.765 6.792 1.00 0.00 C ATOM 217 C CYS A 18 -6.597 4.440 5.501 1.00 0.00 C ATOM 218 O CYS A 18 -7.178 5.526 5.526 1.00 0.00 O ATOM 219 CB CYS A 18 -7.111 2.641 7.162 1.00 0.00 C ATOM 220 SG CYS A 18 -7.073 1.221 6.021 1.00 0.00 S ATOM 0 H CYS A 18 -6.856 4.738 8.506 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.150 3.342 6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.878 2.292 8.168 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.124 3.043 7.191 1.00 0.00 H new ATOM 225 N LEU A 19 -6.329 3.789 4.374 1.00 0.00 N ATOM 226 CA LEU A 19 -6.710 4.325 3.072 1.00 0.00 C ATOM 227 C LEU A 19 -8.162 3.986 2.748 1.00 0.00 C ATOM 228 O LEU A 19 -8.915 4.833 2.267 1.00 0.00 O ATOM 229 CB LEU A 19 -5.790 3.773 1.982 1.00 0.00 C ATOM 230 CG LEU A 19 -4.291 3.834 2.275 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.957 5.069 3.096 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.837 2.573 2.997 1.00 0.00 C ATOM 0 H LEU A 19 -5.849 2.890 4.336 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.609 5.410 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.062 2.734 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.982 4.322 1.060 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.758 3.898 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.886 5.095 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.245 5.963 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.500 5.036 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.767 2.634 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.378 2.478 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.040 1.703 2.373 1.00 0.00 H new ATOM 244 N PHE A 20 -8.548 2.743 3.017 1.00 0.00 N ATOM 245 CA PHE A 20 -9.910 2.293 2.755 1.00 0.00 C ATOM 246 C PHE A 20 -10.849 2.718 3.880 1.00 0.00 C ATOM 247 O PHE A 20 -11.943 3.227 3.632 1.00 0.00 O ATOM 248 CB PHE A 20 -9.944 0.771 2.594 1.00 0.00 C ATOM 249 CG PHE A 20 -9.027 0.261 1.520 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.454 0.187 0.204 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.738 -0.144 1.826 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.612 -0.283 -0.787 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.891 -0.614 0.839 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.329 -0.683 -0.469 1.00 0.00 C ATOM 0 H PHE A 20 -7.937 2.030 3.416 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.248 2.757 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.673 0.307 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.964 0.460 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.456 0.500 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.391 -0.092 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.957 -0.337 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.888 -0.927 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.669 -1.049 -1.242 1.00 0.00 H new ATOM 264 N CYS A 21 -10.415 2.505 5.117 1.00 0.00 N ATOM 265 CA CYS A 21 -11.216 2.864 6.282 1.00 0.00 C ATOM 266 C CYS A 21 -10.593 4.040 7.028 1.00 0.00 C ATOM 267 O CYS A 21 -9.598 4.614 6.584 1.00 0.00 O ATOM 268 CB CYS A 21 -11.354 1.665 7.222 1.00 0.00 C ATOM 269 SG CYS A 21 -9.811 1.208 8.076 1.00 0.00 S ATOM 0 H CYS A 21 -9.512 2.085 5.339 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.206 3.160 5.934 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.117 1.888 7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.708 0.807 6.650 1.00 0.00 H new ATOM 274 N ASP A 22 -11.185 4.393 8.164 1.00 0.00 N ATOM 275 CA ASP A 22 -10.688 5.499 8.973 1.00 0.00 C ATOM 276 C ASP A 22 -10.019 4.985 10.244 1.00 0.00 C ATOM 277 O ASP A 22 -10.182 5.561 11.320 1.00 0.00 O ATOM 278 CB ASP A 22 -11.831 6.450 9.333 1.00 0.00 C ATOM 279 CG ASP A 22 -12.387 7.170 8.120 1.00 0.00 C ATOM 280 OD1 ASP A 22 -11.583 7.639 7.288 1.00 0.00 O ATOM 281 OD2 ASP A 22 -13.627 7.265 8.004 1.00 0.00 O ATOM 0 H ASP A 22 -12.010 3.929 8.545 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.946 6.041 8.386 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.630 5.887 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.475 7.184 10.056 1.00 0.00 H new ATOM 286 N ARG A 23 -9.267 3.898 10.113 1.00 0.00 N ATOM 287 CA ARG A 23 -8.575 3.304 11.251 1.00 0.00 C ATOM 288 C ARG A 23 -7.163 3.868 11.383 1.00 0.00 C ATOM 289 O ARG A 23 -6.407 3.911 10.412 1.00 0.00 O ATOM 290 CB ARG A 23 -8.516 1.783 11.103 1.00 0.00 C ATOM 291 CG ARG A 23 -9.858 1.099 11.311 1.00 0.00 C ATOM 292 CD ARG A 23 -9.768 -0.396 11.045 1.00 0.00 C ATOM 293 NE ARG A 23 -10.779 -1.145 11.786 1.00 0.00 N ATOM 294 CZ ARG A 23 -10.658 -1.476 13.066 1.00 0.00 C ATOM 295 NH1 ARG A 23 -9.575 -1.125 13.746 1.00 0.00 N ATOM 296 NH2 ARG A 23 -11.622 -2.159 13.671 1.00 0.00 N ATOM 0 H ARG A 23 -9.121 3.410 9.229 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.133 3.552 12.153 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.143 1.537 10.109 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.799 1.384 11.821 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.200 1.268 12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.601 1.544 10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.888 -0.582 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.776 -0.754 11.321 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.625 -1.430 11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.832 -0.599 13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.485 -1.381 14.729 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.457 -2.430 13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.527 -2.412 14.654 1.00 0.00 H new ATOM 310 N LEU A 24 -6.815 4.300 12.590 1.00 0.00 N ATOM 311 CA LEU A 24 -5.494 4.862 12.850 1.00 0.00 C ATOM 312 C LEU A 24 -4.515 3.775 13.281 1.00 0.00 C ATOM 313 O LEU A 24 -4.895 2.810 13.945 1.00 0.00 O ATOM 314 CB LEU A 24 -5.581 5.943 13.929 1.00 0.00 C ATOM 315 CG LEU A 24 -6.077 7.314 13.468 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.341 8.216 14.663 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.069 7.955 12.525 1.00 0.00 C ATOM 0 H LEU A 24 -7.429 4.272 13.404 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.128 5.309 11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.242 5.587 14.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.593 6.067 14.372 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.014 7.178 12.929 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.693 9.187 14.315 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.099 7.762 15.301 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.420 8.346 15.231 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.438 8.930 12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.116 8.078 13.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.930 7.317 11.652 1.00 0.00 H new ATOM 329 N PHE A 25 -3.252 3.938 12.900 1.00 0.00 N ATOM 330 CA PHE A 25 -2.218 2.971 13.248 1.00 0.00 C ATOM 331 C PHE A 25 -0.933 3.677 13.669 1.00 0.00 C ATOM 332 O PHE A 25 -0.741 4.860 13.389 1.00 0.00 O ATOM 333 CB PHE A 25 -1.938 2.043 12.064 1.00 0.00 C ATOM 334 CG PHE A 25 -3.130 1.229 11.646 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.093 1.768 10.807 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.286 -0.073 12.090 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.190 1.021 10.422 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.381 -0.825 11.707 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.334 -0.277 10.871 1.00 0.00 C ATOM 0 H PHE A 25 -2.920 4.731 12.350 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.579 2.378 14.088 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.600 2.640 11.217 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.122 1.370 12.325 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.985 2.782 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.543 -0.506 12.743 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.935 1.452 9.770 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.491 -1.839 12.061 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.190 -0.862 10.569 1.00 0.00 H new ATOM 349 N ALA A 26 -0.055 2.943 14.345 1.00 0.00 N ATOM 350 CA ALA A 26 1.213 3.497 14.804 1.00 0.00 C ATOM 351 C ALA A 26 2.159 3.746 13.634 1.00 0.00 C ATOM 352 O ALA A 26 2.651 4.858 13.447 1.00 0.00 O ATOM 353 CB ALA A 26 1.859 2.567 15.820 1.00 0.00 C ATOM 0 H ALA A 26 -0.199 1.963 14.587 1.00 0.00 H new ATOM 0 HA ALA A 26 1.010 4.455 15.283 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.805 2.994 16.154 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.194 2.444 16.675 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.041 1.596 15.360 1.00 0.00 H new ATOM 359 N SER A 27 2.410 2.702 12.850 1.00 0.00 N ATOM 360 CA SER A 27 3.302 2.806 11.701 1.00 0.00 C ATOM 361 C SER A 27 2.606 2.332 10.429 1.00 0.00 C ATOM 362 O SER A 27 1.544 1.713 10.483 1.00 0.00 O ATOM 363 CB SER A 27 4.571 1.986 11.938 1.00 0.00 C ATOM 364 OG SER A 27 5.349 2.540 12.985 1.00 0.00 O ATOM 0 H SER A 27 2.008 1.775 12.990 1.00 0.00 H new ATOM 0 HA SER A 27 3.574 3.854 11.577 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.303 0.959 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.161 1.950 11.022 1.00 0.00 H new ATOM 0 HG SER A 27 6.154 1.996 13.118 1.00 0.00 H new ATOM 370 N ALA A 28 3.214 2.627 9.285 1.00 0.00 N ATOM 371 CA ALA A 28 2.655 2.230 7.998 1.00 0.00 C ATOM 372 C ALA A 28 2.436 0.722 7.937 1.00 0.00 C ATOM 373 O ALA A 28 1.325 0.258 7.681 1.00 0.00 O ATOM 374 CB ALA A 28 3.566 2.680 6.866 1.00 0.00 C ATOM 0 H ALA A 28 4.094 3.139 9.223 1.00 0.00 H new ATOM 0 HA ALA A 28 1.686 2.716 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.137 2.377 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.668 3.765 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.547 2.221 6.984 1.00 0.00 H new ATOM 380 N GLU A 29 3.502 -0.036 8.172 1.00 0.00 N ATOM 381 CA GLU A 29 3.424 -1.492 8.142 1.00 0.00 C ATOM 382 C GLU A 29 2.108 -1.979 8.740 1.00 0.00 C ATOM 383 O GLU A 29 1.314 -2.635 8.067 1.00 0.00 O ATOM 384 CB GLU A 29 4.601 -2.104 8.904 1.00 0.00 C ATOM 385 CG GLU A 29 5.892 -2.143 8.103 1.00 0.00 C ATOM 386 CD GLU A 29 5.721 -2.817 6.756 1.00 0.00 C ATOM 387 OE1 GLU A 29 5.781 -4.064 6.705 1.00 0.00 O ATOM 388 OE2 GLU A 29 5.528 -2.100 5.752 1.00 0.00 O ATOM 0 H GLU A 29 4.429 0.333 8.385 1.00 0.00 H new ATOM 0 HA GLU A 29 3.470 -1.811 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.767 -1.533 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.340 -3.118 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.253 -1.126 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.655 -2.671 8.675 1.00 0.00 H new ATOM 395 N GLU A 30 1.885 -1.654 10.010 1.00 0.00 N ATOM 396 CA GLU A 30 0.666 -2.060 10.699 1.00 0.00 C ATOM 397 C GLU A 30 -0.547 -1.928 9.783 1.00 0.00 C ATOM 398 O GLU A 30 -1.277 -2.893 9.556 1.00 0.00 O ATOM 399 CB GLU A 30 0.461 -1.217 11.959 1.00 0.00 C ATOM 400 CG GLU A 30 1.113 -1.807 13.199 1.00 0.00 C ATOM 401 CD GLU A 30 2.601 -2.036 13.023 1.00 0.00 C ATOM 402 OE1 GLU A 30 3.228 -1.294 12.238 1.00 0.00 O ATOM 403 OE2 GLU A 30 3.139 -2.959 13.670 1.00 0.00 O ATOM 0 H GLU A 30 2.532 -1.111 10.582 1.00 0.00 H new ATOM 0 HA GLU A 30 0.772 -3.107 10.984 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.863 -0.219 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.608 -1.103 12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.950 -1.138 14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.630 -2.753 13.444 1.00 0.00 H new ATOM 410 N THR A 31 -0.757 -0.724 9.258 1.00 0.00 N ATOM 411 CA THR A 31 -1.881 -0.464 8.368 1.00 0.00 C ATOM 412 C THR A 31 -1.913 -1.462 7.216 1.00 0.00 C ATOM 413 O THR A 31 -2.861 -2.236 7.078 1.00 0.00 O ATOM 414 CB THR A 31 -1.824 0.964 7.794 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.345 1.874 8.790 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.196 1.409 7.311 1.00 0.00 C ATOM 0 H THR A 31 -0.163 0.086 9.434 1.00 0.00 H new ATOM 0 HA THR A 31 -2.787 -0.572 8.964 1.00 0.00 H new ATOM 0 HB THR A 31 -1.141 0.963 6.945 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.159 2.743 8.377 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.130 2.420 6.910 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.545 0.732 6.531 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.898 1.394 8.145 1.00 0.00 H new ATOM 424 N PHE A 32 -0.872 -1.439 6.391 1.00 0.00 N ATOM 425 CA PHE A 32 -0.781 -2.343 5.250 1.00 0.00 C ATOM 426 C PHE A 32 -1.234 -3.749 5.632 1.00 0.00 C ATOM 427 O PHE A 32 -2.164 -4.295 5.039 1.00 0.00 O ATOM 428 CB PHE A 32 0.653 -2.384 4.718 1.00 0.00 C ATOM 429 CG PHE A 32 1.096 -1.095 4.087 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.280 -0.435 3.182 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.327 -0.542 4.400 1.00 0.00 C ATOM 432 CE1 PHE A 32 0.685 0.751 2.600 1.00 0.00 C ATOM 433 CE2 PHE A 32 2.738 0.644 3.821 1.00 0.00 C ATOM 434 CZ PHE A 32 1.915 1.292 2.921 1.00 0.00 C ATOM 0 H PHE A 32 -0.080 -0.805 6.491 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.441 -1.968 4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.329 -2.629 5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.737 -3.186 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.683 -0.852 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.973 -1.044 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.041 1.255 1.895 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.701 1.063 4.072 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.232 2.220 2.469 1.00 0.00 H new ATOM 444 N SER A 33 -0.570 -4.329 6.626 1.00 0.00 N ATOM 445 CA SER A 33 -0.900 -5.673 7.085 1.00 0.00 C ATOM 446 C SER A 33 -2.381 -5.778 7.436 1.00 0.00 C ATOM 447 O SER A 33 -3.031 -6.782 7.142 1.00 0.00 O ATOM 448 CB SER A 33 -0.049 -6.043 8.302 1.00 0.00 C ATOM 449 OG SER A 33 -0.069 -7.441 8.531 1.00 0.00 O ATOM 0 H SER A 33 0.200 -3.889 7.129 1.00 0.00 H new ATOM 0 HA SER A 33 -0.685 -6.370 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.978 -5.711 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.422 -5.521 9.183 1.00 0.00 H new ATOM 0 HG SER A 33 0.483 -7.652 9.313 1.00 0.00 H new ATOM 455 N HIS A 34 -2.910 -4.733 8.066 1.00 0.00 N ATOM 456 CA HIS A 34 -4.315 -4.707 8.457 1.00 0.00 C ATOM 457 C HIS A 34 -5.221 -4.794 7.233 1.00 0.00 C ATOM 458 O HIS A 34 -6.189 -5.556 7.218 1.00 0.00 O ATOM 459 CB HIS A 34 -4.623 -3.433 9.244 1.00 0.00 C ATOM 460 CG HIS A 34 -6.016 -2.923 9.037 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.136 -3.593 9.480 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.466 -1.800 8.431 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.216 -2.905 9.154 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.837 -1.812 8.517 1.00 0.00 N ATOM 0 H HIS A 34 -2.387 -3.894 8.316 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.506 -5.573 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.470 -3.626 10.306 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.914 -2.657 8.955 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.132 -4.481 9.981 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.860 -1.036 7.966 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.235 -3.188 9.371 1.00 0.00 H new ATOM 472 N CYS A 35 -4.901 -4.010 6.209 1.00 0.00 N ATOM 473 CA CYS A 35 -5.688 -3.998 4.981 1.00 0.00 C ATOM 474 C CYS A 35 -5.557 -5.324 4.238 1.00 0.00 C ATOM 475 O CYS A 35 -6.438 -5.707 3.468 1.00 0.00 O ATOM 476 CB CYS A 35 -5.243 -2.847 4.077 1.00 0.00 C ATOM 477 SG CYS A 35 -5.325 -1.219 4.861 1.00 0.00 S ATOM 0 H CYS A 35 -4.103 -3.375 6.205 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.734 -3.855 5.251 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.219 -3.030 3.751 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.866 -2.840 3.183 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.512 -1.036 5.357 1.00 0.00 H new ATOM 483 N LYS A 36 -4.450 -6.020 4.472 1.00 0.00 N ATOM 484 CA LYS A 36 -4.201 -7.303 3.826 1.00 0.00 C ATOM 485 C LYS A 36 -5.031 -8.408 4.472 1.00 0.00 C ATOM 486 O LYS A 36 -5.242 -9.467 3.880 1.00 0.00 O ATOM 487 CB LYS A 36 -2.714 -7.657 3.903 1.00 0.00 C ATOM 488 CG LYS A 36 -1.832 -6.765 3.047 1.00 0.00 C ATOM 489 CD LYS A 36 -0.357 -7.015 3.317 1.00 0.00 C ATOM 490 CE LYS A 36 0.474 -5.765 3.072 1.00 0.00 C ATOM 491 NZ LYS A 36 1.685 -5.726 3.937 1.00 0.00 N ATOM 0 H LYS A 36 -3.710 -5.717 5.105 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.494 -7.217 2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.386 -7.590 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.579 -8.693 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.045 -6.944 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.067 -5.720 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.225 -7.344 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.000 -7.822 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.774 -5.728 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.135 -4.881 3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.225 -4.859 3.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.398 -5.736 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.280 -6.556 3.740 1.00 0.00 H new ATOM 505 N LEU A 37 -5.502 -8.153 5.688 1.00 0.00 N ATOM 506 CA LEU A 37 -6.311 -9.126 6.414 1.00 0.00 C ATOM 507 C LEU A 37 -7.796 -8.908 6.145 1.00 0.00 C ATOM 508 O LEU A 37 -8.520 -9.846 5.813 1.00 0.00 O ATOM 509 CB LEU A 37 -6.034 -9.030 7.915 1.00 0.00 C ATOM 510 CG LEU A 37 -4.582 -9.243 8.345 1.00 0.00 C ATOM 511 CD1 LEU A 37 -4.322 -8.586 9.692 1.00 0.00 C ATOM 512 CD2 LEU A 37 -4.254 -10.727 8.401 1.00 0.00 C ATOM 0 H LEU A 37 -5.338 -7.281 6.192 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.039 -10.122 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.354 -8.047 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.655 -9.766 8.426 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.932 -8.776 7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.284 -8.748 9.982 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.515 -7.516 9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.980 -9.023 10.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.217 -10.859 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.911 -11.218 9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.399 -11.169 7.415 1.00 0.00 H new ATOM 524 N GLU A 38 -8.242 -7.664 6.287 1.00 0.00 N ATOM 525 CA GLU A 38 -9.641 -7.323 6.057 1.00 0.00 C ATOM 526 C GLU A 38 -9.880 -6.962 4.594 1.00 0.00 C ATOM 527 O GLU A 38 -10.594 -7.664 3.878 1.00 0.00 O ATOM 528 CB GLU A 38 -10.060 -6.158 6.956 1.00 0.00 C ATOM 529 CG GLU A 38 -10.087 -6.510 8.434 1.00 0.00 C ATOM 530 CD GLU A 38 -10.553 -5.355 9.300 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.531 -4.682 8.913 1.00 0.00 O ATOM 532 OE2 GLU A 38 -9.941 -5.125 10.363 1.00 0.00 O ATOM 0 H GLU A 38 -7.655 -6.876 6.560 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.246 -8.197 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.373 -5.326 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.050 -5.815 6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.746 -7.364 8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.090 -6.816 8.749 1.00 0.00 H new ATOM 539 N HIS A 39 -9.277 -5.861 4.156 1.00 0.00 N ATOM 540 CA HIS A 39 -9.424 -5.405 2.778 1.00 0.00 C ATOM 541 C HIS A 39 -8.677 -6.327 1.819 1.00 0.00 C ATOM 542 O HIS A 39 -8.706 -6.129 0.605 1.00 0.00 O ATOM 543 CB HIS A 39 -8.907 -3.973 2.635 1.00 0.00 C ATOM 544 CG HIS A 39 -9.423 -3.042 3.688 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.680 -3.157 4.244 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.843 -1.977 4.289 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.851 -2.201 5.140 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.751 -1.471 5.186 1.00 0.00 N ATOM 0 H HIS A 39 -8.682 -5.268 4.735 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.484 -5.427 2.524 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.818 -3.983 2.673 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.188 -3.590 1.654 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.369 -3.868 4.002 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.851 -1.596 4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.739 -2.043 5.734 1.00 0.00 H new ATOM 556 N GLN A 40 -8.008 -7.333 2.373 1.00 0.00 N ATOM 557 CA GLN A 40 -7.252 -8.283 1.566 1.00 0.00 C ATOM 558 C GLN A 40 -6.537 -7.576 0.419 1.00 0.00 C ATOM 559 O GLN A 40 -6.450 -8.102 -0.690 1.00 0.00 O ATOM 560 CB GLN A 40 -8.180 -9.367 1.013 1.00 0.00 C ATOM 561 CG GLN A 40 -9.299 -8.822 0.140 1.00 0.00 C ATOM 562 CD GLN A 40 -10.003 -9.906 -0.651 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.496 -10.374 -1.671 1.00 0.00 O ATOM 564 NE2 GLN A 40 -11.177 -10.313 -0.184 1.00 0.00 N ATOM 0 H GLN A 40 -7.974 -7.511 3.377 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.502 -8.748 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.591 -10.077 0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.616 -9.920 1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.025 -8.306 0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.890 -8.083 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.560 -9.898 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.696 -11.041 -0.674 1.00 0.00 H new ATOM 573 N PHE A 41 -6.027 -6.380 0.695 1.00 0.00 N ATOM 574 CA PHE A 41 -5.320 -5.600 -0.315 1.00 0.00 C ATOM 575 C PHE A 41 -3.862 -5.392 0.082 1.00 0.00 C ATOM 576 O PHE A 41 -3.564 -4.991 1.206 1.00 0.00 O ATOM 577 CB PHE A 41 -6.005 -4.246 -0.514 1.00 0.00 C ATOM 578 CG PHE A 41 -5.078 -3.174 -1.011 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.871 -2.993 -2.370 1.00 0.00 C ATOM 580 CD2 PHE A 41 -4.414 -2.345 -0.121 1.00 0.00 C ATOM 581 CE1 PHE A 41 -4.018 -2.008 -2.830 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.561 -1.358 -0.575 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.363 -1.188 -1.931 1.00 0.00 C ATOM 0 H PHE A 41 -6.090 -5.930 1.608 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.347 -6.155 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.825 -4.363 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.443 -3.927 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.382 -3.629 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.565 -2.472 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.863 -1.879 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.049 -0.720 0.130 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.698 -0.416 -2.288 1.00 0.00 H new ATOM 593 N ASN A 42 -2.956 -5.667 -0.851 1.00 0.00 N ATOM 594 CA ASN A 42 -1.528 -5.512 -0.600 1.00 0.00 C ATOM 595 C ASN A 42 -0.983 -4.274 -1.305 1.00 0.00 C ATOM 596 O ASN A 42 -1.317 -4.008 -2.460 1.00 0.00 O ATOM 597 CB ASN A 42 -0.768 -6.755 -1.067 1.00 0.00 C ATOM 598 CG ASN A 42 0.526 -6.962 -0.305 1.00 0.00 C ATOM 599 OD1 ASN A 42 0.720 -7.990 0.344 1.00 0.00 O ATOM 600 ND2 ASN A 42 1.420 -5.983 -0.381 1.00 0.00 N ATOM 0 H ASN A 42 -3.186 -5.998 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.385 -5.390 0.474 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.403 -7.633 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.549 -6.665 -2.131 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.310 -6.066 0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.217 -5.148 -0.931 1.00 0.00 H new ATOM 607 N ILE A 43 -0.144 -3.521 -0.603 1.00 0.00 N ATOM 608 CA ILE A 43 0.449 -2.312 -1.162 1.00 0.00 C ATOM 609 C ILE A 43 1.687 -2.639 -1.990 1.00 0.00 C ATOM 610 O ILE A 43 1.827 -2.180 -3.124 1.00 0.00 O ATOM 611 CB ILE A 43 0.833 -1.310 -0.057 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.385 -0.024 -0.675 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.851 -1.930 0.888 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.318 0.865 -1.275 1.00 0.00 C ATOM 0 H ILE A 43 0.141 -3.726 0.355 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.305 -1.859 -1.805 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.061 -1.061 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.924 0.535 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.108 -0.283 -1.449 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.113 -1.210 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.424 -2.821 1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.746 -2.204 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.782 1.758 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.206 0.324 -2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.392 1.155 -0.500 1.00 0.00 H new ATOM 626 N ASP A 44 2.582 -3.435 -1.416 1.00 0.00 N ATOM 627 CA ASP A 44 3.808 -3.827 -2.102 1.00 0.00 C ATOM 628 C ASP A 44 3.508 -4.315 -3.516 1.00 0.00 C ATOM 629 O ASP A 44 4.178 -3.926 -4.472 1.00 0.00 O ATOM 630 CB ASP A 44 4.531 -4.920 -1.314 1.00 0.00 C ATOM 631 CG ASP A 44 5.615 -5.600 -2.128 1.00 0.00 C ATOM 632 OD1 ASP A 44 6.503 -4.889 -2.643 1.00 0.00 O ATOM 633 OD2 ASP A 44 5.574 -6.842 -2.251 1.00 0.00 O ATOM 0 H ASP A 44 2.482 -3.822 -0.477 1.00 0.00 H new ATOM 0 HA ASP A 44 4.453 -2.951 -2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.973 -4.486 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.807 -5.665 -0.984 1.00 0.00 H new ATOM 638 N SER A 45 2.497 -5.170 -3.639 1.00 0.00 N ATOM 639 CA SER A 45 2.112 -5.715 -4.935 1.00 0.00 C ATOM 640 C SER A 45 1.857 -4.596 -5.941 1.00 0.00 C ATOM 641 O SER A 45 2.195 -4.716 -7.118 1.00 0.00 O ATOM 642 CB SER A 45 0.861 -6.584 -4.795 1.00 0.00 C ATOM 643 OG SER A 45 0.577 -7.269 -6.003 1.00 0.00 O ATOM 0 H SER A 45 1.931 -5.500 -2.857 1.00 0.00 H new ATOM 0 HA SER A 45 2.934 -6.330 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.003 -7.305 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.011 -5.961 -4.518 1.00 0.00 H new ATOM 0 HG SER A 45 -0.226 -7.818 -5.886 1.00 0.00 H new ATOM 649 N MET A 46 1.257 -3.509 -5.468 1.00 0.00 N ATOM 650 CA MET A 46 0.957 -2.368 -6.325 1.00 0.00 C ATOM 651 C MET A 46 2.240 -1.714 -6.828 1.00 0.00 C ATOM 652 O MET A 46 2.356 -1.376 -8.006 1.00 0.00 O ATOM 653 CB MET A 46 0.111 -1.342 -5.567 1.00 0.00 C ATOM 654 CG MET A 46 -1.225 -1.889 -5.093 1.00 0.00 C ATOM 655 SD MET A 46 -2.256 -2.477 -6.450 1.00 0.00 S ATOM 656 CE MET A 46 -3.017 -0.947 -6.986 1.00 0.00 C ATOM 0 H MET A 46 0.969 -3.394 -4.496 1.00 0.00 H new ATOM 0 HA MET A 46 0.393 -2.729 -7.185 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.674 -0.984 -4.705 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.066 -0.481 -6.212 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.051 -2.707 -4.394 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.759 -1.111 -4.547 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.098 -1.079 -7.043 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.785 -0.156 -6.273 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.632 -0.674 -7.969 1.00 0.00 H new ATOM 666 N VAL A 47 3.202 -1.538 -5.927 1.00 0.00 N ATOM 667 CA VAL A 47 4.477 -0.925 -6.280 1.00 0.00 C ATOM 668 C VAL A 47 5.166 -1.696 -7.400 1.00 0.00 C ATOM 669 O VAL A 47 5.832 -1.110 -8.254 1.00 0.00 O ATOM 670 CB VAL A 47 5.421 -0.853 -5.065 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.758 -0.248 -5.463 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.779 -0.057 -3.939 1.00 0.00 C ATOM 0 H VAL A 47 3.122 -1.811 -4.948 1.00 0.00 H new ATOM 0 HA VAL A 47 4.258 0.087 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 47 5.601 -1.866 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.412 -0.205 -4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.221 -0.864 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.601 0.759 -5.849 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.459 -0.016 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.568 0.955 -4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.849 -0.539 -3.637 1.00 0.00 H new ATOM 682 N HIS A 48 5.001 -3.015 -7.392 1.00 0.00 N ATOM 683 CA HIS A 48 5.607 -3.868 -8.408 1.00 0.00 C ATOM 684 C HIS A 48 4.750 -3.901 -9.670 1.00 0.00 C ATOM 685 O HIS A 48 5.270 -3.911 -10.786 1.00 0.00 O ATOM 686 CB HIS A 48 5.795 -5.287 -7.868 1.00 0.00 C ATOM 687 CG HIS A 48 6.902 -5.404 -6.866 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.229 -5.517 -7.221 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.873 -5.424 -5.513 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.969 -5.603 -6.130 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.170 -5.549 -5.080 1.00 0.00 N ATOM 0 H HIS A 48 4.453 -3.516 -6.693 1.00 0.00 H new ATOM 0 HA HIS A 48 6.582 -3.452 -8.662 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.864 -5.619 -7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.997 -5.960 -8.701 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.994 -5.355 -4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.044 -5.701 -6.102 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.468 -5.593 -4.105 1.00 0.00 H new ATOM 699 N LYS A 49 3.435 -3.920 -9.486 1.00 0.00 N ATOM 700 CA LYS A 49 2.505 -3.951 -10.609 1.00 0.00 C ATOM 701 C LYS A 49 2.728 -2.759 -11.534 1.00 0.00 C ATOM 702 O LYS A 49 3.204 -2.914 -12.659 1.00 0.00 O ATOM 703 CB LYS A 49 1.061 -3.954 -10.102 1.00 0.00 C ATOM 704 CG LYS A 49 0.067 -4.522 -11.100 1.00 0.00 C ATOM 705 CD LYS A 49 -0.388 -3.468 -12.096 1.00 0.00 C ATOM 706 CE LYS A 49 -1.285 -4.065 -13.169 1.00 0.00 C ATOM 707 NZ LYS A 49 -0.505 -4.823 -14.185 1.00 0.00 N ATOM 0 H LYS A 49 2.988 -3.914 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 49 2.687 -4.865 -11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.010 -4.534 -9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.770 -2.933 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.523 -5.356 -11.634 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.798 -4.918 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.924 -2.677 -11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.483 -3.007 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.016 -4.727 -12.704 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.843 -3.268 -13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.152 -5.214 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.175 -4.186 -14.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.008 -5.599 -13.721 1.00 0.00 H new ATOM 721 N HIS A 50 2.382 -1.569 -11.052 1.00 0.00 N ATOM 722 CA HIS A 50 2.547 -0.350 -11.835 1.00 0.00 C ATOM 723 C HIS A 50 3.967 0.193 -11.704 1.00 0.00 C ATOM 724 O HIS A 50 4.223 1.364 -11.979 1.00 0.00 O ATOM 725 CB HIS A 50 1.540 0.710 -11.386 1.00 0.00 C ATOM 726 CG HIS A 50 0.115 0.331 -11.648 1.00 0.00 C ATOM 727 ND1 HIS A 50 -0.470 0.421 -12.893 1.00 0.00 N ATOM 728 CD2 HIS A 50 -0.842 -0.142 -10.817 1.00 0.00 C ATOM 729 CE1 HIS A 50 -1.727 0.020 -12.816 1.00 0.00 C ATOM 730 NE2 HIS A 50 -1.978 -0.326 -11.567 1.00 0.00 N ATOM 0 H HIS A 50 1.986 -1.423 -10.123 1.00 0.00 H new ATOM 0 HA HIS A 50 2.365 -0.593 -12.882 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.669 0.893 -10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.758 1.647 -11.898 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.005 0.746 -13.741 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.733 -0.338 -9.761 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.429 -0.018 -13.636 1.00 0.00 H new ATOM 738 N GLY A 51 4.888 -0.669 -11.281 1.00 0.00 N ATOM 739 CA GLY A 51 6.270 -0.257 -11.120 1.00 0.00 C ATOM 740 C GLY A 51 6.396 1.134 -10.532 1.00 0.00 C ATOM 741 O GLY A 51 7.262 1.911 -10.936 1.00 0.00 O ATOM 0 H GLY A 51 4.701 -1.644 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.785 -0.969 -10.475 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.769 -0.285 -12.088 1.00 0.00 H new ATOM 745 N LEU A 52 5.529 1.451 -9.576 1.00 0.00 N ATOM 746 CA LEU A 52 5.546 2.760 -8.932 1.00 0.00 C ATOM 747 C LEU A 52 6.956 3.128 -8.483 1.00 0.00 C ATOM 748 O LEU A 52 7.796 2.255 -8.265 1.00 0.00 O ATOM 749 CB LEU A 52 4.597 2.772 -7.732 1.00 0.00 C ATOM 750 CG LEU A 52 3.137 2.424 -8.027 1.00 0.00 C ATOM 751 CD1 LEU A 52 2.389 2.124 -6.738 1.00 0.00 C ATOM 752 CD2 LEU A 52 2.463 3.557 -8.787 1.00 0.00 C ATOM 0 H LEU A 52 4.806 0.820 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 52 5.212 3.500 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.974 2.069 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.629 3.763 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 52 3.114 1.531 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.352 1.879 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.858 1.280 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.419 2.998 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.425 3.293 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.496 4.467 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.985 3.724 -9.729 1.00 0.00 H new ATOM 764 N GLU A 53 7.208 4.426 -8.344 1.00 0.00 N ATOM 765 CA GLU A 53 8.517 4.909 -7.919 1.00 0.00 C ATOM 766 C GLU A 53 8.386 5.875 -6.746 1.00 0.00 C ATOM 767 O GLU A 53 7.296 6.070 -6.206 1.00 0.00 O ATOM 768 CB GLU A 53 9.234 5.597 -9.083 1.00 0.00 C ATOM 769 CG GLU A 53 8.300 6.359 -10.008 1.00 0.00 C ATOM 770 CD GLU A 53 8.106 7.801 -9.582 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.884 8.279 -8.730 1.00 0.00 O ATOM 772 OE2 GLU A 53 7.176 8.453 -10.102 1.00 0.00 O ATOM 0 H GLU A 53 6.523 5.162 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 53 9.105 4.050 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.978 6.286 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.772 4.846 -9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.699 6.334 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.332 5.858 -10.034 1.00 0.00 H new ATOM 779 N PHE A 54 9.504 6.477 -6.354 1.00 0.00 N ATOM 780 CA PHE A 54 9.516 7.422 -5.244 1.00 0.00 C ATOM 781 C PHE A 54 8.207 8.203 -5.181 1.00 0.00 C ATOM 782 O PHE A 54 7.467 8.119 -4.201 1.00 0.00 O ATOM 783 CB PHE A 54 10.694 8.388 -5.381 1.00 0.00 C ATOM 784 CG PHE A 54 10.509 9.671 -4.622 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.061 9.657 -3.311 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.782 10.890 -5.221 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.889 10.836 -2.610 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.613 12.072 -4.524 1.00 0.00 C ATOM 789 CZ PHE A 54 10.165 12.045 -3.218 1.00 0.00 C ATOM 0 H PHE A 54 10.414 6.327 -6.789 1.00 0.00 H new ATOM 0 HA PHE A 54 9.626 6.856 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.600 7.895 -5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.844 8.618 -6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.844 8.714 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.130 10.917 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.539 10.812 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.831 13.016 -5.001 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.031 12.968 -2.673 1.00 0.00 H new ATOM 799 N TYR A 55 7.929 8.964 -6.234 1.00 0.00 N ATOM 800 CA TYR A 55 6.711 9.764 -6.298 1.00 0.00 C ATOM 801 C TYR A 55 5.495 8.884 -6.570 1.00 0.00 C ATOM 802 O TYR A 55 4.510 8.922 -5.834 1.00 0.00 O ATOM 803 CB TYR A 55 6.835 10.832 -7.386 1.00 0.00 C ATOM 804 CG TYR A 55 7.467 12.118 -6.903 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.895 12.851 -5.871 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.636 12.599 -7.479 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.469 14.027 -5.427 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.218 13.773 -7.041 1.00 0.00 C ATOM 809 CZ TYR A 55 8.630 14.484 -6.015 1.00 0.00 C ATOM 810 OH TYR A 55 9.205 15.654 -5.575 1.00 0.00 O ATOM 0 H TYR A 55 8.530 9.044 -7.054 1.00 0.00 H new ATOM 0 HA TYR A 55 6.575 10.252 -5.333 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.427 10.433 -8.209 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.844 11.051 -7.783 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.986 12.496 -5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.098 12.046 -8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.011 14.585 -4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.128 14.132 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 55 10.017 15.834 -6.093 1.00 0.00 H new ATOM 820 N GLY A 56 5.572 8.090 -7.634 1.00 0.00 N ATOM 821 CA GLY A 56 4.473 7.211 -7.985 1.00 0.00 C ATOM 822 C GLY A 56 3.792 6.619 -6.767 1.00 0.00 C ATOM 823 O GLY A 56 2.579 6.746 -6.602 1.00 0.00 O ATOM 0 H GLY A 56 6.377 8.040 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.742 7.766 -8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.844 6.405 -8.617 1.00 0.00 H new ATOM 827 N TYR A 57 4.574 5.968 -5.913 1.00 0.00 N ATOM 828 CA TYR A 57 4.039 5.350 -4.705 1.00 0.00 C ATOM 829 C TYR A 57 3.267 6.366 -3.870 1.00 0.00 C ATOM 830 O TYR A 57 2.183 6.074 -3.364 1.00 0.00 O ATOM 831 CB TYR A 57 5.171 4.744 -3.873 1.00 0.00 C ATOM 832 CG TYR A 57 4.777 4.443 -2.445 1.00 0.00 C ATOM 833 CD1 TYR A 57 4.111 3.267 -2.120 1.00 0.00 C ATOM 834 CD2 TYR A 57 5.070 5.333 -1.420 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.749 2.988 -0.817 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.714 5.062 -0.113 1.00 0.00 C ATOM 837 CZ TYR A 57 4.053 3.888 0.183 1.00 0.00 C ATOM 838 OH TYR A 57 3.695 3.614 1.483 1.00 0.00 O ATOM 0 H TYR A 57 5.580 5.854 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 57 3.353 4.558 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.509 3.824 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.017 5.431 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.873 2.559 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.586 6.254 -1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.231 2.070 -0.582 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.952 5.765 0.672 1.00 0.00 H new ATOM 0 HH TYR A 57 3.436 4.445 1.933 1.00 0.00 H new ATOM 848 N ILE A 58 3.832 7.560 -3.730 1.00 0.00 N ATOM 849 CA ILE A 58 3.197 8.621 -2.958 1.00 0.00 C ATOM 850 C ILE A 58 1.796 8.919 -3.483 1.00 0.00 C ATOM 851 O ILE A 58 0.843 9.032 -2.711 1.00 0.00 O ATOM 852 CB ILE A 58 4.030 9.915 -2.988 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.437 9.655 -2.446 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.341 11.007 -2.184 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.417 10.765 -2.751 1.00 0.00 C ATOM 0 H ILE A 58 4.729 7.817 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 58 3.130 8.266 -1.930 1.00 0.00 H new ATOM 0 HB ILE A 58 4.115 10.250 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.382 9.517 -1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.813 8.723 -2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.942 11.916 -2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.358 11.208 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.228 10.681 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.393 10.513 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.502 10.889 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.063 11.695 -2.306 1.00 0.00 H new ATOM 867 N LYS A 59 1.678 9.043 -4.800 1.00 0.00 N ATOM 868 CA LYS A 59 0.393 9.325 -5.430 1.00 0.00 C ATOM 869 C LYS A 59 -0.603 8.202 -5.160 1.00 0.00 C ATOM 870 O LYS A 59 -1.789 8.450 -4.939 1.00 0.00 O ATOM 871 CB LYS A 59 0.572 9.511 -6.939 1.00 0.00 C ATOM 872 CG LYS A 59 1.514 10.645 -7.305 1.00 0.00 C ATOM 873 CD LYS A 59 1.518 10.905 -8.802 1.00 0.00 C ATOM 874 CE LYS A 59 2.812 11.569 -9.248 1.00 0.00 C ATOM 875 NZ LYS A 59 2.965 11.545 -10.729 1.00 0.00 N ATOM 0 H LYS A 59 2.457 8.953 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.000 10.246 -5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.950 8.583 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.402 9.698 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.216 11.551 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.524 10.402 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.388 9.964 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.672 11.541 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.830 12.601 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.659 11.061 -8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.859 12.007 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.973 10.560 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.170 12.052 -11.168 1.00 0.00 H new ATOM 889 N LEU A 60 -0.115 6.967 -5.179 1.00 0.00 N ATOM 890 CA LEU A 60 -0.962 5.805 -4.934 1.00 0.00 C ATOM 891 C LEU A 60 -1.676 5.925 -3.591 1.00 0.00 C ATOM 892 O LEU A 60 -2.869 5.637 -3.484 1.00 0.00 O ATOM 893 CB LEU A 60 -0.128 4.524 -4.968 1.00 0.00 C ATOM 894 CG LEU A 60 -0.894 3.218 -4.756 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.164 2.991 -3.277 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.197 3.230 -5.542 1.00 0.00 C ATOM 0 H LEU A 60 0.863 6.744 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.714 5.762 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.381 4.471 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.645 4.597 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.279 2.396 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.710 2.057 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.218 2.937 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.758 3.816 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.729 2.293 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.817 4.062 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.980 3.344 -6.604 1.00 0.00 H new ATOM 908 N ILE A 61 -0.940 6.354 -2.572 1.00 0.00 N ATOM 909 CA ILE A 61 -1.504 6.515 -1.238 1.00 0.00 C ATOM 910 C ILE A 61 -2.536 7.636 -1.209 1.00 0.00 C ATOM 911 O ILE A 61 -3.721 7.397 -0.978 1.00 0.00 O ATOM 912 CB ILE A 61 -0.409 6.813 -0.196 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.620 5.681 -0.167 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.027 7.010 1.180 1.00 0.00 C ATOM 915 CD1 ILE A 61 0.025 4.332 0.168 1.00 0.00 C ATOM 0 H ILE A 61 0.048 6.596 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.989 5.572 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 61 0.100 7.734 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.110 5.622 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.391 5.921 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.241 7.220 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.725 7.847 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.559 6.105 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.812 3.578 0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.441 4.374 1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.726 4.070 -0.577 1.00 0.00 H new ATOM 927 N ASN A 62 -2.079 8.861 -1.447 1.00 0.00 N ATOM 928 CA ASN A 62 -2.963 10.021 -1.450 1.00 0.00 C ATOM 929 C ASN A 62 -4.197 9.762 -2.309 1.00 0.00 C ATOM 930 O ASN A 62 -5.304 10.179 -1.967 1.00 0.00 O ATOM 931 CB ASN A 62 -2.219 11.254 -1.965 1.00 0.00 C ATOM 932 CG ASN A 62 -1.087 11.672 -1.047 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.267 11.787 0.166 1.00 0.00 O ATOM 934 ND2 ASN A 62 0.087 11.902 -1.622 1.00 0.00 N ATOM 0 H ASN A 62 -1.101 9.076 -1.640 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.287 10.202 -0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.820 11.046 -2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.921 12.081 -2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.886 12.186 -1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.191 11.794 -2.631 1.00 0.00 H new ATOM 941 N PHE A 63 -3.999 9.070 -3.426 1.00 0.00 N ATOM 942 CA PHE A 63 -5.095 8.755 -4.335 1.00 0.00 C ATOM 943 C PHE A 63 -6.273 8.149 -3.577 1.00 0.00 C ATOM 944 O PHE A 63 -7.408 8.607 -3.706 1.00 0.00 O ATOM 945 CB PHE A 63 -4.622 7.787 -5.422 1.00 0.00 C ATOM 946 CG PHE A 63 -5.731 6.975 -6.026 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.553 7.518 -7.001 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.953 5.670 -5.619 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.575 6.773 -7.559 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.973 4.920 -6.174 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.786 5.473 -7.144 1.00 0.00 C ATOM 0 H PHE A 63 -3.090 8.717 -3.724 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.424 9.683 -4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.126 8.353 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.878 7.112 -4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.393 8.535 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.322 5.233 -4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.208 7.207 -8.319 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.134 3.903 -5.849 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.585 4.890 -7.577 1.00 0.00 H new ATOM 961 N ILE A 64 -5.993 7.117 -2.788 1.00 0.00 N ATOM 962 CA ILE A 64 -7.029 6.449 -2.010 1.00 0.00 C ATOM 963 C ILE A 64 -7.582 7.370 -0.927 1.00 0.00 C ATOM 964 O ILE A 64 -8.721 7.213 -0.488 1.00 0.00 O ATOM 965 CB ILE A 64 -6.496 5.163 -1.352 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.825 4.270 -2.397 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.626 4.417 -0.657 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.306 2.965 -1.833 1.00 0.00 C ATOM 0 H ILE A 64 -5.058 6.726 -2.671 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.828 6.188 -2.704 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.752 5.436 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.539 4.055 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.997 4.815 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.234 3.510 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.064 5.054 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.390 4.152 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.843 2.383 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.567 3.172 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.133 2.399 -1.404 1.00 0.00 H new ATOM 980 N ARG A 65 -6.768 8.330 -0.502 1.00 0.00 N ATOM 981 CA ARG A 65 -7.176 9.277 0.529 1.00 0.00 C ATOM 982 C ARG A 65 -8.186 10.278 -0.021 1.00 0.00 C ATOM 983 O ARG A 65 -9.124 10.676 0.672 1.00 0.00 O ATOM 984 CB ARG A 65 -5.957 10.017 1.083 1.00 0.00 C ATOM 985 CG ARG A 65 -4.861 9.094 1.588 1.00 0.00 C ATOM 986 CD ARG A 65 -5.273 8.391 2.872 1.00 0.00 C ATOM 987 NE ARG A 65 -4.122 8.057 3.707 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.223 7.584 4.944 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.417 7.390 5.487 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.129 7.304 5.641 1.00 0.00 N ATOM 0 H ARG A 65 -5.822 8.473 -0.855 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.649 8.716 1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.548 10.660 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.277 10.667 1.898 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.628 8.352 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.951 9.669 1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.954 9.031 3.433 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.820 7.480 2.627 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.189 8.195 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.260 7.604 4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.492 7.027 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.209 7.452 5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.208 6.941 6.591 1.00 0.00 H new ATOM 1004 N LEU A 66 -7.989 10.683 -1.271 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.883 11.639 -1.916 1.00 0.00 C ATOM 1006 C LEU A 66 -10.059 10.926 -2.575 1.00 0.00 C ATOM 1007 O LEU A 66 -11.219 11.219 -2.285 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.120 12.459 -2.957 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.784 13.761 -3.405 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.734 14.796 -3.776 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.721 13.506 -4.577 1.00 0.00 C ATOM 0 H LEU A 66 -7.218 10.364 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.272 12.309 -1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.136 12.697 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.961 11.835 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.371 14.151 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.226 15.716 -4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.103 15.001 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.119 14.414 -4.591 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.185 14.444 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.155 13.092 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.495 12.799 -4.277 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.752 9.987 -3.463 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.782 9.228 -4.162 1.00 0.00 C ATOM 1025 C LYS A 67 -11.589 8.377 -3.186 1.00 0.00 C ATOM 1026 O LYS A 67 -12.810 8.498 -3.106 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.149 8.334 -5.231 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.828 9.066 -6.523 1.00 0.00 C ATOM 1029 CD LYS A 67 -11.025 9.095 -7.460 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.668 9.719 -8.800 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.786 9.610 -9.778 1.00 0.00 N ATOM 0 H LYS A 67 -8.797 9.733 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.457 9.937 -4.642 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.233 7.898 -4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.826 7.508 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.517 10.086 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.988 8.579 -7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.391 8.080 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.836 9.659 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.413 10.769 -8.655 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.782 9.229 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.503 10.047 -10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.013 8.607 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.624 10.100 -9.404 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.896 7.519 -2.445 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.548 6.649 -1.472 1.00 0.00 C ATOM 1047 C ASN A 68 -12.300 5.520 -2.171 1.00 0.00 C ATOM 1048 O ASN A 68 -13.445 5.208 -1.845 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.513 7.456 -0.601 1.00 0.00 C ATOM 1050 CG ASN A 68 -12.679 6.859 0.783 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -13.756 6.378 1.138 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.612 6.888 1.572 1.00 0.00 N ATOM 0 H ASN A 68 -9.884 7.407 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.777 6.211 -0.838 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.148 8.479 -0.511 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.485 7.506 -1.091 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.664 6.502 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.740 7.297 1.236 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.641 4.891 -3.156 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.226 3.786 -3.920 1.00 0.00 C ATOM 1061 C PRO A 69 -12.382 2.521 -3.084 1.00 0.00 C ATOM 1062 O PRO A 69 -12.211 2.544 -1.864 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.216 3.560 -5.048 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.923 4.063 -4.505 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.273 5.210 -3.598 1.00 0.00 C ATOM 0 HA PRO A 69 -13.231 4.021 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.150 2.505 -5.315 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.503 4.100 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.398 3.279 -3.959 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.262 4.388 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.585 5.281 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.233 6.164 -4.123 1.00 0.00 H new ATOM 1073 N THR A 70 -12.707 1.415 -3.746 1.00 0.00 N ATOM 1074 CA THR A 70 -12.886 0.139 -3.064 1.00 0.00 C ATOM 1075 C THR A 70 -11.871 -0.890 -3.547 1.00 0.00 C ATOM 1076 O THR A 70 -11.392 -0.821 -4.678 1.00 0.00 O ATOM 1077 CB THR A 70 -14.307 -0.417 -3.277 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.513 -1.565 -2.447 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.527 -0.793 -4.734 1.00 0.00 C ATOM 0 H THR A 70 -12.852 1.377 -4.755 1.00 0.00 H new ATOM 0 HA THR A 70 -12.732 0.324 -2.001 1.00 0.00 H new ATOM 0 HB THR A 70 -15.022 0.360 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.419 -1.911 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.537 -1.183 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.398 0.089 -5.361 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.804 -1.555 -5.026 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.548 -1.847 -2.682 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.591 -2.893 -3.021 1.00 0.00 C ATOM 1089 C VAL A 71 -10.821 -3.410 -4.437 1.00 0.00 C ATOM 1090 O VAL A 71 -9.953 -3.288 -5.301 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.676 -4.073 -2.035 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.759 -5.204 -2.475 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.333 -3.615 -0.626 1.00 0.00 C ATOM 0 H VAL A 71 -11.935 -1.919 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.599 -2.447 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.699 -4.448 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.833 -6.029 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.056 -5.549 -3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.730 -4.846 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.398 -4.461 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.320 -3.213 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.035 -2.842 -0.314 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.996 -3.987 -4.667 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.340 -4.523 -5.978 1.00 0.00 C ATOM 1105 C GLU A 72 -11.774 -3.644 -7.090 1.00 0.00 C ATOM 1106 O GLU A 72 -11.240 -4.144 -8.081 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.859 -4.636 -6.126 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.301 -5.802 -6.993 1.00 0.00 C ATOM 1109 CD GLU A 72 -14.460 -5.417 -8.451 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -15.559 -4.957 -8.826 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -13.487 -5.576 -9.218 1.00 0.00 O ATOM 0 H GLU A 72 -12.726 -4.095 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.899 -5.516 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.305 -4.740 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.244 -3.710 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.571 -6.608 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.248 -6.190 -6.618 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.895 -2.332 -6.919 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.399 -1.383 -7.909 1.00 0.00 C ATOM 1120 C TYR A 73 -9.874 -1.335 -7.901 1.00 0.00 C ATOM 1121 O TYR A 73 -9.238 -1.304 -8.954 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.966 0.011 -7.638 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.350 1.092 -8.497 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.147 1.689 -8.139 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -11.971 1.519 -9.664 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -9.580 2.678 -8.920 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -11.411 2.506 -10.452 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.216 3.082 -10.075 1.00 0.00 C ATOM 1129 OH TYR A 73 -9.655 4.067 -10.856 1.00 0.00 O ATOM 0 H TYR A 73 -12.332 -1.902 -6.104 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.729 -1.717 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.043 -0.005 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.810 0.260 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.647 1.375 -7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.908 1.071 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.645 3.132 -8.628 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.906 2.824 -11.358 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.228 4.234 -11.634 1.00 0.00 H new ATOM 1139 N MET A 74 -9.296 -1.329 -6.705 1.00 0.00 N ATOM 1140 CA MET A 74 -7.845 -1.287 -6.558 1.00 0.00 C ATOM 1141 C MET A 74 -7.189 -2.442 -7.307 1.00 0.00 C ATOM 1142 O MET A 74 -6.033 -2.350 -7.719 1.00 0.00 O ATOM 1143 CB MET A 74 -7.459 -1.338 -5.079 1.00 0.00 C ATOM 1144 CG MET A 74 -7.784 -0.061 -4.321 1.00 0.00 C ATOM 1145 SD MET A 74 -7.097 1.408 -5.109 1.00 0.00 S ATOM 1146 CE MET A 74 -5.342 1.095 -4.936 1.00 0.00 C ATOM 0 H MET A 74 -9.809 -1.353 -5.824 1.00 0.00 H new ATOM 0 HA MET A 74 -7.489 -0.350 -6.987 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.976 -2.173 -4.606 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.390 -1.537 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.866 0.045 -4.243 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.397 -0.138 -3.305 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.821 2.035 -4.754 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.174 0.419 -4.098 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.962 0.640 -5.851 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.934 -3.529 -7.480 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.424 -4.703 -8.179 1.00 0.00 C ATOM 1158 C ASN A 75 -7.592 -4.553 -9.688 1.00 0.00 C ATOM 1159 O ASN A 75 -6.845 -5.145 -10.468 1.00 0.00 O ATOM 1160 CB ASN A 75 -8.145 -5.963 -7.697 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.579 -6.490 -6.393 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -6.415 -6.255 -6.068 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.402 -7.208 -5.638 1.00 0.00 N ATOM 0 H ASN A 75 -8.893 -3.621 -7.146 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.361 -4.794 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.205 -5.745 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.070 -6.736 -8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.077 -7.589 -4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.359 -7.378 -5.946 1.00 0.00 H new ATOM 1170 N SER A 76 -8.577 -3.757 -10.092 1.00 0.00 N ATOM 1171 CA SER A 76 -8.845 -3.532 -11.508 1.00 0.00 C ATOM 1172 C SER A 76 -8.396 -2.137 -11.931 1.00 0.00 C ATOM 1173 O SER A 76 -9.208 -1.218 -12.043 1.00 0.00 O ATOM 1174 CB SER A 76 -10.337 -3.710 -11.800 1.00 0.00 C ATOM 1175 OG SER A 76 -11.125 -2.917 -10.930 1.00 0.00 O ATOM 0 H SER A 76 -9.202 -3.257 -9.460 1.00 0.00 H new ATOM 0 HA SER A 76 -8.279 -4.266 -12.081 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.544 -3.435 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.610 -4.759 -11.688 1.00 0.00 H new ATOM 0 HG SER A 76 -10.808 -1.990 -10.955 1.00 0.00 H new ATOM 1181 N ILE A 77 -7.096 -1.986 -12.163 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.538 -0.704 -12.575 1.00 0.00 C ATOM 1183 C ILE A 77 -5.707 -0.849 -13.845 1.00 0.00 C ATOM 1184 O ILE A 77 -5.311 -1.953 -14.219 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.659 -0.092 -11.468 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.490 0.160 -10.208 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.019 1.200 -11.954 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -5.688 0.728 -9.058 1.00 0.00 C ATOM 0 H ILE A 77 -6.410 -2.735 -12.073 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.381 -0.040 -12.769 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.866 -0.798 -11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.301 0.847 -10.449 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -6.949 -0.777 -9.892 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.401 1.621 -11.161 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.399 0.993 -12.826 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.798 1.913 -12.224 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -6.342 0.881 -8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.893 0.032 -8.790 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -5.251 1.681 -9.355 1.00 0.00 H new ATOM 1200 N TYR A 78 -5.446 0.274 -14.505 1.00 0.00 N ATOM 1201 CA TYR A 78 -4.663 0.273 -15.735 1.00 0.00 C ATOM 1202 C TYR A 78 -4.084 1.657 -16.014 1.00 0.00 C ATOM 1203 O TYR A 78 -4.569 2.661 -15.494 1.00 0.00 O ATOM 1204 CB TYR A 78 -5.527 -0.177 -16.914 1.00 0.00 C ATOM 1205 CG TYR A 78 -6.562 0.843 -17.331 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.742 0.998 -16.614 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.359 1.653 -18.442 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.691 1.928 -16.992 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.302 2.587 -18.826 1.00 0.00 C ATOM 1210 CZ TYR A 78 -8.466 2.721 -18.099 1.00 0.00 C ATOM 1211 OH TYR A 78 -9.408 3.649 -18.477 1.00 0.00 O ATOM 0 H TYR A 78 -5.765 1.196 -14.209 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.838 -0.428 -15.609 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.881 -0.395 -17.764 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.031 -1.107 -16.650 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -7.920 0.381 -15.746 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.449 1.551 -19.015 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -9.604 2.034 -16.425 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.128 3.209 -19.691 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.096 4.125 -19.275 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.044 1.701 -16.839 1.00 0.00 N ATOM 1222 CA ASN A 79 -2.397 2.961 -17.188 1.00 0.00 C ATOM 1223 C ASN A 79 -3.136 3.653 -18.330 1.00 0.00 C ATOM 1224 O ASN A 79 -3.645 3.014 -19.251 1.00 0.00 O ATOM 1225 CB ASN A 79 -0.939 2.719 -17.582 1.00 0.00 C ATOM 1226 CG ASN A 79 -0.144 2.055 -16.474 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -0.257 0.849 -16.251 1.00 0.00 O ATOM 1228 ND2 ASN A 79 0.665 2.841 -15.773 1.00 0.00 N ATOM 0 H ASN A 79 -2.631 0.879 -17.279 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.426 3.610 -16.313 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.905 2.094 -18.474 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.473 3.670 -17.841 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.225 2.451 -15.015 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.727 3.835 -15.993 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.195 4.992 -18.271 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.592 5.764 -17.181 1.00 0.00 C ATOM 1237 C PRO A 80 -3.331 5.575 -15.860 1.00 0.00 C ATOM 1238 O PRO A 80 -4.556 5.683 -15.802 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.715 7.212 -17.661 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.872 7.203 -18.599 1.00 0.00 C ATOM 1241 CD PRO A 80 -3.855 5.855 -19.265 1.00 0.00 C ATOM 0 HA PRO A 80 -1.567 5.454 -16.980 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.887 7.892 -16.827 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.804 7.543 -18.159 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.809 7.362 -18.065 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.784 8.003 -19.334 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.862 5.507 -19.494 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.305 5.878 -20.206 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.579 5.294 -14.801 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.163 5.092 -13.480 1.00 0.00 C ATOM 1251 C VAL A 81 -4.027 6.281 -13.074 1.00 0.00 C ATOM 1252 O VAL A 81 -3.797 7.417 -13.489 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.074 4.874 -12.413 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.001 3.927 -12.929 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.466 6.204 -11.993 1.00 0.00 C ATOM 0 H VAL A 81 -1.564 5.201 -14.832 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.785 4.199 -13.541 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.535 4.418 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.241 3.786 -12.161 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.452 2.966 -13.175 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.541 4.350 -13.822 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.698 6.031 -11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.019 6.690 -12.860 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.244 6.845 -11.579 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.045 6.015 -12.243 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.964 7.050 -11.761 1.00 0.00 C ATOM 1267 C PRO A 82 -5.293 8.014 -10.788 1.00 0.00 C ATOM 1268 O PRO A 82 -5.897 8.997 -10.358 1.00 0.00 O ATOM 1269 CB PRO A 82 -7.059 6.250 -11.051 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.395 4.980 -10.642 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.377 4.684 -11.709 1.00 0.00 C ATOM 0 HA PRO A 82 -6.333 7.677 -12.573 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.447 6.790 -10.187 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.903 6.060 -11.714 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.919 5.085 -9.667 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.120 4.170 -10.558 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.499 4.185 -11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.783 4.031 -12.482 1.00 0.00 H new ATOM 1279 N TRP A 83 -4.042 7.727 -10.446 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.289 8.569 -9.524 1.00 0.00 C ATOM 1281 C TRP A 83 -2.081 9.190 -10.217 1.00 0.00 C ATOM 1282 O TRP A 83 -1.099 9.548 -9.568 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.835 7.755 -8.312 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.864 6.666 -8.657 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.537 6.812 -8.941 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.147 5.266 -8.757 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.024 5.587 -9.211 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.943 4.622 -9.104 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.298 4.494 -8.585 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.861 3.244 -9.283 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.216 3.126 -8.763 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.004 2.512 -9.108 1.00 0.00 C ATOM 0 H TRP A 83 -3.528 6.918 -10.793 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.944 9.373 -9.188 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -2.375 8.425 -7.585 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.709 7.314 -7.832 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -0.006 7.752 -8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.001 5.423 -9.452 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.236 4.958 -8.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 0.072 2.769 -9.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.101 2.520 -8.634 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.972 1.440 -9.238 1.00 0.00 H new ATOM 1303 N GLU A 84 -2.161 9.314 -11.538 1.00 0.00 N ATOM 1304 CA GLU A 84 -1.072 9.891 -12.318 1.00 0.00 C ATOM 1305 C GLU A 84 -1.194 11.411 -12.381 1.00 0.00 C ATOM 1306 O GLU A 84 -0.750 12.042 -13.340 1.00 0.00 O ATOM 1307 CB GLU A 84 -1.064 9.310 -13.733 1.00 0.00 C ATOM 1308 CG GLU A 84 0.104 8.376 -14.001 1.00 0.00 C ATOM 1309 CD GLU A 84 0.340 8.146 -15.482 1.00 0.00 C ATOM 1310 OE1 GLU A 84 0.509 9.142 -16.216 1.00 0.00 O ATOM 1311 OE2 GLU A 84 0.355 6.972 -15.905 1.00 0.00 O ATOM 0 H GLU A 84 -2.968 9.023 -12.090 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.133 9.639 -11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.996 8.770 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.036 10.128 -14.453 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.007 8.792 -13.553 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.082 7.419 -13.514 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.800 11.993 -11.351 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.981 13.438 -11.287 1.00 0.00 C ATOM 1320 C LYS A 85 -0.904 14.084 -10.421 1.00 0.00 C ATOM 1321 O LYS A 85 -0.480 13.515 -9.414 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.366 13.775 -10.731 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.474 12.893 -11.282 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.674 13.114 -12.772 1.00 0.00 C ATOM 1325 CE LYS A 85 -5.734 12.182 -13.337 1.00 0.00 C ATOM 1326 NZ LYS A 85 -5.359 10.751 -13.172 1.00 0.00 N ATOM 0 H LYS A 85 -2.174 11.485 -10.549 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.895 13.834 -12.299 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.345 13.682 -9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.596 14.816 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.232 11.846 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.404 13.103 -10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.965 14.149 -12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.731 12.953 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.685 12.368 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.882 12.399 -14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.865 10.176 -13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.334 10.643 -13.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.616 10.433 -12.216 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.465 15.273 -10.819 1.00 0.00 N ATOM 1341 CA ASP A 86 0.561 15.997 -10.078 1.00 0.00 C ATOM 1342 C ASP A 86 0.033 16.450 -8.720 1.00 0.00 C ATOM 1343 O ASP A 86 0.758 16.440 -7.727 1.00 0.00 O ATOM 1344 CB ASP A 86 1.043 17.206 -10.881 1.00 0.00 C ATOM 1345 CG ASP A 86 1.564 16.820 -12.251 1.00 0.00 C ATOM 1346 OD1 ASP A 86 1.190 15.735 -12.745 1.00 0.00 O ATOM 1347 OD2 ASP A 86 2.346 17.603 -12.830 1.00 0.00 O ATOM 0 H ASP A 86 -0.804 15.756 -11.651 1.00 0.00 H new ATOM 0 HA ASP A 86 1.401 15.322 -9.914 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.222 17.914 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.830 17.716 -10.326 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.235 16.848 -8.687 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.859 17.307 -7.452 1.00 0.00 C ATOM 1354 C GLU A 87 -1.724 16.258 -6.352 1.00 0.00 C ATOM 1355 O GLU A 87 -1.473 16.588 -5.192 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.337 17.626 -7.688 1.00 0.00 C ATOM 1357 CG GLU A 87 -3.563 18.845 -8.566 1.00 0.00 C ATOM 1358 CD GLU A 87 -3.665 20.130 -7.767 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -4.774 20.442 -7.284 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -2.636 20.822 -7.624 1.00 0.00 O ATOM 0 H GLU A 87 -1.850 16.862 -9.501 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.346 18.214 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.817 16.763 -8.149 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.824 17.786 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.744 18.930 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.477 18.707 -9.144 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.891 14.995 -6.724 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.791 13.897 -5.769 1.00 0.00 C ATOM 1369 C TYR A 88 -0.471 13.957 -5.007 1.00 0.00 C ATOM 1370 O TYR A 88 -0.417 13.667 -3.811 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.917 12.554 -6.490 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.343 12.175 -6.822 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.331 12.189 -5.845 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.702 11.803 -8.111 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.635 11.844 -6.143 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -5.003 11.458 -8.419 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.966 11.479 -7.431 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.264 11.134 -7.733 1.00 0.00 O ATOM 0 H TYR A 88 -2.096 14.705 -7.680 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.607 13.995 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.336 12.590 -7.411 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.479 11.774 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.075 12.475 -4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.950 11.783 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.391 11.860 -5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.265 11.173 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.329 10.904 -8.683 1.00 0.00 H new ATOM 1388 N LEU A 89 0.592 14.335 -5.708 1.00 0.00 N ATOM 1389 CA LEU A 89 1.914 14.434 -5.099 1.00 0.00 C ATOM 1390 C LEU A 89 1.821 14.994 -3.683 1.00 0.00 C ATOM 1391 O LEU A 89 2.533 14.551 -2.781 1.00 0.00 O ATOM 1392 CB LEU A 89 2.824 15.321 -5.951 1.00 0.00 C ATOM 1393 CG LEU A 89 3.277 14.731 -7.287 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.675 15.837 -8.252 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.431 13.761 -7.079 1.00 0.00 C ATOM 0 H LEU A 89 0.565 14.578 -6.698 1.00 0.00 H new ATOM 0 HA LEU A 89 2.339 13.432 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.303 16.258 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.710 15.566 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 89 2.441 14.182 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.994 15.398 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.822 16.492 -8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.495 16.415 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.740 13.351 -8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.270 14.286 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.111 12.950 -6.425 1.00 0.00 H new ATOM 1407 N LYS A 90 0.937 15.968 -3.495 1.00 0.00 N ATOM 1408 CA LYS A 90 0.747 16.586 -2.188 1.00 0.00 C ATOM 1409 C LYS A 90 0.086 15.614 -1.216 1.00 0.00 C ATOM 1410 O LYS A 90 -0.842 14.884 -1.566 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.105 17.851 -2.319 1.00 0.00 C ATOM 1412 CG LYS A 90 0.683 19.072 -2.762 1.00 0.00 C ATOM 1413 CD LYS A 90 0.782 19.152 -4.276 1.00 0.00 C ATOM 1414 CE LYS A 90 0.980 20.585 -4.746 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.218 21.427 -4.480 1.00 0.00 N ATOM 0 H LYS A 90 0.341 16.346 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 90 1.728 16.854 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.906 17.667 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.577 18.062 -1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.204 19.974 -2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.684 19.036 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.613 18.537 -4.620 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.124 18.743 -4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.846 21.016 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.197 20.590 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.221 22.241 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.079 20.863 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.193 21.766 -3.497 1.00 0.00 H new ATOM 1429 N PRO A 91 0.573 15.602 0.033 1.00 0.00 N ATOM 1430 CA PRO A 91 0.042 14.725 1.081 1.00 0.00 C ATOM 1431 C PRO A 91 -1.359 15.133 1.525 1.00 0.00 C ATOM 1432 O PRO A 91 -1.532 16.130 2.227 1.00 0.00 O ATOM 1433 CB PRO A 91 1.039 14.900 2.229 1.00 0.00 C ATOM 1434 CG PRO A 91 1.636 16.247 2.010 1.00 0.00 C ATOM 1435 CD PRO A 91 1.678 16.445 0.520 1.00 0.00 C ATOM 0 HA PRO A 91 -0.058 13.695 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.542 14.840 3.197 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.802 14.122 2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.038 17.022 2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.636 16.305 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.535 17.491 0.249 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.635 16.135 0.100 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.355 14.357 1.112 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.741 14.638 1.469 1.00 0.00 C ATOM 1445 C VAL A 92 -3.877 14.925 2.960 1.00 0.00 C ATOM 1446 O VAL A 92 -4.684 15.760 3.372 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.665 13.463 1.097 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.106 13.777 1.471 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.548 13.143 -0.386 1.00 0.00 C ATOM 0 H VAL A 92 -2.229 13.529 0.530 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.041 15.520 0.904 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.352 12.584 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.744 12.935 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.173 13.953 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.435 14.668 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.207 12.311 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.834 14.017 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.518 12.872 -0.620 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.084 14.227 3.766 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.115 14.407 5.213 1.00 0.00 C ATOM 1461 C LEU A 93 -1.760 14.876 5.733 1.00 0.00 C ATOM 1462 O LEU A 93 -0.816 15.051 4.963 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.513 13.100 5.901 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.407 12.161 5.091 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.564 11.170 4.303 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.379 11.428 6.005 1.00 0.00 C ATOM 0 H LEU A 93 -2.412 13.531 3.442 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.856 15.172 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.604 12.562 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.025 13.344 6.832 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.984 12.759 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.217 10.510 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.909 11.711 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.961 10.578 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.007 10.764 5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.821 10.842 6.735 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.006 12.152 6.525 1.00 0.00 H new ATOM 1478 N GLU A 94 -1.671 15.076 7.044 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.430 15.523 7.666 1.00 0.00 C ATOM 1480 C GLU A 94 0.334 14.345 8.263 1.00 0.00 C ATOM 1481 O GLU A 94 -0.219 13.261 8.447 1.00 0.00 O ATOM 1482 CB GLU A 94 -0.723 16.559 8.753 1.00 0.00 C ATOM 1483 CG GLU A 94 0.349 17.627 8.881 1.00 0.00 C ATOM 1484 CD GLU A 94 0.079 18.834 8.004 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -1.095 19.049 7.636 1.00 0.00 O ATOM 1486 OE2 GLU A 94 1.041 19.563 7.686 1.00 0.00 O ATOM 0 H GLU A 94 -2.443 14.936 7.696 1.00 0.00 H new ATOM 0 HA GLU A 94 0.189 15.982 6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.678 17.039 8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.831 16.048 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.416 17.946 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.316 17.199 8.616 1.00 0.00 H new ATOM 1493 N ASP A 95 1.610 14.566 8.562 1.00 0.00 N ATOM 1494 CA ASP A 95 2.451 13.524 9.139 1.00 0.00 C ATOM 1495 C ASP A 95 2.095 12.158 8.562 1.00 0.00 C ATOM 1496 O ASP A 95 1.966 11.178 9.297 1.00 0.00 O ATOM 1497 CB ASP A 95 2.304 13.504 10.661 1.00 0.00 C ATOM 1498 CG ASP A 95 0.947 14.002 11.118 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.020 13.213 11.075 1.00 0.00 O ATOM 1500 OD2 ASP A 95 0.853 15.180 11.520 1.00 0.00 O ATOM 0 H ASP A 95 2.084 15.457 8.414 1.00 0.00 H new ATOM 0 HA ASP A 95 3.488 13.746 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.456 12.488 11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.084 14.122 11.107 1.00 0.00 H new ATOM 1505 N ASP A 96 1.937 12.100 7.245 1.00 0.00 N ATOM 1506 CA ASP A 96 1.596 10.853 6.569 1.00 0.00 C ATOM 1507 C ASP A 96 2.760 9.869 6.624 1.00 0.00 C ATOM 1508 O ASP A 96 3.731 9.996 5.876 1.00 0.00 O ATOM 1509 CB ASP A 96 1.210 11.125 5.115 1.00 0.00 C ATOM 1510 CG ASP A 96 0.309 10.048 4.544 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.599 8.853 4.763 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.687 10.400 3.878 1.00 0.00 O ATOM 0 H ASP A 96 2.040 12.902 6.623 1.00 0.00 H new ATOM 0 HA ASP A 96 0.745 10.410 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.705 12.089 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.114 11.197 4.510 1.00 0.00 H new ATOM 1517 N LEU A 97 2.658 8.889 7.515 1.00 0.00 N ATOM 1518 CA LEU A 97 3.704 7.883 7.669 1.00 0.00 C ATOM 1519 C LEU A 97 3.814 7.017 6.418 1.00 0.00 C ATOM 1520 O LEU A 97 4.913 6.651 5.998 1.00 0.00 O ATOM 1521 CB LEU A 97 3.417 7.004 8.887 1.00 0.00 C ATOM 1522 CG LEU A 97 3.156 7.742 10.201 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.694 6.771 11.276 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.404 8.486 10.652 1.00 0.00 C ATOM 0 H LEU A 97 1.862 8.769 8.142 1.00 0.00 H new ATOM 0 HA LEU A 97 4.653 8.399 7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.550 6.382 8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.263 6.332 9.033 1.00 0.00 H new ATOM 0 HG LEU A 97 2.363 8.471 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.513 7.314 12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.773 6.284 10.955 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.464 6.017 11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.200 9.005 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.217 7.776 10.801 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.691 9.211 9.890 1.00 0.00 H new ATOM 1536 N LEU A 98 2.670 6.694 5.825 1.00 0.00 N ATOM 1537 CA LEU A 98 2.638 5.873 4.620 1.00 0.00 C ATOM 1538 C LEU A 98 3.474 6.502 3.510 1.00 0.00 C ATOM 1539 O LEU A 98 4.027 5.800 2.662 1.00 0.00 O ATOM 1540 CB LEU A 98 1.196 5.686 4.144 1.00 0.00 C ATOM 1541 CG LEU A 98 0.218 5.118 5.173 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.130 4.834 4.529 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.784 3.856 5.807 1.00 0.00 C ATOM 0 H LEU A 98 1.752 6.988 6.159 1.00 0.00 H new ATOM 0 HA LEU A 98 3.063 4.899 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.818 6.651 3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.204 5.026 3.277 1.00 0.00 H new ATOM 0 HG LEU A 98 0.074 5.861 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.813 4.430 5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.541 5.758 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.003 4.109 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.075 3.466 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.959 3.107 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.725 4.090 6.305 1.00 0.00 H new ATOM 1555 N LEU A 99 3.564 7.827 3.523 1.00 0.00 N ATOM 1556 CA LEU A 99 4.335 8.551 2.518 1.00 0.00 C ATOM 1557 C LEU A 99 5.828 8.479 2.822 1.00 0.00 C ATOM 1558 O LEU A 99 6.640 8.229 1.931 1.00 0.00 O ATOM 1559 CB LEU A 99 3.885 10.012 2.457 1.00 0.00 C ATOM 1560 CG LEU A 99 2.734 10.321 1.499 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.499 9.517 1.874 1.00 0.00 C ATOM 1562 CD2 LEU A 99 2.424 11.810 1.501 1.00 0.00 C ATOM 0 H LEU A 99 3.113 8.422 4.218 1.00 0.00 H new ATOM 0 HA LEU A 99 4.157 8.082 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.590 10.322 3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.742 10.623 2.173 1.00 0.00 H new ATOM 0 HG LEU A 99 3.037 10.035 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.690 9.749 1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.728 8.453 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.193 9.772 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.602 12.012 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.141 12.121 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.307 12.366 1.184 1.00 0.00 H new ATOM 1574 N GLN A 100 6.181 8.697 4.084 1.00 0.00 N ATOM 1575 CA GLN A 100 7.577 8.655 4.505 1.00 0.00 C ATOM 1576 C GLN A 100 8.113 7.228 4.469 1.00 0.00 C ATOM 1577 O GLN A 100 9.325 7.009 4.465 1.00 0.00 O ATOM 1578 CB GLN A 100 7.725 9.233 5.913 1.00 0.00 C ATOM 1579 CG GLN A 100 7.438 8.228 7.017 1.00 0.00 C ATOM 1580 CD GLN A 100 7.734 8.777 8.398 1.00 0.00 C ATOM 1581 OE1 GLN A 100 7.207 9.819 8.791 1.00 0.00 O ATOM 1582 NE2 GLN A 100 8.581 8.078 9.145 1.00 0.00 N ATOM 0 H GLN A 100 5.520 8.904 4.833 1.00 0.00 H new ATOM 0 HA GLN A 100 8.159 9.260 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.739 9.615 6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.050 10.082 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 100 6.391 7.928 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.035 7.331 6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 100 8.995 7.220 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 100 8.818 8.399 10.084 1.00 0.00 H new ATOM 1591 N PHE A 101 7.203 6.260 4.444 1.00 0.00 N ATOM 1592 CA PHE A 101 7.585 4.853 4.410 1.00 0.00 C ATOM 1593 C PHE A 101 8.661 4.606 3.357 1.00 0.00 C ATOM 1594 O PHE A 101 8.460 4.877 2.173 1.00 0.00 O ATOM 1595 CB PHE A 101 6.364 3.978 4.122 1.00 0.00 C ATOM 1596 CG PHE A 101 6.712 2.560 3.768 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.871 1.604 4.758 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.881 2.184 2.445 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.191 0.298 4.435 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.200 0.880 2.116 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.357 -0.063 3.113 1.00 0.00 C ATOM 0 H PHE A 101 6.196 6.424 4.447 1.00 0.00 H new ATOM 0 HA PHE A 101 7.990 4.589 5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.714 3.976 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.796 4.419 3.303 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.744 1.882 5.794 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.762 2.918 1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.311 -0.438 5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.326 0.599 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.609 -1.082 2.858 1.00 0.00 H new ATOM 1611 N ASP A 102 9.805 4.092 3.797 1.00 0.00 N ATOM 1612 CA ASP A 102 10.913 3.809 2.893 1.00 0.00 C ATOM 1613 C ASP A 102 10.503 2.792 1.832 1.00 0.00 C ATOM 1614 O ASP A 102 10.800 1.603 1.950 1.00 0.00 O ATOM 1615 CB ASP A 102 12.118 3.288 3.678 1.00 0.00 C ATOM 1616 CG ASP A 102 12.453 4.161 4.871 1.00 0.00 C ATOM 1617 OD1 ASP A 102 11.844 3.960 5.942 1.00 0.00 O ATOM 1618 OD2 ASP A 102 13.325 5.045 4.734 1.00 0.00 O ATOM 0 H ASP A 102 9.989 3.863 4.774 1.00 0.00 H new ATOM 0 HA ASP A 102 11.188 4.738 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.914 2.273 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.983 3.234 3.017 1.00 0.00 H new ATOM 1623 N VAL A 103 9.818 3.267 0.797 1.00 0.00 N ATOM 1624 CA VAL A 103 9.367 2.400 -0.285 1.00 0.00 C ATOM 1625 C VAL A 103 10.549 1.809 -1.045 1.00 0.00 C ATOM 1626 O VAL A 103 10.426 0.770 -1.692 1.00 0.00 O ATOM 1627 CB VAL A 103 8.463 3.160 -1.273 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.256 4.231 -2.007 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.819 2.194 -2.257 1.00 0.00 C ATOM 0 H VAL A 103 9.563 4.248 0.685 1.00 0.00 H new ATOM 0 HA VAL A 103 8.794 1.594 0.173 1.00 0.00 H new ATOM 0 HB VAL A 103 7.670 3.651 -0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.601 4.758 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.665 4.939 -1.286 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.071 3.765 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.184 2.748 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.596 1.673 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.216 1.468 -1.712 1.00 0.00 H new ATOM 1639 N GLU A 104 11.694 2.478 -0.960 1.00 0.00 N ATOM 1640 CA GLU A 104 12.899 2.019 -1.640 1.00 0.00 C ATOM 1641 C GLU A 104 13.215 0.572 -1.270 1.00 0.00 C ATOM 1642 O GLU A 104 13.671 -0.208 -2.106 1.00 0.00 O ATOM 1643 CB GLU A 104 14.086 2.918 -1.287 1.00 0.00 C ATOM 1644 CG GLU A 104 14.049 4.272 -1.975 1.00 0.00 C ATOM 1645 CD GLU A 104 14.744 4.261 -3.323 1.00 0.00 C ATOM 1646 OE1 GLU A 104 15.947 3.928 -3.367 1.00 0.00 O ATOM 1647 OE2 GLU A 104 14.086 4.585 -4.333 1.00 0.00 O ATOM 0 H GLU A 104 11.813 3.340 -0.427 1.00 0.00 H new ATOM 0 HA GLU A 104 12.721 2.071 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.109 3.069 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.011 2.408 -1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.012 4.580 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.522 5.015 -1.333 1.00 0.00 H new ATOM 1654 N ASP A 105 12.969 0.223 -0.012 1.00 0.00 N ATOM 1655 CA ASP A 105 13.227 -1.129 0.470 1.00 0.00 C ATOM 1656 C ASP A 105 12.639 -2.167 -0.482 1.00 0.00 C ATOM 1657 O ASP A 105 13.205 -3.244 -0.669 1.00 0.00 O ATOM 1658 CB ASP A 105 12.640 -1.314 1.870 1.00 0.00 C ATOM 1659 CG ASP A 105 13.492 -0.667 2.945 1.00 0.00 C ATOM 1660 OD1 ASP A 105 14.535 -1.250 3.306 1.00 0.00 O ATOM 1661 OD2 ASP A 105 13.115 0.423 3.425 1.00 0.00 O ATOM 0 H ASP A 105 12.591 0.857 0.692 1.00 0.00 H new ATOM 0 HA ASP A 105 14.307 -1.273 0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.637 -0.888 1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.540 -2.379 2.081 1.00 0.00 H new ATOM 1666 N LEU A 106 11.500 -1.835 -1.080 1.00 0.00 N ATOM 1667 CA LEU A 106 10.835 -2.738 -2.013 1.00 0.00 C ATOM 1668 C LEU A 106 11.654 -2.904 -3.289 1.00 0.00 C ATOM 1669 O LEU A 106 11.685 -3.982 -3.883 1.00 0.00 O ATOM 1670 CB LEU A 106 9.439 -2.213 -2.354 1.00 0.00 C ATOM 1671 CG LEU A 106 8.520 -1.927 -1.166 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.132 -1.533 -1.646 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.445 -3.138 -0.247 1.00 0.00 C ATOM 0 H LEU A 106 11.018 -0.948 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 106 10.743 -3.713 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.549 -1.295 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.948 -2.940 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 106 8.936 -1.092 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.493 -1.333 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.201 -0.637 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.706 -2.346 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.787 -2.917 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.053 -3.991 -0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.442 -3.374 0.125 1.00 0.00 H new ATOM 1685 N TYR A 107 12.318 -1.831 -3.703 1.00 0.00 N ATOM 1686 CA TYR A 107 13.137 -1.858 -4.909 1.00 0.00 C ATOM 1687 C TYR A 107 14.397 -2.691 -4.693 1.00 0.00 C ATOM 1688 O TYR A 107 15.254 -2.341 -3.882 1.00 0.00 O ATOM 1689 CB TYR A 107 13.518 -0.435 -5.323 1.00 0.00 C ATOM 1690 CG TYR A 107 12.351 0.526 -5.333 1.00 0.00 C ATOM 1691 CD1 TYR A 107 11.060 0.079 -5.584 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.540 1.881 -5.091 1.00 0.00 C ATOM 1693 CE1 TYR A 107 9.990 0.953 -5.594 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.476 2.762 -5.097 1.00 0.00 C ATOM 1695 CZ TYR A 107 10.204 2.294 -5.350 1.00 0.00 C ATOM 1696 OH TYR A 107 9.142 3.169 -5.359 1.00 0.00 O ATOM 0 H TYR A 107 12.305 -0.932 -3.222 1.00 0.00 H new ATOM 0 HA TYR A 107 12.552 -2.317 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.281 -0.059 -4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.964 -0.462 -6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.890 -0.970 -5.775 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.535 2.252 -4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.993 0.589 -5.792 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.640 3.812 -4.904 1.00 0.00 H new ATOM 0 HH TYR A 107 9.411 4.014 -4.941 1.00 0.00 H new ATOM 1706 N GLU A 108 14.500 -3.796 -5.425 1.00 0.00 N ATOM 1707 CA GLU A 108 15.655 -4.680 -5.314 1.00 0.00 C ATOM 1708 C GLU A 108 16.683 -4.370 -6.398 1.00 0.00 C ATOM 1709 O GLU A 108 16.420 -4.498 -7.594 1.00 0.00 O ATOM 1710 CB GLU A 108 15.217 -6.142 -5.414 1.00 0.00 C ATOM 1711 CG GLU A 108 16.108 -7.099 -4.641 1.00 0.00 C ATOM 1712 CD GLU A 108 17.584 -6.819 -4.850 1.00 0.00 C ATOM 1713 OE1 GLU A 108 17.977 -6.544 -6.003 1.00 0.00 O ATOM 1714 OE2 GLU A 108 18.345 -6.875 -3.862 1.00 0.00 O ATOM 0 H GLU A 108 13.799 -4.100 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 108 16.117 -4.512 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.195 -6.232 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.205 -6.438 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 108 15.875 -7.028 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 108 15.889 -8.122 -4.948 1.00 0.00 H new ATOM 1721 N PRO A 109 17.884 -3.952 -5.971 1.00 0.00 N ATOM 1722 CA PRO A 109 18.977 -3.615 -6.888 1.00 0.00 C ATOM 1723 C PRO A 109 19.545 -4.844 -7.589 1.00 0.00 C ATOM 1724 O PRO A 109 20.211 -5.673 -6.968 1.00 0.00 O ATOM 1725 CB PRO A 109 20.030 -2.988 -5.971 1.00 0.00 C ATOM 1726 CG PRO A 109 19.756 -3.570 -4.627 1.00 0.00 C ATOM 1727 CD PRO A 109 18.268 -3.776 -4.560 1.00 0.00 C ATOM 0 HA PRO A 109 18.646 -2.957 -7.692 1.00 0.00 H new ATOM 0 HB2 PRO A 109 21.039 -3.225 -6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.946 -1.901 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 109 20.287 -4.513 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 109 20.093 -2.900 -3.836 1.00 0.00 H new ATOM 0 HD2 PRO A 109 18.010 -4.650 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.764 -2.921 -4.110 1.00 0.00 H new ATOM 1735 N VAL A 110 19.279 -4.956 -8.887 1.00 0.00 N ATOM 1736 CA VAL A 110 19.766 -6.084 -9.672 1.00 0.00 C ATOM 1737 C VAL A 110 20.983 -5.691 -10.502 1.00 0.00 C ATOM 1738 O VAL A 110 20.898 -5.556 -11.722 1.00 0.00 O ATOM 1739 CB VAL A 110 18.672 -6.627 -10.611 1.00 0.00 C ATOM 1740 CG1 VAL A 110 19.200 -7.799 -11.424 1.00 0.00 C ATOM 1741 CG2 VAL A 110 17.440 -7.031 -9.816 1.00 0.00 C ATOM 0 H VAL A 110 18.729 -4.280 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 110 20.048 -6.864 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 110 18.386 -5.835 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 110 18.413 -8.169 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 110 20.050 -7.473 -12.023 1.00 0.00 H new ATOM 0 HG13 VAL A 110 19.515 -8.596 -10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 110 16.678 -7.412 -10.495 1.00 0.00 H new ATOM 0 HG22 VAL A 110 17.708 -7.807 -9.099 1.00 0.00 H new ATOM 0 HG23 VAL A 110 17.050 -6.164 -9.283 1.00 0.00 H new ATOM 1751 N SER A 111 22.116 -5.510 -9.831 1.00 0.00 N ATOM 1752 CA SER A 111 23.352 -5.129 -10.505 1.00 0.00 C ATOM 1753 C SER A 111 24.532 -5.166 -9.539 1.00 0.00 C ATOM 1754 O SER A 111 24.589 -4.396 -8.579 1.00 0.00 O ATOM 1755 CB SER A 111 23.217 -3.730 -11.111 1.00 0.00 C ATOM 1756 OG SER A 111 24.453 -3.282 -11.639 1.00 0.00 O ATOM 0 H SER A 111 22.204 -5.621 -8.821 1.00 0.00 H new ATOM 0 HA SER A 111 23.537 -5.847 -11.304 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.464 -3.743 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 111 22.869 -3.032 -10.349 1.00 0.00 H new ATOM 0 HG SER A 111 24.340 -2.387 -12.022 1.00 0.00 H new ATOM 1762 N THR A 112 25.474 -6.067 -9.799 1.00 0.00 N ATOM 1763 CA THR A 112 26.653 -6.206 -8.953 1.00 0.00 C ATOM 1764 C THR A 112 27.860 -6.663 -9.764 1.00 0.00 C ATOM 1765 O THR A 112 27.896 -7.771 -10.299 1.00 0.00 O ATOM 1766 CB THR A 112 26.408 -7.208 -7.809 1.00 0.00 C ATOM 1767 OG1 THR A 112 25.609 -8.301 -8.278 1.00 0.00 O ATOM 1768 CG2 THR A 112 25.713 -6.532 -6.637 1.00 0.00 C ATOM 0 H THR A 112 25.443 -6.712 -10.589 1.00 0.00 H new ATOM 0 HA THR A 112 26.855 -5.223 -8.528 1.00 0.00 H new ATOM 0 HB THR A 112 27.374 -7.583 -7.471 1.00 0.00 H new ATOM 0 HG1 THR A 112 25.459 -8.935 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 112 25.551 -7.259 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 112 26.336 -5.719 -6.264 1.00 0.00 H new ATOM 0 HG23 THR A 112 24.753 -6.132 -6.964 1.00 0.00 H new ATOM 1776 N PRO A 113 28.875 -5.790 -9.859 1.00 0.00 N ATOM 1777 CA PRO A 113 30.104 -6.083 -10.602 1.00 0.00 C ATOM 1778 C PRO A 113 30.954 -7.148 -9.919 1.00 0.00 C ATOM 1779 O PRO A 113 31.952 -7.611 -10.473 1.00 0.00 O ATOM 1780 CB PRO A 113 30.838 -4.740 -10.616 1.00 0.00 C ATOM 1781 CG PRO A 113 30.330 -4.018 -9.416 1.00 0.00 C ATOM 1782 CD PRO A 113 28.900 -4.451 -9.247 1.00 0.00 C ATOM 0 HA PRO A 113 29.895 -6.481 -11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 113 31.918 -4.879 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 113 30.629 -4.184 -11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 113 30.920 -4.265 -8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 113 30.397 -2.939 -9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 113 28.611 -4.484 -8.196 1.00 0.00 H new ATOM 0 HD3 PRO A 113 28.212 -3.768 -9.745 1.00 0.00 H new ATOM 1790 N PHE A 114 30.554 -7.535 -8.712 1.00 0.00 N ATOM 1791 CA PHE A 114 31.280 -8.546 -7.953 1.00 0.00 C ATOM 1792 C PHE A 114 30.363 -9.233 -6.945 1.00 0.00 C ATOM 1793 O PHE A 114 29.396 -8.641 -6.466 1.00 0.00 O ATOM 1794 CB PHE A 114 32.470 -7.913 -7.228 1.00 0.00 C ATOM 1795 CG PHE A 114 33.503 -7.341 -8.157 1.00 0.00 C ATOM 1796 CD1 PHE A 114 34.422 -8.167 -8.783 1.00 0.00 C ATOM 1797 CD2 PHE A 114 33.554 -5.979 -8.403 1.00 0.00 C ATOM 1798 CE1 PHE A 114 35.374 -7.643 -9.638 1.00 0.00 C ATOM 1799 CE2 PHE A 114 34.503 -5.450 -9.257 1.00 0.00 C ATOM 1800 CZ PHE A 114 35.414 -6.283 -9.876 1.00 0.00 C ATOM 0 H PHE A 114 29.731 -7.163 -8.239 1.00 0.00 H new ATOM 0 HA PHE A 114 31.647 -9.296 -8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 114 32.106 -7.123 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 114 32.940 -8.664 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 114 34.395 -9.231 -8.601 1.00 0.00 H new ATOM 0 HD2 PHE A 114 32.844 -5.323 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 114 36.086 -8.297 -10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 114 34.532 -4.386 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 114 36.156 -5.872 -10.545 1.00 0.00 H new ATOM 1810 N SER A 115 30.675 -10.485 -6.628 1.00 0.00 N ATOM 1811 CA SER A 115 29.877 -11.255 -5.681 1.00 0.00 C ATOM 1812 C SER A 115 29.922 -10.624 -4.293 1.00 0.00 C ATOM 1813 O SER A 115 28.899 -10.509 -3.618 1.00 0.00 O ATOM 1814 CB SER A 115 30.379 -12.699 -5.614 1.00 0.00 C ATOM 1815 OG SER A 115 31.619 -12.776 -4.932 1.00 0.00 O ATOM 0 H SER A 115 31.475 -10.988 -7.013 1.00 0.00 H new ATOM 0 HA SER A 115 28.844 -11.253 -6.028 1.00 0.00 H new ATOM 0 HB2 SER A 115 29.642 -13.321 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 115 30.490 -13.096 -6.623 1.00 0.00 H new ATOM 0 HG SER A 115 31.918 -13.709 -4.901 1.00 0.00 H new ATOM 1821 N SER A 116 31.116 -10.216 -3.874 1.00 0.00 N ATOM 1822 CA SER A 116 31.297 -9.599 -2.565 1.00 0.00 C ATOM 1823 C SER A 116 30.401 -8.373 -2.414 1.00 0.00 C ATOM 1824 O SER A 116 30.427 -7.465 -3.243 1.00 0.00 O ATOM 1825 CB SER A 116 32.760 -9.204 -2.362 1.00 0.00 C ATOM 1826 OG SER A 116 33.619 -10.318 -2.537 1.00 0.00 O ATOM 0 H SER A 116 31.972 -10.302 -4.422 1.00 0.00 H new ATOM 0 HA SER A 116 31.017 -10.328 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 116 33.029 -8.419 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 116 32.893 -8.792 -1.362 1.00 0.00 H new ATOM 0 HG SER A 116 34.549 -10.038 -2.404 1.00 0.00 H new ATOM 1832 N GLY A 117 29.608 -8.355 -1.347 1.00 0.00 N ATOM 1833 CA GLY A 117 28.715 -7.237 -1.105 1.00 0.00 C ATOM 1834 C GLY A 117 28.462 -7.006 0.372 1.00 0.00 C ATOM 1835 O GLY A 117 27.364 -7.233 0.879 1.00 0.00 O ATOM 0 H GLY A 117 29.568 -9.095 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 117 29.141 -6.334 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 117 27.766 -7.419 -1.609 1.00 0.00 H new ATOM 1839 N PRO A 118 29.498 -6.544 1.088 1.00 0.00 N ATOM 1840 CA PRO A 118 29.408 -6.273 2.526 1.00 0.00 C ATOM 1841 C PRO A 118 28.531 -5.065 2.834 1.00 0.00 C ATOM 1842 O PRO A 118 28.112 -4.343 1.930 1.00 0.00 O ATOM 1843 CB PRO A 118 30.859 -5.996 2.926 1.00 0.00 C ATOM 1844 CG PRO A 118 31.513 -5.519 1.676 1.00 0.00 C ATOM 1845 CD PRO A 118 30.837 -6.251 0.550 1.00 0.00 C ATOM 0 HA PRO A 118 28.952 -7.101 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 118 30.916 -5.245 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 118 31.343 -6.895 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 118 31.400 -4.441 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 118 32.583 -5.728 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 118 30.783 -5.640 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 118 31.372 -7.163 0.285 1.00 0.00 H new ATOM 1853 N SER A 119 28.256 -4.851 4.117 1.00 0.00 N ATOM 1854 CA SER A 119 27.425 -3.731 4.544 1.00 0.00 C ATOM 1855 C SER A 119 28.275 -2.491 4.803 1.00 0.00 C ATOM 1856 O SER A 119 29.128 -2.485 5.690 1.00 0.00 O ATOM 1857 CB SER A 119 26.644 -4.101 5.807 1.00 0.00 C ATOM 1858 OG SER A 119 25.483 -4.848 5.488 1.00 0.00 O ATOM 0 H SER A 119 28.596 -5.438 4.878 1.00 0.00 H new ATOM 0 HA SER A 119 26.721 -3.506 3.742 1.00 0.00 H new ATOM 0 HB2 SER A 119 27.281 -4.680 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 119 26.361 -3.195 6.342 1.00 0.00 H new ATOM 0 HG SER A 119 25.003 -5.074 6.312 1.00 0.00 H new ATOM 1864 N SER A 120 28.035 -1.443 4.022 1.00 0.00 N ATOM 1865 CA SER A 120 28.781 -0.198 4.163 1.00 0.00 C ATOM 1866 C SER A 120 27.943 0.859 4.876 1.00 0.00 C ATOM 1867 O SER A 120 26.738 0.969 4.649 1.00 0.00 O ATOM 1868 CB SER A 120 29.215 0.319 2.790 1.00 0.00 C ATOM 1869 OG SER A 120 28.093 0.575 1.963 1.00 0.00 O ATOM 0 H SER A 120 27.330 -1.431 3.285 1.00 0.00 H new ATOM 0 HA SER A 120 29.668 -0.400 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 120 29.798 1.232 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 120 29.864 -0.414 2.311 1.00 0.00 H new ATOM 0 HG SER A 120 28.397 0.906 1.092 1.00 0.00 H new ATOM 1875 N GLY A 121 28.590 1.636 5.739 1.00 0.00 N ATOM 1876 CA GLY A 121 27.890 2.674 6.472 1.00 0.00 C ATOM 1877 C GLY A 121 28.775 3.357 7.496 1.00 0.00 C ATOM 1878 O GLY A 121 29.419 4.351 7.163 1.00 0.00 O ATOM 0 H GLY A 121 29.587 1.565 5.944 1.00 0.00 H new ATOM 0 HA2 GLY A 121 27.511 3.417 5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 121 27.026 2.240 6.975 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.577 -0.350 6.862 1.00 0.00 ZN