USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 hydrogens (15 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 84 AMH HO2 : A 84 AMH O2 : A 84 AMH C8 :(short bond) USER MOD Set 1.1: A 48 LYS NZ :NH3+ -164:sc= 1.36 (180deg=-0.209) USER MOD Set 1.2: A 50 TYR OH : rot -107:sc= 1.76 USER MOD Set 2.1: A 39 SER OG : rot -78:sc= 1.24! USER MOD Set 2.2: A 40 LYS NZ :NH3+ 134:sc= 0.885 (180deg=-0.143) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.63! C(o=-2.3!,f=-13!) USER MOD Set 3.2: A 28 GLN : amide:sc= -0.956 K(o=-2.3,f=-11!) USER MOD Set 3.3: A 33 HIS : no HE2:sc= 0.279 K(o=-2.3,f=-19!) USER MOD Set 4.1: A 14 SER OG : rot 62:sc= -3.06! USER MOD Set 4.2: A 49 ASN : amide:sc= -0.291 K(o=-3.4,f=-9.3!) USER MOD Single : A 2 MET CE :methyl 165:sc= -3.15 (180deg=-4.91) USER MOD Single : A 3 HIS : no HD1:sc=-0.00694 X(o=-0.0069,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0365 USER MOD Single : A 8 ASN : amide:sc= 0.527 K(o=0.53,f=-0.26) USER MOD Single : A 9 TYR OH : rot -170:sc= 0.338 USER MOD Single : A -3 SER OG : rot 137:sc= 0.908 USER MOD Single : A -4 THR N :NH3+ -136:sc= 1.21 (180deg=0.0753) USER MOD Single : A -4 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -1.26! (180deg=-2.3!) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 1.87 (180deg=1.05!) USER MOD Single : A 16 THR OG1 : rot -50:sc= 0.786 USER MOD Single : A 17 MET CE :methyl 174:sc=-0.00458 (180deg=-0.0709) USER MOD Single : A 18 SER OG : rot 180:sc= -0.169 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 33:sc= 0.567 USER MOD Single : A 31 HIS : no HE2:sc= 0.224 K(o=0.22,f=-3.8!) USER MOD Single : A 36 TYR OH : rot 164:sc= 0.874 USER MOD Single : A 43 ASN : amide:sc= 0.125 K(o=0.13,f=-6.5!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 1.63 (180deg=1.14) USER MOD Single : A 45 ASN : amide:sc= 0.344 K(o=0.34,f=-8.7!) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 2.26 (180deg=1.77) USER MOD Single : A 53 ASN : amide:sc= 0.292 K(o=0.29,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot -96:sc= 1.76 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.068 USER MOD Single : A 69 ASN : amide:sc= 0.0781 X(o=0.078,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -1.6! (180deg=-2.28!) USER MOD Single : A 81 THR OG1 : rot -74:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -4 -10.632 11.001 9.379 1.00 0.00 N ATOM 2 CA THR A -4 -11.613 10.097 8.833 1.00 0.00 C ATOM 3 C THR A -4 -10.752 9.122 8.045 1.00 0.00 C ATOM 4 O THR A -4 -9.538 9.285 8.071 1.00 0.00 O ATOM 5 CB THR A -4 -12.553 10.963 7.970 1.00 0.00 C ATOM 6 OG1 THR A -4 -11.882 12.205 7.775 1.00 0.00 O ATOM 7 CG2 THR A -4 -13.893 11.207 8.680 1.00 0.00 C ATOM 0 H1 THR A -4 -10.852 11.190 10.378 1.00 0.00 H new ATOM 0 H2 THR A -4 -9.687 10.572 9.307 1.00 0.00 H new ATOM 0 H3 THR A -4 -10.648 11.894 8.846 1.00 0.00 H new ATOM 0 HA THR A -4 -12.249 9.551 9.530 1.00 0.00 H new ATOM 0 HB THR A -4 -12.775 10.463 7.027 1.00 0.00 H new ATOM 0 HG1 THR A -4 -12.440 12.796 7.227 1.00 0.00 H new ATOM 0 HG21 THR A -4 -14.534 11.820 8.047 1.00 0.00 H new ATOM 0 HG22 THR A -4 -14.381 10.252 8.874 1.00 0.00 H new ATOM 0 HG23 THR A -4 -13.716 11.722 9.624 1.00 0.00 H new ATOM 17 N SER A -3 -11.409 8.160 7.384 1.00 0.00 N ATOM 18 CA SER A -3 -10.720 7.157 6.589 1.00 0.00 C ATOM 19 C SER A -3 -11.809 6.476 5.754 1.00 0.00 C ATOM 20 O SER A -3 -12.990 6.711 5.994 1.00 0.00 O ATOM 21 CB SER A -3 -10.036 6.147 7.528 1.00 0.00 C ATOM 22 OG SER A -3 -10.955 5.688 8.519 1.00 0.00 O ATOM 0 H SER A -3 -12.424 8.062 7.390 1.00 0.00 H new ATOM 0 HA SER A -3 -9.947 7.585 5.951 1.00 0.00 H new ATOM 0 HB2 SER A -3 -9.660 5.301 6.952 1.00 0.00 H new ATOM 0 HB3 SER A -3 -9.176 6.613 8.009 1.00 0.00 H new ATOM 0 HG SER A -3 -10.854 4.720 8.635 1.00 0.00 H new ATOM 28 N GLU A -2 -11.380 5.628 4.799 1.00 0.00 N ATOM 29 CA GLU A -2 -12.333 4.845 4.017 1.00 0.00 C ATOM 30 C GLU A -2 -11.943 3.378 4.251 1.00 0.00 C ATOM 31 O GLU A -2 -10.979 2.861 3.712 1.00 0.00 O ATOM 32 CB GLU A -2 -12.392 5.291 2.541 1.00 0.00 C ATOM 33 CG GLU A -2 -11.039 5.393 1.819 1.00 0.00 C ATOM 34 CD GLU A -2 -11.195 5.876 0.361 1.00 0.00 C ATOM 35 OE1 GLU A -2 -11.833 6.906 0.151 1.00 0.00 O ATOM 36 OE2 GLU A -2 -10.668 5.234 -0.551 1.00 0.00 O ATOM 0 H GLU A -2 -10.400 5.475 4.560 1.00 0.00 H new ATOM 0 HA GLU A -2 -13.364 4.999 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A -2 -13.022 4.590 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A -2 -12.882 6.264 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A -2 -10.390 6.081 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A -2 -10.549 4.419 1.828 1.00 0.00 H new ATOM 43 N GLU A -1 -12.729 2.749 5.142 1.00 0.00 N ATOM 44 CA GLU A -1 -12.427 1.379 5.544 1.00 0.00 C ATOM 45 C GLU A -1 -12.792 0.366 4.441 1.00 0.00 C ATOM 46 O GLU A -1 -12.172 -0.682 4.320 1.00 0.00 O ATOM 47 CB GLU A -1 -13.172 1.075 6.850 1.00 0.00 C ATOM 48 CG GLU A -1 -12.883 2.089 7.980 1.00 0.00 C ATOM 49 CD GLU A -1 -11.503 1.896 8.627 1.00 0.00 C ATOM 50 OE1 GLU A -1 -11.120 0.759 8.891 1.00 0.00 O ATOM 51 OE2 GLU A -1 -10.828 2.874 8.960 1.00 0.00 O ATOM 0 H GLU A -1 -13.553 3.159 5.582 1.00 0.00 H new ATOM 0 HA GLU A -1 -11.353 1.283 5.705 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -14.244 1.061 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -12.898 0.077 7.191 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -12.951 3.100 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -13.653 1.998 8.747 1.00 0.00 H new ATOM 58 N CYS A 1 -13.813 0.738 3.641 1.00 0.00 N ATOM 59 CA CYS A 1 -14.217 -0.068 2.491 1.00 0.00 C ATOM 60 C CYS A 1 -14.055 0.848 1.278 1.00 0.00 C ATOM 61 O CYS A 1 -14.158 2.062 1.409 1.00 0.00 O ATOM 62 CB CYS A 1 -15.641 -0.624 2.631 1.00 0.00 C ATOM 63 SG CYS A 1 -16.981 0.594 2.520 1.00 0.00 S ATOM 0 H CYS A 1 -14.363 1.586 3.776 1.00 0.00 H new ATOM 0 HA CYS A 1 -13.600 -0.961 2.395 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -15.794 -1.376 1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -15.718 -1.134 3.591 1.00 0.00 H new ATOM 68 N MET A 2 -13.730 0.217 0.131 1.00 0.00 N ATOM 69 CA MET A 2 -13.428 0.985 -1.078 1.00 0.00 C ATOM 70 C MET A 2 -14.362 0.604 -2.229 1.00 0.00 C ATOM 71 O MET A 2 -14.978 -0.453 -2.274 1.00 0.00 O ATOM 72 CB MET A 2 -11.976 0.715 -1.522 1.00 0.00 C ATOM 73 CG MET A 2 -10.942 1.646 -0.875 1.00 0.00 C ATOM 74 SD MET A 2 -11.240 2.026 0.858 1.00 0.00 S ATOM 75 CE MET A 2 -10.745 0.479 1.623 1.00 0.00 C ATOM 0 H MET A 2 -13.673 -0.796 0.024 1.00 0.00 H new ATOM 0 HA MET A 2 -13.567 2.040 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 2 -11.720 -0.317 -1.283 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.913 0.816 -2.605 1.00 0.00 H new ATOM 0 HG2 MET A 2 -9.956 1.189 -0.967 1.00 0.00 H new ATOM 0 HG3 MET A 2 -10.914 2.580 -1.437 1.00 0.00 H new ATOM 0 HE1 MET A 2 -10.614 0.629 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 2 -11.515 -0.274 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 2 -9.805 0.141 1.186 1.00 0.00 H new ATOM 85 N HIS A 3 -14.361 1.556 -3.184 1.00 0.00 N ATOM 86 CA HIS A 3 -15.109 1.414 -4.423 1.00 0.00 C ATOM 87 C HIS A 3 -14.475 0.361 -5.354 1.00 0.00 C ATOM 88 O HIS A 3 -15.162 -0.230 -6.183 1.00 0.00 O ATOM 89 CB HIS A 3 -15.179 2.768 -5.144 1.00 0.00 C ATOM 90 CG HIS A 3 -15.895 3.801 -4.299 1.00 0.00 C ATOM 91 ND1 HIS A 3 -15.544 5.105 -4.259 1.00 0.00 N ATOM 92 CD2 HIS A 3 -17.002 3.620 -3.451 1.00 0.00 C ATOM 93 CE1 HIS A 3 -16.409 5.696 -3.416 1.00 0.00 C ATOM 94 NE2 HIS A 3 -17.299 4.824 -2.915 1.00 0.00 N ATOM 0 H HIS A 3 -13.843 2.432 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.114 1.075 -4.170 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -14.171 3.115 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -15.697 2.650 -6.096 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.519 2.691 -3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.390 6.748 -3.171 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -18.052 5.030 -2.258 1.00 0.00 H new ATOM 102 N GLY A 4 -13.150 0.166 -5.175 1.00 0.00 N ATOM 103 CA GLY A 4 -12.443 -0.834 -5.975 1.00 0.00 C ATOM 104 C GLY A 4 -10.971 -0.479 -6.237 1.00 0.00 C ATOM 105 O GLY A 4 -10.144 -1.357 -6.435 1.00 0.00 O ATOM 0 H GLY A 4 -12.572 0.673 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.491 -1.796 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.956 -0.953 -6.930 1.00 0.00 H new ATOM 109 N SER A 5 -10.691 0.841 -6.236 1.00 0.00 N ATOM 110 CA SER A 5 -9.351 1.322 -6.565 1.00 0.00 C ATOM 111 C SER A 5 -8.489 1.542 -5.309 1.00 0.00 C ATOM 112 O SER A 5 -7.386 1.033 -5.162 1.00 0.00 O ATOM 113 CB SER A 5 -9.559 2.658 -7.289 1.00 0.00 C ATOM 114 OG SER A 5 -10.495 3.435 -6.541 1.00 0.00 O ATOM 0 H SER A 5 -11.366 1.573 -6.015 1.00 0.00 H new ATOM 0 HA SER A 5 -8.823 0.588 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.612 3.190 -7.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.929 2.488 -8.300 1.00 0.00 H new ATOM 0 HG SER A 5 -10.639 4.295 -6.989 1.00 0.00 H new ATOM 120 N GLY A 6 -9.075 2.363 -4.424 1.00 0.00 N ATOM 121 CA GLY A 6 -8.392 2.731 -3.189 1.00 0.00 C ATOM 122 C GLY A 6 -7.502 3.963 -3.382 1.00 0.00 C ATOM 123 O GLY A 6 -6.553 4.211 -2.644 1.00 0.00 O ATOM 0 H GLY A 6 -10.001 2.774 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.129 2.932 -2.411 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -7.785 1.894 -2.845 1.00 0.00 H new ATOM 127 N GLU A 7 -7.888 4.761 -4.394 1.00 0.00 N ATOM 128 CA GLU A 7 -7.112 5.964 -4.698 1.00 0.00 C ATOM 129 C GLU A 7 -6.951 6.891 -3.470 1.00 0.00 C ATOM 130 O GLU A 7 -5.899 7.475 -3.246 1.00 0.00 O ATOM 131 CB GLU A 7 -7.709 6.693 -5.921 1.00 0.00 C ATOM 132 CG GLU A 7 -6.783 6.666 -7.150 1.00 0.00 C ATOM 133 CD GLU A 7 -5.538 7.543 -6.939 1.00 0.00 C ATOM 134 OE1 GLU A 7 -4.674 7.188 -6.145 1.00 0.00 O ATOM 135 OE2 GLU A 7 -5.409 8.585 -7.576 1.00 0.00 O ATOM 0 H GLU A 7 -8.700 4.600 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.100 5.654 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.662 6.233 -6.181 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.918 7.729 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.476 5.640 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.330 7.014 -8.026 1.00 0.00 H new ATOM 142 N ASN A 8 -8.026 6.955 -2.662 1.00 0.00 N ATOM 143 CA ASN A 8 -8.010 7.769 -1.442 1.00 0.00 C ATOM 144 C ASN A 8 -7.925 6.869 -0.186 1.00 0.00 C ATOM 145 O ASN A 8 -8.087 7.317 0.939 1.00 0.00 O ATOM 146 CB ASN A 8 -9.297 8.614 -1.447 1.00 0.00 C ATOM 147 CG ASN A 8 -9.353 9.613 -0.282 1.00 0.00 C ATOM 148 OD1 ASN A 8 -8.633 10.601 -0.257 1.00 0.00 O ATOM 149 ND2 ASN A 8 -10.255 9.319 0.660 1.00 0.00 N ATOM 0 H ASN A 8 -8.901 6.460 -2.832 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.135 8.418 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.367 9.157 -2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -10.162 7.952 -1.395 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.374 9.937 1.462 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.824 8.476 0.576 1.00 0.00 H new ATOM 156 N TYR A 9 -7.675 5.570 -0.438 1.00 0.00 N ATOM 157 CA TYR A 9 -7.682 4.607 0.650 1.00 0.00 C ATOM 158 C TYR A 9 -6.564 4.789 1.692 1.00 0.00 C ATOM 159 O TYR A 9 -5.383 4.588 1.430 1.00 0.00 O ATOM 160 CB TYR A 9 -7.668 3.150 0.128 1.00 0.00 C ATOM 161 CG TYR A 9 -7.479 2.156 1.244 1.00 0.00 C ATOM 162 CD1 TYR A 9 -8.272 2.236 2.376 1.00 0.00 C ATOM 163 CD2 TYR A 9 -6.477 1.197 1.199 1.00 0.00 C ATOM 164 CE1 TYR A 9 -8.025 1.448 3.483 1.00 0.00 C ATOM 165 CE2 TYR A 9 -6.215 0.404 2.309 1.00 0.00 C ATOM 166 CZ TYR A 9 -6.967 0.560 3.471 1.00 0.00 C ATOM 167 OH TYR A 9 -6.675 -0.122 4.633 1.00 0.00 O ATOM 0 H TYR A 9 -7.473 5.183 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.619 4.810 1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.604 2.941 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.867 3.033 -0.602 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.100 2.929 2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.898 1.067 0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.657 1.526 4.355 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.428 -0.334 2.271 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.816 -0.584 4.534 1.00 0.00 H new ATOM 177 N ASP A 10 -7.087 5.011 2.907 1.00 0.00 N ATOM 178 CA ASP A 10 -6.361 4.867 4.149 1.00 0.00 C ATOM 179 C ASP A 10 -7.409 4.335 5.135 1.00 0.00 C ATOM 180 O ASP A 10 -8.597 4.615 5.000 1.00 0.00 O ATOM 181 CB ASP A 10 -5.583 6.113 4.594 1.00 0.00 C ATOM 182 CG ASP A 10 -6.375 7.414 4.756 1.00 0.00 C ATOM 183 OD1 ASP A 10 -7.522 7.371 5.187 1.00 0.00 O ATOM 184 OD2 ASP A 10 -5.802 8.466 4.467 1.00 0.00 O ATOM 0 H ASP A 10 -8.055 5.303 3.042 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.526 4.172 4.058 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.103 5.889 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.787 6.290 3.871 1.00 0.00 H new ATOM 189 N GLY A 11 -6.925 3.514 6.086 1.00 0.00 N ATOM 190 CA GLY A 11 -7.836 2.926 7.051 1.00 0.00 C ATOM 191 C GLY A 11 -7.067 2.051 8.033 1.00 0.00 C ATOM 192 O GLY A 11 -6.594 2.520 9.065 1.00 0.00 O ATOM 0 H GLY A 11 -5.944 3.257 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.364 3.713 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.590 2.331 6.535 1.00 0.00 H new ATOM 196 N LYS A 12 -6.997 0.753 7.672 1.00 0.00 N ATOM 197 CA LYS A 12 -6.351 -0.218 8.567 1.00 0.00 C ATOM 198 C LYS A 12 -5.838 -1.473 7.827 1.00 0.00 C ATOM 199 O LYS A 12 -4.955 -2.159 8.324 1.00 0.00 O ATOM 200 CB LYS A 12 -7.295 -0.668 9.716 1.00 0.00 C ATOM 201 CG LYS A 12 -7.993 0.446 10.521 1.00 0.00 C ATOM 202 CD LYS A 12 -8.925 -0.110 11.608 1.00 0.00 C ATOM 203 CE LYS A 12 -9.828 0.962 12.239 1.00 0.00 C ATOM 204 NZ LYS A 12 -10.696 1.602 11.252 1.00 0.00 N ATOM 0 H LYS A 12 -7.365 0.368 6.802 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.494 0.311 8.984 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.064 -1.312 9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.717 -1.278 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.239 1.082 10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.567 1.076 9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.549 -0.893 11.177 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.324 -0.575 12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.440 0.507 13.018 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.209 1.719 12.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.472 2.095 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.145 2.288 10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.090 0.880 10.616 1.00 0.00 H new ATOM 218 N ILE A 13 -6.421 -1.776 6.649 1.00 0.00 N ATOM 219 CA ILE A 13 -6.000 -2.977 5.935 1.00 0.00 C ATOM 220 C ILE A 13 -4.649 -2.708 5.247 1.00 0.00 C ATOM 221 O ILE A 13 -4.493 -1.739 4.508 1.00 0.00 O ATOM 222 CB ILE A 13 -7.040 -3.427 4.880 1.00 0.00 C ATOM 223 CG1 ILE A 13 -8.510 -3.282 5.343 1.00 0.00 C ATOM 224 CG2 ILE A 13 -6.762 -4.882 4.467 1.00 0.00 C ATOM 225 CD1 ILE A 13 -9.235 -2.066 4.744 1.00 0.00 C ATOM 0 H ILE A 13 -7.152 -1.227 6.196 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.906 -3.783 6.663 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.924 -2.756 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.056 -4.186 5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.532 -3.207 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.496 -5.196 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.761 -4.955 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.832 -5.528 5.342 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.259 -2.033 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.715 -1.153 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.246 -2.148 3.657 1.00 0.00 H new ATOM 237 N SER A 14 -3.710 -3.629 5.532 1.00 0.00 N ATOM 238 CA SER A 14 -2.380 -3.567 4.938 1.00 0.00 C ATOM 239 C SER A 14 -1.821 -4.983 4.669 1.00 0.00 C ATOM 240 O SER A 14 -0.618 -5.210 4.659 1.00 0.00 O ATOM 241 CB SER A 14 -1.480 -2.754 5.874 1.00 0.00 C ATOM 242 OG SER A 14 -0.248 -2.398 5.294 1.00 0.00 O ATOM 0 H SER A 14 -3.854 -4.415 6.166 1.00 0.00 H new ATOM 0 HA SER A 14 -2.422 -3.075 3.966 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.006 -1.849 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.294 -3.332 6.779 1.00 0.00 H new ATOM 0 HG SER A 14 -0.407 -1.828 4.513 1.00 0.00 H new ATOM 248 N LYS A 15 -2.760 -5.931 4.462 1.00 0.00 N ATOM 249 CA LYS A 15 -2.336 -7.315 4.241 1.00 0.00 C ATOM 250 C LYS A 15 -2.449 -7.632 2.744 1.00 0.00 C ATOM 251 O LYS A 15 -3.499 -7.507 2.119 1.00 0.00 O ATOM 252 CB LYS A 15 -3.149 -8.279 5.128 1.00 0.00 C ATOM 253 CG LYS A 15 -2.461 -9.646 5.331 1.00 0.00 C ATOM 254 CD LYS A 15 -2.786 -10.681 4.241 1.00 0.00 C ATOM 255 CE LYS A 15 -1.676 -11.732 4.056 1.00 0.00 C ATOM 256 NZ LYS A 15 -1.908 -12.595 2.898 1.00 0.00 N ATOM 0 H LYS A 15 -3.767 -5.769 4.444 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.294 -7.448 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.315 -7.815 6.100 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.129 -8.436 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.382 -9.496 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.757 -10.049 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.718 -11.186 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.950 -10.165 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.717 -11.226 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.608 -12.346 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.016 -13.054 2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.611 -13.322 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.262 -12.024 2.105 1.00 0.00 H new ATOM 270 N THR A 16 -1.285 -8.049 2.215 1.00 0.00 N ATOM 271 CA THR A 16 -1.208 -8.374 0.797 1.00 0.00 C ATOM 272 C THR A 16 -2.033 -9.637 0.502 1.00 0.00 C ATOM 273 O THR A 16 -1.952 -10.625 1.231 1.00 0.00 O ATOM 274 CB THR A 16 0.242 -8.554 0.340 1.00 0.00 C ATOM 275 OG1 THR A 16 0.756 -9.836 0.624 1.00 0.00 O ATOM 276 CG2 THR A 16 1.186 -7.473 0.875 1.00 0.00 C ATOM 0 H THR A 16 -0.415 -8.164 2.736 1.00 0.00 H new ATOM 0 HA THR A 16 -1.625 -7.539 0.234 1.00 0.00 H new ATOM 0 HB THR A 16 0.199 -8.445 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.588 -10.055 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.197 -7.661 0.513 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.853 -6.495 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.181 -7.493 1.965 1.00 0.00 H new ATOM 284 N MET A 17 -2.813 -9.520 -0.593 1.00 0.00 N ATOM 285 CA MET A 17 -3.805 -10.463 -1.116 1.00 0.00 C ATOM 286 C MET A 17 -3.446 -11.944 -0.942 1.00 0.00 C ATOM 287 O MET A 17 -4.305 -12.797 -0.759 1.00 0.00 O ATOM 288 CB MET A 17 -4.086 -10.140 -2.599 1.00 0.00 C ATOM 289 CG MET A 17 -2.942 -10.502 -3.562 1.00 0.00 C ATOM 290 SD MET A 17 -3.363 -10.110 -5.268 1.00 0.00 S ATOM 291 CE MET A 17 -1.692 -10.086 -5.943 1.00 0.00 C ATOM 0 H MET A 17 -2.754 -8.688 -1.180 1.00 0.00 H new ATOM 0 HA MET A 17 -4.702 -10.324 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.986 -10.672 -2.909 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.297 -9.075 -2.691 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.040 -9.961 -3.276 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.717 -11.565 -3.477 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.738 -9.963 -7.025 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.135 -9.256 -5.507 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.190 -11.024 -5.706 1.00 0.00 H new ATOM 301 N SER A 18 -2.136 -12.210 -0.995 1.00 0.00 N ATOM 302 CA SER A 18 -1.682 -13.558 -0.731 1.00 0.00 C ATOM 303 C SER A 18 -0.407 -13.460 0.104 1.00 0.00 C ATOM 304 O SER A 18 -0.427 -13.825 1.274 1.00 0.00 O ATOM 305 CB SER A 18 -1.674 -14.403 -2.022 1.00 0.00 C ATOM 306 OG SER A 18 -2.856 -14.187 -2.778 1.00 0.00 O ATOM 0 H SER A 18 -1.405 -11.532 -1.210 1.00 0.00 H new ATOM 0 HA SER A 18 -2.367 -14.142 -0.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.802 -14.147 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.588 -15.460 -1.769 1.00 0.00 H new ATOM 0 HG SER A 18 -2.828 -14.732 -3.592 1.00 0.00 H new ATOM 312 N GLY A 19 0.645 -12.909 -0.544 1.00 0.00 N ATOM 313 CA GLY A 19 1.985 -12.690 -0.001 1.00 0.00 C ATOM 314 C GLY A 19 2.113 -12.669 1.538 1.00 0.00 C ATOM 315 O GLY A 19 2.043 -13.699 2.195 1.00 0.00 O ATOM 0 H GLY A 19 0.567 -12.592 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.641 -13.471 -0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.358 -11.741 -0.387 1.00 0.00 H new ATOM 319 N LEU A 20 2.356 -11.457 2.076 1.00 0.00 N ATOM 320 CA LEU A 20 2.610 -11.299 3.505 1.00 0.00 C ATOM 321 C LEU A 20 1.869 -10.035 3.966 1.00 0.00 C ATOM 322 O LEU A 20 1.023 -9.508 3.250 1.00 0.00 O ATOM 323 CB LEU A 20 4.144 -11.187 3.730 1.00 0.00 C ATOM 324 CG LEU A 20 4.966 -12.303 3.038 1.00 0.00 C ATOM 325 CD1 LEU A 20 5.497 -11.861 1.662 1.00 0.00 C ATOM 326 CD2 LEU A 20 6.132 -12.805 3.899 1.00 0.00 C ATOM 0 H LEU A 20 2.380 -10.588 1.542 1.00 0.00 H new ATOM 0 HA LEU A 20 2.252 -12.151 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.485 -10.219 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.346 -11.212 4.801 1.00 0.00 H new ATOM 0 HG LEU A 20 4.268 -13.129 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.067 -12.675 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.659 -11.605 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.141 -10.990 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.671 -13.586 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.809 -11.978 4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.746 -13.209 4.835 1.00 0.00 H new ATOM 338 N GLU A 21 2.250 -9.583 5.176 1.00 0.00 N ATOM 339 CA GLU A 21 1.769 -8.310 5.697 1.00 0.00 C ATOM 340 C GLU A 21 2.675 -7.247 5.064 1.00 0.00 C ATOM 341 O GLU A 21 3.840 -7.508 4.775 1.00 0.00 O ATOM 342 CB GLU A 21 1.860 -8.309 7.235 1.00 0.00 C ATOM 343 CG GLU A 21 1.514 -6.967 7.919 1.00 0.00 C ATOM 344 CD GLU A 21 0.082 -6.457 7.663 1.00 0.00 C ATOM 345 OE1 GLU A 21 -0.750 -7.218 7.170 1.00 0.00 O ATOM 346 OE2 GLU A 21 -0.181 -5.293 7.970 1.00 0.00 O ATOM 0 H GLU A 21 2.884 -10.083 5.799 1.00 0.00 H new ATOM 0 HA GLU A 21 0.724 -8.118 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.191 -9.078 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.872 -8.593 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.658 -7.076 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.220 -6.210 7.578 1.00 0.00 H new ATOM 353 N CYS A 22 2.096 -6.062 4.828 1.00 0.00 N ATOM 354 CA CYS A 22 2.913 -5.024 4.221 1.00 0.00 C ATOM 355 C CYS A 22 3.874 -4.371 5.227 1.00 0.00 C ATOM 356 O CYS A 22 3.631 -4.243 6.421 1.00 0.00 O ATOM 357 CB CYS A 22 2.053 -3.960 3.564 1.00 0.00 C ATOM 358 SG CYS A 22 1.361 -4.505 1.990 1.00 0.00 S ATOM 0 H CYS A 22 1.128 -5.814 5.035 1.00 0.00 H new ATOM 0 HA CYS A 22 3.515 -5.516 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.242 -3.686 4.238 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.651 -3.063 3.403 1.00 0.00 H new ATOM 363 N GLN A 23 4.978 -3.956 4.598 1.00 0.00 N ATOM 364 CA GLN A 23 6.098 -3.251 5.176 1.00 0.00 C ATOM 365 C GLN A 23 5.794 -1.750 5.033 1.00 0.00 C ATOM 366 O GLN A 23 5.347 -1.298 3.986 1.00 0.00 O ATOM 367 CB GLN A 23 7.327 -3.716 4.370 1.00 0.00 C ATOM 368 CG GLN A 23 8.608 -2.912 4.617 1.00 0.00 C ATOM 369 CD GLN A 23 9.031 -2.087 3.393 1.00 0.00 C ATOM 370 OE1 GLN A 23 10.158 -2.156 2.922 1.00 0.00 O ATOM 371 NE2 GLN A 23 8.080 -1.290 2.910 1.00 0.00 N ATOM 0 H GLN A 23 5.110 -4.122 3.600 1.00 0.00 H new ATOM 0 HA GLN A 23 6.281 -3.445 6.233 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.522 -4.762 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.085 -3.668 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.456 -2.245 5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.414 -3.594 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.158 -1.275 3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.274 -0.694 2.105 1.00 0.00 H new ATOM 380 N ALA A 24 6.045 -1.010 6.131 1.00 0.00 N ATOM 381 CA ALA A 24 5.756 0.423 6.148 1.00 0.00 C ATOM 382 C ALA A 24 6.525 1.192 5.049 1.00 0.00 C ATOM 383 O ALA A 24 7.645 0.857 4.699 1.00 0.00 O ATOM 384 CB ALA A 24 6.029 0.978 7.545 1.00 0.00 C ATOM 0 H ALA A 24 6.439 -1.378 6.997 1.00 0.00 H new ATOM 0 HA ALA A 24 4.701 0.567 5.916 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.814 2.047 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.393 0.470 8.269 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.075 0.814 7.803 1.00 0.00 H new ATOM 390 N TRP A 25 5.823 2.202 4.505 1.00 0.00 N ATOM 391 CA TRP A 25 6.279 2.961 3.343 1.00 0.00 C ATOM 392 C TRP A 25 7.565 3.800 3.491 1.00 0.00 C ATOM 393 O TRP A 25 8.063 4.255 2.470 1.00 0.00 O ATOM 394 CB TRP A 25 5.178 3.936 2.891 1.00 0.00 C ATOM 395 CG TRP A 25 3.974 3.216 2.338 1.00 0.00 C ATOM 396 CD1 TRP A 25 2.853 2.817 3.065 1.00 0.00 C ATOM 397 CD2 TRP A 25 3.732 2.841 0.967 1.00 0.00 C ATOM 398 NE1 TRP A 25 1.969 2.231 2.228 1.00 0.00 N ATOM 399 CE2 TRP A 25 2.461 2.225 0.934 1.00 0.00 C ATOM 400 CE3 TRP A 25 4.452 2.984 -0.188 1.00 0.00 C ATOM 401 CZ2 TRP A 25 1.947 1.770 -0.248 1.00 0.00 C ATOM 402 CZ3 TRP A 25 3.929 2.523 -1.398 1.00 0.00 C ATOM 403 CH2 TRP A 25 2.674 1.914 -1.427 1.00 0.00 C ATOM 0 H TRP A 25 4.920 2.510 4.866 1.00 0.00 H new ATOM 0 HA TRP A 25 6.512 2.173 2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.874 4.555 3.735 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.579 4.608 2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.714 2.954 4.127 1.00 0.00 H new ATOM 0 HE1 TRP A 25 1.067 1.847 2.510 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.424 3.453 -0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.976 1.298 -0.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.495 2.638 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.268 1.555 -2.361 1.00 0.00 H new ATOM 414 N ASP A 26 8.083 4.059 4.715 1.00 0.00 N ATOM 415 CA ASP A 26 9.268 4.932 4.745 1.00 0.00 C ATOM 416 C ASP A 26 10.545 4.104 4.505 1.00 0.00 C ATOM 417 O ASP A 26 10.534 3.148 3.744 1.00 0.00 O ATOM 418 CB ASP A 26 9.280 5.828 6.003 1.00 0.00 C ATOM 419 CG ASP A 26 9.933 7.185 5.670 1.00 0.00 C ATOM 420 OD1 ASP A 26 11.151 7.317 5.763 1.00 0.00 O ATOM 421 OD2 ASP A 26 9.222 8.108 5.282 1.00 0.00 O ATOM 0 H ASP A 26 7.738 3.713 5.611 1.00 0.00 H new ATOM 0 HA ASP A 26 9.227 5.643 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.262 5.982 6.361 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.830 5.337 6.806 1.00 0.00 H new ATOM 426 N SER A 27 11.639 4.484 5.187 1.00 0.00 N ATOM 427 CA SER A 27 12.900 3.757 5.039 1.00 0.00 C ATOM 428 C SER A 27 13.084 2.927 6.306 1.00 0.00 C ATOM 429 O SER A 27 13.211 3.457 7.403 1.00 0.00 O ATOM 430 CB SER A 27 14.048 4.755 4.843 1.00 0.00 C ATOM 431 OG SER A 27 15.234 4.060 4.482 1.00 0.00 O ATOM 0 H SER A 27 11.672 5.274 5.832 1.00 0.00 H new ATOM 0 HA SER A 27 12.892 3.102 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.787 5.475 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.212 5.320 5.761 1.00 0.00 H new ATOM 0 HG SER A 27 15.964 4.702 4.356 1.00 0.00 H new ATOM 437 N GLN A 28 13.017 1.599 6.089 1.00 0.00 N ATOM 438 CA GLN A 28 13.061 0.671 7.210 1.00 0.00 C ATOM 439 C GLN A 28 13.892 -0.597 6.864 1.00 0.00 C ATOM 440 O GLN A 28 15.044 -0.702 7.263 1.00 0.00 O ATOM 441 CB GLN A 28 11.623 0.479 7.777 1.00 0.00 C ATOM 442 CG GLN A 28 10.452 0.817 6.813 1.00 0.00 C ATOM 443 CD GLN A 28 10.470 -0.121 5.620 1.00 0.00 C ATOM 444 OE1 GLN A 28 10.543 -1.319 5.813 1.00 0.00 O ATOM 445 NE2 GLN A 28 10.469 0.430 4.406 1.00 0.00 N ATOM 0 H GLN A 28 12.935 1.164 5.170 1.00 0.00 H new ATOM 0 HA GLN A 28 13.623 1.075 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.516 -0.558 8.095 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.521 1.098 8.669 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.501 0.730 7.339 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.536 1.850 6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.405 1.443 4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.532 -0.162 3.577 1.00 0.00 H new ATOM 454 N SER A 29 13.270 -1.541 6.129 1.00 0.00 N ATOM 455 CA SER A 29 13.855 -2.830 5.761 1.00 0.00 C ATOM 456 C SER A 29 12.702 -3.699 5.199 1.00 0.00 C ATOM 457 O SER A 29 11.696 -3.810 5.889 1.00 0.00 O ATOM 458 CB SER A 29 14.371 -3.554 7.020 1.00 0.00 C ATOM 459 OG SER A 29 13.395 -3.575 8.050 1.00 0.00 O ATOM 0 H SER A 29 12.323 -1.417 5.770 1.00 0.00 H new ATOM 0 HA SER A 29 14.669 -2.680 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 29 14.651 -4.576 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 29 15.272 -3.058 7.382 1.00 0.00 H new ATOM 0 HG SER A 29 12.501 -3.627 7.652 1.00 0.00 H new ATOM 465 N PRO A 30 12.831 -4.345 4.000 1.00 0.00 N ATOM 466 CA PRO A 30 14.078 -4.687 3.298 1.00 0.00 C ATOM 467 C PRO A 30 15.048 -3.582 2.848 1.00 0.00 C ATOM 468 O PRO A 30 16.162 -3.495 3.352 1.00 0.00 O ATOM 469 CB PRO A 30 13.626 -5.571 2.121 1.00 0.00 C ATOM 470 CG PRO A 30 12.284 -6.146 2.577 1.00 0.00 C ATOM 471 CD PRO A 30 11.671 -5.015 3.401 1.00 0.00 C ATOM 0 HA PRO A 30 14.725 -5.165 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.520 -4.990 1.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.349 -6.361 1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 30 11.653 -6.412 1.729 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.416 -7.050 3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.094 -4.333 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.993 -5.399 4.164 1.00 0.00 H new ATOM 479 N HIS A 31 14.607 -2.772 1.867 1.00 0.00 N ATOM 480 CA HIS A 31 15.467 -1.717 1.328 1.00 0.00 C ATOM 481 C HIS A 31 14.646 -0.430 1.221 1.00 0.00 C ATOM 482 O HIS A 31 13.422 -0.461 1.222 1.00 0.00 O ATOM 483 CB HIS A 31 15.983 -2.105 -0.073 1.00 0.00 C ATOM 484 CG HIS A 31 16.831 -3.362 -0.058 1.00 0.00 C ATOM 485 ND1 HIS A 31 17.470 -3.858 1.025 1.00 0.00 N ATOM 486 CD2 HIS A 31 17.100 -4.210 -1.145 1.00 0.00 C ATOM 487 CE1 HIS A 31 18.104 -4.967 0.611 1.00 0.00 C ATOM 488 NE2 HIS A 31 17.899 -5.204 -0.696 1.00 0.00 N ATOM 0 H HIS A 31 13.681 -2.829 1.443 1.00 0.00 H new ATOM 0 HA HIS A 31 16.322 -1.575 1.989 1.00 0.00 H new ATOM 0 HB2 HIS A 31 15.134 -2.253 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.569 -1.281 -0.481 1.00 0.00 H new ATOM 0 HD1 HIS A 31 17.471 -3.468 1.968 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.735 -4.090 -2.154 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.707 -5.594 1.252 1.00 0.00 H new ATOM 496 N ALA A 32 15.391 0.691 1.124 1.00 0.00 N ATOM 497 CA ALA A 32 14.781 2.012 0.985 1.00 0.00 C ATOM 498 C ALA A 32 14.219 2.211 -0.440 1.00 0.00 C ATOM 499 O ALA A 32 14.787 2.901 -1.277 1.00 0.00 O ATOM 500 CB ALA A 32 15.823 3.086 1.319 1.00 0.00 C ATOM 0 H ALA A 32 16.411 0.699 1.140 1.00 0.00 H new ATOM 0 HA ALA A 32 13.945 2.097 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.373 4.074 1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.171 2.950 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 32 16.667 2.999 0.635 1.00 0.00 H new ATOM 506 N HIS A 33 13.072 1.550 -0.641 1.00 0.00 N ATOM 507 CA HIS A 33 12.326 1.599 -1.893 1.00 0.00 C ATOM 508 C HIS A 33 11.719 3.007 -2.097 1.00 0.00 C ATOM 509 O HIS A 33 11.757 3.854 -1.218 1.00 0.00 O ATOM 510 CB HIS A 33 11.226 0.524 -1.822 1.00 0.00 C ATOM 511 CG HIS A 33 10.405 0.758 -0.574 1.00 0.00 C ATOM 512 ND1 HIS A 33 9.579 1.811 -0.418 1.00 0.00 N ATOM 513 CD2 HIS A 33 10.387 0.005 0.613 1.00 0.00 C ATOM 514 CE1 HIS A 33 9.077 1.711 0.814 1.00 0.00 C ATOM 515 NE2 HIS A 33 9.547 0.635 1.461 1.00 0.00 N ATOM 0 H HIS A 33 12.637 0.963 0.070 1.00 0.00 H new ATOM 0 HA HIS A 33 12.980 1.403 -2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.592 0.572 -2.707 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.670 -0.471 -1.802 1.00 0.00 H new ATOM 0 HD1 HIS A 33 9.378 2.539 -1.104 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.939 -0.903 0.809 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.375 2.413 1.239 1.00 0.00 H new ATOM 523 N GLY A 34 11.138 3.196 -3.298 1.00 0.00 N ATOM 524 CA GLY A 34 10.507 4.479 -3.604 1.00 0.00 C ATOM 525 C GLY A 34 9.176 4.651 -2.850 1.00 0.00 C ATOM 526 O GLY A 34 8.680 3.734 -2.209 1.00 0.00 O ATOM 0 H GLY A 34 11.096 2.500 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.184 5.291 -3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.330 4.551 -4.677 1.00 0.00 H new ATOM 530 N TYR A 36 8.636 5.882 -2.986 1.00 0.00 N ATOM 531 CA TYR A 36 7.368 6.270 -2.356 1.00 0.00 C ATOM 532 C TYR A 36 7.530 6.329 -0.815 1.00 0.00 C ATOM 533 O TYR A 36 6.863 5.632 -0.065 1.00 0.00 O ATOM 534 CB TYR A 36 6.188 5.354 -2.759 1.00 0.00 C ATOM 535 CG TYR A 36 6.190 4.903 -4.199 1.00 0.00 C ATOM 536 CD1 TYR A 36 5.951 5.770 -5.260 1.00 0.00 C ATOM 537 CD2 TYR A 36 6.424 3.567 -4.480 1.00 0.00 C ATOM 538 CE1 TYR A 36 5.968 5.296 -6.569 1.00 0.00 C ATOM 539 CE2 TYR A 36 6.442 3.088 -5.777 1.00 0.00 C ATOM 540 CZ TYR A 36 6.228 3.958 -6.835 1.00 0.00 C ATOM 541 OH TYR A 36 6.276 3.516 -8.142 1.00 0.00 O ATOM 0 H TYR A 36 9.069 6.626 -3.533 1.00 0.00 H new ATOM 0 HA TYR A 36 7.118 7.264 -2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.198 4.472 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.255 5.881 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 36 5.752 6.814 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.597 2.881 -3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.777 5.976 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.622 2.040 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 36 6.712 2.639 -8.175 1.00 0.00 H new ATOM 551 N ILE A 37 8.480 7.195 -0.413 1.00 0.00 N ATOM 552 CA ILE A 37 8.860 7.354 0.992 1.00 0.00 C ATOM 553 C ILE A 37 8.169 8.617 1.577 1.00 0.00 C ATOM 554 O ILE A 37 8.539 9.723 1.202 1.00 0.00 O ATOM 555 CB ILE A 37 10.404 7.509 1.018 1.00 0.00 C ATOM 556 CG1 ILE A 37 11.115 6.277 0.424 1.00 0.00 C ATOM 557 CG2 ILE A 37 10.937 7.801 2.423 1.00 0.00 C ATOM 558 CD1 ILE A 37 12.646 6.407 0.392 1.00 0.00 C ATOM 0 H ILE A 37 8.999 7.797 -1.053 1.00 0.00 H new ATOM 0 HA ILE A 37 8.551 6.499 1.594 1.00 0.00 H new ATOM 0 HB ILE A 37 10.630 8.371 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.846 5.396 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.751 6.112 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 37 12.022 7.901 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.499 8.728 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.670 6.982 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 37 13.079 5.504 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 37 12.925 7.268 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.021 6.541 1.407 1.00 0.00 H new ATOM 570 N PRO A 38 7.172 8.469 2.508 1.00 0.00 N ATOM 571 CA PRO A 38 6.406 9.619 3.001 1.00 0.00 C ATOM 572 C PRO A 38 7.188 10.828 3.536 1.00 0.00 C ATOM 573 O PRO A 38 6.711 11.952 3.460 1.00 0.00 O ATOM 574 CB PRO A 38 5.509 9.067 4.125 1.00 0.00 C ATOM 575 CG PRO A 38 5.925 7.609 4.321 1.00 0.00 C ATOM 576 CD PRO A 38 6.695 7.210 3.061 1.00 0.00 C ATOM 0 HA PRO A 38 5.884 10.032 2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.641 9.637 5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.456 9.139 3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.548 7.498 5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.052 6.971 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.523 6.542 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.053 6.684 2.354 1.00 0.00 H new ATOM 584 N SER A 39 8.422 10.588 4.027 1.00 0.00 N ATOM 585 CA SER A 39 9.209 11.718 4.523 1.00 0.00 C ATOM 586 C SER A 39 9.598 12.725 3.408 1.00 0.00 C ATOM 587 O SER A 39 10.165 13.773 3.684 1.00 0.00 O ATOM 588 CB SER A 39 10.442 11.226 5.313 1.00 0.00 C ATOM 589 OG SER A 39 11.077 10.069 4.763 1.00 0.00 O ATOM 0 H SER A 39 8.869 9.673 4.087 1.00 0.00 H new ATOM 0 HA SER A 39 8.568 12.272 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.171 12.035 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.138 11.006 6.336 1.00 0.00 H new ATOM 0 HG SER A 39 10.563 9.269 5.002 1.00 0.00 H new ATOM 595 N LYS A 40 9.287 12.347 2.151 1.00 0.00 N ATOM 596 CA LYS A 40 9.610 13.135 0.966 1.00 0.00 C ATOM 597 C LYS A 40 8.326 13.705 0.336 1.00 0.00 C ATOM 598 O LYS A 40 8.362 14.284 -0.742 1.00 0.00 O ATOM 599 CB LYS A 40 10.317 12.206 -0.050 1.00 0.00 C ATOM 600 CG LYS A 40 11.764 11.794 0.317 1.00 0.00 C ATOM 601 CD LYS A 40 11.919 11.251 1.746 1.00 0.00 C ATOM 602 CE LYS A 40 13.204 10.483 2.046 1.00 0.00 C ATOM 603 NZ LYS A 40 13.230 10.114 3.465 1.00 0.00 N ATOM 0 H LYS A 40 8.800 11.476 1.939 1.00 0.00 H new ATOM 0 HA LYS A 40 10.257 13.968 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.719 11.302 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.334 12.704 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.104 11.035 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.418 12.657 0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.853 12.090 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.073 10.596 1.956 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.260 9.589 1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.072 11.095 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.513 9.118 3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.912 10.717 3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.284 10.246 3.875 1.00 0.00 H new ATOM 617 N PHE A 41 7.197 13.506 1.046 1.00 0.00 N ATOM 618 CA PHE A 41 5.911 13.970 0.545 1.00 0.00 C ATOM 619 C PHE A 41 5.274 14.933 1.563 1.00 0.00 C ATOM 620 O PHE A 41 4.883 14.519 2.644 1.00 0.00 O ATOM 621 CB PHE A 41 4.962 12.780 0.339 1.00 0.00 C ATOM 622 CG PHE A 41 5.360 11.950 -0.852 1.00 0.00 C ATOM 623 CD1 PHE A 41 6.328 10.964 -0.738 1.00 0.00 C ATOM 624 CD2 PHE A 41 4.767 12.162 -2.092 1.00 0.00 C ATOM 625 CE1 PHE A 41 6.693 10.195 -1.832 1.00 0.00 C ATOM 626 CE2 PHE A 41 5.126 11.392 -3.191 1.00 0.00 C ATOM 627 CZ PHE A 41 6.090 10.405 -3.063 1.00 0.00 C ATOM 0 H PHE A 41 7.160 13.035 1.950 1.00 0.00 H new ATOM 0 HA PHE A 41 6.073 14.480 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.961 12.156 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.944 13.146 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.804 10.793 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.019 12.934 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.449 9.431 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 41 4.653 11.563 -4.147 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.370 9.804 -3.915 1.00 0.00 H new ATOM 637 N PRO A 42 5.089 16.229 1.169 1.00 0.00 N ATOM 638 CA PRO A 42 4.151 17.087 1.901 1.00 0.00 C ATOM 639 C PRO A 42 2.677 16.644 1.707 1.00 0.00 C ATOM 640 O PRO A 42 1.764 17.096 2.396 1.00 0.00 O ATOM 641 CB PRO A 42 4.403 18.487 1.323 1.00 0.00 C ATOM 642 CG PRO A 42 5.024 18.250 -0.058 1.00 0.00 C ATOM 643 CD PRO A 42 5.749 16.906 0.049 1.00 0.00 C ATOM 0 HA PRO A 42 4.309 17.042 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.475 19.053 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.074 19.061 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.259 18.223 -0.834 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.716 19.050 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.659 16.331 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.814 17.042 0.238 1.00 0.00 H new ATOM 651 N ASN A 43 2.510 15.695 0.759 1.00 0.00 N ATOM 652 CA ASN A 43 1.225 15.065 0.479 1.00 0.00 C ATOM 653 C ASN A 43 0.858 14.168 1.690 1.00 0.00 C ATOM 654 O ASN A 43 1.448 14.279 2.760 1.00 0.00 O ATOM 655 CB ASN A 43 1.380 14.276 -0.841 1.00 0.00 C ATOM 656 CG ASN A 43 0.034 13.936 -1.489 1.00 0.00 C ATOM 657 OD1 ASN A 43 -0.565 12.909 -1.205 1.00 0.00 O ATOM 658 ND2 ASN A 43 -0.415 14.848 -2.357 1.00 0.00 N ATOM 0 H ASN A 43 3.271 15.352 0.172 1.00 0.00 H new ATOM 0 HA ASN A 43 0.413 15.781 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.978 14.860 -1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.928 13.354 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.309 14.707 -2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.136 15.685 -2.549 1.00 0.00 H new ATOM 665 N LYS A 44 -0.148 13.303 1.518 1.00 0.00 N ATOM 666 CA LYS A 44 -0.517 12.380 2.586 1.00 0.00 C ATOM 667 C LYS A 44 -1.016 11.076 1.946 1.00 0.00 C ATOM 668 O LYS A 44 -1.950 10.418 2.402 1.00 0.00 O ATOM 669 CB LYS A 44 -1.461 13.015 3.628 1.00 0.00 C ATOM 670 CG LYS A 44 -2.484 14.040 3.099 1.00 0.00 C ATOM 671 CD LYS A 44 -1.970 15.485 2.913 1.00 0.00 C ATOM 672 CE LYS A 44 -1.269 16.077 4.150 1.00 0.00 C ATOM 673 NZ LYS A 44 0.197 16.004 4.127 1.00 0.00 N ATOM 0 H LYS A 44 -0.707 13.226 0.668 1.00 0.00 H new ATOM 0 HA LYS A 44 0.356 12.131 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.008 12.214 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.851 13.504 4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.860 13.684 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.331 14.064 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.276 15.505 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.811 16.125 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.564 17.121 4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.630 15.557 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.576 16.347 5.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.493 15.018 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.562 16.595 3.353 1.00 0.00 H new ATOM 687 N ASN A 45 -0.299 10.771 0.846 1.00 0.00 N ATOM 688 CA ASN A 45 -0.522 9.578 0.050 1.00 0.00 C ATOM 689 C ASN A 45 -0.047 8.351 0.836 1.00 0.00 C ATOM 690 O ASN A 45 -0.849 7.490 1.176 1.00 0.00 O ATOM 691 CB ASN A 45 0.129 9.671 -1.354 1.00 0.00 C ATOM 692 CG ASN A 45 1.614 10.106 -1.334 1.00 0.00 C ATOM 693 OD1 ASN A 45 2.111 10.618 -0.339 1.00 0.00 O ATOM 694 ND2 ASN A 45 2.311 9.866 -2.455 1.00 0.00 N ATOM 0 H ASN A 45 0.455 11.360 0.494 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.591 9.480 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.052 8.700 -1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.438 10.378 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.300 10.112 -2.503 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.852 9.437 -3.259 1.00 0.00 H new ATOM 701 N LEU A 46 1.272 8.301 1.102 1.00 0.00 N ATOM 702 CA LEU A 46 1.790 7.165 1.856 1.00 0.00 C ATOM 703 C LEU A 46 1.411 7.356 3.327 1.00 0.00 C ATOM 704 O LEU A 46 1.084 8.451 3.768 1.00 0.00 O ATOM 705 CB LEU A 46 3.303 6.976 1.662 1.00 0.00 C ATOM 706 CG LEU A 46 3.763 6.675 0.218 1.00 0.00 C ATOM 707 CD1 LEU A 46 2.673 6.076 -0.689 1.00 0.00 C ATOM 708 CD2 LEU A 46 4.438 7.898 -0.417 1.00 0.00 C ATOM 0 H LEU A 46 1.960 8.999 0.820 1.00 0.00 H new ATOM 0 HA LEU A 46 1.340 6.245 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.810 7.878 2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.634 6.161 2.306 1.00 0.00 H new ATOM 0 HG LEU A 46 4.507 5.883 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.084 5.897 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.324 5.134 -0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.837 6.772 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.751 7.655 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.734 8.729 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.310 8.180 0.173 1.00 0.00 H new ATOM 720 N LYS A 47 1.412 6.209 4.029 1.00 0.00 N ATOM 721 CA LYS A 47 0.990 6.185 5.421 1.00 0.00 C ATOM 722 C LYS A 47 1.937 5.243 6.175 1.00 0.00 C ATOM 723 O LYS A 47 3.118 5.186 5.862 1.00 0.00 O ATOM 724 CB LYS A 47 -0.494 5.762 5.405 1.00 0.00 C ATOM 725 CG LYS A 47 -1.373 6.545 6.393 1.00 0.00 C ATOM 726 CD LYS A 47 -2.586 7.163 5.681 1.00 0.00 C ATOM 727 CE LYS A 47 -2.227 8.342 4.755 1.00 0.00 C ATOM 728 NZ LYS A 47 -3.309 8.725 3.847 1.00 0.00 N ATOM 0 H LYS A 47 1.697 5.305 3.653 1.00 0.00 H new ATOM 0 HA LYS A 47 1.049 7.140 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.889 5.895 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.562 4.699 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.713 5.881 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.784 7.332 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.084 6.391 5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.300 7.505 6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.955 9.203 5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.348 8.077 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.038 9.584 3.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.486 7.953 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.173 8.910 4.395 1.00 0.00 H new ATOM 742 N LYS A 48 1.352 4.483 7.131 1.00 0.00 N ATOM 743 CA LYS A 48 2.122 3.469 7.858 1.00 0.00 C ATOM 744 C LYS A 48 2.581 2.395 6.843 1.00 0.00 C ATOM 745 O LYS A 48 3.630 2.514 6.229 1.00 0.00 O ATOM 746 CB LYS A 48 1.318 2.859 9.034 1.00 0.00 C ATOM 747 CG LYS A 48 1.179 3.787 10.258 1.00 0.00 C ATOM 748 CD LYS A 48 0.199 4.964 10.116 1.00 0.00 C ATOM 749 CE LYS A 48 -1.254 4.537 9.877 1.00 0.00 C ATOM 750 NZ LYS A 48 -1.820 3.721 10.954 1.00 0.00 N ATOM 0 H LYS A 48 0.372 4.556 7.406 1.00 0.00 H new ATOM 0 HA LYS A 48 2.995 3.932 8.317 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.322 2.594 8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.801 1.934 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.867 3.184 11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.164 4.189 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.245 5.573 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.523 5.596 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.868 5.429 9.750 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.308 3.977 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.683 3.250 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.126 3.004 11.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.053 4.329 11.765 1.00 0.00 H new ATOM 764 N ASN A 49 1.723 1.375 6.667 1.00 0.00 N ATOM 765 CA ASN A 49 1.957 0.307 5.690 1.00 0.00 C ATOM 766 C ASN A 49 0.742 0.122 4.760 1.00 0.00 C ATOM 767 O ASN A 49 0.783 -0.650 3.811 1.00 0.00 O ATOM 768 CB ASN A 49 2.375 -0.986 6.421 1.00 0.00 C ATOM 769 CG ASN A 49 1.302 -1.507 7.393 1.00 0.00 C ATOM 770 OD1 ASN A 49 0.428 -0.768 7.840 1.00 0.00 O ATOM 771 ND2 ASN A 49 1.403 -2.824 7.636 1.00 0.00 N ATOM 0 H ASN A 49 0.856 1.271 7.195 1.00 0.00 H new ATOM 0 HA ASN A 49 2.783 0.587 5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.593 -1.758 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.297 -0.802 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.719 -3.286 8.235 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.164 -3.362 7.222 1.00 0.00 H new ATOM 778 N TYR A 50 -0.338 0.862 5.083 1.00 0.00 N ATOM 779 CA TYR A 50 -1.618 0.788 4.365 1.00 0.00 C ATOM 780 C TYR A 50 -1.444 0.775 2.841 1.00 0.00 C ATOM 781 O TYR A 50 -0.638 1.504 2.286 1.00 0.00 O ATOM 782 CB TYR A 50 -2.503 1.998 4.691 1.00 0.00 C ATOM 783 CG TYR A 50 -2.889 2.166 6.136 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.698 1.182 7.107 1.00 0.00 C ATOM 785 CD2 TYR A 50 -3.485 3.365 6.505 1.00 0.00 C ATOM 786 CE1 TYR A 50 -3.095 1.402 8.417 1.00 0.00 C ATOM 787 CE2 TYR A 50 -3.892 3.584 7.810 1.00 0.00 C ATOM 788 CZ TYR A 50 -3.697 2.601 8.764 1.00 0.00 C ATOM 789 OH TYR A 50 -4.106 2.828 10.060 1.00 0.00 O ATOM 0 H TYR A 50 -0.342 1.530 5.854 1.00 0.00 H new ATOM 0 HA TYR A 50 -2.076 -0.145 4.693 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.984 2.900 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.415 1.926 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.238 0.243 6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.633 4.137 5.764 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.935 0.640 9.166 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.360 4.519 8.082 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.084 2.791 10.106 1.00 0.00 H new ATOM 799 N CYS A 51 -2.260 -0.075 2.207 1.00 0.00 N ATOM 800 CA CYS A 51 -2.215 -0.184 0.756 1.00 0.00 C ATOM 801 C CYS A 51 -2.605 1.149 0.086 1.00 0.00 C ATOM 802 O CYS A 51 -3.606 1.754 0.445 1.00 0.00 O ATOM 803 CB CYS A 51 -3.183 -1.301 0.399 1.00 0.00 C ATOM 804 SG CYS A 51 -2.988 -2.668 1.558 1.00 0.00 S ATOM 0 H CYS A 51 -2.940 -0.680 2.667 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.210 -0.408 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.208 -0.930 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.997 -1.645 -0.618 1.00 0.00 H new ATOM 809 N ARG A 52 -1.768 1.578 -0.878 1.00 0.00 N ATOM 810 CA ARG A 52 -1.986 2.832 -1.590 1.00 0.00 C ATOM 811 C ARG A 52 -1.987 2.570 -3.102 1.00 0.00 C ATOM 812 O ARG A 52 -1.964 1.437 -3.569 1.00 0.00 O ATOM 813 CB ARG A 52 -0.939 3.888 -1.165 1.00 0.00 C ATOM 814 CG ARG A 52 -1.003 4.243 0.324 1.00 0.00 C ATOM 815 CD ARG A 52 -2.354 4.829 0.752 1.00 0.00 C ATOM 816 NE ARG A 52 -2.703 5.959 -0.106 1.00 0.00 N ATOM 817 CZ ARG A 52 -3.699 5.973 -1.019 1.00 0.00 C ATOM 818 NH1 ARG A 52 -4.627 5.026 -1.020 1.00 0.00 N ATOM 819 NH2 ARG A 52 -3.729 6.953 -1.913 1.00 0.00 N ATOM 0 H ARG A 52 -0.937 1.067 -1.175 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.961 3.243 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.058 3.515 -1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.087 4.793 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.801 3.348 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.215 4.960 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.127 4.063 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.306 5.152 1.792 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.148 6.809 -0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.593 4.278 -0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.375 5.045 -1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.009 7.676 -1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.472 6.984 -2.612 1.00 0.00 H new ATOM 833 N ASN A 53 -2.049 3.713 -3.819 1.00 0.00 N ATOM 834 CA ASN A 53 -2.137 3.730 -5.272 1.00 0.00 C ATOM 835 C ASN A 53 -1.181 4.805 -5.855 1.00 0.00 C ATOM 836 O ASN A 53 -1.621 5.673 -6.594 1.00 0.00 O ATOM 837 CB ASN A 53 -3.625 4.042 -5.603 1.00 0.00 C ATOM 838 CG ASN A 53 -4.528 2.842 -5.269 1.00 0.00 C ATOM 839 OD1 ASN A 53 -4.832 2.596 -4.111 1.00 0.00 O ATOM 840 ND2 ASN A 53 -4.949 2.116 -6.316 1.00 0.00 N ATOM 0 H ASN A 53 -2.039 4.641 -3.396 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.835 2.780 -5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.951 4.915 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.722 4.291 -6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.556 1.310 -6.167 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.662 2.370 -7.261 1.00 0.00 H new ATOM 847 N PRO A 54 0.156 4.758 -5.549 1.00 0.00 N ATOM 848 CA PRO A 54 1.064 5.794 -6.069 1.00 0.00 C ATOM 849 C PRO A 54 1.081 5.929 -7.609 1.00 0.00 C ATOM 850 O PRO A 54 1.009 7.020 -8.168 1.00 0.00 O ATOM 851 CB PRO A 54 2.452 5.387 -5.551 1.00 0.00 C ATOM 852 CG PRO A 54 2.202 4.397 -4.416 1.00 0.00 C ATOM 853 CD PRO A 54 0.841 3.771 -4.712 1.00 0.00 C ATOM 0 HA PRO A 54 0.733 6.775 -5.729 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.046 4.931 -6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.007 6.256 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.983 3.638 -4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.200 4.901 -3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.947 2.817 -5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.286 3.576 -3.794 1.00 0.00 H new ATOM 861 N ASP A 55 1.101 4.737 -8.236 1.00 0.00 N ATOM 862 CA ASP A 55 1.047 4.602 -9.691 1.00 0.00 C ATOM 863 C ASP A 55 -0.398 4.287 -10.135 1.00 0.00 C ATOM 864 O ASP A 55 -0.671 3.943 -11.276 1.00 0.00 O ATOM 865 CB ASP A 55 1.999 3.463 -10.114 1.00 0.00 C ATOM 866 CG ASP A 55 1.592 2.091 -9.541 1.00 0.00 C ATOM 867 OD1 ASP A 55 1.684 1.897 -8.334 1.00 0.00 O ATOM 868 OD2 ASP A 55 1.212 1.197 -10.293 1.00 0.00 O ATOM 0 H ASP A 55 1.155 3.846 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 55 1.356 5.533 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.023 3.403 -11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.010 3.702 -9.785 1.00 0.00 H new ATOM 873 N ARG A 56 -1.283 4.408 -9.125 1.00 0.00 N ATOM 874 CA ARG A 56 -2.705 4.132 -9.174 1.00 0.00 C ATOM 875 C ARG A 56 -3.096 2.976 -10.093 1.00 0.00 C ATOM 876 O ARG A 56 -3.784 3.090 -11.099 1.00 0.00 O ATOM 877 CB ARG A 56 -3.585 5.381 -9.249 1.00 0.00 C ATOM 878 CG ARG A 56 -3.155 6.400 -10.320 1.00 0.00 C ATOM 879 CD ARG A 56 -2.153 7.433 -9.778 1.00 0.00 C ATOM 880 NE ARG A 56 -2.774 8.112 -8.650 1.00 0.00 N ATOM 881 CZ ARG A 56 -2.139 8.711 -7.626 1.00 0.00 C ATOM 882 NH1 ARG A 56 -0.813 8.787 -7.572 1.00 0.00 N ATOM 883 NH2 ARG A 56 -2.885 9.219 -6.655 1.00 0.00 N ATOM 0 H ARG A 56 -0.989 4.722 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.944 3.732 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.612 5.075 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.581 5.872 -8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.708 5.871 -11.162 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.036 6.917 -10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.231 6.943 -9.467 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.887 8.150 -10.555 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.794 8.136 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.248 8.385 -8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.360 9.248 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.901 9.147 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.443 9.681 -5.861 1.00 0.00 H new ATOM 897 N GLU A 57 -2.626 1.842 -9.555 1.00 0.00 N ATOM 898 CA GLU A 57 -2.937 0.528 -10.058 1.00 0.00 C ATOM 899 C GLU A 57 -4.383 0.261 -9.627 1.00 0.00 C ATOM 900 O GLU A 57 -4.975 1.066 -8.914 1.00 0.00 O ATOM 901 CB GLU A 57 -1.893 -0.396 -9.429 1.00 0.00 C ATOM 902 CG GLU A 57 -2.081 -1.899 -9.666 1.00 0.00 C ATOM 903 CD GLU A 57 -0.730 -2.587 -9.489 1.00 0.00 C ATOM 904 OE1 GLU A 57 -0.059 -2.350 -8.489 1.00 0.00 O ATOM 905 OE2 GLU A 57 -0.297 -3.306 -10.381 1.00 0.00 O ATOM 0 H GLU A 57 -2.009 1.829 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.890 0.390 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.912 -0.111 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.883 -0.218 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.809 -2.306 -8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.470 -2.079 -10.668 1.00 0.00 H new ATOM 912 N LEU A 58 -4.923 -0.872 -10.109 1.00 0.00 N ATOM 913 CA LEU A 58 -6.306 -1.192 -9.786 1.00 0.00 C ATOM 914 C LEU A 58 -6.448 -1.455 -8.277 1.00 0.00 C ATOM 915 O LEU A 58 -6.940 -0.631 -7.524 1.00 0.00 O ATOM 916 CB LEU A 58 -6.783 -2.361 -10.670 1.00 0.00 C ATOM 917 CG LEU A 58 -8.224 -2.828 -10.386 1.00 0.00 C ATOM 918 CD1 LEU A 58 -9.243 -1.686 -10.504 1.00 0.00 C ATOM 919 CD2 LEU A 58 -8.605 -3.991 -11.310 1.00 0.00 C ATOM 0 H LEU A 58 -4.440 -1.550 -10.698 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.959 -0.347 -10.007 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.710 -2.063 -11.716 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.107 -3.205 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.251 -3.173 -9.352 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.243 -2.067 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.996 -0.902 -9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.215 -1.276 -11.514 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.626 -4.307 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.537 -3.668 -12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.924 -4.826 -11.144 1.00 0.00 H new ATOM 931 N ARG A 59 -6.004 -2.660 -7.890 1.00 0.00 N ATOM 932 CA ARG A 59 -6.097 -3.057 -6.495 1.00 0.00 C ATOM 933 C ARG A 59 -5.036 -2.255 -5.696 1.00 0.00 C ATOM 934 O ARG A 59 -3.908 -2.116 -6.155 1.00 0.00 O ATOM 935 CB ARG A 59 -5.876 -4.582 -6.500 1.00 0.00 C ATOM 936 CG ARG A 59 -6.283 -5.350 -5.242 1.00 0.00 C ATOM 937 CD ARG A 59 -6.252 -6.866 -5.508 1.00 0.00 C ATOM 938 NE ARG A 59 -6.824 -7.595 -4.385 1.00 0.00 N ATOM 939 CZ ARG A 59 -7.069 -8.924 -4.428 1.00 0.00 C ATOM 940 NH1 ARG A 59 -6.657 -9.633 -5.475 1.00 0.00 N ATOM 941 NH2 ARG A 59 -7.718 -9.532 -3.439 1.00 0.00 N ATOM 0 H ARG A 59 -5.589 -3.354 -8.512 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.052 -2.843 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.425 -5.000 -7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.818 -4.770 -6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.607 -5.104 -4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.283 -5.049 -4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.809 -7.093 -6.417 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.225 -7.191 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.049 -7.083 -3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.160 -9.174 -6.238 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.838 -10.636 -5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.039 -8.995 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.895 -10.535 -3.486 1.00 0.00 H new ATOM 955 N PRO A 61 -5.413 -1.718 -4.499 1.00 0.00 N ATOM 956 CA PRO A 61 -4.477 -0.932 -3.688 1.00 0.00 C ATOM 957 C PRO A 61 -3.361 -1.876 -3.215 1.00 0.00 C ATOM 958 O PRO A 61 -3.653 -2.983 -2.784 1.00 0.00 O ATOM 959 CB PRO A 61 -5.337 -0.408 -2.527 1.00 0.00 C ATOM 960 CG PRO A 61 -6.511 -1.381 -2.426 1.00 0.00 C ATOM 961 CD PRO A 61 -6.715 -1.906 -3.853 1.00 0.00 C ATOM 0 HA PRO A 61 -3.995 -0.105 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.768 -0.379 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.683 0.607 -2.720 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.291 -2.194 -1.734 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.407 -0.882 -2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.011 -2.955 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.499 -1.354 -4.371 1.00 0.00 H new ATOM 969 N TRP A 62 -2.095 -1.438 -3.359 1.00 0.00 N ATOM 970 CA TRP A 62 -0.961 -2.306 -3.028 1.00 0.00 C ATOM 971 C TRP A 62 -0.027 -1.626 -2.014 1.00 0.00 C ATOM 972 O TRP A 62 -0.079 -0.424 -1.793 1.00 0.00 O ATOM 973 CB TRP A 62 -0.219 -2.650 -4.340 1.00 0.00 C ATOM 974 CG TRP A 62 0.425 -1.436 -4.967 1.00 0.00 C ATOM 975 CD1 TRP A 62 -0.145 -0.608 -5.935 1.00 0.00 C ATOM 976 CD2 TRP A 62 1.726 -0.893 -4.670 1.00 0.00 C ATOM 977 NE1 TRP A 62 0.723 0.394 -6.221 1.00 0.00 N ATOM 978 CE2 TRP A 62 1.878 0.265 -5.459 1.00 0.00 C ATOM 979 CE3 TRP A 62 2.734 -1.291 -3.836 1.00 0.00 C ATOM 980 CZ2 TRP A 62 3.024 1.006 -5.366 1.00 0.00 C ATOM 981 CZ3 TRP A 62 3.906 -0.548 -3.741 1.00 0.00 C ATOM 982 CH2 TRP A 62 4.047 0.608 -4.502 1.00 0.00 C ATOM 0 H TRP A 62 -1.841 -0.509 -3.695 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.316 -3.224 -2.559 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.545 -3.400 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -0.921 -3.093 -5.047 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.118 -0.743 -6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.552 1.137 -6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.619 -2.189 -3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.138 1.900 -5.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.700 -0.866 -3.082 1.00 0.00 H new ATOM 0 HH2 TRP A 62 4.948 1.198 -4.425 1.00 0.00 H new ATOM 993 N CYS A 63 0.862 -2.460 -1.454 1.00 0.00 N ATOM 994 CA CYS A 63 1.913 -1.958 -0.574 1.00 0.00 C ATOM 995 C CYS A 63 3.088 -2.938 -0.691 1.00 0.00 C ATOM 996 O CYS A 63 2.966 -4.021 -1.256 1.00 0.00 O ATOM 997 CB CYS A 63 1.435 -1.704 0.870 1.00 0.00 C ATOM 998 SG CYS A 63 0.233 -2.893 1.506 1.00 0.00 S ATOM 0 H CYS A 63 0.870 -3.470 -1.595 1.00 0.00 H new ATOM 0 HA CYS A 63 2.234 -0.964 -0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.304 -1.704 1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 63 0.997 -0.707 0.920 1.00 0.00 H new ATOM 1003 N PHE A 64 4.244 -2.466 -0.186 1.00 0.00 N ATOM 1004 CA PHE A 64 5.445 -3.292 -0.218 1.00 0.00 C ATOM 1005 C PHE A 64 5.306 -4.382 0.844 1.00 0.00 C ATOM 1006 O PHE A 64 4.622 -4.179 1.836 1.00 0.00 O ATOM 1007 CB PHE A 64 6.681 -2.436 0.072 1.00 0.00 C ATOM 1008 CG PHE A 64 6.958 -1.452 -1.031 1.00 0.00 C ATOM 1009 CD1 PHE A 64 7.459 -1.897 -2.250 1.00 0.00 C ATOM 1010 CD2 PHE A 64 6.733 -0.091 -0.849 1.00 0.00 C ATOM 1011 CE1 PHE A 64 7.739 -0.999 -3.269 1.00 0.00 C ATOM 1012 CE2 PHE A 64 7.024 0.810 -1.865 1.00 0.00 C ATOM 1013 CZ PHE A 64 7.532 0.355 -3.074 1.00 0.00 C ATOM 0 H PHE A 64 4.362 -1.544 0.235 1.00 0.00 H new ATOM 0 HA PHE A 64 5.562 -3.741 -1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.538 -1.899 1.009 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.547 -3.084 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.632 -2.952 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.330 0.267 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.119 -1.357 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.855 1.866 -1.714 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.765 1.057 -3.861 1.00 0.00 H new ATOM 1023 N THR A 65 5.975 -5.525 0.608 1.00 0.00 N ATOM 1024 CA THR A 65 5.898 -6.622 1.569 1.00 0.00 C ATOM 1025 C THR A 65 7.175 -6.614 2.411 1.00 0.00 C ATOM 1026 O THR A 65 8.142 -5.924 2.110 1.00 0.00 O ATOM 1027 CB THR A 65 5.671 -7.978 0.862 1.00 0.00 C ATOM 1028 OG1 THR A 65 6.857 -8.730 0.695 1.00 0.00 O ATOM 1029 CG2 THR A 65 4.885 -7.856 -0.457 1.00 0.00 C ATOM 0 H THR A 65 6.554 -5.704 -0.212 1.00 0.00 H new ATOM 0 HA THR A 65 5.038 -6.482 2.224 1.00 0.00 H new ATOM 0 HB THR A 65 5.040 -8.542 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.218 -8.577 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.762 -8.844 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.905 -7.423 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.431 -7.214 -1.148 1.00 0.00 H new ATOM 1037 N THR A 66 7.128 -7.432 3.474 1.00 0.00 N ATOM 1038 CA THR A 66 8.287 -7.560 4.339 1.00 0.00 C ATOM 1039 C THR A 66 9.357 -8.479 3.713 1.00 0.00 C ATOM 1040 O THR A 66 10.487 -8.528 4.182 1.00 0.00 O ATOM 1041 CB THR A 66 7.776 -8.110 5.678 1.00 0.00 C ATOM 1042 OG1 THR A 66 6.904 -9.202 5.436 1.00 0.00 O ATOM 1043 CG2 THR A 66 6.960 -7.057 6.438 1.00 0.00 C ATOM 0 H THR A 66 6.321 -7.995 3.742 1.00 0.00 H new ATOM 0 HA THR A 66 8.775 -6.596 4.483 1.00 0.00 H new ATOM 0 HB THR A 66 8.647 -8.404 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.578 -9.556 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.612 -7.477 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.585 -6.186 6.637 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.102 -6.758 5.836 1.00 0.00 H new ATOM 1051 N ASP A 67 8.943 -9.216 2.658 1.00 0.00 N ATOM 1052 CA ASP A 67 9.870 -10.127 1.999 1.00 0.00 C ATOM 1053 C ASP A 67 10.691 -9.346 0.940 1.00 0.00 C ATOM 1054 O ASP A 67 10.120 -8.736 0.044 1.00 0.00 O ATOM 1055 CB ASP A 67 9.095 -11.276 1.339 1.00 0.00 C ATOM 1056 CG ASP A 67 10.079 -12.213 0.626 1.00 0.00 C ATOM 1057 OD1 ASP A 67 10.863 -12.888 1.284 1.00 0.00 O ATOM 1058 OD2 ASP A 67 10.091 -12.227 -0.596 1.00 0.00 O ATOM 0 H ASP A 67 8.002 -9.193 2.264 1.00 0.00 H new ATOM 0 HA ASP A 67 10.552 -10.551 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.531 -11.828 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.372 -10.879 0.626 1.00 0.00 H new ATOM 1063 N PRO A 68 12.053 -9.394 1.039 1.00 0.00 N ATOM 1064 CA PRO A 68 12.911 -8.735 0.050 1.00 0.00 C ATOM 1065 C PRO A 68 12.812 -9.196 -1.421 1.00 0.00 C ATOM 1066 O PRO A 68 13.418 -8.590 -2.294 1.00 0.00 O ATOM 1067 CB PRO A 68 14.343 -9.012 0.545 1.00 0.00 C ATOM 1068 CG PRO A 68 14.207 -9.408 2.015 1.00 0.00 C ATOM 1069 CD PRO A 68 12.806 -10.005 2.136 1.00 0.00 C ATOM 0 HA PRO A 68 12.596 -7.693 0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 68 14.809 -9.810 -0.033 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.972 -8.129 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 68 14.970 -10.132 2.301 1.00 0.00 H new ATOM 0 HG3 PRO A 68 14.326 -8.544 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.828 -11.091 2.046 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.358 -9.774 3.102 1.00 0.00 H new ATOM 1077 N ASN A 69 12.049 -10.284 -1.657 1.00 0.00 N ATOM 1078 CA ASN A 69 11.924 -10.821 -3.017 1.00 0.00 C ATOM 1079 C ASN A 69 10.607 -10.315 -3.609 1.00 0.00 C ATOM 1080 O ASN A 69 10.530 -9.854 -4.742 1.00 0.00 O ATOM 1081 CB ASN A 69 11.956 -12.365 -3.039 1.00 0.00 C ATOM 1082 CG ASN A 69 13.121 -12.944 -2.226 1.00 0.00 C ATOM 1083 OD1 ASN A 69 14.247 -13.026 -2.693 1.00 0.00 O ATOM 1084 ND2 ASN A 69 12.792 -13.357 -0.993 1.00 0.00 N ATOM 0 H ASN A 69 11.526 -10.791 -0.943 1.00 0.00 H new ATOM 0 HA ASN A 69 12.774 -10.480 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.016 -12.750 -2.644 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.032 -12.708 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.502 -13.768 -0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.832 -13.260 -0.662 1.00 0.00 H new ATOM 1091 N LYS A 70 9.571 -10.392 -2.755 1.00 0.00 N ATOM 1092 CA LYS A 70 8.263 -9.913 -3.157 1.00 0.00 C ATOM 1093 C LYS A 70 8.192 -8.439 -2.755 1.00 0.00 C ATOM 1094 O LYS A 70 7.648 -8.073 -1.725 1.00 0.00 O ATOM 1095 CB LYS A 70 7.161 -10.731 -2.461 1.00 0.00 C ATOM 1096 CG LYS A 70 5.776 -10.510 -3.099 1.00 0.00 C ATOM 1097 CD LYS A 70 5.624 -11.221 -4.460 1.00 0.00 C ATOM 1098 CE LYS A 70 5.393 -10.285 -5.656 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.142 -9.536 -5.580 1.00 0.00 N ATOM 0 H LYS A 70 9.623 -10.773 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 70 8.112 -10.023 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.414 -11.790 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.120 -10.458 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.005 -10.871 -2.418 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.609 -9.441 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.521 -11.812 -4.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.790 -11.920 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.224 -9.582 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.399 -10.873 -6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.985 -9.031 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.354 -10.193 -5.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.195 -8.850 -4.800 1.00 0.00 H new ATOM 1113 N ARG A 71 8.773 -7.625 -3.655 1.00 0.00 N ATOM 1114 CA ARG A 71 8.822 -6.179 -3.454 1.00 0.00 C ATOM 1115 C ARG A 71 7.420 -5.618 -3.128 1.00 0.00 C ATOM 1116 O ARG A 71 7.107 -5.303 -1.988 1.00 0.00 O ATOM 1117 CB ARG A 71 9.479 -5.548 -4.701 1.00 0.00 C ATOM 1118 CG ARG A 71 9.410 -4.013 -4.794 1.00 0.00 C ATOM 1119 CD ARG A 71 10.251 -3.480 -5.962 1.00 0.00 C ATOM 1120 NE ARG A 71 9.783 -2.157 -6.367 1.00 0.00 N ATOM 1121 CZ ARG A 71 10.539 -1.241 -7.011 1.00 0.00 C ATOM 1122 NH1 ARG A 71 11.825 -1.477 -7.256 1.00 0.00 N ATOM 1123 NH2 ARG A 71 9.980 -0.104 -7.407 1.00 0.00 N ATOM 0 H ARG A 71 9.209 -7.947 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 71 9.431 -5.921 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.527 -5.847 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.006 -5.968 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.373 -3.702 -4.920 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.763 -3.575 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.299 -3.427 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.190 -4.168 -6.805 1.00 0.00 H new ATOM 0 HE ARG A 71 8.818 -1.907 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.248 -2.356 -6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.388 -0.779 -7.743 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.992 0.069 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.539 0.596 -7.894 1.00 0.00 H new ATOM 1137 N TRP A 72 6.618 -5.484 -4.196 1.00 0.00 N ATOM 1138 CA TRP A 72 5.258 -4.979 -4.073 1.00 0.00 C ATOM 1139 C TRP A 72 4.262 -6.146 -4.133 1.00 0.00 C ATOM 1140 O TRP A 72 4.546 -7.193 -4.712 1.00 0.00 O ATOM 1141 CB TRP A 72 4.998 -3.921 -5.156 1.00 0.00 C ATOM 1142 CG TRP A 72 5.100 -4.472 -6.562 1.00 0.00 C ATOM 1143 CD1 TRP A 72 6.267 -4.693 -7.300 1.00 0.00 C ATOM 1144 CD2 TRP A 72 4.001 -4.743 -7.447 1.00 0.00 C ATOM 1145 NE1 TRP A 72 5.934 -5.068 -8.560 1.00 0.00 N ATOM 1146 CE2 TRP A 72 4.552 -5.106 -8.698 1.00 0.00 C ATOM 1147 CE3 TRP A 72 2.646 -4.657 -7.284 1.00 0.00 C ATOM 1148 CZ2 TRP A 72 3.723 -5.358 -9.759 1.00 0.00 C ATOM 1149 CZ3 TRP A 72 1.804 -4.914 -8.360 1.00 0.00 C ATOM 1150 CH2 TRP A 72 2.341 -5.255 -9.597 1.00 0.00 C ATOM 0 H TRP A 72 6.895 -5.720 -5.149 1.00 0.00 H new ATOM 0 HA TRP A 72 5.123 -4.492 -3.107 1.00 0.00 H new ATOM 0 HB2 TRP A 72 4.005 -3.497 -5.010 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.713 -3.107 -5.039 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.274 -4.583 -6.926 1.00 0.00 H new ATOM 0 HE1 TRP A 72 6.601 -5.290 -9.299 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.232 -4.390 -6.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.137 -5.635 -10.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.733 -4.849 -8.235 1.00 0.00 H new ATOM 0 HH2 TRP A 72 1.686 -5.441 -10.435 1.00 0.00 H new ATOM 1161 N GLU A 73 3.069 -5.898 -3.555 1.00 0.00 N ATOM 1162 CA GLU A 73 1.998 -6.878 -3.672 1.00 0.00 C ATOM 1163 C GLU A 73 0.659 -6.154 -3.490 1.00 0.00 C ATOM 1164 O GLU A 73 0.539 -5.219 -2.705 1.00 0.00 O ATOM 1165 CB GLU A 73 2.137 -8.022 -2.647 1.00 0.00 C ATOM 1166 CG GLU A 73 1.219 -9.229 -2.946 1.00 0.00 C ATOM 1167 CD GLU A 73 1.715 -9.957 -4.191 1.00 0.00 C ATOM 1168 OE1 GLU A 73 1.493 -9.488 -5.303 1.00 0.00 O ATOM 1169 OE2 GLU A 73 2.414 -10.956 -4.066 1.00 0.00 O ATOM 0 H GLU A 73 2.838 -5.058 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 73 2.053 -7.339 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.173 -8.359 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.908 -7.639 -1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.209 -9.910 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.194 -8.890 -3.095 1.00 0.00 H new ATOM 1176 N LEU A 74 -0.323 -6.630 -4.281 1.00 0.00 N ATOM 1177 CA LEU A 74 -1.666 -6.062 -4.199 1.00 0.00 C ATOM 1178 C LEU A 74 -2.308 -6.544 -2.888 1.00 0.00 C ATOM 1179 O LEU A 74 -2.091 -7.671 -2.468 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.548 -6.501 -5.380 1.00 0.00 C ATOM 1181 CG LEU A 74 -1.957 -6.319 -6.791 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -2.863 -6.994 -7.831 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -1.744 -4.844 -7.158 1.00 0.00 C ATOM 0 H LEU A 74 -0.210 -7.382 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.587 -4.975 -4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.794 -7.555 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.485 -5.946 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.976 -6.793 -6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.438 -6.860 -8.826 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.941 -8.058 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.855 -6.543 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.326 -4.776 -8.162 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.699 -4.320 -7.126 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.056 -4.388 -6.447 1.00 0.00 H new ATOM 1195 N CYS A 75 -3.089 -5.655 -2.266 1.00 0.00 N ATOM 1196 CA CYS A 75 -3.795 -5.980 -1.034 1.00 0.00 C ATOM 1197 C CYS A 75 -5.212 -6.454 -1.307 1.00 0.00 C ATOM 1198 O CYS A 75 -5.796 -6.174 -2.344 1.00 0.00 O ATOM 1199 CB CYS A 75 -3.882 -4.745 -0.158 1.00 0.00 C ATOM 1200 SG CYS A 75 -2.283 -4.127 0.350 1.00 0.00 S ATOM 0 H CYS A 75 -3.245 -4.704 -2.601 1.00 0.00 H new ATOM 0 HA CYS A 75 -3.239 -6.778 -0.541 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -4.412 -3.961 -0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -4.473 -4.977 0.728 1.00 0.00 H new ATOM 1205 N ASP A 76 -5.754 -7.132 -0.280 1.00 0.00 N ATOM 1206 CA ASP A 76 -7.160 -7.511 -0.343 1.00 0.00 C ATOM 1207 C ASP A 76 -7.891 -6.590 0.644 1.00 0.00 C ATOM 1208 O ASP A 76 -7.683 -6.645 1.848 1.00 0.00 O ATOM 1209 CB ASP A 76 -7.347 -8.997 -0.013 1.00 0.00 C ATOM 1210 CG ASP A 76 -8.799 -9.414 -0.280 1.00 0.00 C ATOM 1211 OD1 ASP A 76 -9.301 -9.077 -1.353 1.00 0.00 O ATOM 1212 OD2 ASP A 76 -9.402 -10.063 0.566 1.00 0.00 O ATOM 0 H ASP A 76 -5.259 -7.415 0.565 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.568 -7.390 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.670 -9.600 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.093 -9.181 1.031 1.00 0.00 H new ATOM 1217 N ILE A 77 -8.699 -5.701 0.039 1.00 0.00 N ATOM 1218 CA ILE A 77 -9.445 -4.675 0.759 1.00 0.00 C ATOM 1219 C ILE A 77 -10.939 -5.031 0.613 1.00 0.00 C ATOM 1220 O ILE A 77 -11.366 -5.496 -0.437 1.00 0.00 O ATOM 1221 CB ILE A 77 -9.113 -3.293 0.119 1.00 0.00 C ATOM 1222 CG1 ILE A 77 -7.915 -2.566 0.764 1.00 0.00 C ATOM 1223 CG2 ILE A 77 -10.296 -2.319 0.110 1.00 0.00 C ATOM 1224 CD1 ILE A 77 -6.702 -3.447 1.025 1.00 0.00 C ATOM 0 H ILE A 77 -8.848 -5.681 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 77 -9.187 -4.625 1.817 1.00 0.00 H new ATOM 0 HB ILE A 77 -8.854 -3.567 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -7.616 -1.742 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.239 -2.128 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.990 -1.379 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.119 -2.751 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.622 -2.133 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.910 -2.851 1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.979 -4.257 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -6.346 -3.865 0.083 1.00 0.00 H new ATOM 1236 N PRO A 78 -11.738 -4.764 1.683 1.00 0.00 N ATOM 1237 CA PRO A 78 -13.179 -4.958 1.608 1.00 0.00 C ATOM 1238 C PRO A 78 -13.841 -3.905 0.700 1.00 0.00 C ATOM 1239 O PRO A 78 -13.777 -2.700 0.924 1.00 0.00 O ATOM 1240 CB PRO A 78 -13.655 -4.810 3.058 1.00 0.00 C ATOM 1241 CG PRO A 78 -12.584 -3.954 3.739 1.00 0.00 C ATOM 1242 CD PRO A 78 -11.292 -4.256 2.978 1.00 0.00 C ATOM 0 HA PRO A 78 -13.443 -5.924 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -14.633 -4.331 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.752 -5.781 3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.834 -2.894 3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.489 -4.208 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.681 -3.361 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.684 -4.992 3.505 1.00 0.00 H new ATOM 1250 N ARG A 79 -14.492 -4.445 -0.339 1.00 0.00 N ATOM 1251 CA ARG A 79 -15.228 -3.590 -1.256 1.00 0.00 C ATOM 1252 C ARG A 79 -16.523 -3.159 -0.547 1.00 0.00 C ATOM 1253 O ARG A 79 -17.215 -3.994 0.025 1.00 0.00 O ATOM 1254 CB ARG A 79 -15.531 -4.394 -2.537 1.00 0.00 C ATOM 1255 CG ARG A 79 -15.751 -3.541 -3.798 1.00 0.00 C ATOM 1256 CD ARG A 79 -17.080 -2.787 -3.884 1.00 0.00 C ATOM 1257 NE ARG A 79 -17.007 -1.801 -4.945 1.00 0.00 N ATOM 1258 CZ ARG A 79 -17.993 -0.919 -5.203 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -19.110 -0.902 -4.479 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -17.804 -0.057 -6.195 1.00 0.00 N ATOM 0 H ARG A 79 -14.520 -5.441 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.659 -2.703 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.706 -5.082 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.420 -5.001 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.941 -2.815 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.670 -4.191 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.895 -3.485 -4.077 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.296 -2.299 -2.934 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.168 -1.774 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.231 -1.564 -3.713 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.844 -0.226 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.936 -0.078 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.527 0.626 -6.421 1.00 0.00 H new ATOM 1274 N CYS A 80 -16.842 -1.850 -0.624 1.00 0.00 N ATOM 1275 CA CYS A 80 -18.120 -1.395 -0.076 1.00 0.00 C ATOM 1276 C CYS A 80 -19.243 -2.113 -0.855 1.00 0.00 C ATOM 1277 O CYS A 80 -19.466 -1.857 -2.037 1.00 0.00 O ATOM 1278 CB CYS A 80 -18.274 0.121 -0.240 1.00 0.00 C ATOM 1279 SG CYS A 80 -16.975 1.111 0.540 1.00 0.00 S ATOM 0 H CYS A 80 -16.258 -1.125 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 80 -18.169 -1.625 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -18.299 0.355 -1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -19.236 0.420 0.175 1.00 0.00 H new ATOM 1284 N THR A 81 -19.866 -3.061 -0.142 1.00 0.00 N ATOM 1285 CA THR A 81 -20.864 -3.939 -0.728 1.00 0.00 C ATOM 1286 C THR A 81 -21.961 -4.221 0.318 1.00 0.00 C ATOM 1287 O THR A 81 -21.782 -3.840 1.478 1.00 0.00 O ATOM 1288 CB THR A 81 -20.143 -5.233 -1.172 1.00 0.00 C ATOM 1289 OG1 THR A 81 -19.312 -5.738 -0.143 1.00 0.00 O ATOM 1290 CG2 THR A 81 -19.291 -5.042 -2.440 1.00 0.00 C ATOM 1291 OXT THR A 81 -22.983 -4.803 -0.044 1.00 0.00 O ATOM 0 H THR A 81 -19.688 -3.233 0.848 1.00 0.00 H new ATOM 0 HA THR A 81 -21.346 -3.486 -1.595 1.00 0.00 H new ATOM 0 HB THR A 81 -20.937 -5.945 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.511 -5.179 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.811 -5.985 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 81 -19.930 -4.720 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.529 -4.285 -2.255 1.00 0.00 H new TER 1299 THR A 81 HETATM 1300 C1 AMH A 84 5.779 -0.628 -8.458 1.00 0.00 C HETATM 1301 C2 AMH A 84 5.166 0.463 -9.338 1.00 0.00 C HETATM 1302 C3 AMH A 84 4.097 -0.145 -10.242 1.00 0.00 C HETATM 1303 C4 AMH A 84 2.919 -0.726 -9.437 1.00 0.00 C HETATM 1304 C5 AMH A 84 3.471 -1.709 -8.408 1.00 0.00 C HETATM 1305 C6 AMH A 84 4.649 -1.169 -7.583 1.00 0.00 C HETATM 1306 C7 AMH A 84 1.908 -1.467 -10.342 1.00 0.00 C HETATM 1307 C8 AMH A 84 6.961 -0.087 -7.614 1.00 0.00 C HETATM 1308 N AMH A 84 2.583 -2.171 -11.432 1.00 0.00 N HETATM 1309 O1 AMH A 84 7.347 -0.719 -6.634 1.00 0.00 O HETATM 1310 O2 AMH A 84 7.530 0.953 -7.944 1.00 0.00 O HETATM 0 HN2 AMH A 84 2.038 -2.705 -12.109 1.00 0.00 H new HETATM 0 HN1 AMH A 84 3.599 -2.128 -11.515 1.00 0.00 H new HETATM 0 H72 AMH A 84 1.337 -2.179 -9.746 1.00 0.00 H new HETATM 0 H71 AMH A 84 1.195 -0.753 -10.754 1.00 0.00 H new HETATM 0 H62 AMH A 84 5.036 -1.964 -6.946 1.00 0.00 H new HETATM 0 H61 AMH A 84 4.294 -0.377 -6.924 1.00 0.00 H new HETATM 0 H52 AMH A 84 2.668 -1.994 -7.729 1.00 0.00 H new HETATM 0 H51 AMH A 84 3.789 -2.615 -8.923 1.00 0.00 H new HETATM 0 H4 AMH A 84 2.396 0.101 -8.956 1.00 0.00 H new HETATM 0 H32 AMH A 84 3.726 0.617 -10.927 1.00 0.00 H new HETATM 0 H31 AMH A 84 4.542 -0.932 -10.851 1.00 0.00 H new HETATM 0 H22 AMH A 84 4.728 1.243 -8.715 1.00 0.00 H new HETATM 0 H21 AMH A 84 5.941 0.935 -9.942 1.00 0.00 H new HETATM 0 H1 AMH A 84 6.204 -1.425 -9.068 1.00 0.00 H new