USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 LYS NZ :NH3+ 146:sc= 1.13 (180deg=-0.472) USER MOD Set 1.2: A 105 SER OG : rot 149:sc= 2.21 USER MOD Set 2.1: A 73 HIS : no HD1:sc= 0 X(o=-1.1,f=-1.3) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.4!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ 164:sc= 0.72 (180deg=-1.32) USER MOD Set 3.2: A 91 SER OG : rot -120:sc= 0.829 USER MOD Set 4.1: A 20 GLN :FLIP amide:sc= -0.0711 F(o=-2,f=-0.67) USER MOD Set 4.2: A 26 GLN :FLIP amide:sc= -0.602 F(o=-2.2,f=-0.67) USER MOD Set 5.1: A 8 HIS : no HE2:sc= 0.719 K(o=2,f=-6.3!) USER MOD Set 5.2: A 11 SER OG : rot -28:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0539 (180deg=-0.376) USER MOD Single : A 1 MET N :NH3+ -95:sc= 0.0451 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc=-0.00745 X(o=-0.0074,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 7 HIS : no HD1:sc= -0.253 K(o=-0.25,f=-0.84) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.51) USER MOD Single : A 12 SER OG : rot 74:sc= 0.272 USER MOD Single : A 16 ASN : amide:sc= 1.02 K(o=1,f=-0.29) USER MOD Single : A 18 TYR OH : rot -79:sc= 0.977 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= -0.4 USER MOD Single : A 27 LYS NZ :NH3+ -105:sc= -0.123 (180deg=-3.7!) USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= -2.91! (180deg=-5.03!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 87:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 1.18 (180deg=0.725) USER MOD Single : A 40 THR OG1 : rot 120:sc= -0.387 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -25:sc= 0.0315 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -100:sc= 0.595 USER MOD Single : A 61 SER OG : rot 93:sc= 0.922 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.21 F(o=-2.3!,f=-1.2) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.982 (180deg=-1.81!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.722 K(o=0.72,f=-0.57) USER MOD Single : A 86 ASN : amide:sc=-0.00848 X(o=-0.0085,f=-0.0085) USER MOD Single : A 88 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-1.8!) USER MOD Single : A 92 MET CE :methyl -145:sc= -0.0724 (180deg=-0.647) USER MOD Single : A 93 LYS NZ :NH3+ 156:sc= -0.208! (180deg=-0.853!) USER MOD Single : A 94 CYS SG : rot 41:sc= 0.136 USER MOD Single : A 95 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.023) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 83:sc= 0.568 USER MOD Single : A 102 LYS NZ :NH3+ 166:sc= 1.25 (180deg=1.14) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 1.29 (180deg=0.936) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.202 -7.676 -58.547 1.00 34.77 N ATOM 2 CA MET A 1 23.295 -7.493 -57.081 1.00 34.67 C ATOM 3 C MET A 1 22.211 -6.535 -56.605 1.00 34.12 C ATOM 4 O MET A 1 21.767 -5.670 -57.358 1.00 34.13 O ATOM 5 CB MET A 1 24.683 -6.963 -56.700 1.00 35.09 C ATOM 6 CG MET A 1 24.896 -6.816 -55.200 1.00 35.29 C ATOM 7 SD MET A 1 24.636 -8.365 -54.304 1.00 35.98 S ATOM 8 CE MET A 1 25.926 -9.390 -55.015 1.00 36.14 C ATOM 0 H1 MET A 1 22.639 -8.525 -58.756 1.00 34.77 H new ATOM 0 H2 MET A 1 22.745 -6.844 -58.972 1.00 34.77 H new ATOM 0 H3 MET A 1 24.157 -7.787 -58.944 1.00 34.77 H new ATOM 0 HA MET A 1 23.147 -8.457 -56.594 1.00 34.67 H new ATOM 0 HB2 MET A 1 25.441 -7.636 -57.101 1.00 35.09 H new ATOM 0 HB3 MET A 1 24.834 -5.994 -57.175 1.00 35.09 H new ATOM 0 HG2 MET A 1 25.909 -6.459 -55.014 1.00 35.29 H new ATOM 0 HG3 MET A 1 24.215 -6.058 -54.813 1.00 35.29 H new ATOM 0 HE1 MET A 1 26.073 -10.273 -54.393 1.00 36.14 H new ATOM 0 HE2 MET A 1 25.634 -9.698 -56.019 1.00 36.14 H new ATOM 0 HE3 MET A 1 26.855 -8.823 -55.065 1.00 36.14 H new ATOM 20 N GLY A 2 21.778 -6.703 -55.364 1.00 33.70 N ATOM 21 CA GLY A 2 20.760 -5.840 -54.805 1.00 33.20 C ATOM 22 C GLY A 2 20.176 -6.417 -53.537 1.00 32.51 C ATOM 23 O GLY A 2 20.913 -6.713 -52.591 1.00 32.38 O ATOM 0 H GLY A 2 22.117 -7.427 -54.731 1.00 33.70 H new ATOM 0 HA2 GLY A 2 21.188 -4.860 -54.596 1.00 33.20 H new ATOM 0 HA3 GLY A 2 19.966 -5.691 -55.537 1.00 33.20 H new ATOM 27 N SER A 3 18.855 -6.579 -53.523 1.00 32.14 N ATOM 28 CA SER A 3 18.146 -7.179 -52.394 1.00 31.53 C ATOM 29 C SER A 3 18.305 -6.346 -51.119 1.00 30.66 C ATOM 30 O SER A 3 18.189 -6.870 -50.011 1.00 30.36 O ATOM 31 CB SER A 3 18.655 -8.606 -52.160 1.00 31.79 C ATOM 32 OG SER A 3 18.580 -9.373 -53.350 1.00 32.35 O ATOM 0 H SER A 3 18.246 -6.299 -54.292 1.00 32.14 H new ATOM 0 HA SER A 3 17.084 -7.206 -52.640 1.00 31.53 H new ATOM 0 HB2 SER A 3 19.686 -8.575 -51.807 1.00 31.79 H new ATOM 0 HB3 SER A 3 18.065 -9.083 -51.378 1.00 31.79 H new ATOM 0 HG SER A 3 18.912 -10.279 -53.177 1.00 32.35 H new ATOM 38 N SER A 4 18.546 -5.049 -51.278 1.00 30.35 N ATOM 39 CA SER A 4 18.738 -4.163 -50.139 1.00 29.61 C ATOM 40 C SER A 4 17.411 -3.559 -49.689 1.00 28.85 C ATOM 41 O SER A 4 16.802 -2.754 -50.400 1.00 28.81 O ATOM 42 CB SER A 4 19.731 -3.050 -50.492 1.00 29.84 C ATOM 43 OG SER A 4 19.963 -2.191 -49.386 1.00 30.38 O ATOM 0 H SER A 4 18.613 -4.589 -52.186 1.00 30.35 H new ATOM 0 HA SER A 4 19.144 -4.752 -49.316 1.00 29.61 H new ATOM 0 HB2 SER A 4 20.674 -3.491 -50.816 1.00 29.84 H new ATOM 0 HB3 SER A 4 19.346 -2.470 -51.331 1.00 29.84 H new ATOM 0 HG SER A 4 20.601 -1.493 -49.642 1.00 30.38 H new ATOM 49 N HIS A 5 16.959 -3.970 -48.512 1.00 28.34 N ATOM 50 CA HIS A 5 15.766 -3.404 -47.900 1.00 27.68 C ATOM 51 C HIS A 5 15.933 -3.405 -46.386 1.00 27.14 C ATOM 52 O HIS A 5 15.687 -4.410 -45.719 1.00 26.86 O ATOM 53 CB HIS A 5 14.509 -4.186 -48.309 1.00 27.51 C ATOM 54 CG HIS A 5 13.230 -3.451 -48.027 1.00 27.78 C ATOM 55 ND1 HIS A 5 12.203 -3.970 -47.266 1.00 27.73 N ATOM 56 CD2 HIS A 5 12.810 -2.226 -48.428 1.00 28.20 C ATOM 57 CE1 HIS A 5 11.211 -3.098 -47.215 1.00 28.10 C ATOM 58 NE2 HIS A 5 11.553 -2.031 -47.910 1.00 28.39 N ATOM 0 H HIS A 5 17.406 -4.700 -47.958 1.00 28.34 H new ATOM 0 HA HIS A 5 15.640 -2.380 -48.250 1.00 27.68 H new ATOM 0 HB2 HIS A 5 14.562 -4.413 -49.374 1.00 27.51 H new ATOM 0 HB3 HIS A 5 14.495 -5.139 -47.781 1.00 27.51 H new ATOM 0 HD2 HIS A 5 13.363 -1.531 -49.042 1.00 28.20 H new ATOM 0 HE1 HIS A 5 10.277 -3.236 -46.692 1.00 28.10 H new ATOM 0 HE2 HIS A 5 10.979 -1.198 -48.041 1.00 28.39 H new ATOM 67 N HIS A 6 16.371 -2.279 -45.853 1.00 27.11 N ATOM 68 CA HIS A 6 16.733 -2.191 -44.447 1.00 26.72 C ATOM 69 C HIS A 6 15.548 -1.770 -43.593 1.00 26.14 C ATOM 70 O HIS A 6 14.775 -0.885 -43.970 1.00 26.08 O ATOM 71 CB HIS A 6 17.885 -1.201 -44.254 1.00 27.14 C ATOM 72 CG HIS A 6 19.137 -1.590 -44.969 1.00 27.63 C ATOM 73 ND1 HIS A 6 19.782 -0.766 -45.866 1.00 27.73 N ATOM 74 CD2 HIS A 6 19.870 -2.725 -44.909 1.00 28.14 C ATOM 75 CE1 HIS A 6 20.856 -1.380 -46.331 1.00 28.29 C ATOM 76 NE2 HIS A 6 20.929 -2.569 -45.764 1.00 28.54 N ATOM 0 H HIS A 6 16.485 -1.409 -46.373 1.00 27.11 H new ATOM 0 HA HIS A 6 17.050 -3.183 -44.126 1.00 26.72 H new ATOM 0 HB2 HIS A 6 17.569 -0.217 -44.602 1.00 27.14 H new ATOM 0 HB3 HIS A 6 18.099 -1.109 -43.189 1.00 27.14 H new ATOM 0 HD2 HIS A 6 19.660 -3.592 -44.301 1.00 28.14 H new ATOM 0 HE1 HIS A 6 21.553 -0.978 -47.051 1.00 28.29 H new ATOM 0 HE2 HIS A 6 21.658 -3.262 -45.935 1.00 28.54 H new ATOM 85 N HIS A 7 15.410 -2.408 -42.442 1.00 25.80 N ATOM 86 CA HIS A 7 14.373 -2.044 -41.489 1.00 25.30 C ATOM 87 C HIS A 7 14.859 -0.913 -40.581 1.00 24.72 C ATOM 88 O HIS A 7 15.233 -1.122 -39.429 1.00 24.71 O ATOM 89 CB HIS A 7 13.898 -3.264 -40.676 1.00 25.34 C ATOM 90 CG HIS A 7 14.995 -4.077 -40.049 1.00 25.73 C ATOM 91 ND1 HIS A 7 15.662 -5.079 -40.716 1.00 25.90 N ATOM 92 CD2 HIS A 7 15.526 -4.042 -38.805 1.00 26.10 C ATOM 93 CE1 HIS A 7 16.555 -5.625 -39.913 1.00 26.34 C ATOM 94 NE2 HIS A 7 16.494 -5.013 -38.745 1.00 26.47 N ATOM 0 H HIS A 7 16.004 -3.182 -42.144 1.00 25.80 H new ATOM 0 HA HIS A 7 13.509 -1.682 -42.046 1.00 25.30 H new ATOM 0 HB2 HIS A 7 13.228 -2.918 -39.889 1.00 25.34 H new ATOM 0 HB3 HIS A 7 13.315 -3.912 -41.330 1.00 25.34 H new ATOM 0 HD2 HIS A 7 15.241 -3.373 -38.006 1.00 26.10 H new ATOM 0 HE1 HIS A 7 17.222 -6.435 -40.168 1.00 26.34 H new ATOM 0 HE2 HIS A 7 17.071 -5.227 -37.932 1.00 26.47 H new ATOM 103 N HIS A 8 14.885 0.283 -41.147 1.00 24.34 N ATOM 104 CA HIS A 8 15.306 1.481 -40.431 1.00 23.83 C ATOM 105 C HIS A 8 14.228 1.893 -39.432 1.00 23.17 C ATOM 106 O HIS A 8 13.083 2.130 -39.814 1.00 23.09 O ATOM 107 CB HIS A 8 15.576 2.599 -41.446 1.00 23.99 C ATOM 108 CG HIS A 8 16.092 3.878 -40.863 1.00 24.04 C ATOM 109 ND1 HIS A 8 17.416 4.088 -40.554 1.00 24.18 N ATOM 110 CD2 HIS A 8 15.455 5.039 -40.581 1.00 24.09 C ATOM 111 CE1 HIS A 8 17.572 5.319 -40.110 1.00 24.31 C ATOM 112 NE2 HIS A 8 16.398 5.919 -40.118 1.00 24.25 N ATOM 0 H HIS A 8 14.615 0.453 -42.116 1.00 24.34 H new ATOM 0 HA HIS A 8 16.222 1.283 -39.874 1.00 23.83 H new ATOM 0 HB2 HIS A 8 16.296 2.236 -42.179 1.00 23.99 H new ATOM 0 HB3 HIS A 8 14.652 2.810 -41.984 1.00 23.99 H new ATOM 0 HD1 HIS A 8 18.161 3.398 -40.653 1.00 24.18 H new ATOM 0 HD2 HIS A 8 14.400 5.235 -40.699 1.00 24.09 H new ATOM 0 HE1 HIS A 8 18.505 5.762 -39.793 1.00 24.31 H new ATOM 121 N HIS A 9 14.598 1.976 -38.159 1.00 22.79 N ATOM 122 CA HIS A 9 13.631 2.246 -37.095 1.00 22.26 C ATOM 123 C HIS A 9 13.166 3.695 -37.139 1.00 21.56 C ATOM 124 O HIS A 9 12.001 3.978 -37.407 1.00 21.72 O ATOM 125 CB HIS A 9 14.229 1.951 -35.713 1.00 22.51 C ATOM 126 CG HIS A 9 14.704 0.541 -35.521 1.00 22.98 C ATOM 127 ND1 HIS A 9 15.662 0.199 -34.593 1.00 23.33 N ATOM 128 CD2 HIS A 9 14.344 -0.615 -36.130 1.00 23.25 C ATOM 129 CE1 HIS A 9 15.873 -1.101 -34.639 1.00 23.80 C ATOM 130 NE2 HIS A 9 15.086 -1.619 -35.560 1.00 23.76 N ATOM 0 H HIS A 9 15.559 1.861 -37.836 1.00 22.79 H new ATOM 0 HA HIS A 9 12.778 1.588 -37.260 1.00 22.26 H new ATOM 0 HB2 HIS A 9 15.066 2.628 -35.543 1.00 22.51 H new ATOM 0 HB3 HIS A 9 13.480 2.174 -34.953 1.00 22.51 H new ATOM 0 HD2 HIS A 9 13.611 -0.725 -36.916 1.00 23.25 H new ATOM 0 HE1 HIS A 9 16.573 -1.649 -34.025 1.00 23.80 H new ATOM 0 HE2 HIS A 9 15.036 -2.607 -35.809 1.00 23.76 H new ATOM 139 N HIS A 10 14.091 4.605 -36.874 1.00 20.90 N ATOM 140 CA HIS A 10 13.796 6.030 -36.855 1.00 20.28 C ATOM 141 C HIS A 10 15.108 6.801 -36.857 1.00 19.70 C ATOM 142 O HIS A 10 15.942 6.602 -35.976 1.00 19.62 O ATOM 143 CB HIS A 10 12.953 6.393 -35.624 1.00 20.26 C ATOM 144 CG HIS A 10 12.375 7.777 -35.668 1.00 20.06 C ATOM 145 ND1 HIS A 10 12.193 8.552 -34.546 1.00 19.78 N ATOM 146 CD2 HIS A 10 11.923 8.517 -36.708 1.00 20.24 C ATOM 147 CE1 HIS A 10 11.656 9.708 -34.892 1.00 19.80 C ATOM 148 NE2 HIS A 10 11.483 9.715 -36.202 1.00 20.08 N ATOM 0 H HIS A 10 15.064 4.378 -36.667 1.00 20.90 H new ATOM 0 HA HIS A 10 13.217 6.295 -37.739 1.00 20.28 H new ATOM 0 HB2 HIS A 10 12.140 5.673 -35.528 1.00 20.26 H new ATOM 0 HB3 HIS A 10 13.571 6.296 -34.731 1.00 20.26 H new ATOM 0 HD2 HIS A 10 11.911 8.219 -37.746 1.00 20.24 H new ATOM 0 HE1 HIS A 10 11.401 10.512 -34.218 1.00 19.80 H new ATOM 0 HE2 HIS A 10 11.089 10.482 -36.746 1.00 20.08 H new ATOM 157 N SER A 11 15.277 7.675 -37.844 1.00 19.43 N ATOM 158 CA SER A 11 16.556 8.334 -38.100 1.00 19.01 C ATOM 159 C SER A 11 17.111 9.027 -36.859 1.00 18.01 C ATOM 160 O SER A 11 18.250 8.771 -36.463 1.00 18.01 O ATOM 161 CB SER A 11 16.386 9.337 -39.238 1.00 19.28 C ATOM 162 OG SER A 11 15.716 8.734 -40.335 1.00 19.89 O ATOM 0 H SER A 11 14.534 7.947 -38.488 1.00 19.43 H new ATOM 0 HA SER A 11 17.278 7.568 -38.382 1.00 19.01 H new ATOM 0 HB2 SER A 11 15.820 10.200 -38.888 1.00 19.28 H new ATOM 0 HB3 SER A 11 17.362 9.703 -39.557 1.00 19.28 H new ATOM 0 HG SER A 11 15.896 7.771 -40.339 1.00 19.89 H new ATOM 168 N SER A 12 16.301 9.892 -36.254 1.00 17.26 N ATOM 169 CA SER A 12 16.713 10.641 -35.074 1.00 16.34 C ATOM 170 C SER A 12 17.958 11.466 -35.401 1.00 16.15 C ATOM 171 O SER A 12 18.949 11.456 -34.666 1.00 16.20 O ATOM 172 CB SER A 12 16.981 9.683 -33.908 1.00 15.87 C ATOM 173 OG SER A 12 15.916 8.755 -33.758 1.00 15.96 O ATOM 0 H SER A 12 15.350 10.091 -36.565 1.00 17.26 H new ATOM 0 HA SER A 12 15.914 11.319 -34.776 1.00 16.34 H new ATOM 0 HB2 SER A 12 17.914 9.147 -34.080 1.00 15.87 H new ATOM 0 HB3 SER A 12 17.105 10.252 -32.986 1.00 15.87 H new ATOM 0 HG SER A 12 15.956 8.091 -34.478 1.00 15.96 H new ATOM 179 N GLY A 13 17.893 12.171 -36.524 1.00 16.12 N ATOM 180 CA GLY A 13 19.032 12.934 -36.998 1.00 16.13 C ATOM 181 C GLY A 13 18.677 13.880 -38.131 1.00 16.30 C ATOM 182 O GLY A 13 19.299 14.929 -38.287 1.00 16.67 O ATOM 0 H GLY A 13 17.066 12.228 -37.118 1.00 16.12 H new ATOM 0 HA2 GLY A 13 19.450 13.507 -36.170 1.00 16.13 H new ATOM 0 HA3 GLY A 13 19.809 12.247 -37.334 1.00 16.13 H new ATOM 186 N ARG A 14 17.675 13.519 -38.924 1.00 16.15 N ATOM 187 CA ARG A 14 17.242 14.356 -40.039 1.00 16.46 C ATOM 188 C ARG A 14 16.047 15.193 -39.606 1.00 15.51 C ATOM 189 O ARG A 14 15.851 16.317 -40.060 1.00 15.72 O ATOM 190 CB ARG A 14 16.854 13.498 -41.249 1.00 17.13 C ATOM 191 CG ARG A 14 17.854 12.403 -41.582 1.00 17.25 C ATOM 192 CD ARG A 14 17.470 11.663 -42.858 1.00 17.95 C ATOM 193 NE ARG A 14 17.768 12.437 -44.063 1.00 18.07 N ATOM 194 CZ ARG A 14 17.036 12.411 -45.179 1.00 18.64 C ATOM 195 NH1 ARG A 14 15.897 11.728 -45.224 1.00 19.13 N ATOM 196 NH2 ARG A 14 17.435 13.080 -46.249 1.00 18.84 N ATOM 0 H ARG A 14 17.147 12.653 -38.817 1.00 16.15 H new ATOM 0 HA ARG A 14 18.068 15.006 -40.328 1.00 16.46 H new ATOM 0 HB2 ARG A 14 15.882 13.042 -41.060 1.00 17.13 H new ATOM 0 HB3 ARG A 14 16.739 14.146 -42.118 1.00 17.13 H new ATOM 0 HG2 ARG A 14 18.846 12.839 -41.698 1.00 17.25 H new ATOM 0 HG3 ARG A 14 17.910 11.697 -40.754 1.00 17.25 H new ATOM 0 HD2 ARG A 14 18.003 10.713 -42.898 1.00 17.95 H new ATOM 0 HD3 ARG A 14 16.405 11.430 -42.833 1.00 17.95 H new ATOM 0 HE ARG A 14 18.592 13.038 -44.050 1.00 18.07 H new ATOM 0 HH11 ARG A 14 15.575 11.218 -44.401 1.00 19.13 H new ATOM 0 HH12 ARG A 14 15.344 11.714 -46.081 1.00 19.13 H new ATOM 0 HH21 ARG A 14 18.302 13.616 -46.221 1.00 18.84 H new ATOM 0 HH22 ARG A 14 16.875 13.060 -47.101 1.00 18.84 H new ATOM 210 N GLU A 15 15.271 14.628 -38.696 1.00 14.57 N ATOM 211 CA GLU A 15 14.055 15.249 -38.198 1.00 13.69 C ATOM 212 C GLU A 15 14.354 16.165 -37.010 1.00 12.97 C ATOM 213 O GLU A 15 13.455 16.535 -36.253 1.00 12.15 O ATOM 214 CB GLU A 15 13.042 14.164 -37.793 1.00 13.29 C ATOM 215 CG GLU A 15 13.572 13.147 -36.782 1.00 13.12 C ATOM 216 CD GLU A 15 14.348 11.997 -37.413 1.00 13.58 C ATOM 217 OE1 GLU A 15 15.507 12.203 -37.833 1.00 13.59 O ATOM 218 OE2 GLU A 15 13.813 10.870 -37.459 1.00 14.07 O ATOM 0 H GLU A 15 15.469 13.718 -38.279 1.00 14.57 H new ATOM 0 HA GLU A 15 13.628 15.859 -38.994 1.00 13.69 H new ATOM 0 HB2 GLU A 15 12.159 14.647 -37.374 1.00 13.29 H new ATOM 0 HB3 GLU A 15 12.720 13.633 -38.689 1.00 13.29 H new ATOM 0 HG2 GLU A 15 14.217 13.660 -36.069 1.00 13.12 H new ATOM 0 HG3 GLU A 15 12.733 12.740 -36.217 1.00 13.12 H new ATOM 225 N ASN A 16 15.615 16.570 -36.885 1.00 13.44 N ATOM 226 CA ASN A 16 16.073 17.368 -35.743 1.00 13.06 C ATOM 227 C ASN A 16 15.530 18.798 -35.798 1.00 13.07 C ATOM 228 O ASN A 16 15.788 19.606 -34.900 1.00 12.89 O ATOM 229 CB ASN A 16 17.607 17.410 -35.693 1.00 13.83 C ATOM 230 CG ASN A 16 18.214 18.216 -36.833 1.00 14.84 C ATOM 231 OD1 ASN A 16 18.348 19.436 -36.744 1.00 15.24 O ATOM 232 ND2 ASN A 16 18.609 17.542 -37.899 1.00 15.40 N ATOM 0 H ASN A 16 16.346 16.358 -37.565 1.00 13.44 H new ATOM 0 HA ASN A 16 15.691 16.887 -34.843 1.00 13.06 H new ATOM 0 HB2 ASN A 16 17.923 17.839 -34.742 1.00 13.83 H new ATOM 0 HB3 ASN A 16 17.995 16.392 -35.728 1.00 13.83 H new ATOM 0 HD21 ASN A 16 19.041 18.033 -38.682 1.00 15.40 H new ATOM 0 HD22 ASN A 16 18.482 16.531 -37.939 1.00 15.40 H new ATOM 239 N LEU A 17 14.786 19.106 -36.850 1.00 13.46 N ATOM 240 CA LEU A 17 14.246 20.444 -37.040 1.00 13.68 C ATOM 241 C LEU A 17 12.966 20.648 -36.237 1.00 12.77 C ATOM 242 O LEU A 17 12.594 21.779 -35.926 1.00 12.88 O ATOM 243 CB LEU A 17 13.968 20.720 -38.525 1.00 14.64 C ATOM 244 CG LEU A 17 15.199 20.958 -39.409 1.00 15.73 C ATOM 245 CD1 LEU A 17 15.995 19.677 -39.616 1.00 16.13 C ATOM 246 CD2 LEU A 17 14.781 21.540 -40.749 1.00 16.35 C ATOM 0 H LEU A 17 14.542 18.445 -37.587 1.00 13.46 H new ATOM 0 HA LEU A 17 14.999 21.146 -36.681 1.00 13.68 H new ATOM 0 HB2 LEU A 17 13.411 19.876 -38.932 1.00 14.64 H new ATOM 0 HB3 LEU A 17 13.320 21.594 -38.596 1.00 14.64 H new ATOM 0 HG LEU A 17 15.844 21.671 -38.896 1.00 15.73 H new ATOM 0 HD11 LEU A 17 16.859 19.884 -40.247 1.00 16.13 H new ATOM 0 HD12 LEU A 17 16.332 19.298 -38.651 1.00 16.13 H new ATOM 0 HD13 LEU A 17 15.364 18.930 -40.098 1.00 16.13 H new ATOM 0 HD21 LEU A 17 15.664 21.704 -41.366 1.00 16.35 H new ATOM 0 HD22 LEU A 17 14.110 20.845 -41.254 1.00 16.35 H new ATOM 0 HD23 LEU A 17 14.269 22.489 -40.590 1.00 16.35 H new ATOM 258 N TYR A 18 12.289 19.560 -35.897 1.00 12.00 N ATOM 259 CA TYR A 18 11.022 19.665 -35.190 1.00 11.22 C ATOM 260 C TYR A 18 11.195 19.530 -33.683 1.00 10.27 C ATOM 261 O TYR A 18 11.857 18.617 -33.193 1.00 9.92 O ATOM 262 CB TYR A 18 10.024 18.640 -35.722 1.00 11.19 C ATOM 263 CG TYR A 18 9.580 18.953 -37.130 1.00 12.23 C ATOM 264 CD1 TYR A 18 9.001 20.179 -37.426 1.00 12.64 C ATOM 265 CD2 TYR A 18 9.747 18.038 -38.159 1.00 12.95 C ATOM 266 CE1 TYR A 18 8.602 20.488 -38.710 1.00 13.68 C ATOM 267 CE2 TYR A 18 9.348 18.339 -39.447 1.00 13.98 C ATOM 268 CZ TYR A 18 8.778 19.567 -39.717 1.00 14.32 C ATOM 269 OH TYR A 18 8.381 19.877 -40.995 1.00 15.41 O ATOM 0 H TYR A 18 12.591 18.606 -36.096 1.00 12.00 H new ATOM 0 HA TYR A 18 10.625 20.663 -35.376 1.00 11.22 H new ATOM 0 HB2 TYR A 18 10.476 17.649 -35.698 1.00 11.19 H new ATOM 0 HB3 TYR A 18 9.153 18.609 -35.067 1.00 11.19 H new ATOM 0 HD1 TYR A 18 8.860 20.904 -36.638 1.00 12.64 H new ATOM 0 HD2 TYR A 18 10.195 17.078 -37.951 1.00 12.95 H new ATOM 0 HE1 TYR A 18 8.154 21.447 -38.924 1.00 13.68 H new ATOM 0 HE2 TYR A 18 9.481 17.617 -40.239 1.00 13.98 H new ATOM 0 HH TYR A 18 7.412 19.757 -41.074 1.00 15.41 H new ATOM 279 N PHE A 19 10.579 20.460 -32.965 1.00 10.05 N ATOM 280 CA PHE A 19 10.659 20.521 -31.508 1.00 9.38 C ATOM 281 C PHE A 19 9.463 19.825 -30.868 1.00 8.44 C ATOM 282 O PHE A 19 9.224 19.941 -29.667 1.00 7.95 O ATOM 283 CB PHE A 19 10.701 21.985 -31.063 1.00 9.94 C ATOM 284 CG PHE A 19 9.465 22.770 -31.421 1.00 10.27 C ATOM 285 CD1 PHE A 19 9.292 23.271 -32.702 1.00 10.88 C ATOM 286 CD2 PHE A 19 8.479 23.006 -30.475 1.00 10.22 C ATOM 287 CE1 PHE A 19 8.160 23.989 -33.033 1.00 11.39 C ATOM 288 CE2 PHE A 19 7.345 23.724 -30.801 1.00 10.77 C ATOM 289 CZ PHE A 19 7.184 24.216 -32.081 1.00 11.34 C ATOM 0 H PHE A 19 10.007 21.197 -33.377 1.00 10.05 H new ATOM 0 HA PHE A 19 11.566 20.009 -31.187 1.00 9.38 H new ATOM 0 HB2 PHE A 19 10.842 22.022 -29.983 1.00 9.94 H new ATOM 0 HB3 PHE A 19 11.568 22.467 -31.514 1.00 9.94 H new ATOM 0 HD1 PHE A 19 10.052 23.098 -33.450 1.00 10.88 H new ATOM 0 HD2 PHE A 19 8.599 22.624 -29.472 1.00 10.22 H new ATOM 0 HE1 PHE A 19 8.037 24.373 -34.035 1.00 11.39 H new ATOM 0 HE2 PHE A 19 6.584 23.901 -30.055 1.00 10.77 H new ATOM 0 HZ PHE A 19 6.298 24.777 -32.338 1.00 11.34 H new ATOM 299 N GLN A 20 8.730 19.085 -31.678 1.00 8.42 N ATOM 300 CA GLN A 20 7.500 18.442 -31.238 1.00 7.85 C ATOM 301 C GLN A 20 7.778 17.118 -30.529 1.00 7.07 C ATOM 302 O GLN A 20 6.962 16.202 -30.568 1.00 7.05 O ATOM 303 CB GLN A 20 6.588 18.230 -32.442 1.00 8.59 C ATOM 304 CG GLN A 20 5.996 19.527 -32.980 1.00 9.58 C ATOM 305 CD GLN A 20 5.596 19.451 -34.443 1.00 10.21 C ATOM 306 OE1 GLN A 20 6.422 18.811 -35.259 1.00 10.77 O flip ATOM 307 NE2 GLN A 20 4.590 20.025 -34.849 1.00 10.35 N flip ATOM 0 H GLN A 20 8.966 18.911 -32.655 1.00 8.42 H new ATOM 0 HA GLN A 20 7.006 19.092 -30.515 1.00 7.85 H new ATOM 0 HB2 GLN A 20 7.152 17.739 -33.235 1.00 8.59 H new ATOM 0 HB3 GLN A 20 5.778 17.556 -32.162 1.00 8.59 H new ATOM 0 HG2 GLN A 20 5.121 19.791 -32.386 1.00 9.58 H new ATOM 0 HG3 GLN A 20 6.723 20.329 -32.852 1.00 9.58 H new ATOM 0 HE21 GLN A 20 3.978 20.507 -34.191 1.00 10.35 H new ATOM 0 HE22 GLN A 20 4.366 20.020 -35.844 1.00 10.35 H new ATOM 316 N GLY A 21 8.920 17.037 -29.858 1.00 6.73 N ATOM 317 CA GLY A 21 9.252 15.855 -29.093 1.00 6.33 C ATOM 318 C GLY A 21 8.641 15.886 -27.707 1.00 5.42 C ATOM 319 O GLY A 21 8.831 14.964 -26.913 1.00 5.50 O ATOM 0 H GLY A 21 9.624 17.774 -29.831 1.00 6.73 H new ATOM 0 HA2 GLY A 21 8.902 14.970 -29.624 1.00 6.33 H new ATOM 0 HA3 GLY A 21 10.335 15.769 -29.010 1.00 6.33 H new ATOM 323 N HIS A 22 7.913 16.958 -27.411 1.00 4.89 N ATOM 324 CA HIS A 22 7.233 17.089 -26.130 1.00 4.23 C ATOM 325 C HIS A 22 5.949 16.274 -26.142 1.00 3.24 C ATOM 326 O HIS A 22 5.155 16.372 -27.077 1.00 3.42 O ATOM 327 CB HIS A 22 6.929 18.560 -25.825 1.00 4.82 C ATOM 328 CG HIS A 22 6.410 18.792 -24.436 1.00 5.13 C ATOM 329 ND1 HIS A 22 7.233 18.906 -23.337 1.00 5.51 N ATOM 330 CD2 HIS A 22 5.145 18.926 -23.969 1.00 5.53 C ATOM 331 CE1 HIS A 22 6.500 19.099 -22.257 1.00 6.05 C ATOM 332 NE2 HIS A 22 5.232 19.115 -22.612 1.00 6.08 N ATOM 0 H HIS A 22 7.780 17.748 -28.042 1.00 4.89 H new ATOM 0 HA HIS A 22 7.888 16.709 -25.346 1.00 4.23 H new ATOM 0 HB2 HIS A 22 7.837 19.147 -25.967 1.00 4.82 H new ATOM 0 HB3 HIS A 22 6.196 18.927 -26.544 1.00 4.82 H new ATOM 0 HD2 HIS A 22 4.238 18.891 -24.555 1.00 5.53 H new ATOM 0 HE1 HIS A 22 6.876 19.223 -21.252 1.00 6.05 H new ATOM 0 HE2 HIS A 22 4.442 19.247 -21.981 1.00 6.08 H new ATOM 341 N MET A 23 5.750 15.478 -25.100 1.00 2.70 N ATOM 342 CA MET A 23 4.622 14.556 -25.039 1.00 2.18 C ATOM 343 C MET A 23 3.289 15.287 -25.074 1.00 1.83 C ATOM 344 O MET A 23 3.002 16.142 -24.235 1.00 2.36 O ATOM 345 CB MET A 23 4.717 13.671 -23.797 1.00 2.61 C ATOM 346 CG MET A 23 5.886 12.708 -23.857 1.00 2.99 C ATOM 347 SD MET A 23 5.811 11.633 -25.303 1.00 3.68 S ATOM 348 CE MET A 23 7.436 10.883 -25.248 1.00 4.41 C ATOM 0 H MET A 23 6.358 15.452 -24.281 1.00 2.70 H new ATOM 0 HA MET A 23 4.670 13.923 -25.925 1.00 2.18 H new ATOM 0 HB2 MET A 23 4.815 14.301 -22.913 1.00 2.61 H new ATOM 0 HB3 MET A 23 3.791 13.107 -23.686 1.00 2.61 H new ATOM 0 HG2 MET A 23 6.818 13.272 -23.874 1.00 2.99 H new ATOM 0 HG3 MET A 23 5.899 12.098 -22.954 1.00 2.99 H new ATOM 0 HE1 MET A 23 7.545 10.189 -26.082 1.00 4.41 H new ATOM 0 HE2 MET A 23 8.198 11.659 -25.320 1.00 4.41 H new ATOM 0 HE3 MET A 23 7.556 10.343 -24.309 1.00 4.41 H new ATOM 358 N CYS A 24 2.489 14.933 -26.066 1.00 1.24 N ATOM 359 CA CYS A 24 1.188 15.535 -26.288 1.00 0.95 C ATOM 360 C CYS A 24 0.371 14.601 -27.174 1.00 0.84 C ATOM 361 O CYS A 24 0.922 13.653 -27.739 1.00 0.77 O ATOM 362 CB CYS A 24 1.357 16.910 -26.954 1.00 0.99 C ATOM 363 SG CYS A 24 -0.184 17.818 -27.233 1.00 1.71 S ATOM 0 H CYS A 24 2.729 14.212 -26.746 1.00 1.24 H new ATOM 0 HA CYS A 24 0.670 15.681 -25.340 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.013 17.520 -26.333 1.00 0.99 H new ATOM 0 HB3 CYS A 24 1.860 16.774 -27.912 1.00 0.99 H new ATOM 0 HG CYS A 24 0.081 18.960 -27.796 1.00 1.71 H new ATOM 369 N ILE A 25 -0.927 14.859 -27.292 1.00 0.89 N ATOM 370 CA ILE A 25 -1.803 14.041 -28.126 1.00 0.88 C ATOM 371 C ILE A 25 -1.292 13.993 -29.572 1.00 0.74 C ATOM 372 O ILE A 25 -1.370 12.960 -30.235 1.00 0.71 O ATOM 373 CB ILE A 25 -3.267 14.562 -28.087 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.194 13.643 -28.887 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.357 15.990 -28.608 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.327 12.256 -28.297 1.00 1.37 C ATOM 0 H ILE A 25 -1.398 15.631 -26.819 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.793 13.029 -27.721 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.591 14.559 -27.046 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.182 14.100 -28.947 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.819 13.561 -29.907 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.393 16.327 -28.569 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.739 16.642 -27.990 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.003 16.024 -29.638 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.998 11.660 -28.916 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.347 11.780 -28.262 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.732 12.327 -27.287 1.00 1.37 H new ATOM 388 N GLN A 26 -0.732 15.108 -30.036 1.00 0.69 N ATOM 389 CA GLN A 26 -0.176 15.185 -31.383 1.00 0.64 C ATOM 390 C GLN A 26 1.036 14.265 -31.516 1.00 0.56 C ATOM 391 O GLN A 26 1.206 13.585 -32.527 1.00 0.59 O ATOM 392 CB GLN A 26 0.220 16.629 -31.709 1.00 0.70 C ATOM 393 CG GLN A 26 0.747 16.819 -33.123 1.00 0.80 C ATOM 394 CD GLN A 26 1.132 18.256 -33.416 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.109 18.438 -34.291 1.00 1.75 O flip ATOM 396 NE2 GLN A 26 0.559 19.191 -32.860 1.00 1.54 N flip ATOM 0 H GLN A 26 -0.652 15.971 -29.498 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.938 14.859 -32.091 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.646 17.274 -31.565 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.982 16.955 -31.001 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.615 16.177 -33.272 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.013 16.498 -33.836 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -0.189 19.006 -32.192 1.00 1.54 H new ATOM 0 HE22 GLN A 26 0.832 20.152 -33.067 1.00 1.54 H new ATOM 405 N LYS A 27 1.857 14.234 -30.469 1.00 0.56 N ATOM 406 CA LYS A 27 3.075 13.426 -30.450 1.00 0.60 C ATOM 407 C LYS A 27 2.735 11.946 -30.595 1.00 0.58 C ATOM 408 O LYS A 27 3.418 11.207 -31.305 1.00 0.58 O ATOM 409 CB LYS A 27 3.830 13.651 -29.133 1.00 0.75 C ATOM 410 CG LYS A 27 5.334 13.889 -29.271 1.00 1.27 C ATOM 411 CD LYS A 27 6.067 12.715 -29.911 1.00 1.53 C ATOM 412 CE LYS A 27 6.141 12.852 -31.425 1.00 1.93 C ATOM 413 NZ LYS A 27 6.829 11.698 -32.062 1.00 2.50 N ATOM 0 H LYS A 27 1.698 14.766 -29.613 1.00 0.56 H new ATOM 0 HA LYS A 27 3.704 13.728 -31.287 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.389 14.508 -28.623 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.674 12.783 -28.492 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.501 14.784 -29.870 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.758 14.081 -28.285 1.00 1.27 H new ATOM 0 HD2 LYS A 27 7.075 12.650 -29.502 1.00 1.53 H new ATOM 0 HD3 LYS A 27 5.558 11.786 -29.655 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.133 12.940 -31.830 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.668 13.772 -31.679 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.784 11.983 -32.358 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 6.897 10.915 -31.381 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 6.288 11.387 -32.894 1.00 2.50 H new ATOM 427 N VAL A 28 1.672 11.525 -29.916 1.00 0.62 N ATOM 428 CA VAL A 28 1.250 10.131 -29.933 1.00 0.68 C ATOM 429 C VAL A 28 0.838 9.706 -31.337 1.00 0.62 C ATOM 430 O VAL A 28 1.388 8.752 -31.886 1.00 0.62 O ATOM 431 CB VAL A 28 0.077 9.886 -28.960 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.319 8.418 -28.951 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.439 10.348 -27.556 1.00 1.04 C ATOM 0 H VAL A 28 1.086 12.134 -29.345 1.00 0.62 H new ATOM 0 HA VAL A 28 2.103 9.533 -29.611 1.00 0.68 H new ATOM 0 HB VAL A 28 -0.777 10.469 -29.305 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.147 8.269 -28.258 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.625 8.118 -29.953 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.531 7.814 -28.635 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.401 10.167 -26.885 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.310 9.795 -27.204 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.668 11.414 -27.571 1.00 1.04 H new ATOM 443 N ILE A 29 -0.104 10.443 -31.919 1.00 0.60 N ATOM 444 CA ILE A 29 -0.605 10.144 -33.262 1.00 0.57 C ATOM 445 C ILE A 29 0.532 10.161 -34.284 1.00 0.52 C ATOM 446 O ILE A 29 0.677 9.233 -35.083 1.00 0.51 O ATOM 447 CB ILE A 29 -1.725 11.140 -33.685 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.086 10.714 -33.111 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.816 11.265 -35.203 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.149 10.693 -31.599 1.00 0.79 C ATOM 0 H ILE A 29 -0.539 11.255 -31.481 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.035 9.143 -33.235 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.461 12.115 -33.276 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.853 11.393 -33.485 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.330 9.720 -33.486 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.608 11.968 -35.463 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.866 11.627 -35.596 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.040 10.290 -35.636 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.144 10.382 -31.281 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.409 9.992 -31.214 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.940 11.690 -31.212 1.00 0.79 H new ATOM 462 N GLU A 30 1.354 11.205 -34.227 1.00 0.53 N ATOM 463 CA GLU A 30 2.475 11.359 -35.147 1.00 0.55 C ATOM 464 C GLU A 30 3.400 10.144 -35.096 1.00 0.55 C ATOM 465 O GLU A 30 3.703 9.545 -36.127 1.00 0.58 O ATOM 466 CB GLU A 30 3.249 12.637 -34.810 1.00 0.64 C ATOM 467 CG GLU A 30 4.488 12.858 -35.661 1.00 0.99 C ATOM 468 CD GLU A 30 5.764 12.788 -34.847 1.00 1.49 C ATOM 469 OE1 GLU A 30 6.288 11.672 -34.648 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.231 13.844 -34.376 1.00 1.84 O ATOM 0 H GLU A 30 1.263 11.961 -33.548 1.00 0.53 H new ATOM 0 HA GLU A 30 2.083 11.435 -36.161 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.584 13.493 -34.927 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.544 12.604 -33.761 1.00 0.64 H new ATOM 0 HG2 GLU A 30 4.522 12.108 -36.451 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.423 13.831 -36.148 1.00 0.99 H new ATOM 477 N ASP A 31 3.814 9.766 -33.894 1.00 0.57 N ATOM 478 CA ASP A 31 4.765 8.674 -33.722 1.00 0.64 C ATOM 479 C ASP A 31 4.156 7.337 -34.136 1.00 0.57 C ATOM 480 O ASP A 31 4.849 6.475 -34.685 1.00 0.61 O ATOM 481 CB ASP A 31 5.243 8.612 -32.269 1.00 0.80 C ATOM 482 CG ASP A 31 6.262 7.517 -32.031 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.444 7.700 -32.396 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.892 6.470 -31.459 1.00 1.67 O ATOM 0 H ASP A 31 3.507 10.199 -33.023 1.00 0.57 H new ATOM 0 HA ASP A 31 5.620 8.868 -34.370 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.678 9.573 -31.993 1.00 0.80 H new ATOM 0 HB3 ASP A 31 4.385 8.452 -31.616 1.00 0.80 H new ATOM 489 N LYS A 32 2.859 7.175 -33.896 1.00 0.53 N ATOM 490 CA LYS A 32 2.178 5.922 -34.203 1.00 0.55 C ATOM 491 C LYS A 32 2.187 5.623 -35.699 1.00 0.48 C ATOM 492 O LYS A 32 2.647 4.556 -36.121 1.00 0.52 O ATOM 493 CB LYS A 32 0.738 5.949 -33.689 1.00 0.67 C ATOM 494 CG LYS A 32 0.617 5.741 -32.187 1.00 0.97 C ATOM 495 CD LYS A 32 -0.832 5.813 -31.710 1.00 1.09 C ATOM 496 CE LYS A 32 -1.691 4.676 -32.256 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.002 4.837 -33.702 1.00 2.03 N ATOM 0 H LYS A 32 2.259 7.894 -33.491 1.00 0.53 H new ATOM 0 HA LYS A 32 2.726 5.127 -33.696 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.287 6.906 -33.951 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.165 5.176 -34.201 1.00 0.67 H new ATOM 0 HG2 LYS A 32 1.038 4.771 -31.921 1.00 0.97 H new ATOM 0 HG3 LYS A 32 1.207 6.497 -31.668 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.853 5.787 -30.621 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.263 6.767 -32.015 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.174 3.729 -32.103 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -2.622 4.626 -31.691 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -3.017 4.672 -33.859 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -1.757 5.802 -34.004 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.450 4.150 -34.254 1.00 2.03 H new ATOM 511 N LEU A 33 1.689 6.553 -36.505 1.00 0.44 N ATOM 512 CA LEU A 33 1.665 6.357 -37.949 1.00 0.44 C ATOM 513 C LEU A 33 3.076 6.422 -38.536 1.00 0.46 C ATOM 514 O LEU A 33 3.367 5.773 -39.545 1.00 0.51 O ATOM 515 CB LEU A 33 0.719 7.366 -38.625 1.00 0.47 C ATOM 516 CG LEU A 33 0.927 8.845 -38.276 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.038 9.459 -39.114 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.369 9.617 -38.468 1.00 0.55 C ATOM 0 H LEU A 33 1.300 7.441 -36.188 1.00 0.44 H new ATOM 0 HA LEU A 33 1.276 5.359 -38.150 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.817 7.254 -39.705 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.306 7.097 -38.369 1.00 0.47 H new ATOM 0 HG LEU A 33 1.225 8.906 -37.229 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.161 10.508 -38.843 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.970 8.925 -38.930 1.00 0.57 H new ATOM 0 HD13 LEU A 33 1.780 9.385 -40.170 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.209 10.666 -38.217 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.689 9.537 -39.507 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.139 9.202 -37.818 1.00 0.55 H new ATOM 530 N SER A 34 3.957 7.173 -37.883 1.00 0.47 N ATOM 531 CA SER A 34 5.340 7.295 -38.328 1.00 0.53 C ATOM 532 C SER A 34 6.061 5.952 -38.214 1.00 0.54 C ATOM 533 O SER A 34 6.825 5.570 -39.094 1.00 0.59 O ATOM 534 CB SER A 34 6.070 8.362 -37.505 1.00 0.60 C ATOM 535 OG SER A 34 7.350 8.647 -38.039 1.00 1.29 O ATOM 0 H SER A 34 3.737 7.707 -37.042 1.00 0.47 H new ATOM 0 HA SER A 34 5.341 7.599 -39.375 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.474 9.274 -37.481 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.173 8.021 -36.475 1.00 0.60 H new ATOM 0 HG SER A 34 7.788 9.332 -37.492 1.00 1.29 H new ATOM 541 N SER A 35 5.784 5.224 -37.142 1.00 0.55 N ATOM 542 CA SER A 35 6.421 3.933 -36.913 1.00 0.62 C ATOM 543 C SER A 35 5.965 2.896 -37.942 1.00 0.59 C ATOM 544 O SER A 35 6.704 1.964 -38.272 1.00 0.65 O ATOM 545 CB SER A 35 6.102 3.437 -35.501 1.00 0.72 C ATOM 546 OG SER A 35 6.525 4.372 -34.522 1.00 0.78 O ATOM 0 H SER A 35 5.123 5.504 -36.417 1.00 0.55 H new ATOM 0 HA SER A 35 7.498 4.065 -37.019 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.030 3.267 -35.406 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.593 2.479 -35.329 1.00 0.72 H new ATOM 0 HG SER A 35 5.819 5.037 -34.378 1.00 0.78 H new ATOM 552 N ALA A 36 4.753 3.069 -38.454 1.00 0.54 N ATOM 553 CA ALA A 36 4.159 2.086 -39.347 1.00 0.57 C ATOM 554 C ALA A 36 4.529 2.342 -40.804 1.00 0.51 C ATOM 555 O ALA A 36 5.067 1.464 -41.476 1.00 0.52 O ATOM 556 CB ALA A 36 2.649 2.082 -39.178 1.00 0.64 C ATOM 0 H ALA A 36 4.164 3.880 -38.266 1.00 0.54 H new ATOM 0 HA ALA A 36 4.558 1.108 -39.079 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.210 1.344 -39.849 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.399 1.830 -38.148 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.254 3.070 -39.416 1.00 0.64 H new ATOM 562 N LEU A 37 4.256 3.547 -41.283 1.00 0.50 N ATOM 563 CA LEU A 37 4.472 3.872 -42.690 1.00 0.53 C ATOM 564 C LEU A 37 5.895 4.366 -42.926 1.00 0.52 C ATOM 565 O LEU A 37 6.368 4.402 -44.063 1.00 0.62 O ATOM 566 CB LEU A 37 3.463 4.928 -43.144 1.00 0.57 C ATOM 567 CG LEU A 37 1.994 4.545 -42.940 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.087 5.721 -43.257 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.630 3.344 -43.802 1.00 0.94 C ATOM 0 H LEU A 37 3.886 4.315 -40.723 1.00 0.50 H new ATOM 0 HA LEU A 37 4.328 2.965 -43.277 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.660 5.854 -42.604 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.626 5.135 -44.202 1.00 0.57 H new ATOM 0 HG LEU A 37 1.853 4.274 -41.894 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.048 5.430 -43.106 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.329 6.555 -42.599 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.232 6.023 -44.294 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.583 3.087 -43.644 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.789 3.588 -44.852 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.258 2.496 -43.528 1.00 0.94 H new ATOM 581 N LYS A 38 6.554 4.744 -41.836 1.00 0.47 N ATOM 582 CA LYS A 38 7.940 5.212 -41.856 1.00 0.52 C ATOM 583 C LYS A 38 8.182 6.288 -42.913 1.00 0.47 C ATOM 584 O LYS A 38 8.744 6.021 -43.980 1.00 0.54 O ATOM 585 CB LYS A 38 8.906 4.041 -42.047 1.00 0.70 C ATOM 586 CG LYS A 38 8.911 3.074 -40.876 1.00 1.32 C ATOM 587 CD LYS A 38 9.899 1.943 -41.087 1.00 1.93 C ATOM 588 CE LYS A 38 9.919 0.990 -39.902 1.00 2.67 C ATOM 589 NZ LYS A 38 8.582 0.392 -39.644 1.00 3.36 N ATOM 0 H LYS A 38 6.140 4.735 -40.904 1.00 0.47 H new ATOM 0 HA LYS A 38 8.130 5.672 -40.886 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.637 3.501 -42.955 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.914 4.430 -42.194 1.00 0.70 H new ATOM 0 HG2 LYS A 38 9.163 3.611 -39.962 1.00 1.32 H new ATOM 0 HG3 LYS A 38 7.911 2.663 -40.739 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.637 1.394 -41.992 1.00 1.93 H new ATOM 0 HD3 LYS A 38 10.897 2.354 -41.241 1.00 1.93 H new ATOM 0 HE2 LYS A 38 10.641 0.195 -40.088 1.00 2.67 H new ATOM 0 HE3 LYS A 38 10.255 1.524 -39.013 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 8.695 -0.493 -39.109 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 8.004 1.059 -39.093 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 8.111 0.191 -40.549 1.00 3.36 H new ATOM 603 N PRO A 39 7.743 7.521 -42.636 1.00 0.46 N ATOM 604 CA PRO A 39 7.983 8.650 -43.508 1.00 0.47 C ATOM 605 C PRO A 39 9.293 9.356 -43.172 1.00 0.51 C ATOM 606 O PRO A 39 9.535 9.730 -42.025 1.00 0.63 O ATOM 607 CB PRO A 39 6.784 9.560 -43.234 1.00 0.50 C ATOM 608 CG PRO A 39 6.314 9.219 -41.851 1.00 0.54 C ATOM 609 CD PRO A 39 6.971 7.916 -41.449 1.00 0.52 C ATOM 0 HA PRO A 39 8.078 8.361 -44.555 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.068 10.610 -43.302 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.994 9.395 -43.966 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.578 10.012 -41.151 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.228 9.123 -41.829 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.616 8.046 -40.580 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.230 7.161 -41.186 1.00 0.52 H new ATOM 617 N THR A 40 10.143 9.524 -44.176 1.00 0.52 N ATOM 618 CA THR A 40 11.402 10.232 -44.005 1.00 0.61 C ATOM 619 C THR A 40 11.161 11.691 -43.623 1.00 0.62 C ATOM 620 O THR A 40 12.007 12.334 -43.002 1.00 0.73 O ATOM 621 CB THR A 40 12.247 10.161 -45.289 1.00 0.67 C ATOM 622 OG1 THR A 40 11.416 10.383 -46.438 1.00 0.70 O ATOM 623 CG2 THR A 40 12.936 8.810 -45.407 1.00 0.71 C ATOM 0 H THR A 40 9.981 9.177 -45.121 1.00 0.52 H new ATOM 0 HA THR A 40 11.948 9.746 -43.197 1.00 0.61 H new ATOM 0 HB THR A 40 13.010 10.938 -45.240 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.735 11.172 -46.925 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.528 8.782 -46.322 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.589 8.658 -44.548 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.185 8.020 -45.436 1.00 0.71 H new ATOM 631 N PHE A 41 10.000 12.201 -44.011 1.00 0.54 N ATOM 632 CA PHE A 41 9.584 13.541 -43.646 1.00 0.55 C ATOM 633 C PHE A 41 8.090 13.547 -43.353 1.00 0.48 C ATOM 634 O PHE A 41 7.318 12.851 -44.019 1.00 0.45 O ATOM 635 CB PHE A 41 9.915 14.533 -44.766 1.00 0.57 C ATOM 636 CG PHE A 41 9.532 15.950 -44.452 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.322 16.722 -43.618 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.384 16.508 -44.992 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.974 18.026 -43.328 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.031 17.811 -44.706 1.00 0.70 C ATOM 641 CZ PHE A 41 8.827 18.571 -43.873 1.00 0.75 C ATOM 0 H PHE A 41 9.325 11.697 -44.586 1.00 0.54 H new ATOM 0 HA PHE A 41 10.125 13.850 -42.752 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.985 14.492 -44.970 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.404 14.222 -45.677 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.219 16.300 -43.190 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.759 15.916 -45.644 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.597 18.620 -42.676 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.134 18.235 -45.133 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.554 19.591 -43.647 1.00 0.75 H new ATOM 651 N LEU A 42 7.691 14.310 -42.347 1.00 0.50 N ATOM 652 CA LEU A 42 6.289 14.430 -41.991 1.00 0.48 C ATOM 653 C LEU A 42 5.978 15.865 -41.573 1.00 0.54 C ATOM 654 O LEU A 42 6.532 16.368 -40.596 1.00 0.64 O ATOM 655 CB LEU A 42 5.946 13.454 -40.861 1.00 0.53 C ATOM 656 CG LEU A 42 4.466 13.388 -40.478 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.626 12.911 -41.653 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.272 12.474 -39.278 1.00 1.55 C ATOM 0 H LEU A 42 8.323 14.857 -41.762 1.00 0.50 H new ATOM 0 HA LEU A 42 5.679 14.180 -42.859 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.273 12.456 -41.154 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.521 13.731 -39.977 1.00 0.53 H new ATOM 0 HG LEU A 42 4.135 14.391 -40.209 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.577 12.872 -41.358 1.00 1.03 H new ATOM 0 HD12 LEU A 42 3.743 13.602 -42.488 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.955 11.917 -41.956 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.215 12.436 -39.016 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.621 11.471 -39.524 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.842 12.859 -38.432 1.00 1.55 H new ATOM 670 N GLU A 43 5.113 16.525 -42.329 1.00 0.57 N ATOM 671 CA GLU A 43 4.733 17.901 -42.035 1.00 0.69 C ATOM 672 C GLU A 43 3.330 17.940 -41.445 1.00 0.60 C ATOM 673 O GLU A 43 2.410 17.349 -41.997 1.00 0.53 O ATOM 674 CB GLU A 43 4.785 18.750 -43.307 1.00 0.82 C ATOM 675 CG GLU A 43 4.529 20.229 -43.068 1.00 1.00 C ATOM 676 CD GLU A 43 5.636 20.884 -42.269 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.800 20.543 -41.082 1.00 2.23 O ATOM 678 OE2 GLU A 43 6.344 21.746 -42.835 1.00 2.19 O ATOM 0 H GLU A 43 4.660 16.130 -43.153 1.00 0.57 H new ATOM 0 HA GLU A 43 5.437 18.309 -41.310 1.00 0.69 H new ATOM 0 HB2 GLU A 43 5.763 18.631 -43.773 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.047 18.373 -44.015 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.427 20.737 -44.027 1.00 1.00 H new ATOM 0 HG3 GLU A 43 3.583 20.351 -42.541 1.00 1.00 H new ATOM 685 N LEU A 44 3.167 18.628 -40.329 1.00 0.67 N ATOM 686 CA LEU A 44 1.866 18.710 -39.680 1.00 0.65 C ATOM 687 C LEU A 44 1.380 20.152 -39.622 1.00 0.64 C ATOM 688 O LEU A 44 1.991 21.004 -38.976 1.00 0.77 O ATOM 689 CB LEU A 44 1.899 18.109 -38.267 1.00 0.82 C ATOM 690 CG LEU A 44 2.150 16.597 -38.190 1.00 0.97 C ATOM 691 CD1 LEU A 44 3.637 16.286 -38.257 1.00 1.27 C ATOM 692 CD2 LEU A 44 1.535 16.021 -36.922 1.00 1.72 C ATOM 0 H LEU A 44 3.913 19.136 -39.854 1.00 0.67 H new ATOM 0 HA LEU A 44 1.169 18.125 -40.280 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.675 18.617 -37.695 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.949 18.326 -37.778 1.00 0.82 H new ATOM 0 HG LEU A 44 1.672 16.128 -39.050 1.00 0.97 H new ATOM 0 HD11 LEU A 44 3.786 15.208 -38.200 1.00 1.27 H new ATOM 0 HD12 LEU A 44 4.045 16.660 -39.196 1.00 1.27 H new ATOM 0 HD13 LEU A 44 4.147 16.767 -37.423 1.00 1.27 H new ATOM 0 HD21 LEU A 44 1.722 14.948 -36.882 1.00 1.72 H new ATOM 0 HD22 LEU A 44 1.982 16.500 -36.051 1.00 1.72 H new ATOM 0 HD23 LEU A 44 0.460 16.203 -36.924 1.00 1.72 H new ATOM 704 N VAL A 45 0.282 20.419 -40.310 1.00 0.57 N ATOM 705 CA VAL A 45 -0.310 21.749 -40.334 1.00 0.63 C ATOM 706 C VAL A 45 -1.752 21.691 -39.834 1.00 0.60 C ATOM 707 O VAL A 45 -2.459 20.711 -40.075 1.00 0.56 O ATOM 708 CB VAL A 45 -0.283 22.350 -41.763 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.813 23.776 -41.770 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.125 22.311 -42.344 1.00 0.90 C ATOM 0 H VAL A 45 -0.222 19.727 -40.864 1.00 0.57 H new ATOM 0 HA VAL A 45 0.280 22.389 -39.678 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.934 21.739 -42.388 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.782 24.171 -42.786 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.842 23.784 -41.409 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.196 24.397 -41.120 1.00 1.08 H new ATOM 0 HG21 VAL A 45 1.117 22.738 -43.347 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.797 22.889 -41.709 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.470 21.278 -42.392 1.00 0.90 H new ATOM 720 N ASP A 46 -2.175 22.727 -39.120 1.00 0.76 N ATOM 721 CA ASP A 46 -3.557 22.816 -38.664 1.00 0.83 C ATOM 722 C ASP A 46 -4.485 23.129 -39.827 1.00 0.80 C ATOM 723 O ASP A 46 -4.399 24.193 -40.442 1.00 0.99 O ATOM 724 CB ASP A 46 -3.722 23.880 -37.572 1.00 1.16 C ATOM 725 CG ASP A 46 -5.183 24.167 -37.258 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.853 23.309 -36.649 1.00 1.83 O ATOM 727 OD2 ASP A 46 -5.676 25.254 -37.633 1.00 1.57 O ATOM 0 H ASP A 46 -1.585 23.513 -38.845 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.823 21.847 -38.242 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -3.217 23.547 -36.665 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -3.234 24.801 -37.889 1.00 1.16 H new ATOM 732 N LYS A 47 -5.357 22.189 -40.137 1.00 0.81 N ATOM 733 CA LYS A 47 -6.378 22.394 -41.142 1.00 1.03 C ATOM 734 C LYS A 47 -7.703 21.942 -40.556 1.00 1.12 C ATOM 735 O LYS A 47 -8.163 20.826 -40.808 1.00 1.66 O ATOM 736 CB LYS A 47 -6.044 21.629 -42.434 1.00 1.36 C ATOM 737 CG LYS A 47 -6.763 22.142 -43.683 1.00 1.85 C ATOM 738 CD LYS A 47 -8.229 21.722 -43.737 1.00 2.14 C ATOM 739 CE LYS A 47 -8.422 20.335 -44.347 1.00 2.34 C ATOM 740 NZ LYS A 47 -7.681 19.272 -43.615 1.00 2.76 N ATOM 0 H LYS A 47 -5.377 21.267 -39.701 1.00 0.81 H new ATOM 0 HA LYS A 47 -6.434 23.448 -41.413 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -4.968 21.681 -42.603 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.294 20.578 -42.293 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -6.700 23.230 -43.711 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -6.250 21.770 -44.570 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -8.643 21.732 -42.729 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -8.791 22.452 -44.320 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -9.484 20.091 -44.354 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -8.092 20.351 -45.386 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -8.050 18.339 -43.890 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -6.670 19.327 -43.852 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -7.804 19.405 -42.591 1.00 2.76 H new ATOM 754 N SER A 48 -8.277 22.804 -39.728 1.00 1.40 N ATOM 755 CA SER A 48 -9.488 22.484 -38.998 1.00 1.68 C ATOM 756 C SER A 48 -10.671 22.312 -39.947 1.00 1.52 C ATOM 757 O SER A 48 -10.919 23.162 -40.804 1.00 1.97 O ATOM 758 CB SER A 48 -9.780 23.577 -37.971 1.00 2.50 C ATOM 759 OG SER A 48 -8.698 23.729 -37.061 1.00 3.20 O ATOM 0 H SER A 48 -7.915 23.740 -39.546 1.00 1.40 H new ATOM 0 HA SER A 48 -9.338 21.538 -38.477 1.00 1.68 H new ATOM 0 HB2 SER A 48 -9.963 24.522 -38.483 1.00 2.50 H new ATOM 0 HB3 SER A 48 -10.689 23.330 -37.422 1.00 2.50 H new ATOM 0 HG SER A 48 -8.910 24.436 -36.416 1.00 3.20 H new ATOM 765 N CYS A 49 -11.384 21.203 -39.785 1.00 2.02 N ATOM 766 CA CYS A 49 -12.555 20.903 -40.603 1.00 2.76 C ATOM 767 C CYS A 49 -13.687 21.880 -40.298 1.00 2.78 C ATOM 768 O CYS A 49 -14.581 22.095 -41.118 1.00 3.32 O ATOM 769 CB CYS A 49 -13.010 19.461 -40.346 1.00 3.84 C ATOM 770 SG CYS A 49 -14.390 18.909 -41.376 1.00 4.74 S ATOM 0 H CYS A 49 -11.169 20.490 -39.088 1.00 2.02 H new ATOM 0 HA CYS A 49 -12.287 21.010 -41.654 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -12.164 18.793 -40.508 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -13.296 19.366 -39.298 1.00 3.84 H new ATOM 0 HG CYS A 49 -15.085 19.939 -41.758 1.00 4.74 H new ATOM 776 N GLY A 50 -13.633 22.478 -39.114 1.00 2.67 N ATOM 777 CA GLY A 50 -14.652 23.424 -38.710 1.00 2.93 C ATOM 778 C GLY A 50 -15.028 23.247 -37.260 1.00 2.80 C ATOM 779 O GLY A 50 -15.281 24.215 -36.546 1.00 3.16 O ATOM 0 H GLY A 50 -12.897 22.323 -38.425 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -14.291 24.440 -38.872 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -15.536 23.296 -39.334 1.00 2.93 H new ATOM 783 N CYS A 51 -15.062 22.001 -36.827 1.00 2.72 N ATOM 784 CA CYS A 51 -15.353 21.685 -35.443 1.00 2.86 C ATOM 785 C CYS A 51 -14.095 21.182 -34.747 1.00 2.48 C ATOM 786 O CYS A 51 -13.709 20.020 -34.899 1.00 3.01 O ATOM 787 CB CYS A 51 -16.467 20.639 -35.359 1.00 3.50 C ATOM 788 SG CYS A 51 -16.941 20.191 -33.674 1.00 4.36 S ATOM 0 H CYS A 51 -14.891 21.188 -37.418 1.00 2.72 H new ATOM 0 HA CYS A 51 -15.693 22.590 -34.939 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -17.345 21.018 -35.882 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -16.146 19.740 -35.885 1.00 3.50 H new ATOM 0 HG CYS A 51 -17.890 19.303 -33.712 1.00 4.36 H new ATOM 794 N GLY A 52 -13.435 22.075 -34.023 1.00 2.09 N ATOM 795 CA GLY A 52 -12.255 21.701 -33.273 1.00 2.20 C ATOM 796 C GLY A 52 -11.016 21.592 -34.142 1.00 1.68 C ATOM 797 O GLY A 52 -11.078 21.779 -35.360 1.00 2.26 O ATOM 0 H GLY A 52 -13.698 23.057 -33.942 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -12.080 22.438 -32.489 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -12.432 20.746 -32.779 1.00 2.20 H new ATOM 801 N THR A 53 -9.895 21.283 -33.510 1.00 1.51 N ATOM 802 CA THR A 53 -8.626 21.150 -34.206 1.00 1.81 C ATOM 803 C THR A 53 -8.627 19.939 -35.139 1.00 1.47 C ATOM 804 O THR A 53 -9.163 18.880 -34.811 1.00 1.48 O ATOM 805 CB THR A 53 -7.465 21.036 -33.194 1.00 2.71 C ATOM 806 OG1 THR A 53 -7.440 22.204 -32.362 1.00 3.27 O ATOM 807 CG2 THR A 53 -6.120 20.885 -33.896 1.00 3.46 C ATOM 0 H THR A 53 -9.839 21.118 -32.505 1.00 1.51 H new ATOM 0 HA THR A 53 -8.485 22.045 -34.812 1.00 1.81 H new ATOM 0 HB THR A 53 -7.632 20.145 -32.589 1.00 2.71 H new ATOM 0 HG1 THR A 53 -6.705 22.132 -31.718 1.00 3.27 H new ATOM 0 HG21 THR A 53 -5.328 20.808 -33.151 1.00 3.46 H new ATOM 0 HG22 THR A 53 -6.129 19.985 -34.511 1.00 3.46 H new ATOM 0 HG23 THR A 53 -5.940 21.754 -34.528 1.00 3.46 H new ATOM 815 N SER A 54 -8.052 20.119 -36.318 1.00 1.25 N ATOM 816 CA SER A 54 -7.903 19.041 -37.276 1.00 1.00 C ATOM 817 C SER A 54 -6.500 19.100 -37.869 1.00 0.82 C ATOM 818 O SER A 54 -5.944 20.186 -38.048 1.00 0.89 O ATOM 819 CB SER A 54 -8.959 19.159 -38.376 1.00 1.14 C ATOM 820 OG SER A 54 -10.260 19.318 -37.825 1.00 1.71 O ATOM 0 H SER A 54 -7.678 21.014 -36.634 1.00 1.25 H new ATOM 0 HA SER A 54 -8.045 18.082 -36.777 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.726 20.009 -39.017 1.00 1.14 H new ATOM 0 HB3 SER A 54 -8.934 18.269 -39.005 1.00 1.14 H new ATOM 0 HG SER A 54 -10.729 18.458 -37.841 1.00 1.71 H new ATOM 826 N PHE A 55 -5.930 17.952 -38.186 1.00 0.67 N ATOM 827 CA PHE A 55 -4.545 17.907 -38.616 1.00 0.60 C ATOM 828 C PHE A 55 -4.449 17.531 -40.080 1.00 0.52 C ATOM 829 O PHE A 55 -5.106 16.596 -40.542 1.00 0.50 O ATOM 830 CB PHE A 55 -3.745 16.911 -37.774 1.00 0.67 C ATOM 831 CG PHE A 55 -3.673 17.265 -36.314 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.759 18.204 -35.862 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.514 16.657 -35.394 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.687 18.533 -34.522 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.446 16.983 -34.052 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.530 17.921 -33.616 1.00 1.15 C ATOM 0 H PHE A 55 -6.399 17.047 -38.154 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.123 18.902 -38.478 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.193 15.922 -37.876 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.732 16.845 -38.172 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.095 18.684 -36.566 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.230 15.921 -35.729 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -1.972 19.268 -34.184 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.108 16.505 -33.345 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.474 18.175 -32.568 1.00 1.15 H new ATOM 846 N ASP A 56 -3.645 18.286 -40.807 1.00 0.51 N ATOM 847 CA ASP A 56 -3.378 18.001 -42.203 1.00 0.52 C ATOM 848 C ASP A 56 -1.896 17.706 -42.355 1.00 0.50 C ATOM 849 O ASP A 56 -1.059 18.602 -42.229 1.00 0.55 O ATOM 850 CB ASP A 56 -3.771 19.198 -43.063 1.00 0.58 C ATOM 851 CG ASP A 56 -4.145 18.809 -44.475 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.252 18.442 -45.261 1.00 1.35 O ATOM 853 OD2 ASP A 56 -5.345 18.880 -44.811 1.00 1.23 O ATOM 0 H ASP A 56 -3.162 19.109 -40.448 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.962 17.141 -42.530 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.612 19.713 -42.598 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.942 19.905 -43.094 1.00 0.58 H new ATOM 858 N ALA A 57 -1.574 16.449 -42.602 1.00 0.48 N ATOM 859 CA ALA A 57 -0.189 16.012 -42.585 1.00 0.48 C ATOM 860 C ALA A 57 0.311 15.646 -43.971 1.00 0.44 C ATOM 861 O ALA A 57 -0.277 14.815 -44.660 1.00 0.46 O ATOM 862 CB ALA A 57 -0.019 14.836 -41.637 1.00 0.51 C ATOM 0 H ALA A 57 -2.249 15.715 -42.816 1.00 0.48 H new ATOM 0 HA ALA A 57 0.412 16.850 -42.232 1.00 0.48 H new ATOM 0 HB1 ALA A 57 1.024 14.519 -41.634 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.310 15.135 -40.630 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.649 14.009 -41.966 1.00 0.51 H new ATOM 868 N VAL A 58 1.400 16.274 -44.369 1.00 0.42 N ATOM 869 CA VAL A 58 2.064 15.945 -45.615 1.00 0.41 C ATOM 870 C VAL A 58 3.103 14.865 -45.364 1.00 0.39 C ATOM 871 O VAL A 58 4.060 15.078 -44.614 1.00 0.41 O ATOM 872 CB VAL A 58 2.749 17.180 -46.242 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.432 16.816 -47.553 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.743 18.299 -46.458 1.00 0.55 C ATOM 0 H VAL A 58 1.848 17.023 -43.841 1.00 0.42 H new ATOM 0 HA VAL A 58 1.308 15.588 -46.314 1.00 0.41 H new ATOM 0 HB VAL A 58 3.512 17.531 -45.547 1.00 0.48 H new ATOM 0 HG11 VAL A 58 3.907 17.702 -47.974 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.188 16.052 -47.370 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.691 16.433 -48.255 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.245 19.159 -46.900 1.00 0.55 H new ATOM 0 HG22 VAL A 58 0.955 17.955 -47.128 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.307 18.586 -45.501 1.00 0.55 H new ATOM 884 N ILE A 59 2.913 13.707 -45.972 1.00 0.38 N ATOM 885 CA ILE A 59 3.809 12.593 -45.746 1.00 0.40 C ATOM 886 C ILE A 59 4.851 12.506 -46.851 1.00 0.44 C ATOM 887 O ILE A 59 4.582 12.834 -48.008 1.00 0.65 O ATOM 888 CB ILE A 59 3.075 11.235 -45.645 1.00 0.49 C ATOM 889 CG1 ILE A 59 2.782 10.658 -47.034 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.774 11.393 -44.870 1.00 0.77 C ATOM 891 CD1 ILE A 59 2.601 9.160 -47.038 1.00 0.80 C ATOM 0 H ILE A 59 2.150 13.517 -46.622 1.00 0.38 H new ATOM 0 HA ILE A 59 4.289 12.787 -44.787 1.00 0.40 H new ATOM 0 HB ILE A 59 3.729 10.542 -45.115 1.00 0.49 H new ATOM 0 HG12 ILE A 59 1.881 11.126 -47.430 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.599 10.919 -47.707 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.269 10.429 -44.807 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.991 11.755 -43.865 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.130 12.108 -45.382 1.00 0.77 H new ATOM 0 HD11 ILE A 59 2.397 8.821 -48.054 1.00 0.80 H new ATOM 0 HD12 ILE A 59 3.510 8.683 -46.672 1.00 0.80 H new ATOM 0 HD13 ILE A 59 1.765 8.893 -46.391 1.00 0.80 H new ATOM 903 N VAL A 60 6.042 12.094 -46.475 1.00 0.39 N ATOM 904 CA VAL A 60 7.106 11.847 -47.424 1.00 0.42 C ATOM 905 C VAL A 60 7.728 10.488 -47.127 1.00 0.40 C ATOM 906 O VAL A 60 8.556 10.361 -46.225 1.00 0.44 O ATOM 907 CB VAL A 60 8.180 12.954 -47.347 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.359 12.646 -48.255 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.581 14.306 -47.702 1.00 0.58 C ATOM 0 H VAL A 60 6.300 11.921 -45.504 1.00 0.39 H new ATOM 0 HA VAL A 60 6.693 11.852 -48.433 1.00 0.42 H new ATOM 0 HB VAL A 60 8.545 12.990 -46.321 1.00 0.51 H new ATOM 0 HG11 VAL A 60 10.097 13.445 -48.177 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.813 11.702 -47.954 1.00 0.58 H new ATOM 0 HG13 VAL A 60 9.014 12.570 -49.286 1.00 0.58 H new ATOM 0 HG21 VAL A 60 8.353 15.073 -47.642 1.00 0.58 H new ATOM 0 HG22 VAL A 60 7.181 14.272 -48.715 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.779 14.543 -47.003 1.00 0.58 H new ATOM 919 N SER A 61 7.304 9.466 -47.859 1.00 0.39 N ATOM 920 CA SER A 61 7.740 8.105 -47.574 1.00 0.42 C ATOM 921 C SER A 61 7.922 7.283 -48.845 1.00 0.42 C ATOM 922 O SER A 61 7.119 7.358 -49.777 1.00 0.43 O ATOM 923 CB SER A 61 6.737 7.411 -46.648 1.00 0.45 C ATOM 924 OG SER A 61 7.114 6.066 -46.402 1.00 0.84 O ATOM 0 H SER A 61 6.664 9.552 -48.648 1.00 0.39 H new ATOM 0 HA SER A 61 8.710 8.173 -47.081 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.674 7.953 -45.704 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.744 7.437 -47.097 1.00 0.45 H new ATOM 0 HG SER A 61 7.652 6.021 -45.584 1.00 0.84 H new ATOM 930 N ASN A 62 8.993 6.500 -48.866 1.00 0.51 N ATOM 931 CA ASN A 62 9.262 5.555 -49.949 1.00 0.57 C ATOM 932 C ASN A 62 8.242 4.419 -49.963 1.00 0.56 C ATOM 933 O ASN A 62 8.082 3.730 -50.969 1.00 0.59 O ATOM 934 CB ASN A 62 10.677 4.986 -49.834 1.00 0.75 C ATOM 935 CG ASN A 62 11.699 5.817 -50.586 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.219 6.849 -49.946 1.00 1.67 O flip ATOM 937 ND2 ASN A 62 12.005 5.543 -51.745 1.00 0.76 N flip ATOM 0 H ASN A 62 9.702 6.500 -48.133 1.00 0.51 H new ATOM 0 HA ASN A 62 9.177 6.102 -50.888 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.959 4.932 -48.783 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.688 3.966 -50.219 1.00 0.75 H new ATOM 0 HD21 ASN A 62 11.583 4.738 -52.207 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.681 6.121 -52.244 1.00 0.76 H new ATOM 944 N ASN A 63 7.558 4.219 -48.845 1.00 0.57 N ATOM 945 CA ASN A 63 6.578 3.140 -48.721 1.00 0.66 C ATOM 946 C ASN A 63 5.444 3.326 -49.728 1.00 0.67 C ATOM 947 O ASN A 63 4.764 2.374 -50.110 1.00 0.86 O ATOM 948 CB ASN A 63 6.017 3.102 -47.291 1.00 0.73 C ATOM 949 CG ASN A 63 5.112 1.906 -47.040 1.00 1.03 C ATOM 950 OD1 ASN A 63 5.583 0.820 -46.697 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.809 2.104 -47.185 1.00 1.00 N ATOM 0 H ASN A 63 7.662 4.790 -48.006 1.00 0.57 H new ATOM 0 HA ASN A 63 7.074 2.193 -48.933 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.845 3.079 -46.582 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.459 4.019 -47.101 1.00 0.73 H new ATOM 0 HD21 ASN A 63 3.155 1.341 -47.011 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.461 3.019 -47.471 1.00 1.00 H new ATOM 958 N PHE A 64 5.265 4.559 -50.178 1.00 0.60 N ATOM 959 CA PHE A 64 4.153 4.902 -51.047 1.00 0.67 C ATOM 960 C PHE A 64 4.583 5.036 -52.508 1.00 0.60 C ATOM 961 O PHE A 64 3.738 5.185 -53.392 1.00 0.65 O ATOM 962 CB PHE A 64 3.496 6.201 -50.564 1.00 0.80 C ATOM 963 CG PHE A 64 2.787 6.060 -49.243 1.00 1.48 C ATOM 964 CD1 PHE A 64 3.492 5.798 -48.079 1.00 1.84 C ATOM 965 CD2 PHE A 64 1.409 6.181 -49.170 1.00 2.11 C ATOM 966 CE1 PHE A 64 2.838 5.661 -46.871 1.00 2.66 C ATOM 967 CE2 PHE A 64 0.748 6.045 -47.963 1.00 2.95 C ATOM 968 CZ PHE A 64 1.464 5.785 -46.813 1.00 3.19 C ATOM 0 H PHE A 64 5.880 5.341 -49.953 1.00 0.60 H new ATOM 0 HA PHE A 64 3.431 4.087 -50.998 1.00 0.67 H new ATOM 0 HB2 PHE A 64 4.259 6.974 -50.477 1.00 0.80 H new ATOM 0 HB3 PHE A 64 2.783 6.540 -51.316 1.00 0.80 H new ATOM 0 HD1 PHE A 64 4.567 5.700 -48.117 1.00 1.84 H new ATOM 0 HD2 PHE A 64 0.844 6.384 -50.067 1.00 2.11 H new ATOM 0 HE1 PHE A 64 3.401 5.457 -45.972 1.00 2.66 H new ATOM 0 HE2 PHE A 64 -0.327 6.142 -47.921 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.951 5.679 -45.869 1.00 3.19 H new ATOM 978 N GLU A 65 5.887 4.950 -52.775 1.00 0.58 N ATOM 979 CA GLU A 65 6.388 5.136 -54.139 1.00 0.61 C ATOM 980 C GLU A 65 6.222 3.859 -54.952 1.00 0.65 C ATOM 981 O GLU A 65 6.393 3.858 -56.172 1.00 0.75 O ATOM 982 CB GLU A 65 7.856 5.602 -54.136 1.00 0.71 C ATOM 983 CG GLU A 65 8.867 4.565 -53.666 1.00 0.87 C ATOM 984 CD GLU A 65 9.417 3.710 -54.792 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.309 4.189 -55.522 1.00 2.11 O ATOM 986 OE2 GLU A 65 8.971 2.557 -54.947 1.00 2.14 O ATOM 0 H GLU A 65 6.606 4.756 -52.078 1.00 0.58 H new ATOM 0 HA GLU A 65 5.795 5.919 -54.611 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.123 5.914 -55.146 1.00 0.71 H new ATOM 0 HB3 GLU A 65 7.939 6.482 -53.498 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.693 5.073 -53.168 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.397 3.919 -52.925 1.00 0.87 H new ATOM 993 N ASP A 66 5.870 2.777 -54.265 1.00 0.69 N ATOM 994 CA ASP A 66 5.660 1.488 -54.914 1.00 0.84 C ATOM 995 C ASP A 66 4.319 1.490 -55.649 1.00 0.80 C ATOM 996 O ASP A 66 4.005 0.571 -56.404 1.00 0.93 O ATOM 997 CB ASP A 66 5.703 0.363 -53.875 1.00 1.00 C ATOM 998 CG ASP A 66 5.963 -0.999 -54.493 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.083 -1.220 -54.995 1.00 2.03 O ATOM 1000 OD2 ASP A 66 5.057 -1.860 -54.465 1.00 1.94 O ATOM 0 H ASP A 66 5.724 2.768 -53.256 1.00 0.69 H new ATOM 0 HA ASP A 66 6.456 1.318 -55.639 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.482 0.580 -53.144 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.757 0.337 -53.335 1.00 1.00 H new ATOM 1005 N LYS A 67 3.537 2.547 -55.403 1.00 0.78 N ATOM 1006 CA LYS A 67 2.257 2.779 -56.077 1.00 0.88 C ATOM 1007 C LYS A 67 1.203 1.755 -55.667 1.00 0.78 C ATOM 1008 O LYS A 67 0.187 1.591 -56.344 1.00 0.86 O ATOM 1009 CB LYS A 67 2.430 2.803 -57.602 1.00 1.17 C ATOM 1010 CG LYS A 67 3.335 3.927 -58.089 1.00 1.67 C ATOM 1011 CD LYS A 67 2.796 5.302 -57.711 1.00 2.00 C ATOM 1012 CE LYS A 67 1.816 5.849 -58.743 1.00 2.46 C ATOM 1013 NZ LYS A 67 0.621 4.983 -58.928 1.00 3.31 N ATOM 0 H LYS A 67 3.777 3.270 -54.725 1.00 0.78 H new ATOM 0 HA LYS A 67 1.901 3.759 -55.758 1.00 0.88 H new ATOM 0 HB2 LYS A 67 2.841 1.848 -57.929 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.451 2.906 -58.070 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.331 3.799 -57.665 1.00 1.67 H new ATOM 0 HG3 LYS A 67 3.439 3.864 -59.172 1.00 1.67 H new ATOM 0 HD2 LYS A 67 2.301 5.241 -56.742 1.00 2.00 H new ATOM 0 HD3 LYS A 67 3.628 5.997 -57.601 1.00 2.00 H new ATOM 0 HE2 LYS A 67 1.493 6.844 -58.437 1.00 2.46 H new ATOM 0 HE3 LYS A 67 2.328 5.960 -59.699 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -0.146 5.537 -59.359 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 0.863 4.186 -59.550 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 0.309 4.620 -58.005 1.00 3.31 H new ATOM 1027 N LYS A 68 1.435 1.089 -54.544 1.00 0.83 N ATOM 1028 CA LYS A 68 0.454 0.166 -53.986 1.00 0.90 C ATOM 1029 C LYS A 68 -0.750 0.940 -53.460 1.00 0.82 C ATOM 1030 O LYS A 68 -0.774 1.343 -52.300 1.00 0.87 O ATOM 1031 CB LYS A 68 1.069 -0.649 -52.845 1.00 1.16 C ATOM 1032 CG LYS A 68 2.251 -1.509 -53.253 1.00 1.35 C ATOM 1033 CD LYS A 68 1.826 -2.692 -54.110 1.00 1.37 C ATOM 1034 CE LYS A 68 0.973 -3.682 -53.329 1.00 1.55 C ATOM 1035 NZ LYS A 68 0.627 -4.871 -54.150 1.00 1.99 N ATOM 0 H LYS A 68 2.294 1.170 -54.001 1.00 0.83 H new ATOM 0 HA LYS A 68 0.136 -0.514 -54.776 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.387 0.034 -52.058 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.299 -1.291 -52.418 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.968 -0.901 -53.804 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.760 -1.872 -52.360 1.00 1.35 H new ATOM 0 HD2 LYS A 68 1.266 -2.332 -54.973 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.711 -3.199 -54.493 1.00 1.37 H new ATOM 0 HE2 LYS A 68 1.510 -4.000 -52.435 1.00 1.55 H new ATOM 0 HE3 LYS A 68 0.059 -3.191 -52.995 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 0.046 -5.524 -53.587 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 0.094 -4.569 -54.990 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.499 -5.353 -54.448 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.739 1.157 -54.319 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.900 1.961 -53.960 1.00 0.91 C ATOM 1051 C LEU A 69 -3.680 1.297 -52.831 1.00 0.85 C ATOM 1052 O LEU A 69 -3.835 1.869 -51.752 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.794 2.176 -55.191 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.815 3.324 -55.099 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.977 2.975 -54.178 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -4.136 4.602 -54.630 1.00 2.33 C ATOM 0 H LEU A 69 -1.760 0.787 -55.269 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.559 2.934 -53.607 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.152 2.357 -56.053 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.336 1.251 -55.386 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.221 3.482 -56.098 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.675 3.811 -54.140 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -6.490 2.091 -54.558 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.599 2.773 -53.176 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -4.872 5.404 -54.570 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -3.695 4.440 -53.646 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -3.354 4.879 -55.337 1.00 2.33 H new ATOM 1068 N LEU A 70 -4.148 0.084 -53.079 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.957 -0.631 -52.103 1.00 0.91 C ATOM 1070 C LEU A 70 -4.139 -1.001 -50.869 1.00 0.79 C ATOM 1071 O LEU A 70 -4.665 -1.042 -49.758 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.648 -1.870 -52.731 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.779 -3.079 -53.180 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.580 -2.661 -54.020 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -4.344 -3.931 -51.993 1.00 1.07 C ATOM 0 H LEU A 70 -3.982 -0.426 -53.947 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.749 0.043 -51.776 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -6.376 -2.240 -52.009 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -6.207 -1.527 -53.601 1.00 1.06 H new ATOM 0 HG LEU A 70 -5.416 -3.690 -53.819 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -3.010 -3.545 -54.305 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.926 -2.147 -54.917 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.945 -1.991 -53.440 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.739 -4.766 -52.347 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.757 -3.323 -51.305 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -5.225 -4.314 -51.478 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.847 -1.239 -51.064 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.991 -1.685 -49.972 1.00 0.70 C ATOM 1089 C ASP A 71 -1.696 -0.539 -49.014 1.00 0.63 C ATOM 1090 O ASP A 71 -1.770 -0.705 -47.801 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.690 -2.278 -50.508 1.00 0.77 C ATOM 1092 CG ASP A 71 0.115 -2.968 -49.426 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.321 -4.043 -48.957 1.00 1.58 O ATOM 1094 OD2 ASP A 71 1.198 -2.455 -49.066 1.00 2.08 O ATOM 0 H ASP A 71 -2.373 -1.132 -51.961 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.523 -2.463 -49.425 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.918 -2.992 -51.300 1.00 0.77 H new ATOM 0 HB3 ASP A 71 -0.089 -1.486 -50.956 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.388 0.631 -49.550 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.143 1.786 -48.700 1.00 0.74 C ATOM 1101 C ARG A 72 -2.448 2.227 -48.039 1.00 0.67 C ATOM 1102 O ARG A 72 -2.453 2.699 -46.908 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.502 2.937 -49.492 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.450 3.691 -50.412 1.00 1.31 C ATOM 1105 CD ARG A 72 -0.687 4.669 -51.295 1.00 1.53 C ATOM 1106 NE ARG A 72 -1.556 5.670 -51.913 1.00 1.92 N ATOM 1107 CZ ARG A 72 -1.106 6.759 -52.542 1.00 2.22 C ATOM 1108 NH1 ARG A 72 0.203 6.967 -52.669 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -1.968 7.634 -53.045 1.00 2.93 N ATOM 0 H ARG A 72 -1.303 0.806 -50.551 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.436 1.502 -47.921 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.065 3.644 -48.787 1.00 0.92 H new ATOM 0 HB3 ARG A 72 0.317 2.535 -50.089 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -1.998 2.984 -51.035 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -2.188 4.230 -49.818 1.00 1.31 H new ATOM 0 HD2 ARG A 72 0.074 5.173 -50.699 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -0.165 4.116 -52.076 1.00 1.53 H new ATOM 0 HE ARG A 72 -2.565 5.528 -51.861 1.00 1.92 H new ATOM 0 HH11 ARG A 72 0.866 6.294 -52.285 1.00 2.39 H new ATOM 0 HH12 ARG A 72 0.543 7.800 -53.150 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -2.971 7.474 -52.951 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -1.628 8.467 -53.526 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.559 2.030 -48.745 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.879 2.358 -48.220 1.00 0.71 C ATOM 1125 C HIS A 73 -5.213 1.473 -47.019 1.00 0.62 C ATOM 1126 O HIS A 73 -5.599 1.973 -45.964 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.931 2.208 -49.332 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.348 2.500 -48.918 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -7.831 3.777 -48.694 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.397 1.666 -48.724 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.115 3.709 -48.385 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.480 2.442 -48.396 1.00 1.15 N ATOM 0 H HIS A 73 -3.569 1.642 -49.688 1.00 0.68 H new ATOM 0 HA HIS A 73 -4.882 3.393 -47.878 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.665 2.873 -50.154 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.885 1.190 -49.719 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.384 0.590 -48.811 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.756 4.549 -48.161 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.417 2.094 -48.193 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.035 0.163 -47.178 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.335 -0.786 -46.108 1.00 0.59 C ATOM 1143 C ARG A 74 -4.426 -0.547 -44.900 1.00 0.51 C ATOM 1144 O ARG A 74 -4.884 -0.581 -43.759 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.209 -2.237 -46.611 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.794 -2.639 -46.990 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.753 -3.895 -47.843 1.00 0.86 C ATOM 1148 NE ARG A 74 -4.165 -5.093 -47.115 1.00 0.88 N ATOM 1149 CZ ARG A 74 -3.482 -6.240 -47.135 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.303 -6.309 -47.747 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.967 -7.312 -46.520 1.00 1.32 N ATOM 0 H ARG A 74 -4.685 -0.265 -48.035 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.366 -0.627 -45.793 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.572 -2.912 -45.836 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.857 -2.368 -47.477 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.320 -1.820 -47.532 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -3.211 -2.801 -46.083 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.402 -3.761 -48.708 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.741 -4.037 -48.222 1.00 0.86 H new ATOM 0 HE ARG A 74 -5.021 -5.051 -46.562 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.917 -5.483 -48.204 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -1.785 -7.188 -47.759 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.861 -7.259 -46.032 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.445 -8.188 -46.535 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.146 -0.273 -45.154 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.188 -0.014 -44.082 1.00 0.46 C ATOM 1167 C LEU A 75 -2.556 1.251 -43.317 1.00 0.42 C ATOM 1168 O LEU A 75 -2.637 1.240 -42.085 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.762 0.098 -44.634 1.00 0.51 C ATOM 1170 CG LEU A 75 0.089 -1.176 -44.542 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.261 -1.599 -43.091 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.526 -2.307 -45.353 1.00 1.36 C ATOM 0 H LEU A 75 -2.750 -0.225 -46.093 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.226 -0.858 -43.394 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.820 0.400 -45.680 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.247 0.896 -44.100 1.00 0.51 H new ATOM 0 HG LEU A 75 1.070 -0.954 -44.961 1.00 0.79 H new ATOM 0 HD11 LEU A 75 0.867 -2.504 -43.045 1.00 1.48 H new ATOM 0 HD12 LEU A 75 0.756 -0.802 -42.536 1.00 1.48 H new ATOM 0 HD13 LEU A 75 -0.717 -1.794 -42.651 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.099 -3.196 -45.269 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -1.524 -2.527 -44.973 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.594 -2.009 -46.399 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.792 2.337 -44.051 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.169 3.606 -43.440 1.00 0.50 C ATOM 1186 C VAL A 76 -4.419 3.447 -42.580 1.00 0.48 C ATOM 1187 O VAL A 76 -4.451 3.892 -41.438 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.400 4.711 -44.501 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.060 5.939 -43.888 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.086 5.102 -45.156 1.00 0.82 C ATOM 0 H VAL A 76 -2.728 2.362 -45.069 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.337 3.912 -42.807 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.071 4.306 -45.259 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.208 6.695 -44.659 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.024 5.660 -43.463 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -3.421 6.342 -43.103 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.267 5.879 -45.899 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -1.399 5.477 -44.398 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.648 4.230 -45.642 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.434 2.784 -43.117 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.697 2.628 -42.400 1.00 0.53 C ATOM 1202 C ASN A 77 -6.534 1.757 -41.156 1.00 0.49 C ATOM 1203 O ASN A 77 -7.242 1.951 -40.170 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.783 2.040 -43.309 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.141 2.938 -44.486 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -8.570 2.458 -45.533 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -7.961 4.242 -44.334 1.00 0.92 N ATOM 0 H ASN A 77 -5.411 2.348 -44.039 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.007 3.624 -42.083 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.446 1.075 -43.688 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.680 1.855 -42.718 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.180 4.880 -45.099 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.603 4.608 -43.452 1.00 0.92 H new ATOM 1214 N THR A 78 -5.596 0.818 -41.193 1.00 0.45 N ATOM 1215 CA THR A 78 -5.374 -0.078 -40.065 1.00 0.50 C ATOM 1216 C THR A 78 -4.816 0.678 -38.855 1.00 0.46 C ATOM 1217 O THR A 78 -5.260 0.476 -37.724 1.00 0.50 O ATOM 1218 CB THR A 78 -4.420 -1.230 -40.446 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.964 -1.968 -41.549 1.00 0.62 O ATOM 1220 CG2 THR A 78 -4.197 -2.175 -39.272 1.00 0.69 C ATOM 0 H THR A 78 -4.979 0.658 -41.989 1.00 0.45 H new ATOM 0 HA THR A 78 -6.342 -0.500 -39.796 1.00 0.50 H new ATOM 0 HB THR A 78 -3.462 -0.793 -40.726 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.710 -1.534 -42.390 1.00 0.62 H new ATOM 0 HG21 THR A 78 -3.521 -2.975 -39.573 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.760 -1.624 -38.439 1.00 0.69 H new ATOM 0 HG23 THR A 78 -5.151 -2.603 -38.963 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.851 1.559 -39.090 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.255 2.332 -38.003 1.00 0.45 C ATOM 1230 C ILE A 79 -4.137 3.532 -37.648 1.00 0.45 C ATOM 1231 O ILE A 79 -4.387 3.821 -36.471 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.813 2.803 -38.344 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.820 1.633 -38.275 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.364 3.918 -37.407 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.958 0.625 -39.397 1.00 0.77 C ATOM 0 H ILE A 79 -3.466 1.756 -40.014 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.188 1.672 -37.138 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.829 3.189 -39.363 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.194 2.033 -38.285 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -0.950 1.118 -37.323 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.352 4.228 -37.669 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.040 4.768 -37.503 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.378 3.557 -36.379 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.219 -0.166 -39.269 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.958 0.193 -39.377 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.796 1.121 -40.354 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.644 4.207 -38.670 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.497 5.364 -38.456 1.00 0.52 C ATOM 1249 C LEU A 80 -6.875 4.946 -37.962 1.00 0.56 C ATOM 1250 O LEU A 80 -7.713 5.789 -37.660 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.604 6.229 -39.714 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.450 7.224 -39.925 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.139 6.506 -40.215 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.787 8.193 -41.046 1.00 0.71 C ATOM 0 H LEU A 80 -4.480 3.974 -39.649 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.030 5.972 -37.681 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.660 5.573 -40.583 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.540 6.786 -39.674 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.320 7.786 -39.000 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.346 7.240 -40.359 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.886 5.858 -39.376 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.245 5.905 -41.118 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.961 8.891 -41.184 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.951 7.638 -41.970 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.691 8.746 -40.790 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.100 3.639 -37.881 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.278 3.101 -37.216 1.00 0.68 C ATOM 1268 C LYS A 81 -8.393 3.700 -35.820 1.00 0.68 C ATOM 1269 O LYS A 81 -9.337 4.421 -35.523 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.182 1.568 -37.145 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.100 0.914 -36.117 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.569 1.058 -36.469 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.439 0.404 -35.407 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.882 0.439 -35.759 1.00 1.93 N ATOM 0 H LYS A 81 -6.478 2.931 -38.270 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.171 3.364 -37.783 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.412 1.158 -38.129 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.152 1.293 -36.918 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -8.852 -0.144 -36.036 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -8.919 1.360 -35.139 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.826 2.114 -36.558 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -10.763 0.600 -37.439 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.126 -0.631 -35.271 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.288 0.911 -34.454 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.434 -0.018 -35.006 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.190 1.427 -35.863 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.033 -0.067 -36.655 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.412 3.421 -34.975 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.406 3.962 -33.623 1.00 0.73 C ATOM 1290 C GLU A 82 -7.022 5.435 -33.644 1.00 0.67 C ATOM 1291 O GLU A 82 -7.498 6.224 -32.831 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.415 3.203 -32.743 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.514 1.692 -32.857 1.00 1.53 C ATOM 1294 CD GLU A 82 -5.487 0.990 -31.996 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.278 1.152 -32.259 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -5.884 0.270 -31.056 1.00 2.91 O ATOM 0 H GLU A 82 -6.614 2.827 -35.199 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.410 3.851 -33.213 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -5.403 3.511 -33.006 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.576 3.489 -31.704 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.513 1.371 -32.563 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.377 1.397 -33.897 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.157 5.785 -34.584 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.618 7.137 -34.698 1.00 0.64 C ATOM 1305 C GLU A 83 -6.725 8.181 -34.773 1.00 0.55 C ATOM 1306 O GLU A 83 -6.789 9.118 -33.973 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.825 7.210 -35.979 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.666 8.148 -35.925 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.480 7.508 -35.236 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.492 7.430 -33.991 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.568 7.024 -35.933 1.00 1.66 O ATOM 0 H GLU A 83 -5.807 5.140 -35.292 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.007 7.343 -33.819 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.460 6.213 -36.225 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.489 7.516 -36.788 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.387 8.445 -36.936 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -3.953 9.056 -35.394 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.589 7.987 -35.756 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.762 8.838 -35.977 1.00 0.48 C ATOM 1320 C LEU A 84 -9.595 9.042 -34.712 1.00 0.52 C ATOM 1321 O LEU A 84 -10.231 10.081 -34.565 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.653 8.276 -37.089 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.030 8.264 -38.486 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.045 7.798 -39.516 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.487 9.641 -38.854 1.00 0.51 C ATOM 0 H LEU A 84 -7.501 7.229 -36.433 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.372 9.810 -36.279 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -9.933 7.256 -36.826 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.572 8.860 -37.125 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.195 7.563 -38.479 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.585 7.795 -40.504 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.378 6.790 -39.268 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.900 8.474 -39.515 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.050 9.605 -39.852 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.299 10.368 -38.840 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.724 9.936 -38.134 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.621 8.056 -33.812 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.418 8.165 -32.582 1.00 0.67 C ATOM 1339 C GLN A 85 -10.067 9.429 -31.793 1.00 0.70 C ATOM 1340 O GLN A 85 -10.880 9.935 -31.020 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.223 6.955 -31.657 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.729 5.622 -32.197 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.802 5.762 -33.255 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.983 5.915 -32.953 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.398 5.655 -34.505 1.00 0.72 N ATOM 0 H GLN A 85 -9.106 7.181 -33.907 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.458 8.207 -32.907 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.160 6.857 -31.437 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.727 7.158 -30.712 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.889 5.067 -32.615 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.122 5.031 -31.370 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.407 5.529 -34.712 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.076 5.698 -35.266 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.858 9.937 -31.994 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.383 11.090 -31.238 1.00 0.71 C ATOM 1356 C ASN A 86 -8.446 12.372 -32.063 1.00 0.67 C ATOM 1357 O ASN A 86 -8.091 13.447 -31.578 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.949 10.858 -30.759 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.840 9.686 -29.803 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.989 9.845 -28.593 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.568 8.503 -30.337 1.00 0.87 N ATOM 0 H ASN A 86 -8.190 9.571 -32.672 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.041 11.208 -30.377 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.305 10.681 -31.621 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.583 11.759 -30.267 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.475 7.682 -29.738 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.452 8.414 -31.346 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.905 12.264 -33.303 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.938 13.411 -34.203 1.00 0.62 C ATOM 1370 C ILE A 87 -10.340 13.604 -34.765 1.00 0.67 C ATOM 1371 O ILE A 87 -11.028 12.635 -35.082 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.948 13.246 -35.380 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.622 12.661 -34.887 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.714 14.587 -36.065 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.595 12.459 -35.978 1.00 0.59 C ATOM 0 H ILE A 87 -9.259 11.397 -33.708 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.644 14.283 -33.619 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.382 12.556 -36.103 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.205 13.323 -34.128 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.817 11.704 -34.404 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.015 14.456 -36.891 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.660 14.971 -36.447 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.299 15.295 -35.347 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.685 12.042 -35.548 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -5.990 11.773 -36.727 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.369 13.417 -36.447 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.776 14.850 -34.871 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.064 15.137 -35.483 1.00 0.80 C ATOM 1389 C HIS A 88 -11.993 14.874 -36.985 1.00 0.76 C ATOM 1390 O HIS A 88 -12.910 14.299 -37.568 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.493 16.583 -35.211 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.907 16.880 -35.628 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.994 16.642 -34.817 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.405 17.397 -36.778 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.099 16.998 -35.447 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.769 17.458 -36.637 1.00 1.85 N ATOM 0 H HIS A 88 -10.264 15.670 -34.545 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.812 14.479 -35.041 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.386 16.791 -34.146 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.818 17.258 -35.737 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.835 17.703 -37.643 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.102 16.925 -35.054 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.422 17.804 -37.340 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.893 15.291 -37.601 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.674 15.067 -39.024 1.00 0.68 C ATOM 1407 C ALA A 89 -9.187 15.124 -39.354 1.00 0.62 C ATOM 1408 O ALA A 89 -8.560 16.177 -39.246 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.439 16.093 -39.847 1.00 0.78 C ATOM 0 H ALA A 89 -10.135 15.789 -37.134 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.044 14.073 -39.276 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.265 15.912 -40.908 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.505 16.008 -39.635 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.096 17.095 -39.589 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.621 13.984 -39.718 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.225 13.926 -40.130 1.00 0.47 C ATOM 1417 C PHE A 90 -7.120 13.818 -41.647 1.00 0.48 C ATOM 1418 O PHE A 90 -7.659 12.890 -42.254 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.519 12.740 -39.468 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.051 12.655 -39.782 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.136 13.435 -39.094 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.586 11.791 -40.761 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.786 13.355 -39.375 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.237 11.707 -41.048 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.336 12.490 -40.354 1.00 0.49 C ATOM 0 H PHE A 90 -9.105 13.086 -39.737 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.736 14.846 -39.810 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.646 12.810 -38.388 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.003 11.817 -39.787 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.482 14.114 -38.329 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.287 11.176 -41.306 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.083 13.968 -38.830 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -2.888 11.030 -41.814 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.281 12.426 -40.576 1.00 0.49 H new ATOM 1435 N SER A 91 -6.432 14.776 -42.245 1.00 0.44 N ATOM 1436 CA SER A 91 -6.199 14.778 -43.678 1.00 0.48 C ATOM 1437 C SER A 91 -4.717 14.528 -43.954 1.00 0.45 C ATOM 1438 O SER A 91 -3.860 14.926 -43.161 1.00 0.52 O ATOM 1439 CB SER A 91 -6.629 16.118 -44.277 1.00 0.56 C ATOM 1440 OG SER A 91 -7.927 16.487 -43.834 1.00 1.27 O ATOM 0 H SER A 91 -6.022 15.570 -41.753 1.00 0.44 H new ATOM 0 HA SER A 91 -6.788 13.986 -44.140 1.00 0.48 H new ATOM 0 HB2 SER A 91 -5.913 16.891 -43.997 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.618 16.053 -45.365 1.00 0.56 H new ATOM 0 HG SER A 91 -8.523 16.579 -44.607 1.00 1.27 H new ATOM 1446 N MET A 92 -4.410 13.862 -45.056 1.00 0.48 N ATOM 1447 CA MET A 92 -3.025 13.552 -45.378 1.00 0.48 C ATOM 1448 C MET A 92 -2.721 13.820 -46.850 1.00 0.53 C ATOM 1449 O MET A 92 -3.560 13.595 -47.722 1.00 0.62 O ATOM 1450 CB MET A 92 -2.695 12.091 -45.031 1.00 0.52 C ATOM 1451 CG MET A 92 -3.336 11.058 -45.955 1.00 0.61 C ATOM 1452 SD MET A 92 -5.138 11.007 -45.838 1.00 0.64 S ATOM 1453 CE MET A 92 -5.353 10.433 -44.155 1.00 0.64 C ATOM 0 H MET A 92 -5.093 13.528 -45.737 1.00 0.48 H new ATOM 0 HA MET A 92 -2.397 14.208 -44.774 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.613 11.961 -45.057 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.016 11.893 -44.008 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.053 11.277 -46.984 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.936 10.072 -45.718 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.229 9.786 -44.100 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.470 9.875 -43.845 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.492 11.288 -43.494 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.525 14.327 -47.109 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.032 14.502 -48.468 1.00 0.59 C ATOM 1465 C LYS A 93 0.079 13.502 -48.731 1.00 0.49 C ATOM 1466 O LYS A 93 1.147 13.575 -48.133 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.523 15.930 -48.706 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.601 16.919 -49.136 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.746 16.970 -48.144 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.722 18.089 -48.460 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.813 18.162 -47.458 1.00 2.23 N ATOM 0 H LYS A 93 -0.871 14.628 -46.387 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.858 14.329 -49.157 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -0.057 16.294 -47.790 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.254 15.903 -49.470 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -1.163 17.912 -49.237 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.983 16.637 -50.117 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -3.274 16.016 -48.150 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.349 17.108 -47.138 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -3.189 19.040 -48.489 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.148 17.932 -49.451 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.209 19.124 -47.445 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -5.560 17.484 -47.709 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.436 17.930 -46.517 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.186 12.569 -49.617 1.00 0.56 N ATOM 1486 CA CYS A 94 0.753 11.498 -49.901 1.00 0.54 C ATOM 1487 C CYS A 94 1.807 11.941 -50.911 1.00 0.52 C ATOM 1488 O CYS A 94 1.485 12.276 -52.052 1.00 0.64 O ATOM 1489 CB CYS A 94 -0.003 10.272 -50.414 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.214 10.641 -51.707 1.00 1.38 S ATOM 0 H CYS A 94 -1.049 12.527 -50.159 1.00 0.56 H new ATOM 0 HA CYS A 94 1.271 11.238 -48.978 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.716 9.550 -50.800 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.514 9.797 -49.577 1.00 0.73 H new ATOM 0 HG CYS A 94 -0.719 11.520 -52.527 1.00 1.38 H new ATOM 1496 N HIS A 95 3.061 11.972 -50.477 1.00 0.44 N ATOM 1497 CA HIS A 95 4.168 12.296 -51.368 1.00 0.50 C ATOM 1498 C HIS A 95 5.412 11.478 -51.030 1.00 0.44 C ATOM 1499 O HIS A 95 5.490 10.835 -49.981 1.00 0.44 O ATOM 1500 CB HIS A 95 4.492 13.793 -51.329 1.00 0.62 C ATOM 1501 CG HIS A 95 3.792 14.578 -52.398 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.236 15.824 -52.193 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.584 14.289 -53.704 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.719 16.262 -53.327 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.916 15.350 -54.259 1.00 1.98 N ATOM 0 H HIS A 95 3.337 11.777 -49.515 1.00 0.44 H new ATOM 0 HA HIS A 95 3.854 12.038 -52.379 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.215 14.193 -50.354 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.568 13.928 -51.434 1.00 0.62 H new ATOM 0 HD2 HIS A 95 3.888 13.388 -54.215 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.219 17.209 -53.467 1.00 1.65 H new ATOM 0 HE2 HIS A 95 2.620 15.422 -55.232 1.00 1.98 H new ATOM 1514 N THR A 96 6.375 11.501 -51.939 1.00 0.46 N ATOM 1515 CA THR A 96 7.613 10.763 -51.777 1.00 0.49 C ATOM 1516 C THR A 96 8.798 11.713 -51.632 1.00 0.46 C ATOM 1517 O THR A 96 8.693 12.895 -51.967 1.00 0.47 O ATOM 1518 CB THR A 96 7.847 9.849 -52.991 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.674 10.604 -54.197 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.892 8.666 -52.970 1.00 0.65 C ATOM 0 H THR A 96 6.318 12.032 -52.808 1.00 0.46 H new ATOM 0 HA THR A 96 7.529 10.161 -50.873 1.00 0.49 H new ATOM 0 HB THR A 96 8.865 9.461 -52.948 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.825 10.023 -54.971 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.077 8.034 -53.839 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.050 8.087 -52.060 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.864 9.028 -52.996 1.00 0.65 H new ATOM 1528 N PRO A 97 9.944 11.213 -51.139 1.00 0.47 N ATOM 1529 CA PRO A 97 11.168 12.014 -51.005 1.00 0.48 C ATOM 1530 C PRO A 97 11.657 12.533 -52.350 1.00 0.52 C ATOM 1531 O PRO A 97 12.355 13.542 -52.421 1.00 0.54 O ATOM 1532 CB PRO A 97 12.185 11.033 -50.414 1.00 0.53 C ATOM 1533 CG PRO A 97 11.362 9.958 -49.797 1.00 0.72 C ATOM 1534 CD PRO A 97 10.138 9.838 -50.655 1.00 0.51 C ATOM 0 HA PRO A 97 11.009 12.899 -50.388 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.844 10.634 -51.185 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.820 11.520 -49.673 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.910 9.016 -49.763 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.097 10.209 -48.770 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.287 9.137 -51.476 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.278 9.484 -50.086 1.00 0.51 H new ATOM 1542 N LEU A 98 11.272 11.837 -53.414 1.00 0.60 N ATOM 1543 CA LEU A 98 11.630 12.240 -54.767 1.00 0.71 C ATOM 1544 C LEU A 98 10.946 13.557 -55.118 1.00 0.66 C ATOM 1545 O LEU A 98 11.591 14.503 -55.578 1.00 0.71 O ATOM 1546 CB LEU A 98 11.240 11.160 -55.794 1.00 0.88 C ATOM 1547 CG LEU A 98 12.016 9.833 -55.722 1.00 1.34 C ATOM 1548 CD1 LEU A 98 13.516 10.087 -55.693 1.00 2.08 C ATOM 1549 CD2 LEU A 98 11.585 9.001 -54.522 1.00 1.78 C ATOM 0 H LEU A 98 10.710 10.988 -53.364 1.00 0.60 H new ATOM 0 HA LEU A 98 12.712 12.370 -54.804 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.179 10.942 -55.674 1.00 0.88 H new ATOM 0 HB3 LEU A 98 11.368 11.577 -56.793 1.00 0.88 H new ATOM 0 HG LEU A 98 11.781 9.263 -56.621 1.00 1.34 H new ATOM 0 HD11 LEU A 98 14.045 9.135 -55.642 1.00 2.08 H new ATOM 0 HD12 LEU A 98 13.812 10.619 -56.597 1.00 2.08 H new ATOM 0 HD13 LEU A 98 13.766 10.689 -54.819 1.00 2.08 H new ATOM 0 HD21 LEU A 98 12.153 8.071 -54.501 1.00 1.78 H new ATOM 0 HD22 LEU A 98 11.772 9.560 -53.605 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.521 8.775 -54.599 1.00 1.78 H new ATOM 1561 N GLU A 99 9.641 13.621 -54.873 1.00 0.65 N ATOM 1562 CA GLU A 99 8.870 14.820 -55.164 1.00 0.72 C ATOM 1563 C GLU A 99 9.114 15.888 -54.103 1.00 0.64 C ATOM 1564 O GLU A 99 9.063 17.083 -54.389 1.00 0.71 O ATOM 1565 CB GLU A 99 7.377 14.494 -55.269 1.00 0.88 C ATOM 1566 CG GLU A 99 7.051 13.505 -56.378 1.00 1.19 C ATOM 1567 CD GLU A 99 5.568 13.424 -56.679 1.00 1.91 C ATOM 1568 OE1 GLU A 99 5.084 14.225 -57.509 1.00 2.44 O ATOM 1569 OE2 GLU A 99 4.881 12.562 -56.095 1.00 2.69 O ATOM 0 H GLU A 99 9.097 12.856 -54.474 1.00 0.65 H new ATOM 0 HA GLU A 99 9.201 15.211 -56.126 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.034 14.088 -54.318 1.00 0.88 H new ATOM 0 HB3 GLU A 99 6.822 15.417 -55.440 1.00 0.88 H new ATOM 0 HG2 GLU A 99 7.585 13.793 -57.283 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.414 12.517 -56.095 1.00 1.19 H new ATOM 1576 N TYR A 100 9.392 15.453 -52.879 1.00 0.57 N ATOM 1577 CA TYR A 100 9.698 16.377 -51.793 1.00 0.63 C ATOM 1578 C TYR A 100 11.020 17.098 -52.045 1.00 0.66 C ATOM 1579 O TYR A 100 11.132 18.302 -51.812 1.00 0.76 O ATOM 1580 CB TYR A 100 9.741 15.638 -50.454 1.00 0.67 C ATOM 1581 CG TYR A 100 10.212 16.497 -49.302 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.475 17.598 -48.884 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.396 16.208 -48.637 1.00 0.96 C ATOM 1584 CE1 TYR A 100 9.909 18.391 -47.840 1.00 1.17 C ATOM 1585 CE2 TYR A 100 11.834 16.993 -47.590 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.089 18.083 -47.196 1.00 1.24 C ATOM 1587 OH TYR A 100 11.530 18.871 -46.158 1.00 1.46 O ATOM 0 H TYR A 100 9.412 14.468 -52.614 1.00 0.57 H new ATOM 0 HA TYR A 100 8.905 17.124 -51.753 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.746 15.256 -50.228 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.401 14.775 -50.546 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.548 17.838 -49.383 1.00 0.98 H new ATOM 0 HD2 TYR A 100 11.984 15.355 -48.944 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.328 19.247 -47.530 1.00 1.17 H new ATOM 0 HE2 TYR A 100 12.757 16.754 -47.082 1.00 1.15 H new ATOM 0 HH TYR A 100 11.078 18.605 -45.330 1.00 1.46 H new ATOM 1597 N ASP A 101 12.014 16.359 -52.532 1.00 0.66 N ATOM 1598 CA ASP A 101 13.316 16.938 -52.854 1.00 0.78 C ATOM 1599 C ASP A 101 13.169 18.071 -53.856 1.00 0.81 C ATOM 1600 O ASP A 101 13.851 19.090 -53.765 1.00 0.93 O ATOM 1601 CB ASP A 101 14.255 15.877 -53.419 1.00 0.88 C ATOM 1602 CG ASP A 101 15.533 16.478 -53.969 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.429 16.825 -53.169 1.00 1.23 O ATOM 1604 OD2 ASP A 101 15.647 16.606 -55.203 1.00 1.14 O ATOM 0 H ASP A 101 11.943 15.358 -52.712 1.00 0.66 H new ATOM 0 HA ASP A 101 13.741 17.333 -51.931 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.501 15.158 -52.637 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.745 15.326 -54.209 1.00 0.88 H new ATOM 1609 N LYS A 102 12.262 17.890 -54.803 1.00 0.75 N ATOM 1610 CA LYS A 102 11.993 18.900 -55.808 1.00 0.84 C ATOM 1611 C LYS A 102 11.572 20.202 -55.155 1.00 0.89 C ATOM 1612 O LYS A 102 12.110 21.258 -55.465 1.00 1.05 O ATOM 1613 CB LYS A 102 10.910 18.418 -56.761 1.00 0.88 C ATOM 1614 CG LYS A 102 11.436 17.509 -57.854 1.00 1.03 C ATOM 1615 CD LYS A 102 10.393 16.496 -58.274 1.00 1.09 C ATOM 1616 CE LYS A 102 9.068 17.150 -58.641 1.00 1.86 C ATOM 1617 NZ LYS A 102 9.158 17.959 -59.886 1.00 2.66 N ATOM 0 H LYS A 102 11.697 17.046 -54.895 1.00 0.75 H new ATOM 0 HA LYS A 102 12.908 19.076 -56.374 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.146 17.888 -56.193 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.426 19.282 -57.217 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.734 18.107 -58.716 1.00 1.03 H new ATOM 0 HG3 LYS A 102 12.328 16.991 -57.502 1.00 1.03 H new ATOM 0 HD2 LYS A 102 10.764 15.928 -59.127 1.00 1.09 H new ATOM 0 HD3 LYS A 102 10.233 15.785 -57.463 1.00 1.09 H new ATOM 0 HE2 LYS A 102 8.308 16.379 -58.767 1.00 1.86 H new ATOM 0 HE3 LYS A 102 8.742 17.788 -57.820 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 8.200 18.185 -60.223 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 9.673 18.841 -59.690 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 9.663 17.417 -60.616 1.00 2.66 H new ATOM 1631 N LEU A 103 10.640 20.104 -54.221 1.00 0.83 N ATOM 1632 CA LEU A 103 10.067 21.273 -53.564 1.00 0.97 C ATOM 1633 C LEU A 103 11.098 21.996 -52.698 1.00 1.12 C ATOM 1634 O LEU A 103 11.176 23.226 -52.696 1.00 1.31 O ATOM 1635 CB LEU A 103 8.878 20.852 -52.695 1.00 0.98 C ATOM 1636 CG LEU A 103 7.813 20.010 -53.403 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.689 19.651 -52.444 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.267 20.747 -54.615 1.00 1.00 C ATOM 0 H LEU A 103 10.259 19.216 -53.896 1.00 0.83 H new ATOM 0 HA LEU A 103 9.735 21.960 -54.342 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.255 20.288 -51.842 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.403 21.750 -52.299 1.00 0.98 H new ATOM 0 HG LEU A 103 8.279 19.086 -53.745 1.00 0.91 H new ATOM 0 HD11 LEU A 103 5.942 19.053 -52.966 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.092 19.079 -51.608 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.225 20.563 -52.069 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.512 20.132 -55.105 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.819 21.688 -54.297 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.079 20.950 -55.314 1.00 1.00 H new ATOM 1650 N LYS A 104 11.897 21.226 -51.975 1.00 1.09 N ATOM 1651 CA LYS A 104 12.814 21.793 -50.995 1.00 1.27 C ATOM 1652 C LYS A 104 14.120 22.279 -51.630 1.00 1.37 C ATOM 1653 O LYS A 104 14.641 23.329 -51.256 1.00 1.56 O ATOM 1654 CB LYS A 104 13.126 20.766 -49.904 1.00 1.32 C ATOM 1655 CG LYS A 104 13.826 19.520 -50.425 1.00 1.07 C ATOM 1656 CD LYS A 104 14.438 18.713 -49.300 1.00 1.22 C ATOM 1657 CE LYS A 104 15.711 18.022 -49.753 1.00 1.45 C ATOM 1658 NZ LYS A 104 16.792 19.002 -50.038 1.00 1.84 N ATOM 0 H LYS A 104 11.930 20.209 -52.047 1.00 1.09 H new ATOM 0 HA LYS A 104 12.316 22.659 -50.559 1.00 1.27 H new ATOM 0 HB2 LYS A 104 13.752 21.234 -49.144 1.00 1.32 H new ATOM 0 HB3 LYS A 104 12.197 20.473 -49.415 1.00 1.32 H new ATOM 0 HG2 LYS A 104 13.112 18.902 -50.970 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.604 19.808 -51.132 1.00 1.07 H new ATOM 0 HD2 LYS A 104 14.656 19.367 -48.456 1.00 1.22 H new ATOM 0 HD3 LYS A 104 13.722 17.970 -48.950 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.043 17.327 -48.982 1.00 1.45 H new ATOM 0 HE3 LYS A 104 15.508 17.433 -50.647 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 17.712 18.589 -49.783 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 16.788 19.239 -51.051 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 16.634 19.865 -49.480 1.00 1.84 H new ATOM 1672 N SER A 105 14.651 21.517 -52.577 1.00 1.32 N ATOM 1673 CA SER A 105 15.972 21.800 -53.121 1.00 1.51 C ATOM 1674 C SER A 105 15.923 22.864 -54.213 1.00 1.66 C ATOM 1675 O SER A 105 16.676 23.837 -54.173 1.00 1.77 O ATOM 1676 CB SER A 105 16.597 20.513 -53.661 1.00 1.59 C ATOM 1677 OG SER A 105 16.578 19.493 -52.674 1.00 2.05 O ATOM 0 H SER A 105 14.190 20.702 -52.983 1.00 1.32 H new ATOM 0 HA SER A 105 16.589 22.193 -52.313 1.00 1.51 H new ATOM 0 HB2 SER A 105 16.052 20.181 -54.545 1.00 1.59 H new ATOM 0 HB3 SER A 105 17.624 20.705 -53.973 1.00 1.59 H new ATOM 0 HG SER A 105 16.502 18.618 -53.109 1.00 2.05 H new ATOM 1683 N LYS A 106 15.036 22.692 -55.182 1.00 1.79 N ATOM 1684 CA LYS A 106 14.995 23.607 -56.319 1.00 2.10 C ATOM 1685 C LYS A 106 13.669 24.356 -56.416 1.00 2.28 C ATOM 1686 O LYS A 106 13.648 25.585 -56.478 1.00 2.61 O ATOM 1687 CB LYS A 106 15.300 22.879 -57.640 1.00 2.43 C ATOM 1688 CG LYS A 106 14.599 21.537 -57.823 1.00 2.59 C ATOM 1689 CD LYS A 106 15.450 20.382 -57.307 1.00 2.88 C ATOM 1690 CE LYS A 106 14.935 19.043 -57.812 1.00 3.39 C ATOM 1691 NZ LYS A 106 15.850 17.924 -57.466 1.00 4.02 N ATOM 0 H LYS A 106 14.345 21.942 -55.208 1.00 1.79 H new ATOM 0 HA LYS A 106 15.776 24.347 -56.145 1.00 2.10 H new ATOM 0 HB2 LYS A 106 15.021 23.531 -58.468 1.00 2.43 H new ATOM 0 HB3 LYS A 106 16.376 22.720 -57.708 1.00 2.43 H new ATOM 0 HG2 LYS A 106 13.645 21.550 -57.296 1.00 2.59 H new ATOM 0 HG3 LYS A 106 14.378 21.383 -58.879 1.00 2.59 H new ATOM 0 HD2 LYS A 106 16.483 20.519 -57.625 1.00 2.88 H new ATOM 0 HD3 LYS A 106 15.449 20.386 -56.217 1.00 2.88 H new ATOM 0 HE2 LYS A 106 13.950 18.850 -57.386 1.00 3.39 H new ATOM 0 HE3 LYS A 106 14.811 19.088 -58.894 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 15.627 17.098 -58.057 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 16.834 18.215 -57.635 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 15.730 17.675 -56.463 1.00 4.02 H new ATOM 1705 N GLY A 107 12.572 23.628 -56.419 1.00 2.51 N ATOM 1706 CA GLY A 107 11.274 24.240 -56.587 1.00 2.97 C ATOM 1707 C GLY A 107 10.406 23.450 -57.539 1.00 3.39 C ATOM 1708 O GLY A 107 9.221 23.254 -57.294 1.00 3.92 O ATOM 0 H GLY A 107 12.555 22.614 -56.307 1.00 2.51 H new ATOM 0 HA2 GLY A 107 10.778 24.315 -55.619 1.00 2.97 H new ATOM 0 HA3 GLY A 107 11.396 25.256 -56.963 1.00 2.97 H new ATOM 1712 N SER A 108 11.003 22.984 -58.628 1.00 3.41 N ATOM 1713 CA SER A 108 10.290 22.186 -59.613 1.00 4.00 C ATOM 1714 C SER A 108 11.196 21.085 -60.155 1.00 4.47 C ATOM 1715 O SER A 108 12.145 21.405 -60.896 1.00 4.98 O ATOM 1716 CB SER A 108 9.785 23.073 -60.752 1.00 4.21 C ATOM 1717 OG SER A 108 8.902 24.078 -60.268 1.00 4.39 O ATOM 1718 OXT SER A 108 10.960 19.903 -59.832 1.00 4.69 O ATOM 0 H SER A 108 11.985 23.147 -58.851 1.00 3.41 H new ATOM 0 HA SER A 108 9.430 21.722 -59.131 1.00 4.00 H new ATOM 0 HB2 SER A 108 10.631 23.540 -61.255 1.00 4.21 H new ATOM 0 HB3 SER A 108 9.272 22.461 -61.493 1.00 4.21 H new ATOM 0 HG SER A 108 8.595 24.632 -61.016 1.00 4.39 H new TER 1724 SER A 108