USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=31 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 73 HIS : no HD1:sc= 0 K(o=-1.1,f=-0.024) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.024) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.33 (180deg=0.311) 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= -0.0902 K(o=-0.09,f=-0.6) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.6!) USER MOD Single : A 8 HIS : no HD1:sc= -0.204 X(o=-0.2,f=0.038) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.838 K(o=0.84,f=-1.2) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.149 K(o=0.15,f=-0.61) USER MOD Single : A 22 HIS : no HD1:sc= 0.771 K(o=0.77,f=-5.6!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 0.00914 (180deg=-0.41) USER MOD Single : A 32 LYS NZ :NH3+ -114:sc= -1 (180deg=-2.07!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.107 USER MOD Single : A 35 SER OG : rot 72:sc= 1.21 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= 1.19 (180deg=1.06) USER MOD Single : A 48 SER OG : rot 100:sc= 0.279 USER MOD Single : A 49 CYS SG : rot 180:sc= 0.0838 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 -81:sc= -0.559 USER MOD Single : A 61 SER OG : rot 88:sc= 1.77 USER MOD Single : A 62 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.89) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= 1.16 (180deg=0.19) USER MOD Single : A 78 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.8 K(o=0.8,f=-0.36) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 88 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -150:sc= -0.111 (180deg=-0.624) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 115:sc= 0.0527 USER MOD Single : A 95 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.028) USER MOD Single : A 96 THR OG1 : rot 94:sc= 1.13 USER MOD Single : A 100 TYR OH : rot 73:sc= 0.229 USER MOD Single : A 102 LYS NZ :NH3+ -177:sc= 0.758 (180deg=0.695) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= -0.0961 USER MOD Single : A 106 LYS NZ :NH3+ 151:sc= 1.16 (180deg=0.851) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.666 -2.952 -1.993 1.00 34.77 N ATOM 2 CA MET A 1 17.689 -1.840 -1.981 1.00 34.67 C ATOM 3 C MET A 1 16.324 -2.349 -1.540 1.00 34.12 C ATOM 4 O MET A 1 15.823 -3.343 -2.066 1.00 34.13 O ATOM 5 CB MET A 1 17.570 -1.194 -3.369 1.00 35.09 C ATOM 6 CG MET A 1 18.859 -0.567 -3.883 1.00 35.29 C ATOM 7 SD MET A 1 20.085 -1.791 -4.392 1.00 35.98 S ATOM 8 CE MET A 1 21.417 -0.724 -4.937 1.00 36.14 C ATOM 0 H1 MET A 1 19.489 -2.684 -2.569 1.00 34.77 H new ATOM 0 H2 MET A 1 18.975 -3.154 -1.020 1.00 34.77 H new ATOM 0 H3 MET A 1 18.221 -3.800 -2.398 1.00 34.77 H new ATOM 0 HA MET A 1 18.045 -1.088 -1.277 1.00 34.67 H new ATOM 0 HB2 MET A 1 17.239 -1.950 -4.081 1.00 35.09 H new ATOM 0 HB3 MET A 1 16.796 -0.427 -3.335 1.00 35.09 H new ATOM 0 HG2 MET A 1 18.629 0.082 -4.728 1.00 35.29 H new ATOM 0 HG3 MET A 1 19.286 0.064 -3.103 1.00 35.29 H new ATOM 0 HE1 MET A 1 22.252 -1.333 -5.283 1.00 36.14 H new ATOM 0 HE2 MET A 1 21.066 -0.092 -5.753 1.00 36.14 H new ATOM 0 HE3 MET A 1 21.744 -0.097 -4.107 1.00 36.14 H new ATOM 20 N GLY A 2 15.732 -1.679 -0.562 1.00 33.70 N ATOM 21 CA GLY A 2 14.426 -2.078 -0.076 1.00 33.20 C ATOM 22 C GLY A 2 13.657 -0.918 0.518 1.00 32.51 C ATOM 23 O GLY A 2 13.204 -0.980 1.660 1.00 32.38 O ATOM 0 H GLY A 2 16.133 -0.865 -0.096 1.00 33.70 H new ATOM 0 HA2 GLY A 2 13.852 -2.510 -0.896 1.00 33.20 H new ATOM 0 HA3 GLY A 2 14.543 -2.857 0.677 1.00 33.20 H new ATOM 27 N SER A 3 13.511 0.143 -0.256 1.00 32.14 N ATOM 28 CA SER A 3 12.809 1.330 0.203 1.00 31.53 C ATOM 29 C SER A 3 11.534 1.546 -0.606 1.00 30.66 C ATOM 30 O SER A 3 11.587 1.865 -1.792 1.00 30.36 O ATOM 31 CB SER A 3 13.723 2.550 0.093 1.00 31.79 C ATOM 32 OG SER A 3 14.903 2.368 0.861 1.00 32.35 O ATOM 0 H SER A 3 13.870 0.207 -1.208 1.00 32.14 H new ATOM 0 HA SER A 3 12.530 1.190 1.247 1.00 31.53 H new ATOM 0 HB2 SER A 3 13.986 2.720 -0.951 1.00 31.79 H new ATOM 0 HB3 SER A 3 13.194 3.439 0.437 1.00 31.79 H new ATOM 0 HG SER A 3 15.474 3.159 0.775 1.00 32.35 H new ATOM 38 N SER A 4 10.395 1.354 0.041 1.00 30.35 N ATOM 39 CA SER A 4 9.107 1.528 -0.607 1.00 29.61 C ATOM 40 C SER A 4 8.234 2.473 0.214 1.00 28.85 C ATOM 41 O SER A 4 7.788 2.129 1.312 1.00 28.81 O ATOM 42 CB SER A 4 8.418 0.168 -0.779 1.00 29.84 C ATOM 43 OG SER A 4 7.197 0.288 -1.495 1.00 30.38 O ATOM 0 H SER A 4 10.338 1.076 1.021 1.00 30.35 H new ATOM 0 HA SER A 4 9.259 1.966 -1.594 1.00 29.61 H new ATOM 0 HB2 SER A 4 9.085 -0.514 -1.307 1.00 29.84 H new ATOM 0 HB3 SER A 4 8.225 -0.269 0.201 1.00 29.84 H new ATOM 0 HG SER A 4 6.784 -0.596 -1.589 1.00 30.38 H new ATOM 49 N HIS A 5 8.014 3.672 -0.307 1.00 28.34 N ATOM 50 CA HIS A 5 7.211 4.668 0.389 1.00 27.68 C ATOM 51 C HIS A 5 6.322 5.430 -0.586 1.00 27.14 C ATOM 52 O HIS A 5 6.804 6.077 -1.513 1.00 26.86 O ATOM 53 CB HIS A 5 8.102 5.648 1.174 1.00 27.51 C ATOM 54 CG HIS A 5 9.181 6.307 0.358 1.00 27.78 C ATOM 55 ND1 HIS A 5 9.000 7.492 -0.327 1.00 27.73 N ATOM 56 CD2 HIS A 5 10.464 5.940 0.134 1.00 28.20 C ATOM 57 CE1 HIS A 5 10.124 7.821 -0.934 1.00 28.10 C ATOM 58 NE2 HIS A 5 11.025 6.898 -0.671 1.00 28.39 N ATOM 0 H HIS A 5 8.380 3.979 -1.208 1.00 28.34 H new ATOM 0 HA HIS A 5 6.573 4.140 1.098 1.00 27.68 H new ATOM 0 HB2 HIS A 5 7.471 6.422 1.610 1.00 27.51 H new ATOM 0 HB3 HIS A 5 8.567 5.112 2.002 1.00 27.51 H new ATOM 0 HD2 HIS A 5 10.955 5.058 0.518 1.00 28.20 H new ATOM 0 HE1 HIS A 5 10.279 8.699 -1.544 1.00 28.10 H new ATOM 0 HE2 HIS A 5 11.986 6.896 -1.011 1.00 28.39 H new ATOM 67 N HIS A 6 5.020 5.332 -0.383 1.00 27.11 N ATOM 68 CA HIS A 6 4.065 6.082 -1.184 1.00 26.72 C ATOM 69 C HIS A 6 3.371 7.132 -0.329 1.00 26.14 C ATOM 70 O HIS A 6 2.519 6.809 0.494 1.00 26.08 O ATOM 71 CB HIS A 6 3.028 5.149 -1.817 1.00 27.14 C ATOM 72 CG HIS A 6 3.567 4.313 -2.938 1.00 27.63 C ATOM 73 ND1 HIS A 6 3.330 4.596 -4.267 1.00 27.73 N ATOM 74 CD2 HIS A 6 4.331 3.193 -2.927 1.00 28.14 C ATOM 75 CE1 HIS A 6 3.919 3.688 -5.021 1.00 28.29 C ATOM 76 NE2 HIS A 6 4.533 2.828 -4.234 1.00 28.54 N ATOM 0 H HIS A 6 4.598 4.739 0.331 1.00 27.11 H new ATOM 0 HA HIS A 6 4.611 6.580 -1.985 1.00 26.72 H new ATOM 0 HB2 HIS A 6 2.627 4.491 -1.046 1.00 27.14 H new ATOM 0 HB3 HIS A 6 2.196 5.746 -2.190 1.00 27.14 H new ATOM 0 HD2 HIS A 6 4.710 2.684 -2.053 1.00 28.14 H new ATOM 0 HE1 HIS A 6 3.901 3.655 -6.100 1.00 28.29 H new ATOM 0 HE2 HIS A 6 5.072 2.020 -4.546 1.00 28.54 H new ATOM 85 N HIS A 7 3.758 8.385 -0.516 1.00 25.80 N ATOM 86 CA HIS A 7 3.161 9.490 0.224 1.00 25.30 C ATOM 87 C HIS A 7 1.773 9.807 -0.322 1.00 24.72 C ATOM 88 O HIS A 7 1.636 10.303 -1.439 1.00 24.71 O ATOM 89 CB HIS A 7 4.068 10.726 0.145 1.00 25.34 C ATOM 90 CG HIS A 7 3.483 11.963 0.764 1.00 25.73 C ATOM 91 ND1 HIS A 7 3.206 12.078 2.105 1.00 25.90 N ATOM 92 CD2 HIS A 7 3.134 13.149 0.211 1.00 26.10 C ATOM 93 CE1 HIS A 7 2.712 13.274 2.352 1.00 26.34 C ATOM 94 NE2 HIS A 7 2.659 13.950 1.221 1.00 26.47 N ATOM 0 H HIS A 7 4.485 8.664 -1.175 1.00 25.80 H new ATOM 0 HA HIS A 7 3.058 9.199 1.269 1.00 25.30 H new ATOM 0 HB2 HIS A 7 5.014 10.500 0.637 1.00 25.34 H new ATOM 0 HB3 HIS A 7 4.294 10.930 -0.902 1.00 25.34 H new ATOM 0 HD1 HIS A 7 3.359 11.349 2.802 1.00 25.90 H new ATOM 0 HD2 HIS A 7 3.214 13.416 -0.832 1.00 26.10 H new ATOM 0 HE1 HIS A 7 2.402 13.640 3.320 1.00 26.34 H new ATOM 103 N HIS A 8 0.748 9.522 0.469 1.00 24.34 N ATOM 104 CA HIS A 8 -0.626 9.740 0.039 1.00 23.83 C ATOM 105 C HIS A 8 -1.086 11.149 0.377 1.00 23.17 C ATOM 106 O HIS A 8 -1.649 11.402 1.444 1.00 23.09 O ATOM 107 CB HIS A 8 -1.572 8.703 0.653 1.00 23.99 C ATOM 108 CG HIS A 8 -1.425 7.334 0.063 1.00 24.04 C ATOM 109 ND1 HIS A 8 -2.302 6.817 -0.867 1.00 24.18 N ATOM 110 CD2 HIS A 8 -0.497 6.371 0.274 1.00 24.09 C ATOM 111 CE1 HIS A 8 -1.919 5.600 -1.204 1.00 24.31 C ATOM 112 NE2 HIS A 8 -0.826 5.305 -0.527 1.00 24.25 N ATOM 0 H HIS A 8 0.841 9.140 1.410 1.00 24.34 H new ATOM 0 HA HIS A 8 -0.654 9.622 -1.044 1.00 23.83 H new ATOM 0 HB2 HIS A 8 -1.390 8.648 1.726 1.00 23.99 H new ATOM 0 HB3 HIS A 8 -2.601 9.038 0.520 1.00 23.99 H new ATOM 0 HD2 HIS A 8 0.345 6.430 0.947 1.00 24.09 H new ATOM 0 HE1 HIS A 8 -2.416 4.955 -1.914 1.00 24.31 H new ATOM 0 HE2 HIS A 8 -0.309 4.428 -0.588 1.00 24.25 H new ATOM 121 N HIS A 9 -0.796 12.062 -0.535 1.00 22.79 N ATOM 122 CA HIS A 9 -1.225 13.451 -0.448 1.00 22.26 C ATOM 123 C HIS A 9 -0.752 14.177 -1.694 1.00 21.56 C ATOM 124 O HIS A 9 0.295 14.823 -1.694 1.00 21.72 O ATOM 125 CB HIS A 9 -0.686 14.147 0.810 1.00 22.51 C ATOM 126 CG HIS A 9 -1.229 15.532 1.010 1.00 22.98 C ATOM 127 ND1 HIS A 9 -2.430 15.785 1.635 1.00 23.33 N ATOM 128 CD2 HIS A 9 -0.732 16.743 0.655 1.00 23.25 C ATOM 129 CE1 HIS A 9 -2.649 17.087 1.657 1.00 23.80 C ATOM 130 NE2 HIS A 9 -1.635 17.688 1.069 1.00 23.76 N ATOM 0 H HIS A 9 -0.247 11.857 -1.370 1.00 22.79 H new ATOM 0 HA HIS A 9 -2.312 13.476 -0.378 1.00 22.26 H new ATOM 0 HB2 HIS A 9 -0.929 13.541 1.683 1.00 22.51 H new ATOM 0 HB3 HIS A 9 0.401 14.197 0.750 1.00 22.51 H new ATOM 0 HD2 HIS A 9 0.200 16.928 0.142 1.00 23.25 H new ATOM 0 HE1 HIS A 9 -3.512 17.576 2.084 1.00 23.80 H new ATOM 0 HE2 HIS A 9 -1.537 18.695 0.942 1.00 23.76 H new ATOM 139 N HIS A 10 -1.503 14.025 -2.766 1.00 20.90 N ATOM 140 CA HIS A 10 -1.115 14.593 -4.047 1.00 20.28 C ATOM 141 C HIS A 10 -1.689 15.993 -4.218 1.00 19.70 C ATOM 142 O HIS A 10 -2.900 16.197 -4.130 1.00 19.62 O ATOM 143 CB HIS A 10 -1.552 13.680 -5.209 1.00 20.26 C ATOM 144 CG HIS A 10 -3.038 13.522 -5.360 1.00 20.06 C ATOM 145 ND1 HIS A 10 -3.746 14.059 -6.412 1.00 19.78 N ATOM 146 CD2 HIS A 10 -3.947 12.880 -4.588 1.00 20.24 C ATOM 147 CE1 HIS A 10 -5.023 13.760 -6.279 1.00 19.80 C ATOM 148 NE2 HIS A 10 -5.171 13.047 -5.181 1.00 20.08 N ATOM 0 H HIS A 10 -2.386 13.514 -2.779 1.00 20.90 H new ATOM 0 HA HIS A 10 -0.028 14.668 -4.064 1.00 20.28 H new ATOM 0 HB2 HIS A 10 -1.147 14.079 -6.139 1.00 20.26 H new ATOM 0 HB3 HIS A 10 -1.109 12.695 -5.065 1.00 20.26 H new ATOM 0 HD2 HIS A 10 -3.745 12.338 -3.676 1.00 20.24 H new ATOM 0 HE1 HIS A 10 -5.814 14.050 -6.955 1.00 19.80 H new ATOM 0 HE2 HIS A 10 -6.055 12.679 -4.829 1.00 20.08 H new ATOM 157 N SER A 11 -0.809 16.957 -4.425 1.00 19.43 N ATOM 158 CA SER A 11 -1.225 18.313 -4.730 1.00 19.01 C ATOM 159 C SER A 11 -1.707 18.379 -6.177 1.00 18.01 C ATOM 160 O SER A 11 -1.212 17.644 -7.034 1.00 18.01 O ATOM 161 CB SER A 11 -0.060 19.276 -4.503 1.00 19.28 C ATOM 162 OG SER A 11 0.490 19.101 -3.207 1.00 19.89 O ATOM 0 H SER A 11 0.202 16.824 -4.387 1.00 19.43 H new ATOM 0 HA SER A 11 -2.044 18.605 -4.072 1.00 19.01 H new ATOM 0 HB2 SER A 11 0.710 19.107 -5.256 1.00 19.28 H new ATOM 0 HB3 SER A 11 -0.403 20.304 -4.622 1.00 19.28 H new ATOM 0 HG SER A 11 1.235 19.725 -3.081 1.00 19.89 H new ATOM 168 N SER A 12 -2.666 19.246 -6.446 1.00 17.26 N ATOM 169 CA SER A 12 -3.282 19.307 -7.759 1.00 16.34 C ATOM 170 C SER A 12 -2.616 20.362 -8.636 1.00 16.15 C ATOM 171 O SER A 12 -2.797 21.566 -8.434 1.00 16.20 O ATOM 172 CB SER A 12 -4.776 19.589 -7.612 1.00 15.87 C ATOM 173 OG SER A 12 -5.389 18.613 -6.784 1.00 15.96 O ATOM 0 H SER A 12 -3.035 19.918 -5.773 1.00 17.26 H new ATOM 0 HA SER A 12 -3.147 18.344 -8.251 1.00 16.34 H new ATOM 0 HB2 SER A 12 -4.924 20.581 -7.185 1.00 15.87 H new ATOM 0 HB3 SER A 12 -5.250 19.590 -8.594 1.00 15.87 H new ATOM 0 HG SER A 12 -6.345 18.810 -6.699 1.00 15.96 H new ATOM 179 N GLY A 13 -1.826 19.900 -9.596 1.00 16.12 N ATOM 180 CA GLY A 13 -1.187 20.799 -10.533 1.00 16.13 C ATOM 181 C GLY A 13 0.206 21.193 -10.096 1.00 16.30 C ATOM 182 O GLY A 13 0.601 22.342 -10.243 1.00 16.67 O ATOM 0 H GLY A 13 -1.616 18.913 -9.742 1.00 16.12 H new ATOM 0 HA2 GLY A 13 -1.137 20.323 -11.512 1.00 16.13 H new ATOM 0 HA3 GLY A 13 -1.797 21.696 -10.646 1.00 16.13 H new ATOM 186 N ARG A 14 0.954 20.233 -9.565 1.00 16.15 N ATOM 187 CA ARG A 14 2.312 20.483 -9.087 1.00 16.46 C ATOM 188 C ARG A 14 3.231 20.846 -10.244 1.00 15.51 C ATOM 189 O ARG A 14 4.092 21.717 -10.126 1.00 15.72 O ATOM 190 CB ARG A 14 2.876 19.245 -8.388 1.00 17.13 C ATOM 191 CG ARG A 14 1.953 18.639 -7.348 1.00 17.25 C ATOM 192 CD ARG A 14 2.596 17.430 -6.688 1.00 17.95 C ATOM 193 NE ARG A 14 3.103 16.474 -7.676 1.00 18.07 N ATOM 194 CZ ARG A 14 4.160 15.683 -7.477 1.00 18.64 C ATOM 195 NH1 ARG A 14 4.798 15.700 -6.311 1.00 19.13 N ATOM 196 NH2 ARG A 14 4.582 14.874 -8.443 1.00 18.84 N ATOM 0 H ARG A 14 0.642 19.268 -9.453 1.00 16.15 H new ATOM 0 HA ARG A 14 2.263 21.313 -8.382 1.00 16.46 H new ATOM 0 HB2 ARG A 14 3.102 18.489 -9.140 1.00 17.13 H new ATOM 0 HB3 ARG A 14 3.819 19.510 -7.909 1.00 17.13 H new ATOM 0 HG2 ARG A 14 1.712 19.386 -6.591 1.00 17.25 H new ATOM 0 HG3 ARG A 14 1.014 18.345 -7.817 1.00 17.25 H new ATOM 0 HD2 ARG A 14 3.414 17.758 -6.047 1.00 17.95 H new ATOM 0 HD3 ARG A 14 1.867 16.936 -6.046 1.00 17.95 H new ATOM 0 HE ARG A 14 2.618 16.409 -8.571 1.00 18.07 H new ATOM 0 HH11 ARG A 14 4.480 16.319 -5.565 1.00 19.13 H new ATOM 0 HH12 ARG A 14 5.605 15.094 -6.162 1.00 19.13 H new ATOM 0 HH21 ARG A 14 4.098 14.856 -9.341 1.00 18.84 H new ATOM 0 HH22 ARG A 14 5.390 14.271 -8.287 1.00 18.84 H new ATOM 210 N GLU A 15 3.035 20.173 -11.368 1.00 14.57 N ATOM 211 CA GLU A 15 3.891 20.356 -12.530 1.00 13.69 C ATOM 212 C GLU A 15 3.414 21.515 -13.401 1.00 12.97 C ATOM 213 O GLU A 15 3.629 21.521 -14.613 1.00 12.15 O ATOM 214 CB GLU A 15 3.952 19.065 -13.347 1.00 13.29 C ATOM 215 CG GLU A 15 2.592 18.539 -13.773 1.00 13.12 C ATOM 216 CD GLU A 15 2.706 17.319 -14.658 1.00 13.58 C ATOM 217 OE1 GLU A 15 2.829 17.486 -15.889 1.00 13.59 O ATOM 218 OE2 GLU A 15 2.689 16.188 -14.126 1.00 14.07 O ATOM 0 H GLU A 15 2.287 19.492 -11.500 1.00 14.57 H new ATOM 0 HA GLU A 15 4.892 20.601 -12.174 1.00 13.69 H new ATOM 0 HB2 GLU A 15 4.558 19.238 -14.236 1.00 13.29 H new ATOM 0 HB3 GLU A 15 4.459 18.299 -12.760 1.00 13.29 H new ATOM 0 HG2 GLU A 15 2.006 18.291 -12.888 1.00 13.12 H new ATOM 0 HG3 GLU A 15 2.051 19.322 -14.304 1.00 13.12 H new ATOM 225 N ASN A 16 2.806 22.516 -12.772 1.00 13.44 N ATOM 226 CA ASN A 16 2.326 23.701 -13.486 1.00 13.06 C ATOM 227 C ASN A 16 3.494 24.502 -14.059 1.00 13.07 C ATOM 228 O ASN A 16 3.300 25.402 -14.875 1.00 12.89 O ATOM 229 CB ASN A 16 1.491 24.599 -12.566 1.00 13.83 C ATOM 230 CG ASN A 16 2.281 25.118 -11.380 1.00 14.84 C ATOM 231 OD1 ASN A 16 2.951 26.148 -11.467 1.00 15.24 O ATOM 232 ND2 ASN A 16 2.189 24.419 -10.259 1.00 15.40 N ATOM 0 H ASN A 16 2.632 22.533 -11.767 1.00 13.44 H new ATOM 0 HA ASN A 16 1.696 23.355 -14.306 1.00 13.06 H new ATOM 0 HB2 ASN A 16 1.108 25.443 -13.139 1.00 13.83 H new ATOM 0 HB3 ASN A 16 0.627 24.040 -12.206 1.00 13.83 H new ATOM 0 HD21 ASN A 16 2.685 24.728 -9.423 1.00 15.40 H new ATOM 0 HD22 ASN A 16 1.622 23.571 -10.232 1.00 15.40 H new ATOM 239 N LEU A 17 4.703 24.180 -13.606 1.00 13.46 N ATOM 240 CA LEU A 17 5.914 24.783 -14.146 1.00 13.68 C ATOM 241 C LEU A 17 6.162 24.268 -15.556 1.00 12.77 C ATOM 242 O LEU A 17 6.758 24.949 -16.391 1.00 12.88 O ATOM 243 CB LEU A 17 7.130 24.461 -13.264 1.00 14.64 C ATOM 244 CG LEU A 17 7.223 25.211 -11.928 1.00 15.73 C ATOM 245 CD1 LEU A 17 6.088 24.828 -10.988 1.00 16.13 C ATOM 246 CD2 LEU A 17 8.565 24.930 -11.274 1.00 16.35 C ATOM 0 H LEU A 17 4.868 23.501 -12.863 1.00 13.46 H new ATOM 0 HA LEU A 17 5.776 25.864 -14.166 1.00 13.68 H new ATOM 0 HB2 LEU A 17 7.127 23.391 -13.055 1.00 14.64 H new ATOM 0 HB3 LEU A 17 8.033 24.671 -13.837 1.00 14.64 H new ATOM 0 HG LEU A 17 7.134 26.278 -12.133 1.00 15.73 H new ATOM 0 HD11 LEU A 17 6.188 25.379 -10.053 1.00 16.13 H new ATOM 0 HD12 LEU A 17 5.133 25.072 -11.453 1.00 16.13 H new ATOM 0 HD13 LEU A 17 6.130 23.758 -10.784 1.00 16.13 H new ATOM 0 HD21 LEU A 17 8.627 25.464 -10.326 1.00 16.35 H new ATOM 0 HD22 LEU A 17 8.665 23.860 -11.094 1.00 16.35 H new ATOM 0 HD23 LEU A 17 9.367 25.264 -11.932 1.00 16.35 H new ATOM 258 N TYR A 18 5.696 23.055 -15.807 1.00 12.00 N ATOM 259 CA TYR A 18 5.836 22.432 -17.109 1.00 11.22 C ATOM 260 C TYR A 18 4.564 22.633 -17.915 1.00 10.27 C ATOM 261 O TYR A 18 3.535 23.033 -17.374 1.00 9.92 O ATOM 262 CB TYR A 18 6.140 20.940 -16.960 1.00 11.19 C ATOM 263 CG TYR A 18 7.440 20.654 -16.243 1.00 12.23 C ATOM 264 CD1 TYR A 18 8.651 20.697 -16.921 1.00 12.64 C ATOM 265 CD2 TYR A 18 7.457 20.344 -14.887 1.00 12.95 C ATOM 266 CE1 TYR A 18 9.842 20.442 -16.270 1.00 13.68 C ATOM 267 CE2 TYR A 18 8.645 20.086 -14.230 1.00 13.98 C ATOM 268 CZ TYR A 18 9.835 20.136 -14.925 1.00 14.32 C ATOM 269 OH TYR A 18 11.022 19.884 -14.273 1.00 15.41 O ATOM 0 H TYR A 18 5.213 22.479 -15.117 1.00 12.00 H new ATOM 0 HA TYR A 18 6.668 22.900 -17.635 1.00 11.22 H new ATOM 0 HB2 TYR A 18 5.323 20.464 -16.417 1.00 11.19 H new ATOM 0 HB3 TYR A 18 6.173 20.484 -17.950 1.00 11.19 H new ATOM 0 HD1 TYR A 18 8.662 20.934 -17.975 1.00 12.64 H new ATOM 0 HD2 TYR A 18 6.527 20.304 -14.339 1.00 12.95 H new ATOM 0 HE1 TYR A 18 10.775 20.482 -16.812 1.00 13.68 H new ATOM 0 HE2 TYR A 18 8.642 19.846 -13.177 1.00 13.98 H new ATOM 0 HH TYR A 18 10.842 19.686 -13.330 1.00 15.41 H new ATOM 279 N PHE A 19 4.631 22.342 -19.204 1.00 10.05 N ATOM 280 CA PHE A 19 3.500 22.562 -20.095 1.00 9.38 C ATOM 281 C PHE A 19 2.697 21.282 -20.288 1.00 8.44 C ATOM 282 O PHE A 19 1.878 21.187 -21.203 1.00 7.95 O ATOM 283 CB PHE A 19 3.983 23.101 -21.446 1.00 9.94 C ATOM 284 CG PHE A 19 4.911 22.178 -22.194 1.00 10.27 C ATOM 285 CD1 PHE A 19 6.223 22.002 -21.780 1.00 10.88 C ATOM 286 CD2 PHE A 19 4.472 21.496 -23.317 1.00 10.22 C ATOM 287 CE1 PHE A 19 7.076 21.161 -22.470 1.00 11.39 C ATOM 288 CE2 PHE A 19 5.321 20.654 -24.011 1.00 10.77 C ATOM 289 CZ PHE A 19 6.623 20.486 -23.586 1.00 11.34 C ATOM 0 H PHE A 19 5.457 21.952 -19.658 1.00 10.05 H new ATOM 0 HA PHE A 19 2.846 23.303 -19.636 1.00 9.38 H new ATOM 0 HB2 PHE A 19 3.115 23.307 -22.072 1.00 9.94 H new ATOM 0 HB3 PHE A 19 4.491 24.051 -21.283 1.00 9.94 H new ATOM 0 HD1 PHE A 19 6.583 22.528 -20.908 1.00 10.88 H new ATOM 0 HD2 PHE A 19 3.454 21.624 -23.655 1.00 10.22 H new ATOM 0 HE1 PHE A 19 8.095 21.032 -22.137 1.00 11.39 H new ATOM 0 HE2 PHE A 19 4.966 20.128 -24.885 1.00 10.77 H new ATOM 0 HZ PHE A 19 7.287 19.827 -24.126 1.00 11.34 H new ATOM 299 N GLN A 20 2.934 20.309 -19.407 1.00 8.42 N ATOM 300 CA GLN A 20 2.235 19.022 -19.449 1.00 7.85 C ATOM 301 C GLN A 20 2.568 18.273 -20.732 1.00 7.07 C ATOM 302 O GLN A 20 1.739 17.552 -21.283 1.00 7.05 O ATOM 303 CB GLN A 20 0.715 19.213 -19.317 1.00 8.59 C ATOM 304 CG GLN A 20 0.234 19.414 -17.885 1.00 9.58 C ATOM 305 CD GLN A 20 0.910 20.574 -17.182 1.00 10.21 C ATOM 306 OE1 GLN A 20 0.440 21.711 -17.230 1.00 10.77 O ATOM 307 NE2 GLN A 20 2.027 20.293 -16.530 1.00 10.35 N ATOM 0 H GLN A 20 3.611 20.389 -18.648 1.00 8.42 H new ATOM 0 HA GLN A 20 2.576 18.428 -18.601 1.00 7.85 H new ATOM 0 HB2 GLN A 20 0.415 20.074 -19.914 1.00 8.59 H new ATOM 0 HB3 GLN A 20 0.212 18.342 -19.739 1.00 8.59 H new ATOM 0 HG2 GLN A 20 -0.843 19.580 -17.891 1.00 9.58 H new ATOM 0 HG3 GLN A 20 0.413 18.501 -17.318 1.00 9.58 H new ATOM 0 HE21 GLN A 20 2.382 19.337 -16.515 1.00 10.35 H new ATOM 0 HE22 GLN A 20 2.533 21.032 -16.042 1.00 10.35 H new ATOM 316 N GLY A 21 3.804 18.425 -21.180 1.00 6.73 N ATOM 317 CA GLY A 21 4.234 17.780 -22.398 1.00 6.33 C ATOM 318 C GLY A 21 5.087 16.563 -22.125 1.00 5.42 C ATOM 319 O GLY A 21 6.277 16.552 -22.430 1.00 5.50 O ATOM 0 H GLY A 21 4.519 18.987 -20.718 1.00 6.73 H new ATOM 0 HA2 GLY A 21 3.361 17.487 -22.981 1.00 6.33 H new ATOM 0 HA3 GLY A 21 4.798 18.489 -23.004 1.00 6.33 H new ATOM 323 N HIS A 22 4.482 15.543 -21.530 1.00 4.89 N ATOM 324 CA HIS A 22 5.179 14.286 -21.290 1.00 4.23 C ATOM 325 C HIS A 22 5.172 13.492 -22.582 1.00 3.24 C ATOM 326 O HIS A 22 6.206 13.290 -23.218 1.00 3.42 O ATOM 327 CB HIS A 22 4.500 13.471 -20.182 1.00 4.82 C ATOM 328 CG HIS A 22 4.405 14.169 -18.861 1.00 5.13 C ATOM 329 ND1 HIS A 22 4.940 13.660 -17.700 1.00 5.51 N ATOM 330 CD2 HIS A 22 3.806 15.334 -18.515 1.00 5.53 C ATOM 331 CE1 HIS A 22 4.673 14.479 -16.700 1.00 6.05 C ATOM 332 NE2 HIS A 22 3.987 15.503 -17.169 1.00 6.08 N ATOM 0 H HIS A 22 3.515 15.561 -21.206 1.00 4.89 H new ATOM 0 HA HIS A 22 6.198 14.498 -20.966 1.00 4.23 H new ATOM 0 HB2 HIS A 22 3.495 13.204 -20.510 1.00 4.82 H new ATOM 0 HB3 HIS A 22 5.049 12.539 -20.047 1.00 4.82 H new ATOM 0 HD2 HIS A 22 3.282 16.006 -19.179 1.00 5.53 H new ATOM 0 HE1 HIS A 22 4.967 14.335 -15.671 1.00 6.05 H new ATOM 0 HE2 HIS A 22 3.647 16.292 -16.619 1.00 6.08 H new ATOM 341 N MET A 23 3.980 13.061 -22.963 1.00 2.70 N ATOM 342 CA MET A 23 3.750 12.450 -24.258 1.00 2.18 C ATOM 343 C MET A 23 2.587 13.157 -24.933 1.00 1.83 C ATOM 344 O MET A 23 1.428 12.797 -24.731 1.00 2.36 O ATOM 345 CB MET A 23 3.459 10.948 -24.131 1.00 2.61 C ATOM 346 CG MET A 23 4.656 10.130 -23.673 1.00 2.99 C ATOM 347 SD MET A 23 4.294 8.365 -23.551 1.00 3.68 S ATOM 348 CE MET A 23 5.891 7.730 -23.041 1.00 4.41 C ATOM 0 H MET A 23 3.145 13.126 -22.381 1.00 2.70 H new ATOM 0 HA MET A 23 4.653 12.554 -24.860 1.00 2.18 H new ATOM 0 HB2 MET A 23 2.640 10.804 -23.426 1.00 2.61 H new ATOM 0 HB3 MET A 23 3.119 10.570 -25.095 1.00 2.61 H new ATOM 0 HG2 MET A 23 5.480 10.280 -24.370 1.00 2.99 H new ATOM 0 HG3 MET A 23 4.990 10.496 -22.702 1.00 2.99 H new ATOM 0 HE1 MET A 23 5.831 6.648 -22.922 1.00 4.41 H new ATOM 0 HE2 MET A 23 6.637 7.972 -23.798 1.00 4.41 H new ATOM 0 HE3 MET A 23 6.177 8.184 -22.092 1.00 4.41 H new ATOM 358 N CYS A 24 2.904 14.203 -25.689 1.00 1.24 N ATOM 359 CA CYS A 24 1.888 14.999 -26.363 1.00 0.95 C ATOM 360 C CYS A 24 1.067 14.130 -27.304 1.00 0.84 C ATOM 361 O CYS A 24 1.611 13.531 -28.230 1.00 0.77 O ATOM 362 CB CYS A 24 2.538 16.150 -27.135 1.00 0.99 C ATOM 363 SG CYS A 24 1.364 17.213 -28.008 1.00 1.71 S ATOM 0 H CYS A 24 3.860 14.519 -25.850 1.00 1.24 H new ATOM 0 HA CYS A 24 1.222 15.417 -25.609 1.00 0.95 H new ATOM 0 HB2 CYS A 24 3.115 16.759 -26.439 1.00 0.99 H new ATOM 0 HB3 CYS A 24 3.243 15.737 -27.857 1.00 0.99 H new ATOM 0 HG CYS A 24 2.010 18.156 -28.628 1.00 1.71 H new ATOM 369 N ILE A 25 -0.238 14.066 -27.050 1.00 0.89 N ATOM 370 CA ILE A 25 -1.150 13.232 -27.829 1.00 0.88 C ATOM 371 C ILE A 25 -1.022 13.503 -29.333 1.00 0.74 C ATOM 372 O ILE A 25 -1.190 12.596 -30.153 1.00 0.71 O ATOM 373 CB ILE A 25 -2.619 13.431 -27.376 1.00 1.05 C ATOM 374 CG1 ILE A 25 -3.558 12.483 -28.131 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.059 14.879 -27.561 1.00 1.09 C ATOM 376 CD1 ILE A 25 -3.308 11.017 -27.839 1.00 1.37 C ATOM 0 H ILE A 25 -0.692 14.589 -26.301 1.00 0.89 H new ATOM 0 HA ILE A 25 -0.866 12.196 -27.645 1.00 0.88 H new ATOM 0 HB ILE A 25 -2.674 13.193 -26.314 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -4.589 12.725 -27.873 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.449 12.655 -29.202 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.093 14.989 -27.235 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.420 15.532 -26.967 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.979 15.152 -28.613 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -4.010 10.408 -28.409 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -2.288 10.758 -28.124 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -3.446 10.829 -26.774 1.00 1.37 H new ATOM 388 N GLN A 26 -0.705 14.743 -29.685 1.00 0.69 N ATOM 389 CA GLN A 26 -0.486 15.109 -31.075 1.00 0.64 C ATOM 390 C GLN A 26 0.673 14.303 -31.653 1.00 0.56 C ATOM 391 O GLN A 26 0.519 13.602 -32.656 1.00 0.59 O ATOM 392 CB GLN A 26 -0.194 16.611 -31.178 1.00 0.70 C ATOM 393 CG GLN A 26 0.185 17.075 -32.574 1.00 0.80 C ATOM 394 CD GLN A 26 0.479 18.560 -32.629 1.00 1.23 C ATOM 395 OE1 GLN A 26 0.918 19.157 -31.645 1.00 1.75 O ATOM 396 NE2 GLN A 26 0.247 19.169 -33.781 1.00 1.54 N ATOM 0 H GLN A 26 -0.594 15.512 -29.024 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.385 14.885 -31.649 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.073 17.165 -30.849 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.615 16.861 -30.492 1.00 0.70 H new ATOM 0 HG2 GLN A 26 1.061 16.521 -32.913 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.626 16.842 -33.264 1.00 0.80 H new ATOM 0 HE21 GLN A 26 -0.117 18.640 -34.573 1.00 1.54 H new ATOM 0 HE22 GLN A 26 0.432 20.168 -33.876 1.00 1.54 H new ATOM 405 N LYS A 27 1.821 14.372 -30.991 1.00 0.56 N ATOM 406 CA LYS A 27 3.011 13.679 -31.459 1.00 0.60 C ATOM 407 C LYS A 27 2.893 12.168 -31.262 1.00 0.58 C ATOM 408 O LYS A 27 3.584 11.395 -31.922 1.00 0.58 O ATOM 409 CB LYS A 27 4.267 14.217 -30.777 1.00 0.75 C ATOM 410 CG LYS A 27 5.536 13.823 -31.508 1.00 1.27 C ATOM 411 CD LYS A 27 6.735 14.620 -31.040 1.00 1.53 C ATOM 412 CE LYS A 27 7.894 14.451 -32.003 1.00 1.93 C ATOM 413 NZ LYS A 27 7.552 14.946 -33.369 1.00 2.50 N ATOM 0 H LYS A 27 1.952 14.901 -30.129 1.00 0.56 H new ATOM 0 HA LYS A 27 3.098 13.870 -32.529 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.208 15.304 -30.718 1.00 0.75 H new ATOM 0 HB3 LYS A 27 4.310 13.844 -29.754 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.726 12.761 -31.356 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.398 13.972 -32.579 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.470 15.674 -30.962 1.00 1.53 H new ATOM 0 HD3 LYS A 27 7.031 14.291 -30.044 1.00 1.53 H new ATOM 0 HE2 LYS A 27 8.762 14.992 -31.626 1.00 1.93 H new ATOM 0 HE3 LYS A 27 8.173 13.399 -32.056 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.602 14.158 -34.046 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 6.589 15.339 -33.365 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 8.227 15.686 -33.649 1.00 2.50 H new ATOM 427 N VAL A 28 2.025 11.747 -30.348 1.00 0.62 N ATOM 428 CA VAL A 28 1.756 10.325 -30.167 1.00 0.68 C ATOM 429 C VAL A 28 1.222 9.735 -31.467 1.00 0.62 C ATOM 430 O VAL A 28 1.670 8.680 -31.912 1.00 0.62 O ATOM 431 CB VAL A 28 0.751 10.060 -29.020 1.00 0.77 C ATOM 432 CG1 VAL A 28 0.364 8.588 -28.968 1.00 1.03 C ATOM 433 CG2 VAL A 28 1.337 10.495 -27.684 1.00 1.04 C ATOM 0 H VAL A 28 1.500 12.363 -29.727 1.00 0.62 H new ATOM 0 HA VAL A 28 2.696 9.845 -29.895 1.00 0.68 H new ATOM 0 HB VAL A 28 -0.147 10.646 -29.216 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -0.343 8.426 -28.154 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.098 8.300 -29.912 1.00 1.03 H new ATOM 0 HG13 VAL A 28 1.255 7.983 -28.800 1.00 1.03 H new ATOM 0 HG21 VAL A 28 0.616 10.301 -26.890 1.00 1.04 H new ATOM 0 HG22 VAL A 28 2.252 9.935 -27.488 1.00 1.04 H new ATOM 0 HG23 VAL A 28 1.564 11.561 -27.716 1.00 1.04 H new ATOM 443 N ILE A 29 0.287 10.444 -32.085 1.00 0.60 N ATOM 444 CA ILE A 29 -0.239 10.046 -33.385 1.00 0.57 C ATOM 445 C ILE A 29 0.855 10.150 -34.449 1.00 0.52 C ATOM 446 O ILE A 29 0.994 9.261 -35.293 1.00 0.51 O ATOM 447 CB ILE A 29 -1.480 10.894 -33.785 1.00 0.62 C ATOM 448 CG1 ILE A 29 -2.762 10.302 -33.177 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.623 10.997 -35.300 1.00 0.67 C ATOM 450 CD1 ILE A 29 -2.782 10.270 -31.665 1.00 0.79 C ATOM 0 H ILE A 29 -0.123 11.298 -31.707 1.00 0.60 H new ATOM 0 HA ILE A 29 -0.565 9.008 -33.314 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.329 11.898 -33.389 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.616 10.882 -33.527 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -2.891 9.286 -33.551 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.500 11.596 -35.543 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.734 11.469 -35.718 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.737 9.999 -35.723 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -3.722 9.837 -31.323 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -1.951 9.665 -31.303 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -2.687 11.285 -31.278 1.00 0.79 H new ATOM 462 N GLU A 30 1.649 11.221 -34.376 1.00 0.53 N ATOM 463 CA GLU A 30 2.759 11.429 -35.307 1.00 0.55 C ATOM 464 C GLU A 30 3.683 10.219 -35.335 1.00 0.55 C ATOM 465 O GLU A 30 3.969 9.667 -36.396 1.00 0.58 O ATOM 466 CB GLU A 30 3.592 12.646 -34.902 1.00 0.64 C ATOM 467 CG GLU A 30 2.866 13.974 -34.982 1.00 0.99 C ATOM 468 CD GLU A 30 3.737 15.121 -34.501 1.00 1.49 C ATOM 469 OE1 GLU A 30 4.985 15.011 -34.590 1.00 1.84 O ATOM 470 OE2 GLU A 30 3.184 16.140 -34.038 1.00 2.20 O ATOM 0 H GLU A 30 1.543 11.959 -33.680 1.00 0.53 H new ATOM 0 HA GLU A 30 2.320 11.586 -36.292 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.945 12.503 -33.881 1.00 0.64 H new ATOM 0 HB3 GLU A 30 4.474 12.692 -35.540 1.00 0.64 H new ATOM 0 HG2 GLU A 30 2.557 14.158 -36.011 1.00 0.99 H new ATOM 0 HG3 GLU A 30 1.958 13.929 -34.380 1.00 0.99 H new ATOM 477 N ASP A 31 4.126 9.798 -34.156 1.00 0.57 N ATOM 478 CA ASP A 31 5.103 8.722 -34.044 1.00 0.64 C ATOM 479 C ASP A 31 4.454 7.369 -34.304 1.00 0.57 C ATOM 480 O ASP A 31 5.092 6.454 -34.820 1.00 0.61 O ATOM 481 CB ASP A 31 5.757 8.730 -32.659 1.00 0.80 C ATOM 482 CG ASP A 31 6.921 7.760 -32.556 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.695 6.583 -32.211 1.00 1.67 O ATOM 484 OD2 ASP A 31 8.070 8.176 -32.820 1.00 1.17 O ATOM 0 H ASP A 31 3.823 10.186 -33.263 1.00 0.57 H new ATOM 0 HA ASP A 31 5.872 8.889 -34.798 1.00 0.64 H new ATOM 0 HB2 ASP A 31 6.107 9.737 -32.433 1.00 0.80 H new ATOM 0 HB3 ASP A 31 5.010 8.476 -31.907 1.00 0.80 H new ATOM 489 N LYS A 32 3.179 7.254 -33.960 1.00 0.53 N ATOM 490 CA LYS A 32 2.445 6.010 -34.147 1.00 0.55 C ATOM 491 C LYS A 32 2.405 5.623 -35.624 1.00 0.48 C ATOM 492 O LYS A 32 2.790 4.512 -35.992 1.00 0.52 O ATOM 493 CB LYS A 32 1.029 6.149 -33.582 1.00 0.67 C ATOM 494 CG LYS A 32 0.198 4.882 -33.663 1.00 0.97 C ATOM 495 CD LYS A 32 -1.055 4.997 -32.811 1.00 1.09 C ATOM 496 CE LYS A 32 -2.001 3.835 -33.051 1.00 1.51 C ATOM 497 NZ LYS A 32 -2.524 3.833 -34.442 1.00 2.03 N ATOM 0 H LYS A 32 2.630 8.009 -33.549 1.00 0.53 H new ATOM 0 HA LYS A 32 2.959 5.215 -33.607 1.00 0.55 H new ATOM 0 HB2 LYS A 32 1.095 6.460 -32.539 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.512 6.944 -34.120 1.00 0.67 H new ATOM 0 HG2 LYS A 32 -0.079 4.690 -34.700 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.792 4.031 -33.329 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.778 5.030 -31.757 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.564 5.934 -33.036 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.482 2.897 -32.856 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -2.833 3.892 -32.349 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -3.548 4.013 -34.428 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -2.049 4.577 -34.992 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -2.341 2.908 -34.880 1.00 2.03 H new ATOM 511 N LEU A 33 1.972 6.548 -36.473 1.00 0.44 N ATOM 512 CA LEU A 33 1.933 6.287 -37.907 1.00 0.44 C ATOM 513 C LEU A 33 3.342 6.320 -38.501 1.00 0.46 C ATOM 514 O LEU A 33 3.616 5.667 -39.508 1.00 0.51 O ATOM 515 CB LEU A 33 0.991 7.273 -38.625 1.00 0.47 C ATOM 516 CG LEU A 33 1.296 8.769 -38.452 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.356 9.232 -39.441 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.025 9.588 -38.615 1.00 0.55 C ATOM 0 H LEU A 33 1.647 7.475 -36.198 1.00 0.44 H new ATOM 0 HA LEU A 33 1.532 5.285 -38.061 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.006 7.044 -39.690 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.025 7.090 -38.274 1.00 0.47 H new ATOM 0 HG LEU A 33 1.687 8.920 -37.446 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.551 10.294 -39.295 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.275 8.669 -39.279 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.002 9.065 -40.458 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.255 10.646 -38.490 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.390 9.422 -39.609 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.703 9.284 -37.863 1.00 0.55 H new ATOM 530 N SER A 34 4.238 7.059 -37.853 1.00 0.47 N ATOM 531 CA SER A 34 5.621 7.163 -38.307 1.00 0.53 C ATOM 532 C SER A 34 6.336 5.823 -38.148 1.00 0.54 C ATOM 533 O SER A 34 7.110 5.415 -39.009 1.00 0.59 O ATOM 534 CB SER A 34 6.359 8.259 -37.527 1.00 0.60 C ATOM 535 OG SER A 34 7.619 8.556 -38.108 1.00 1.29 O ATOM 0 H SER A 34 4.030 7.595 -37.011 1.00 0.47 H new ATOM 0 HA SER A 34 5.619 7.431 -39.363 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.748 9.161 -37.501 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.500 7.939 -36.495 1.00 0.60 H new ATOM 0 HG SER A 34 8.062 9.259 -37.588 1.00 1.29 H new ATOM 541 N SER A 35 6.055 5.131 -37.054 1.00 0.55 N ATOM 542 CA SER A 35 6.656 3.831 -36.799 1.00 0.62 C ATOM 543 C SER A 35 6.086 2.771 -37.740 1.00 0.59 C ATOM 544 O SER A 35 6.752 1.788 -38.061 1.00 0.65 O ATOM 545 CB SER A 35 6.418 3.422 -35.344 1.00 0.72 C ATOM 546 OG SER A 35 6.890 4.422 -34.454 1.00 0.78 O ATOM 0 H SER A 35 5.413 5.449 -36.328 1.00 0.55 H new ATOM 0 HA SER A 35 7.728 3.908 -36.981 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.354 3.255 -35.178 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.925 2.479 -35.139 1.00 0.72 H new ATOM 0 HG SER A 35 6.299 5.203 -34.496 1.00 0.78 H new ATOM 552 N ALA A 36 4.855 2.984 -38.188 1.00 0.54 N ATOM 553 CA ALA A 36 4.162 2.002 -39.008 1.00 0.57 C ATOM 554 C ALA A 36 4.466 2.175 -40.497 1.00 0.51 C ATOM 555 O ALA A 36 4.727 1.198 -41.197 1.00 0.52 O ATOM 556 CB ALA A 36 2.666 2.083 -38.761 1.00 0.64 C ATOM 0 H ALA A 36 4.317 3.829 -37.996 1.00 0.54 H new ATOM 0 HA ALA A 36 4.525 1.016 -38.718 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.155 1.345 -39.379 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.459 1.882 -37.710 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.308 3.080 -39.017 1.00 0.64 H new ATOM 562 N LEU A 37 4.428 3.411 -40.979 1.00 0.50 N ATOM 563 CA LEU A 37 4.633 3.679 -42.403 1.00 0.53 C ATOM 564 C LEU A 37 6.086 4.048 -42.697 1.00 0.52 C ATOM 565 O LEU A 37 6.551 3.917 -43.831 1.00 0.62 O ATOM 566 CB LEU A 37 3.705 4.805 -42.866 1.00 0.57 C ATOM 567 CG LEU A 37 2.212 4.547 -42.647 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.396 5.749 -43.092 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.769 3.295 -43.393 1.00 0.94 C ATOM 0 H LEU A 37 4.258 4.241 -40.411 1.00 0.50 H new ATOM 0 HA LEU A 37 4.398 2.767 -42.952 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.980 5.720 -42.342 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.875 4.982 -43.928 1.00 0.57 H new ATOM 0 HG LEU A 37 2.042 4.389 -41.582 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.337 5.550 -42.930 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.693 6.624 -42.515 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.572 5.936 -44.151 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.705 3.129 -43.225 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.952 3.423 -44.460 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.333 2.436 -43.029 1.00 0.94 H new ATOM 581 N LYS A 38 6.785 4.506 -41.664 1.00 0.47 N ATOM 582 CA LYS A 38 8.182 4.933 -41.762 1.00 0.52 C ATOM 583 C LYS A 38 8.379 6.023 -42.820 1.00 0.47 C ATOM 584 O LYS A 38 8.768 5.750 -43.958 1.00 0.54 O ATOM 585 CB LYS A 38 9.118 3.747 -42.029 1.00 0.70 C ATOM 586 CG LYS A 38 10.582 4.151 -42.125 1.00 1.32 C ATOM 587 CD LYS A 38 11.501 2.950 -42.256 1.00 1.93 C ATOM 588 CE LYS A 38 11.539 2.127 -40.978 1.00 2.67 C ATOM 589 NZ LYS A 38 12.559 1.049 -41.051 1.00 3.36 N ATOM 0 H LYS A 38 6.397 4.593 -40.725 1.00 0.47 H new ATOM 0 HA LYS A 38 8.443 5.361 -40.794 1.00 0.52 H new ATOM 0 HB2 LYS A 38 9.001 3.013 -41.231 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.820 3.259 -42.957 1.00 0.70 H new ATOM 0 HG2 LYS A 38 10.720 4.808 -42.984 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.858 4.723 -41.239 1.00 1.32 H new ATOM 0 HD2 LYS A 38 11.165 2.323 -43.082 1.00 1.93 H new ATOM 0 HD3 LYS A 38 12.508 3.288 -42.501 1.00 1.93 H new ATOM 0 HE2 LYS A 38 11.757 2.778 -40.132 1.00 2.67 H new ATOM 0 HE3 LYS A 38 10.558 1.688 -40.798 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 12.557 0.508 -40.163 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 12.336 0.414 -41.844 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 13.499 1.470 -41.198 1.00 3.36 H new ATOM 603 N PRO A 39 8.068 7.277 -42.468 1.00 0.46 N ATOM 604 CA PRO A 39 8.363 8.423 -43.299 1.00 0.47 C ATOM 605 C PRO A 39 9.710 9.049 -42.940 1.00 0.51 C ATOM 606 O PRO A 39 10.060 9.171 -41.763 1.00 0.63 O ATOM 607 CB PRO A 39 7.217 9.381 -42.976 1.00 0.50 C ATOM 608 CG PRO A 39 6.743 9.008 -41.601 1.00 0.54 C ATOM 609 CD PRO A 39 7.378 7.682 -41.239 1.00 0.52 C ATOM 0 HA PRO A 39 8.438 8.170 -44.357 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.554 10.417 -43.005 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.412 9.287 -43.705 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.022 9.775 -40.879 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.656 8.930 -41.579 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.073 7.786 -40.406 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.629 6.948 -40.940 1.00 0.52 H new ATOM 617 N THR A 40 10.463 9.442 -43.952 1.00 0.52 N ATOM 618 CA THR A 40 11.740 10.098 -43.738 1.00 0.61 C ATOM 619 C THR A 40 11.513 11.541 -43.305 1.00 0.62 C ATOM 620 O THR A 40 12.334 12.134 -42.601 1.00 0.73 O ATOM 621 CB THR A 40 12.603 10.056 -45.012 1.00 0.67 C ATOM 622 OG1 THR A 40 11.810 10.414 -46.153 1.00 0.70 O ATOM 623 CG2 THR A 40 13.196 8.671 -45.219 1.00 0.71 C ATOM 0 H THR A 40 10.211 9.318 -44.933 1.00 0.52 H new ATOM 0 HA THR A 40 12.273 9.565 -42.951 1.00 0.61 H new ATOM 0 HB THR A 40 13.418 10.770 -44.895 1.00 0.67 H new ATOM 0 HG1 THR A 40 12.366 10.387 -46.959 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.802 8.666 -46.125 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.820 8.411 -44.364 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.392 7.942 -45.316 1.00 0.71 H new ATOM 631 N PHE A 41 10.378 12.086 -43.720 1.00 0.54 N ATOM 632 CA PHE A 41 9.977 13.427 -43.330 1.00 0.55 C ATOM 633 C PHE A 41 8.475 13.460 -43.067 1.00 0.48 C ATOM 634 O PHE A 41 7.693 12.859 -43.808 1.00 0.45 O ATOM 635 CB PHE A 41 10.354 14.439 -44.420 1.00 0.57 C ATOM 636 CG PHE A 41 10.002 15.860 -44.077 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.799 16.594 -43.213 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.877 16.461 -44.620 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.479 17.899 -42.895 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.554 17.766 -44.305 1.00 0.70 C ATOM 641 CZ PHE A 41 9.355 18.486 -43.442 1.00 0.75 C ATOM 0 H PHE A 41 9.714 11.613 -44.333 1.00 0.54 H new ATOM 0 HA PHE A 41 10.502 13.701 -42.415 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.426 14.375 -44.607 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.852 14.164 -45.347 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.680 16.140 -42.784 1.00 0.69 H new ATOM 0 HD2 PHE A 41 8.247 15.903 -45.296 1.00 0.62 H new ATOM 0 HE1 PHE A 41 11.107 18.460 -42.219 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.675 18.223 -44.734 1.00 0.70 H new ATOM 0 HZ PHE A 41 9.103 19.507 -43.195 1.00 0.75 H new ATOM 651 N LEU A 42 8.080 14.137 -41.999 1.00 0.50 N ATOM 652 CA LEU A 42 6.672 14.263 -41.653 1.00 0.48 C ATOM 653 C LEU A 42 6.353 15.697 -41.244 1.00 0.54 C ATOM 654 O LEU A 42 6.892 16.209 -40.259 1.00 0.64 O ATOM 655 CB LEU A 42 6.314 13.294 -40.522 1.00 0.53 C ATOM 656 CG LEU A 42 4.832 13.247 -40.144 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.990 12.773 -41.320 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.626 12.347 -38.936 1.00 1.55 C ATOM 0 H LEU A 42 8.716 14.608 -41.356 1.00 0.50 H new ATOM 0 HA LEU A 42 6.074 14.011 -42.529 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.630 12.292 -40.811 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.889 13.566 -39.637 1.00 0.53 H new ATOM 0 HG LEU A 42 4.509 14.255 -39.884 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.940 12.747 -41.029 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.117 13.458 -42.158 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.309 11.774 -41.616 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.567 12.322 -38.677 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.966 11.338 -39.171 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.197 12.734 -38.092 1.00 1.55 H new ATOM 670 N GLU A 43 5.487 16.344 -42.010 1.00 0.57 N ATOM 671 CA GLU A 43 5.129 17.731 -41.753 1.00 0.69 C ATOM 672 C GLU A 43 3.672 17.834 -41.313 1.00 0.60 C ATOM 673 O GLU A 43 2.759 17.506 -42.074 1.00 0.53 O ATOM 674 CB GLU A 43 5.375 18.574 -43.009 1.00 0.82 C ATOM 675 CG GLU A 43 5.130 20.061 -42.818 1.00 1.00 C ATOM 676 CD GLU A 43 5.525 20.875 -44.034 1.00 1.62 C ATOM 677 OE1 GLU A 43 4.702 21.012 -44.962 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.664 21.390 -44.069 1.00 2.23 O ATOM 0 H GLU A 43 5.019 15.930 -42.816 1.00 0.57 H new ATOM 0 HA GLU A 43 5.754 18.113 -40.946 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.404 18.426 -43.337 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.730 18.211 -43.809 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.075 20.227 -42.601 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.693 20.410 -41.952 1.00 1.00 H new ATOM 685 N LEU A 44 3.462 18.265 -40.075 1.00 0.67 N ATOM 686 CA LEU A 44 2.117 18.437 -39.544 1.00 0.65 C ATOM 687 C LEU A 44 1.661 19.877 -39.731 1.00 0.64 C ATOM 688 O LEU A 44 2.261 20.809 -39.187 1.00 0.77 O ATOM 689 CB LEU A 44 2.052 18.063 -38.056 1.00 0.82 C ATOM 690 CG LEU A 44 2.061 16.561 -37.733 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.907 15.854 -38.427 1.00 1.27 C ATOM 692 CD2 LEU A 44 3.387 15.922 -38.113 1.00 1.72 C ATOM 0 H LEU A 44 4.207 18.502 -39.420 1.00 0.67 H new ATOM 0 HA LEU A 44 1.453 17.770 -40.094 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.898 18.528 -37.549 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.147 18.499 -37.632 1.00 0.82 H new ATOM 0 HG LEU A 44 1.934 16.452 -36.656 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.933 14.792 -38.185 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.037 16.281 -38.089 1.00 1.27 H new ATOM 0 HD13 LEU A 44 0.998 15.982 -39.506 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.361 14.859 -37.872 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.558 16.047 -39.182 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.194 16.400 -37.558 1.00 1.72 H new ATOM 704 N VAL A 45 0.607 20.058 -40.513 1.00 0.57 N ATOM 705 CA VAL A 45 0.084 21.383 -40.792 1.00 0.63 C ATOM 706 C VAL A 45 -1.364 21.508 -40.335 1.00 0.60 C ATOM 707 O VAL A 45 -2.209 20.678 -40.674 1.00 0.56 O ATOM 708 CB VAL A 45 0.171 21.711 -42.300 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.364 23.101 -42.593 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.602 21.590 -42.797 1.00 0.90 C ATOM 0 H VAL A 45 0.097 19.300 -40.966 1.00 0.57 H new ATOM 0 HA VAL A 45 0.697 22.093 -40.237 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.448 20.986 -42.829 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.289 23.302 -43.662 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.408 23.162 -42.285 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.220 23.839 -42.043 1.00 1.08 H new ATOM 0 HG21 VAL A 45 1.639 21.825 -43.861 1.00 0.90 H new ATOM 0 HG22 VAL A 45 2.237 22.286 -42.249 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.957 20.572 -42.638 1.00 0.90 H new ATOM 720 N ASP A 46 -1.646 22.540 -39.551 1.00 0.76 N ATOM 721 CA ASP A 46 -3.018 22.847 -39.179 1.00 0.83 C ATOM 722 C ASP A 46 -3.728 23.495 -40.357 1.00 0.80 C ATOM 723 O ASP A 46 -3.531 24.674 -40.655 1.00 0.99 O ATOM 724 CB ASP A 46 -3.078 23.762 -37.955 1.00 1.16 C ATOM 725 CG ASP A 46 -4.495 24.210 -37.641 1.00 1.38 C ATOM 726 OD1 ASP A 46 -5.421 23.377 -37.726 1.00 1.83 O ATOM 727 OD2 ASP A 46 -4.687 25.403 -37.328 1.00 1.57 O ATOM 0 H ASP A 46 -0.947 23.174 -39.163 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.519 21.915 -38.915 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.665 23.239 -37.092 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.452 24.637 -38.127 1.00 1.16 H new ATOM 732 N LYS A 47 -4.527 22.703 -41.046 1.00 0.81 N ATOM 733 CA LYS A 47 -5.203 23.160 -42.246 1.00 1.03 C ATOM 734 C LYS A 47 -6.661 23.487 -41.932 1.00 1.12 C ATOM 735 O LYS A 47 -7.519 23.518 -42.816 1.00 1.66 O ATOM 736 CB LYS A 47 -5.081 22.086 -43.333 1.00 1.36 C ATOM 737 CG LYS A 47 -5.390 22.577 -44.742 1.00 1.85 C ATOM 738 CD LYS A 47 -4.660 21.747 -45.789 1.00 2.14 C ATOM 739 CE LYS A 47 -3.155 21.970 -45.707 1.00 2.34 C ATOM 740 NZ LYS A 47 -2.393 21.055 -46.597 1.00 2.76 N ATOM 0 H LYS A 47 -4.725 21.735 -40.794 1.00 0.81 H new ATOM 0 HA LYS A 47 -4.736 24.073 -42.615 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -4.068 21.683 -43.316 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -5.755 21.264 -43.092 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -6.464 22.527 -44.919 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -5.099 23.623 -44.837 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -4.884 20.690 -45.642 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -5.017 22.013 -46.784 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -2.929 23.002 -45.974 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -2.826 21.828 -44.678 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -1.560 21.551 -46.974 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -2.084 20.222 -46.056 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -3.001 20.751 -47.384 1.00 2.76 H new ATOM 754 N SER A 48 -6.929 23.740 -40.658 1.00 1.40 N ATOM 755 CA SER A 48 -8.247 24.160 -40.227 1.00 1.68 C ATOM 756 C SER A 48 -8.295 25.680 -40.161 1.00 1.52 C ATOM 757 O SER A 48 -7.374 26.314 -39.650 1.00 1.97 O ATOM 758 CB SER A 48 -8.578 23.556 -38.859 1.00 2.50 C ATOM 759 OG SER A 48 -9.929 23.806 -38.490 1.00 3.20 O ATOM 0 H SER A 48 -6.245 23.660 -39.905 1.00 1.40 H new ATOM 0 HA SER A 48 -8.989 23.808 -40.943 1.00 1.68 H new ATOM 0 HB2 SER A 48 -8.399 22.481 -38.882 1.00 2.50 H new ATOM 0 HB3 SER A 48 -7.911 23.974 -38.105 1.00 2.50 H new ATOM 0 HG SER A 48 -10.471 23.010 -38.673 1.00 3.20 H new ATOM 765 N CYS A 49 -9.360 26.261 -40.687 1.00 2.02 N ATOM 766 CA CYS A 49 -9.506 27.708 -40.705 1.00 2.76 C ATOM 767 C CYS A 49 -10.427 28.180 -39.585 1.00 2.78 C ATOM 768 O CYS A 49 -10.794 29.355 -39.519 1.00 3.32 O ATOM 769 CB CYS A 49 -10.047 28.153 -42.064 1.00 3.84 C ATOM 770 SG CYS A 49 -11.468 27.194 -42.638 1.00 4.74 S ATOM 0 H CYS A 49 -10.138 25.753 -41.108 1.00 2.02 H new ATOM 0 HA CYS A 49 -8.527 28.158 -40.543 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -10.331 29.204 -42.005 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -9.249 28.080 -42.803 1.00 3.84 H new ATOM 0 HG CYS A 49 -11.857 27.644 -43.794 1.00 4.74 H new ATOM 776 N GLY A 50 -10.789 27.261 -38.701 1.00 2.67 N ATOM 777 CA GLY A 50 -11.695 27.595 -37.624 1.00 2.93 C ATOM 778 C GLY A 50 -11.109 27.310 -36.257 1.00 2.80 C ATOM 779 O GLY A 50 -10.202 28.004 -35.806 1.00 3.16 O ATOM 0 H GLY A 50 -10.471 26.292 -38.711 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -11.957 28.651 -37.689 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -12.619 27.029 -37.744 1.00 2.93 H new ATOM 783 N CYS A 51 -11.618 26.274 -35.605 1.00 2.72 N ATOM 784 CA CYS A 51 -11.224 25.960 -34.234 1.00 2.86 C ATOM 785 C CYS A 51 -10.000 25.044 -34.183 1.00 2.48 C ATOM 786 O CYS A 51 -9.549 24.665 -33.101 1.00 3.01 O ATOM 787 CB CYS A 51 -12.393 25.295 -33.504 1.00 3.50 C ATOM 788 SG CYS A 51 -13.912 26.276 -33.486 1.00 4.36 S ATOM 0 H CYS A 51 -12.306 25.634 -36.002 1.00 2.72 H new ATOM 0 HA CYS A 51 -10.957 26.896 -33.744 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -12.600 24.334 -33.974 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -12.095 25.089 -32.476 1.00 3.50 H new ATOM 0 HG CYS A 51 -14.840 25.627 -32.848 1.00 4.36 H new ATOM 794 N GLY A 52 -9.459 24.700 -35.343 1.00 2.09 N ATOM 795 CA GLY A 52 -8.378 23.734 -35.389 1.00 2.20 C ATOM 796 C GLY A 52 -8.917 22.325 -35.291 1.00 1.68 C ATOM 797 O GLY A 52 -8.392 21.486 -34.558 1.00 2.26 O ATOM 0 H GLY A 52 -9.747 25.070 -36.249 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -7.818 23.851 -36.317 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -7.682 23.920 -34.571 1.00 2.20 H new ATOM 801 N THR A 53 -9.975 22.076 -36.044 1.00 1.51 N ATOM 802 CA THR A 53 -10.722 20.833 -35.956 1.00 1.81 C ATOM 803 C THR A 53 -10.128 19.754 -36.866 1.00 1.47 C ATOM 804 O THR A 53 -10.543 18.593 -36.831 1.00 1.48 O ATOM 805 CB THR A 53 -12.190 21.090 -36.352 1.00 2.71 C ATOM 806 OG1 THR A 53 -12.604 22.370 -35.848 1.00 3.27 O ATOM 807 CG2 THR A 53 -13.108 20.012 -35.800 1.00 3.46 C ATOM 0 H THR A 53 -10.341 22.731 -36.735 1.00 1.51 H new ATOM 0 HA THR A 53 -10.666 20.475 -34.928 1.00 1.81 H new ATOM 0 HB THR A 53 -12.257 21.073 -37.440 1.00 2.71 H new ATOM 0 HG1 THR A 53 -13.536 22.535 -36.101 1.00 3.27 H new ATOM 0 HG21 THR A 53 -14.136 20.222 -36.097 1.00 3.46 H new ATOM 0 HG22 THR A 53 -12.808 19.041 -36.195 1.00 3.46 H new ATOM 0 HG23 THR A 53 -13.040 19.998 -34.712 1.00 3.46 H new ATOM 815 N SER A 54 -9.143 20.130 -37.670 1.00 1.25 N ATOM 816 CA SER A 54 -8.579 19.211 -38.640 1.00 1.00 C ATOM 817 C SER A 54 -7.060 19.323 -38.713 1.00 0.82 C ATOM 818 O SER A 54 -6.504 20.422 -38.706 1.00 0.89 O ATOM 819 CB SER A 54 -9.196 19.472 -40.016 1.00 1.14 C ATOM 820 OG SER A 54 -9.105 20.845 -40.361 1.00 1.71 O ATOM 0 H SER A 54 -8.722 21.059 -37.668 1.00 1.25 H new ATOM 0 HA SER A 54 -8.815 18.197 -38.318 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.686 18.870 -40.768 1.00 1.14 H new ATOM 0 HB3 SER A 54 -10.241 19.162 -40.015 1.00 1.14 H new ATOM 0 HG SER A 54 -9.829 21.341 -39.924 1.00 1.71 H new ATOM 826 N PHE A 55 -6.398 18.178 -38.787 1.00 0.67 N ATOM 827 CA PHE A 55 -4.955 18.132 -38.972 1.00 0.60 C ATOM 828 C PHE A 55 -4.637 17.577 -40.350 1.00 0.52 C ATOM 829 O PHE A 55 -5.243 16.600 -40.785 1.00 0.50 O ATOM 830 CB PHE A 55 -4.282 17.263 -37.906 1.00 0.67 C ATOM 831 CG PHE A 55 -4.193 17.905 -36.551 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.160 18.780 -36.258 1.00 0.86 C ATOM 833 CD2 PHE A 55 -5.128 17.626 -35.568 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.061 19.367 -35.012 1.00 1.03 C ATOM 835 CE2 PHE A 55 -5.035 18.211 -34.319 1.00 1.15 C ATOM 836 CZ PHE A 55 -4.001 19.083 -34.041 1.00 1.15 C ATOM 0 H PHE A 55 -6.841 17.262 -38.721 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.569 19.147 -38.878 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.833 16.327 -37.816 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.276 17.010 -38.242 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.422 19.006 -37.014 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.938 16.944 -35.780 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.250 20.047 -34.797 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.771 17.986 -33.561 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.928 19.542 -33.066 1.00 1.15 H new ATOM 846 N ASP A 56 -3.697 18.208 -41.032 1.00 0.51 N ATOM 847 CA ASP A 56 -3.289 17.766 -42.354 1.00 0.52 C ATOM 848 C ASP A 56 -1.812 17.398 -42.332 1.00 0.50 C ATOM 849 O ASP A 56 -0.959 18.235 -42.027 1.00 0.55 O ATOM 850 CB ASP A 56 -3.557 18.865 -43.380 1.00 0.58 C ATOM 851 CG ASP A 56 -3.386 18.394 -44.809 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.305 17.733 -45.331 1.00 1.23 O ATOM 853 OD2 ASP A 56 -2.350 18.711 -45.425 1.00 1.35 O ATOM 0 H ASP A 56 -3.200 19.031 -40.691 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.867 16.887 -42.638 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.572 19.240 -43.246 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -2.881 19.700 -43.195 1.00 0.58 H new ATOM 858 N ALA A 57 -1.515 16.144 -42.618 1.00 0.48 N ATOM 859 CA ALA A 57 -0.152 15.651 -42.523 1.00 0.48 C ATOM 860 C ALA A 57 0.441 15.366 -43.893 1.00 0.44 C ATOM 861 O ALA A 57 -0.106 14.580 -44.673 1.00 0.46 O ATOM 862 CB ALA A 57 -0.103 14.400 -41.663 1.00 0.51 C ATOM 0 H ALA A 57 -2.198 15.448 -42.918 1.00 0.48 H new ATOM 0 HA ALA A 57 0.448 16.432 -42.057 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.924 14.041 -41.601 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.468 14.632 -40.662 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.730 13.628 -42.108 1.00 0.51 H new ATOM 868 N VAL A 58 1.558 16.010 -44.180 1.00 0.42 N ATOM 869 CA VAL A 58 2.301 15.743 -45.396 1.00 0.41 C ATOM 870 C VAL A 58 3.343 14.668 -45.122 1.00 0.39 C ATOM 871 O VAL A 58 4.296 14.892 -44.370 1.00 0.41 O ATOM 872 CB VAL A 58 2.999 17.012 -45.928 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.742 16.717 -47.216 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.994 18.131 -46.136 1.00 0.55 C ATOM 0 H VAL A 58 1.972 16.726 -43.583 1.00 0.42 H new ATOM 0 HA VAL A 58 1.597 15.404 -46.156 1.00 0.41 H new ATOM 0 HB VAL A 58 3.724 17.337 -45.182 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.226 17.626 -47.573 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.496 15.951 -47.034 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.038 16.361 -47.969 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.508 19.016 -46.511 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.241 17.815 -46.858 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.511 18.367 -45.188 1.00 0.55 H new ATOM 884 N ILE A 59 3.148 13.496 -45.708 1.00 0.38 N ATOM 885 CA ILE A 59 4.037 12.377 -45.454 1.00 0.40 C ATOM 886 C ILE A 59 5.051 12.241 -46.579 1.00 0.44 C ATOM 887 O ILE A 59 4.721 12.418 -47.751 1.00 0.65 O ATOM 888 CB ILE A 59 3.254 11.046 -45.269 1.00 0.49 C ATOM 889 CG1 ILE A 59 2.761 10.468 -46.601 1.00 1.18 C ATOM 890 CG2 ILE A 59 2.067 11.264 -44.348 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.639 9.360 -47.156 1.00 0.80 C ATOM 0 H ILE A 59 2.387 13.298 -46.358 1.00 0.38 H new ATOM 0 HA ILE A 59 4.563 12.581 -44.522 1.00 0.40 H new ATOM 0 HB ILE A 59 3.946 10.328 -44.829 1.00 0.49 H new ATOM 0 HG12 ILE A 59 1.750 10.084 -46.466 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.701 11.272 -47.334 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.525 10.326 -44.225 1.00 0.77 H new ATOM 0 HG22 ILE A 59 2.419 11.610 -43.376 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.403 12.012 -44.781 1.00 0.77 H new ATOM 0 HD11 ILE A 59 3.223 9.004 -48.099 1.00 0.80 H new ATOM 0 HD12 ILE A 59 4.645 9.743 -47.325 1.00 0.80 H new ATOM 0 HD13 ILE A 59 3.679 8.536 -46.443 1.00 0.80 H new ATOM 903 N VAL A 60 6.287 11.974 -46.208 1.00 0.39 N ATOM 904 CA VAL A 60 7.336 11.700 -47.168 1.00 0.42 C ATOM 905 C VAL A 60 7.969 10.355 -46.840 1.00 0.40 C ATOM 906 O VAL A 60 8.786 10.255 -45.925 1.00 0.44 O ATOM 907 CB VAL A 60 8.416 12.806 -47.155 1.00 0.51 C ATOM 908 CG1 VAL A 60 9.515 12.506 -48.159 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.798 14.168 -47.436 1.00 0.58 C ATOM 0 H VAL A 60 6.592 11.941 -45.235 1.00 0.39 H new ATOM 0 HA VAL A 60 6.897 11.676 -48.166 1.00 0.42 H new ATOM 0 HB VAL A 60 8.860 12.827 -46.160 1.00 0.51 H new ATOM 0 HG11 VAL A 60 10.262 13.300 -48.129 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.986 11.555 -47.910 1.00 0.58 H new ATOM 0 HG13 VAL A 60 9.087 12.447 -49.160 1.00 0.58 H new ATOM 0 HG21 VAL A 60 8.577 14.931 -47.422 1.00 0.58 H new ATOM 0 HG22 VAL A 60 7.320 14.156 -48.415 1.00 0.58 H new ATOM 0 HG23 VAL A 60 7.054 14.395 -46.672 1.00 0.58 H new ATOM 919 N SER A 61 7.568 9.315 -47.561 1.00 0.39 N ATOM 920 CA SER A 61 8.021 7.966 -47.253 1.00 0.42 C ATOM 921 C SER A 61 8.339 7.174 -48.515 1.00 0.42 C ATOM 922 O SER A 61 7.728 7.378 -49.563 1.00 0.43 O ATOM 923 CB SER A 61 6.960 7.228 -46.430 1.00 0.45 C ATOM 924 OG SER A 61 7.313 5.866 -46.245 1.00 0.84 O ATOM 0 H SER A 61 6.934 9.380 -48.358 1.00 0.39 H new ATOM 0 HA SER A 61 8.939 8.053 -46.672 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.846 7.712 -45.460 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.995 7.292 -46.934 1.00 0.45 H new ATOM 0 HG SER A 61 7.871 5.779 -45.444 1.00 0.84 H new ATOM 930 N ASN A 62 9.314 6.275 -48.398 1.00 0.51 N ATOM 931 CA ASN A 62 9.657 5.348 -49.476 1.00 0.57 C ATOM 932 C ASN A 62 8.533 4.342 -49.712 1.00 0.56 C ATOM 933 O ASN A 62 8.457 3.727 -50.771 1.00 0.59 O ATOM 934 CB ASN A 62 10.957 4.594 -49.158 1.00 0.75 C ATOM 935 CG ASN A 62 12.212 5.351 -49.566 1.00 0.86 C ATOM 936 OD1 ASN A 62 13.234 4.744 -49.888 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.147 6.674 -49.557 1.00 0.76 N ATOM 0 H ASN A 62 9.885 6.168 -47.560 1.00 0.51 H new ATOM 0 HA ASN A 62 9.800 5.939 -50.381 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.997 4.390 -48.088 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.942 3.630 -49.666 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.962 7.226 -49.823 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.282 7.140 -49.284 1.00 0.76 H new ATOM 944 N ASN A 63 7.658 4.188 -48.726 1.00 0.57 N ATOM 945 CA ASN A 63 6.591 3.188 -48.784 1.00 0.66 C ATOM 946 C ASN A 63 5.717 3.357 -50.029 1.00 0.67 C ATOM 947 O ASN A 63 5.345 2.377 -50.677 1.00 0.86 O ATOM 948 CB ASN A 63 5.724 3.276 -47.522 1.00 0.73 C ATOM 949 CG ASN A 63 4.597 2.255 -47.502 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.715 1.167 -48.059 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.499 2.601 -46.847 1.00 1.00 N ATOM 0 H ASN A 63 7.664 4.744 -47.871 1.00 0.57 H new ATOM 0 HA ASN A 63 7.061 2.206 -48.841 1.00 0.66 H new ATOM 0 HB2 ASN A 63 6.354 3.131 -46.644 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.301 4.278 -47.448 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.713 1.954 -46.792 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.440 3.515 -46.397 1.00 1.00 H new ATOM 958 N PHE A 64 5.422 4.600 -50.385 1.00 0.60 N ATOM 959 CA PHE A 64 4.453 4.873 -51.440 1.00 0.67 C ATOM 960 C PHE A 64 5.128 5.055 -52.805 1.00 0.60 C ATOM 961 O PHE A 64 4.459 5.346 -53.795 1.00 0.65 O ATOM 962 CB PHE A 64 3.624 6.113 -51.077 1.00 0.80 C ATOM 963 CG PHE A 64 2.389 6.297 -51.919 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.368 5.358 -51.889 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.251 7.402 -52.743 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.234 5.520 -52.663 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.120 7.570 -53.520 1.00 2.95 C ATOM 968 CZ PHE A 64 0.110 6.627 -53.479 1.00 3.19 C ATOM 0 H PHE A 64 5.836 5.431 -49.963 1.00 0.60 H new ATOM 0 HA PHE A 64 3.793 4.009 -51.522 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.330 6.046 -50.030 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.252 6.998 -51.175 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.460 4.490 -51.253 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.037 8.142 -52.779 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.554 4.782 -52.629 1.00 2.66 H new ATOM 0 HE2 PHE A 64 1.026 8.436 -54.158 1.00 2.95 H new ATOM 0 HZ PHE A 64 -0.775 6.756 -54.084 1.00 3.19 H new ATOM 978 N GLU A 65 6.442 4.842 -52.881 1.00 0.58 N ATOM 979 CA GLU A 65 7.153 5.034 -54.148 1.00 0.61 C ATOM 980 C GLU A 65 6.848 3.886 -55.106 1.00 0.65 C ATOM 981 O GLU A 65 7.109 3.973 -56.307 1.00 0.75 O ATOM 982 CB GLU A 65 8.669 5.194 -53.920 1.00 0.71 C ATOM 983 CG GLU A 65 9.414 3.915 -53.565 1.00 0.87 C ATOM 984 CD GLU A 65 9.921 3.170 -54.784 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.753 3.738 -55.524 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.484 2.023 -55.013 1.00 2.14 O ATOM 0 H GLU A 65 7.026 4.543 -52.100 1.00 0.58 H new ATOM 0 HA GLU A 65 6.799 5.958 -54.604 1.00 0.61 H new ATOM 0 HB2 GLU A 65 9.113 5.614 -54.823 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.825 5.919 -53.121 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.257 4.159 -52.918 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.753 3.262 -52.995 1.00 0.87 H new ATOM 993 N ASP A 66 6.282 2.812 -54.558 1.00 0.69 N ATOM 994 CA ASP A 66 5.831 1.679 -55.359 1.00 0.84 C ATOM 995 C ASP A 66 4.461 1.983 -55.959 1.00 0.80 C ATOM 996 O ASP A 66 3.994 1.292 -56.866 1.00 0.93 O ATOM 997 CB ASP A 66 5.762 0.414 -54.495 1.00 1.00 C ATOM 998 CG ASP A 66 5.330 -0.815 -55.275 1.00 1.40 C ATOM 999 OD1 ASP A 66 6.188 -1.462 -55.905 1.00 2.03 O ATOM 1000 OD2 ASP A 66 4.130 -1.142 -55.263 1.00 1.94 O ATOM 0 H ASP A 66 6.125 2.704 -53.556 1.00 0.69 H new ATOM 0 HA ASP A 66 6.543 1.510 -56.167 1.00 0.84 H new ATOM 0 HB2 ASP A 66 6.740 0.230 -54.051 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.065 0.580 -53.673 1.00 1.00 H new ATOM 1005 N LYS A 67 3.842 3.050 -55.450 1.00 0.78 N ATOM 1006 CA LYS A 67 2.518 3.496 -55.887 1.00 0.88 C ATOM 1007 C LYS A 67 1.446 2.487 -55.480 1.00 0.78 C ATOM 1008 O LYS A 67 0.474 2.270 -56.203 1.00 0.86 O ATOM 1009 CB LYS A 67 2.481 3.731 -57.405 1.00 1.17 C ATOM 1010 CG LYS A 67 3.613 4.607 -57.933 1.00 1.67 C ATOM 1011 CD LYS A 67 3.655 5.977 -57.267 1.00 2.00 C ATOM 1012 CE LYS A 67 2.385 6.772 -57.519 1.00 2.46 C ATOM 1013 NZ LYS A 67 2.516 8.178 -57.053 1.00 3.31 N ATOM 0 H LYS A 67 4.248 3.633 -54.718 1.00 0.78 H new ATOM 0 HA LYS A 67 2.309 4.445 -55.393 1.00 0.88 H new ATOM 0 HB2 LYS A 67 2.518 2.766 -57.911 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.528 4.192 -57.666 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.565 4.100 -57.773 1.00 1.67 H new ATOM 0 HG3 LYS A 67 3.497 4.734 -59.009 1.00 1.67 H new ATOM 0 HD2 LYS A 67 3.799 5.854 -56.194 1.00 2.00 H new ATOM 0 HD3 LYS A 67 4.513 6.536 -57.641 1.00 2.00 H new ATOM 0 HE2 LYS A 67 2.154 6.761 -58.584 1.00 2.46 H new ATOM 0 HE3 LYS A 67 1.549 6.295 -57.007 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 1.631 8.690 -57.241 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 2.712 8.188 -56.032 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.298 8.640 -57.560 1.00 3.31 H new ATOM 1027 N LYS A 68 1.627 1.883 -54.311 1.00 0.83 N ATOM 1028 CA LYS A 68 0.661 0.928 -53.776 1.00 0.90 C ATOM 1029 C LYS A 68 -0.602 1.632 -53.294 1.00 0.82 C ATOM 1030 O LYS A 68 -0.658 2.124 -52.165 1.00 0.87 O ATOM 1031 CB LYS A 68 1.274 0.139 -52.620 1.00 1.16 C ATOM 1032 CG LYS A 68 2.090 -1.068 -53.048 1.00 1.35 C ATOM 1033 CD LYS A 68 1.224 -2.103 -53.750 1.00 1.37 C ATOM 1034 CE LYS A 68 1.904 -3.462 -53.796 1.00 1.55 C ATOM 1035 NZ LYS A 68 3.089 -3.476 -54.691 1.00 1.99 N ATOM 0 H LYS A 68 2.438 2.038 -53.712 1.00 0.83 H new ATOM 0 HA LYS A 68 0.394 0.244 -54.582 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.911 0.805 -52.039 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.474 -0.194 -51.959 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.891 -0.749 -53.715 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.562 -1.518 -52.175 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.269 -2.191 -53.232 1.00 1.37 H new ATOM 0 HD3 LYS A 68 1.007 -1.769 -54.765 1.00 1.37 H new ATOM 0 HE2 LYS A 68 2.210 -3.746 -52.789 1.00 1.55 H new ATOM 0 HE3 LYS A 68 1.188 -4.211 -54.134 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 2.946 -4.177 -55.445 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 3.216 -2.534 -55.113 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 3.936 -3.726 -54.142 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.612 1.676 -54.149 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.873 2.315 -53.804 1.00 0.91 C ATOM 1051 C LEU A 69 -3.644 1.438 -52.824 1.00 0.85 C ATOM 1052 O LEU A 69 -4.129 1.913 -51.795 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.697 2.575 -55.080 1.00 1.16 C ATOM 1054 CG LEU A 69 -4.882 3.549 -54.943 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.056 2.902 -54.221 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -4.447 4.817 -54.222 1.00 2.33 C ATOM 0 H LEU A 69 -1.583 1.277 -55.087 1.00 0.84 H new ATOM 0 HA LEU A 69 -2.676 3.274 -53.325 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.026 2.960 -55.848 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.080 1.620 -55.440 1.00 1.16 H new ATOM 0 HG LEU A 69 -5.214 3.811 -55.947 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.874 3.618 -54.142 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -6.391 2.029 -54.781 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.745 2.595 -53.222 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -5.296 5.495 -54.133 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -4.081 4.563 -53.227 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -3.652 5.303 -54.788 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.734 0.151 -53.133 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.484 -0.776 -52.294 1.00 0.91 C ATOM 1070 C LEU A 70 -3.812 -0.960 -50.934 1.00 0.79 C ATOM 1071 O LEU A 70 -4.491 -1.148 -49.921 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.737 -2.131 -53.015 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.538 -3.075 -53.305 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.377 -2.355 -53.975 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.078 -3.804 -52.048 1.00 1.07 C ATOM 0 H LEU A 70 -3.300 -0.273 -53.953 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.464 -0.336 -52.110 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.457 -2.690 -52.417 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.217 -1.910 -53.968 1.00 1.06 H new ATOM 0 HG LEU A 70 -3.901 -3.821 -54.012 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.566 -3.061 -54.155 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.709 -1.934 -54.924 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.023 -1.554 -53.327 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.238 -4.455 -52.292 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.768 -3.076 -51.298 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -3.899 -4.403 -51.654 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.483 -0.875 -50.899 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.755 -1.016 -49.644 1.00 0.70 C ATOM 1089 C ASP A 71 -1.909 0.221 -48.775 1.00 0.63 C ATOM 1090 O ASP A 71 -2.131 0.105 -47.572 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.275 -1.330 -49.867 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.009 -2.824 -49.934 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.369 -3.541 -48.977 1.00 1.58 O ATOM 1094 OD2 ASP A 71 0.565 -3.289 -50.937 1.00 2.08 O ATOM 0 H ASP A 71 -1.896 -0.711 -51.717 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.196 -1.864 -49.121 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.059 -0.861 -50.793 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.313 -0.894 -49.059 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.825 1.411 -49.370 1.00 0.67 N ATOM 1100 CA ARG A 72 -2.005 2.634 -48.592 1.00 0.74 C ATOM 1101 C ARG A 72 -3.424 2.685 -48.042 1.00 0.67 C ATOM 1102 O ARG A 72 -3.674 3.281 -47.001 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.688 3.904 -49.413 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.753 4.311 -50.429 1.00 1.31 C ATOM 1105 CD ARG A 72 -3.495 5.585 -50.014 1.00 1.53 C ATOM 1106 NE ARG A 72 -4.288 5.393 -48.795 1.00 1.92 N ATOM 1107 CZ ARG A 72 -5.452 5.999 -48.543 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -5.922 6.939 -49.358 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -6.130 5.680 -47.444 1.00 2.93 N ATOM 0 H ARG A 72 -1.638 1.553 -50.363 1.00 0.67 H new ATOM 0 HA ARG A 72 -1.295 2.613 -47.765 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.533 4.733 -48.722 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -0.747 3.749 -49.941 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.284 4.466 -51.401 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -3.469 3.498 -50.547 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.774 6.387 -49.854 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -4.150 5.902 -50.825 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.925 4.752 -48.090 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -5.392 7.206 -50.188 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -6.812 7.393 -49.153 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -5.760 4.978 -46.802 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -7.019 6.137 -47.243 1.00 2.93 H new ATOM 1123 N HIS A 73 -4.350 2.057 -48.753 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.732 1.966 -48.305 1.00 0.71 C ATOM 1125 C HIS A 73 -5.815 1.133 -47.030 1.00 0.62 C ATOM 1126 O HIS A 73 -6.236 1.625 -45.985 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.598 1.347 -49.415 1.00 0.82 C ATOM 1128 CG HIS A 73 -8.054 1.199 -49.068 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.964 2.219 -49.195 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.754 0.128 -48.623 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -10.162 1.787 -48.846 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -10.064 0.516 -48.497 1.00 1.15 N ATOM 0 H HIS A 73 -4.167 1.601 -49.647 1.00 0.68 H new ATOM 0 HA HIS A 73 -6.107 2.966 -48.087 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.513 1.964 -50.310 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -6.197 0.365 -49.665 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.354 -0.852 -48.407 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -11.069 2.373 -48.846 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.833 -0.077 -48.186 1.00 1.15 H new ATOM 1141 N ARG A 74 -5.362 -0.111 -47.117 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.474 -1.055 -46.010 1.00 0.59 C ATOM 1143 C ARG A 74 -4.663 -0.598 -44.795 1.00 0.51 C ATOM 1144 O ARG A 74 -5.134 -0.683 -43.660 1.00 0.52 O ATOM 1145 CB ARG A 74 -5.029 -2.450 -46.469 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.558 -2.533 -46.838 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.279 -3.639 -47.838 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.563 -4.970 -47.315 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.942 -6.066 -47.735 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.933 -5.972 -48.597 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.300 -7.254 -47.269 1.00 1.32 N ATOM 0 H ARG A 74 -4.910 -0.493 -47.948 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.519 -1.097 -45.702 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.236 -3.167 -45.674 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.627 -2.747 -47.330 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.235 -1.579 -47.255 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.968 -2.703 -45.937 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -3.879 -3.471 -48.732 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.233 -3.590 -48.142 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.274 -5.064 -46.590 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.635 -5.057 -48.936 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -1.457 -6.815 -48.919 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.054 -7.328 -46.586 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -2.821 -8.094 -47.593 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.457 -0.088 -45.033 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.579 0.331 -43.947 1.00 0.46 C ATOM 1167 C LEU A 75 -3.161 1.530 -43.211 1.00 0.42 C ATOM 1168 O LEU A 75 -3.291 1.512 -41.987 1.00 0.42 O ATOM 1169 CB LEU A 75 -1.182 0.668 -44.476 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.432 -0.495 -45.132 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.939 -0.044 -45.610 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.306 -1.661 -44.167 1.00 1.36 C ATOM 0 H LEU A 75 -3.067 0.044 -45.966 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.496 -0.500 -43.247 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -1.272 1.476 -45.202 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.580 1.047 -43.650 1.00 0.51 H new ATOM 0 HG LEU A 75 -1.004 -0.828 -45.998 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.457 -0.884 -46.073 1.00 1.48 H new ATOM 0 HD12 LEU A 75 0.824 0.758 -46.339 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.520 0.317 -44.761 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.230 -2.478 -44.651 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.243 -1.342 -43.281 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -1.300 -2.001 -43.876 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.527 2.561 -43.965 1.00 0.45 N ATOM 1185 CA VAL A 76 -4.082 3.775 -43.381 1.00 0.50 C ATOM 1186 C VAL A 76 -5.341 3.473 -42.576 1.00 0.48 C ATOM 1187 O VAL A 76 -5.492 3.950 -41.460 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.387 4.843 -44.462 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.303 5.934 -43.926 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -3.093 5.456 -44.975 1.00 0.82 C ATOM 0 H VAL A 76 -3.449 2.580 -44.982 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.325 4.179 -42.708 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.902 4.346 -45.284 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.496 6.666 -44.711 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -6.245 5.492 -43.603 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.825 6.427 -43.080 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.321 6.205 -45.734 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.561 5.927 -44.149 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.469 4.676 -45.411 1.00 0.82 H new ATOM 1200 N ASN A 77 -6.229 2.660 -43.127 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.485 2.359 -42.449 1.00 0.53 C ATOM 1202 C ASN A 77 -7.242 1.626 -41.133 1.00 0.49 C ATOM 1203 O ASN A 77 -7.842 1.961 -40.119 1.00 0.54 O ATOM 1204 CB ASN A 77 -8.417 1.533 -43.345 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.895 2.281 -44.583 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -9.154 1.676 -45.621 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -9.021 3.598 -44.490 1.00 0.92 N ATOM 0 H ASN A 77 -6.108 2.201 -44.030 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.969 3.311 -42.231 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.898 0.626 -43.656 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -9.284 1.220 -42.763 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.341 4.138 -45.294 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -8.798 4.071 -43.614 1.00 0.92 H new ATOM 1214 N THR A 78 -6.333 0.659 -41.147 1.00 0.45 N ATOM 1215 CA THR A 78 -6.096 -0.191 -39.983 1.00 0.50 C ATOM 1216 C THR A 78 -5.471 0.587 -38.816 1.00 0.46 C ATOM 1217 O THR A 78 -5.845 0.399 -37.657 1.00 0.50 O ATOM 1218 CB THR A 78 -5.182 -1.380 -40.353 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.729 -2.083 -41.478 1.00 0.62 O ATOM 1220 CG2 THR A 78 -5.028 -2.342 -39.184 1.00 0.69 C ATOM 0 H THR A 78 -5.746 0.442 -41.952 1.00 0.45 H new ATOM 0 HA THR A 78 -7.069 -0.562 -39.661 1.00 0.50 H new ATOM 0 HB THR A 78 -4.199 -0.983 -40.605 1.00 0.57 H new ATOM 0 HG1 THR A 78 -5.245 -1.826 -42.291 1.00 0.62 H new ATOM 0 HG21 THR A 78 -4.379 -3.168 -39.476 1.00 0.69 H new ATOM 0 HG22 THR A 78 -4.588 -1.817 -38.336 1.00 0.69 H new ATOM 0 HG23 THR A 78 -6.006 -2.731 -38.902 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.529 1.464 -39.128 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.785 2.190 -38.102 1.00 0.45 C ATOM 1230 C ILE A 79 -4.487 3.505 -37.748 1.00 0.45 C ATOM 1231 O ILE A 79 -4.795 3.796 -36.572 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.351 2.477 -38.595 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.757 1.216 -39.227 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.470 2.955 -37.449 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.497 1.471 -40.020 1.00 0.77 C ATOM 0 H ILE A 79 -4.259 1.693 -40.085 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.742 1.570 -37.206 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.394 3.268 -39.344 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -1.541 0.493 -38.440 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -2.502 0.762 -39.881 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.464 3.151 -37.821 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -1.886 3.870 -37.028 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.428 2.187 -36.677 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.134 0.532 -40.438 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -0.711 2.169 -40.829 1.00 0.77 H new ATOM 0 HD13 ILE A 79 0.265 1.896 -39.366 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.781 4.286 -38.777 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.433 5.566 -38.582 1.00 0.52 C ATOM 1249 C LEU A 80 -6.854 5.368 -38.083 1.00 0.56 C ATOM 1250 O LEU A 80 -7.510 6.323 -37.697 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.413 6.417 -39.857 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.074 7.100 -40.173 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.993 6.080 -40.507 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.239 8.089 -41.313 1.00 0.71 C ATOM 0 H LEU A 80 -4.578 4.055 -39.750 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.871 6.111 -37.824 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.686 5.783 -40.701 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.182 7.185 -39.773 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.758 7.640 -39.281 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.059 6.598 -40.725 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.848 5.412 -39.658 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.298 5.499 -41.377 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.281 8.564 -41.524 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.588 7.564 -42.202 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -4.967 8.850 -41.032 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.326 4.121 -38.104 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.530 3.748 -37.376 1.00 0.68 C ATOM 1268 C LYS A 81 -8.462 4.302 -35.958 1.00 0.68 C ATOM 1269 O LYS A 81 -9.327 5.063 -35.534 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.664 2.221 -37.332 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.744 1.709 -36.391 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.135 2.128 -36.832 1.00 0.99 C ATOM 1273 CE LYS A 81 -12.193 1.551 -35.907 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.569 1.916 -36.330 1.00 1.93 N ATOM 0 H LYS A 81 -6.890 3.356 -38.618 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.399 4.165 -37.885 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.875 1.858 -38.338 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.707 1.793 -37.033 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.693 0.621 -36.340 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.555 2.085 -35.385 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -11.206 3.216 -36.839 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.315 1.790 -37.853 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -12.098 0.465 -35.882 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.020 1.909 -34.892 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -14.257 1.501 -35.670 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.669 2.951 -36.329 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.746 1.552 -37.288 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.408 3.937 -35.239 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.245 4.385 -33.869 1.00 0.73 C ATOM 1290 C GLU A 82 -6.815 5.846 -33.813 1.00 0.67 C ATOM 1291 O GLU A 82 -7.153 6.552 -32.863 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.264 3.499 -33.109 1.00 0.90 C ATOM 1293 CG GLU A 82 -6.786 2.092 -32.888 1.00 1.53 C ATOM 1294 CD GLU A 82 -5.910 1.280 -31.961 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -6.149 1.306 -30.737 1.00 2.75 O ATOM 1296 OE2 GLU A 82 -4.988 0.601 -32.453 1.00 2.91 O ATOM 0 H GLU A 82 -6.659 3.335 -35.582 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.216 4.303 -33.380 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -5.325 3.450 -33.660 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.044 3.955 -32.144 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.793 2.144 -32.475 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.861 1.582 -33.849 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.077 6.297 -34.825 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.728 7.728 -34.929 1.00 0.64 C ATOM 1305 C GLU A 83 -6.965 8.593 -34.840 1.00 0.55 C ATOM 1306 O GLU A 83 -7.087 9.485 -33.998 1.00 0.58 O ATOM 1307 CB GLU A 83 -5.150 8.022 -36.293 1.00 0.70 C ATOM 1308 CG GLU A 83 -3.685 7.774 -36.475 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.147 6.530 -35.795 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.193 6.450 -34.552 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.666 5.628 -36.500 1.00 1.66 O ATOM 0 H GLU A 83 -5.711 5.712 -35.576 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.027 7.939 -34.121 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -5.689 7.423 -37.026 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.349 9.068 -36.528 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.475 7.704 -37.542 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -3.138 8.639 -36.099 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.871 8.286 -35.742 1.00 0.49 N ATOM 1319 CA LEU A 84 -9.162 8.980 -35.860 1.00 0.48 C ATOM 1320 C LEU A 84 -9.909 9.078 -34.529 1.00 0.52 C ATOM 1321 O LEU A 84 -10.662 10.021 -34.321 1.00 0.58 O ATOM 1322 CB LEU A 84 -10.074 8.303 -36.888 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.518 8.219 -38.310 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.596 7.764 -39.280 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.921 9.553 -38.742 1.00 0.51 C ATOM 0 H LEU A 84 -7.744 7.542 -36.428 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.918 9.989 -36.192 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.294 7.293 -36.543 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -11.021 8.842 -36.918 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.718 7.478 -38.320 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -10.181 7.710 -40.286 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.959 6.780 -38.985 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -11.422 8.475 -39.266 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.533 9.466 -39.757 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.692 10.323 -38.713 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -8.111 9.825 -38.066 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.730 8.105 -33.640 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.421 8.140 -32.348 1.00 0.67 C ATOM 1339 C GLN A 85 -10.050 9.407 -31.575 1.00 0.70 C ATOM 1340 O GLN A 85 -10.804 9.864 -30.716 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.087 6.915 -31.490 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.329 5.572 -32.163 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.631 5.500 -32.936 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -12.691 5.226 -32.375 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.541 5.686 -34.242 1.00 0.72 N ATOM 0 H GLN A 85 -9.125 7.296 -33.782 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.490 8.134 -32.559 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.040 6.972 -31.194 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -10.679 6.958 -30.576 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.502 5.362 -32.842 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.324 4.790 -31.404 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.640 5.912 -34.664 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.372 5.604 -34.827 1.00 0.72 H new ATOM 1354 N ASN A 86 -8.892 9.972 -31.899 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.397 11.165 -31.220 1.00 0.71 C ATOM 1356 C ASN A 86 -8.615 12.415 -32.072 1.00 0.67 C ATOM 1357 O ASN A 86 -8.682 13.529 -31.550 1.00 0.77 O ATOM 1358 CB ASN A 86 -6.901 11.022 -30.906 1.00 0.75 C ATOM 1359 CG ASN A 86 -6.586 9.806 -30.053 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -6.601 9.871 -28.826 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.284 8.689 -30.699 1.00 0.87 N ATOM 0 H ASN A 86 -8.275 9.621 -32.632 1.00 0.64 H new ATOM 0 HA ASN A 86 -8.957 11.270 -30.291 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.344 10.957 -31.841 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.556 11.919 -30.391 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -6.053 7.844 -30.176 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.282 8.674 -31.719 1.00 0.87 H new ATOM 1368 N ILE A 87 -8.737 12.229 -33.381 1.00 0.61 N ATOM 1369 CA ILE A 87 -8.838 13.357 -34.299 1.00 0.62 C ATOM 1370 C ILE A 87 -10.232 13.451 -34.896 1.00 0.67 C ATOM 1371 O ILE A 87 -10.789 12.456 -35.349 1.00 0.77 O ATOM 1372 CB ILE A 87 -7.831 13.254 -35.462 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.538 12.581 -34.999 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.544 14.639 -36.025 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.441 12.587 -36.036 1.00 0.59 C ATOM 0 H ILE A 87 -8.768 11.313 -33.829 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.615 14.246 -33.708 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.267 12.639 -36.249 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.179 13.084 -34.101 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -6.756 11.550 -34.721 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -6.832 14.558 -36.846 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.470 15.082 -36.391 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.124 15.270 -35.242 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.557 12.092 -35.633 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -5.779 12.057 -36.927 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.193 13.616 -36.298 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.787 14.647 -34.913 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.103 14.853 -35.500 1.00 0.80 C ATOM 1389 C HIS A 88 -12.024 14.749 -37.020 1.00 0.76 C ATOM 1390 O HIS A 88 -12.878 14.130 -37.656 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.685 16.209 -35.091 1.00 0.95 C ATOM 1392 CG HIS A 88 -14.100 16.415 -35.548 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.195 16.113 -34.768 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.596 16.891 -36.717 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.300 16.390 -35.434 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.963 16.865 -36.617 1.00 1.85 N ATOM 0 H HIS A 88 -10.354 15.488 -34.531 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.767 14.074 -35.124 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.645 16.300 -34.006 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -12.060 17.002 -35.501 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.022 17.228 -37.567 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.308 16.251 -35.072 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.615 17.165 -37.342 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.998 15.358 -37.598 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.799 15.308 -39.038 1.00 0.68 C ATOM 1407 C ALA A 89 -9.314 15.278 -39.380 1.00 0.62 C ATOM 1408 O ALA A 89 -8.616 16.285 -39.260 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.479 16.491 -39.711 1.00 0.78 C ATOM 0 H ALA A 89 -10.292 15.892 -37.092 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.252 14.390 -39.413 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.320 16.438 -40.788 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.548 16.464 -39.500 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.057 17.420 -39.327 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.827 14.114 -39.773 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.445 13.979 -40.199 1.00 0.47 C ATOM 1417 C PHE A 90 -7.360 13.842 -41.716 1.00 0.48 C ATOM 1418 O PHE A 90 -8.101 13.069 -42.326 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.794 12.772 -39.523 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.334 12.619 -39.840 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.391 13.437 -39.239 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.906 11.655 -40.737 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.048 13.296 -39.527 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.564 11.511 -41.029 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.635 12.331 -40.423 1.00 0.49 C ATOM 0 H PHE A 90 -9.367 13.250 -39.806 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.907 14.879 -39.902 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.915 12.862 -38.443 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.320 11.868 -39.829 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.710 14.193 -38.537 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.629 11.009 -41.213 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.322 13.940 -39.052 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.242 10.757 -41.732 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.585 12.218 -40.650 1.00 0.49 H new ATOM 1435 N SER A 91 -6.462 14.603 -42.315 1.00 0.44 N ATOM 1436 CA SER A 91 -6.221 14.534 -43.744 1.00 0.48 C ATOM 1437 C SER A 91 -4.749 14.239 -43.996 1.00 0.45 C ATOM 1438 O SER A 91 -3.885 14.672 -43.230 1.00 0.52 O ATOM 1439 CB SER A 91 -6.627 15.850 -44.408 1.00 0.56 C ATOM 1440 OG SER A 91 -7.968 16.185 -44.082 1.00 1.27 O ATOM 0 H SER A 91 -5.881 15.284 -41.826 1.00 0.44 H new ATOM 0 HA SER A 91 -6.821 13.733 -44.176 1.00 0.48 H new ATOM 0 HB2 SER A 91 -5.959 16.648 -44.084 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.521 15.765 -45.489 1.00 0.56 H new ATOM 0 HG SER A 91 -8.208 17.031 -44.515 1.00 1.27 H new ATOM 1446 N MET A 92 -4.459 13.493 -45.049 1.00 0.48 N ATOM 1447 CA MET A 92 -3.091 13.089 -45.320 1.00 0.48 C ATOM 1448 C MET A 92 -2.715 13.332 -46.777 1.00 0.53 C ATOM 1449 O MET A 92 -3.514 13.103 -47.694 1.00 0.62 O ATOM 1450 CB MET A 92 -2.881 11.607 -44.965 1.00 0.52 C ATOM 1451 CG MET A 92 -3.585 10.623 -45.898 1.00 0.61 C ATOM 1452 SD MET A 92 -5.388 10.718 -45.825 1.00 0.64 S ATOM 1453 CE MET A 92 -5.687 10.227 -44.129 1.00 0.64 C ATOM 0 H MET A 92 -5.146 13.158 -45.724 1.00 0.48 H new ATOM 0 HA MET A 92 -2.441 13.700 -44.694 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.812 11.393 -44.973 1.00 0.52 H new ATOM 0 HB3 MET A 92 -3.233 11.437 -43.947 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.261 10.811 -46.922 1.00 0.61 H new ATOM 0 HG3 MET A 92 -3.273 9.610 -45.646 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.655 9.731 -44.059 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.904 9.541 -43.805 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.684 11.109 -43.489 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.503 13.823 -46.978 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.933 13.956 -48.308 1.00 0.59 C ATOM 1465 C LYS A 93 0.179 12.940 -48.480 1.00 0.49 C ATOM 1466 O LYS A 93 1.242 13.059 -47.870 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.391 15.370 -48.551 1.00 0.70 C ATOM 1468 CG LYS A 93 -1.431 16.372 -49.037 1.00 1.14 C ATOM 1469 CD LYS A 93 -2.596 16.492 -48.074 1.00 1.44 C ATOM 1470 CE LYS A 93 -3.481 17.685 -48.399 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.177 17.534 -49.705 1.00 2.23 N ATOM 0 H LYS A 93 -0.889 14.139 -46.227 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.721 13.774 -49.038 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.047 15.741 -47.625 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.413 15.316 -49.285 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -0.963 17.348 -49.163 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.800 16.066 -50.016 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -3.191 15.579 -48.108 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.217 16.588 -47.056 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -4.221 17.812 -47.608 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -2.874 18.590 -48.416 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.768 18.371 -49.882 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.473 17.440 -50.465 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.778 16.685 -49.682 1.00 2.23 H new ATOM 1485 N CYS A 94 -0.075 11.940 -49.299 1.00 0.56 N ATOM 1486 CA CYS A 94 0.878 10.860 -49.497 1.00 0.54 C ATOM 1487 C CYS A 94 1.924 11.260 -50.527 1.00 0.52 C ATOM 1488 O CYS A 94 1.669 11.237 -51.733 1.00 0.64 O ATOM 1489 CB CYS A 94 0.154 9.576 -49.918 1.00 0.73 C ATOM 1490 SG CYS A 94 -0.982 9.783 -51.312 1.00 1.38 S ATOM 0 H CYS A 94 -0.935 11.850 -49.841 1.00 0.56 H new ATOM 0 HA CYS A 94 1.388 10.665 -48.553 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.897 8.823 -50.179 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.404 9.191 -49.064 1.00 0.73 H new ATOM 0 HG CYS A 94 -0.554 9.092 -52.327 1.00 1.38 H new ATOM 1496 N HIS A 95 3.089 11.671 -50.047 1.00 0.44 N ATOM 1497 CA HIS A 95 4.156 12.121 -50.932 1.00 0.50 C ATOM 1498 C HIS A 95 5.395 11.246 -50.799 1.00 0.44 C ATOM 1499 O HIS A 95 5.557 10.502 -49.827 1.00 0.44 O ATOM 1500 CB HIS A 95 4.533 13.578 -50.645 1.00 0.62 C ATOM 1501 CG HIS A 95 3.491 14.581 -51.043 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.670 15.938 -50.901 1.00 1.36 N ATOM 1503 CD2 HIS A 95 2.258 14.424 -51.584 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.597 16.572 -51.334 1.00 1.65 C ATOM 1505 NE2 HIS A 95 1.726 15.677 -51.755 1.00 1.98 N ATOM 0 H HIS A 95 3.320 11.703 -49.054 1.00 0.44 H new ATOM 0 HA HIS A 95 3.777 12.043 -51.951 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.733 13.685 -49.579 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.461 13.810 -51.168 1.00 0.62 H new ATOM 0 HD2 HIS A 95 1.783 13.487 -51.834 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.456 17.643 -51.342 1.00 1.65 H new ATOM 0 HE2 HIS A 95 0.806 15.882 -52.145 1.00 1.98 H new ATOM 1514 N THR A 96 6.266 11.349 -51.785 1.00 0.46 N ATOM 1515 CA THR A 96 7.504 10.602 -51.803 1.00 0.49 C ATOM 1516 C THR A 96 8.707 11.547 -51.788 1.00 0.46 C ATOM 1517 O THR A 96 8.591 12.714 -52.175 1.00 0.47 O ATOM 1518 CB THR A 96 7.555 9.681 -53.037 1.00 0.58 C ATOM 1519 OG1 THR A 96 6.653 10.165 -54.046 1.00 0.76 O ATOM 1520 CG2 THR A 96 7.176 8.260 -52.655 1.00 0.65 C ATOM 0 H THR A 96 6.133 11.954 -52.595 1.00 0.46 H new ATOM 0 HA THR A 96 7.546 9.984 -50.906 1.00 0.49 H new ATOM 0 HB THR A 96 8.572 9.682 -53.429 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.138 10.749 -54.666 1.00 0.76 H new ATOM 0 HG21 THR A 96 7.217 7.623 -53.538 1.00 0.65 H new ATOM 0 HG22 THR A 96 7.873 7.887 -51.905 1.00 0.65 H new ATOM 0 HG23 THR A 96 6.165 8.250 -52.247 1.00 0.65 H new ATOM 1528 N PRO A 97 9.872 11.061 -51.321 1.00 0.47 N ATOM 1529 CA PRO A 97 11.088 11.879 -51.198 1.00 0.48 C ATOM 1530 C PRO A 97 11.533 12.479 -52.525 1.00 0.52 C ATOM 1531 O PRO A 97 12.159 13.537 -52.553 1.00 0.54 O ATOM 1532 CB PRO A 97 12.139 10.894 -50.679 1.00 0.53 C ATOM 1533 CG PRO A 97 11.355 9.794 -50.053 1.00 0.72 C ATOM 1534 CD PRO A 97 10.096 9.681 -50.859 1.00 0.51 C ATOM 0 HA PRO A 97 10.927 12.735 -50.543 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.766 10.521 -51.489 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.802 11.368 -49.955 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.914 8.858 -50.067 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.133 10.017 -49.009 1.00 0.72 H new ATOM 0 HD2 PRO A 97 10.212 8.990 -51.694 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.263 9.317 -50.257 1.00 0.51 H new ATOM 1542 N LEU A 98 11.204 11.802 -53.617 1.00 0.60 N ATOM 1543 CA LEU A 98 11.543 12.285 -54.949 1.00 0.71 C ATOM 1544 C LEU A 98 10.885 13.643 -55.196 1.00 0.66 C ATOM 1545 O LEU A 98 11.546 14.606 -55.578 1.00 0.71 O ATOM 1546 CB LEU A 98 11.086 11.272 -56.005 1.00 0.88 C ATOM 1547 CG LEU A 98 12.088 10.993 -57.131 1.00 1.34 C ATOM 1548 CD1 LEU A 98 12.400 12.259 -57.914 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.363 10.384 -56.565 1.00 1.78 C ATOM 0 H LEU A 98 10.701 10.914 -53.606 1.00 0.60 H new ATOM 0 HA LEU A 98 12.624 12.402 -55.021 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.857 10.331 -55.505 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.158 11.631 -56.449 1.00 0.88 H new ATOM 0 HG LEU A 98 11.636 10.279 -57.819 1.00 1.34 H new ATOM 0 HD11 LEU A 98 13.113 12.031 -58.706 1.00 2.08 H new ATOM 0 HD12 LEU A 98 11.483 12.650 -58.354 1.00 2.08 H new ATOM 0 HD13 LEU A 98 12.828 13.005 -57.244 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.065 10.191 -57.376 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.812 11.076 -55.853 1.00 1.78 H new ATOM 0 HD23 LEU A 98 13.126 9.448 -56.060 1.00 1.78 H new ATOM 1561 N GLU A 99 9.583 13.709 -54.952 1.00 0.65 N ATOM 1562 CA GLU A 99 8.829 14.946 -55.104 1.00 0.72 C ATOM 1563 C GLU A 99 9.289 15.984 -54.089 1.00 0.64 C ATOM 1564 O GLU A 99 9.481 17.153 -54.424 1.00 0.71 O ATOM 1565 CB GLU A 99 7.327 14.685 -54.930 1.00 0.88 C ATOM 1566 CG GLU A 99 6.660 14.006 -56.122 1.00 1.19 C ATOM 1567 CD GLU A 99 7.327 12.707 -56.525 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.629 11.886 -55.635 1.00 2.44 O ATOM 1569 OE2 GLU A 99 7.567 12.511 -57.736 1.00 2.69 O ATOM 0 H GLU A 99 9.023 12.913 -54.645 1.00 0.65 H new ATOM 0 HA GLU A 99 9.010 15.330 -56.108 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.179 14.065 -54.046 1.00 0.88 H new ATOM 0 HB3 GLU A 99 6.826 15.634 -54.742 1.00 0.88 H new ATOM 0 HG2 GLU A 99 5.615 13.810 -55.881 1.00 1.19 H new ATOM 0 HG3 GLU A 99 6.669 14.689 -56.971 1.00 1.19 H new ATOM 1576 N TYR A 100 9.480 15.545 -52.850 1.00 0.57 N ATOM 1577 CA TYR A 100 9.906 16.434 -51.776 1.00 0.63 C ATOM 1578 C TYR A 100 11.249 17.083 -52.105 1.00 0.66 C ATOM 1579 O TYR A 100 11.471 18.256 -51.806 1.00 0.76 O ATOM 1580 CB TYR A 100 9.998 15.671 -50.453 1.00 0.67 C ATOM 1581 CG TYR A 100 10.430 16.530 -49.285 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.619 17.556 -48.817 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.651 16.318 -48.653 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.010 18.347 -47.755 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.047 17.106 -47.587 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.224 18.118 -47.144 1.00 1.24 C ATOM 1587 OH TYR A 100 11.618 18.906 -46.085 1.00 1.46 O ATOM 0 H TYR A 100 9.346 14.575 -52.564 1.00 0.57 H new ATOM 0 HA TYR A 100 9.160 17.222 -51.675 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.026 15.231 -50.229 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.703 14.847 -50.567 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.666 17.738 -49.292 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.299 15.527 -49.000 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.368 19.141 -47.405 1.00 1.17 H new ATOM 0 HE2 TYR A 100 12.997 16.929 -47.104 1.00 1.15 H new ATOM 0 HH TYR A 100 11.088 18.678 -45.293 1.00 1.46 H new ATOM 1597 N ASP A 101 12.131 16.314 -52.738 1.00 0.66 N ATOM 1598 CA ASP A 101 13.448 16.803 -53.145 1.00 0.78 C ATOM 1599 C ASP A 101 13.308 18.015 -54.066 1.00 0.81 C ATOM 1600 O ASP A 101 14.125 18.939 -54.038 1.00 0.93 O ATOM 1601 CB ASP A 101 14.215 15.686 -53.861 1.00 0.88 C ATOM 1602 CG ASP A 101 15.645 16.059 -54.199 1.00 1.07 C ATOM 1603 OD1 ASP A 101 15.883 16.609 -55.297 1.00 1.14 O ATOM 1604 OD2 ASP A 101 16.543 15.771 -53.381 1.00 1.23 O ATOM 0 H ASP A 101 11.956 15.339 -52.983 1.00 0.66 H new ATOM 0 HA ASP A 101 14.000 17.107 -52.256 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.218 14.796 -53.231 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.689 15.425 -54.779 1.00 0.88 H new ATOM 1609 N LYS A 102 12.260 17.996 -54.880 1.00 0.75 N ATOM 1610 CA LYS A 102 11.952 19.110 -55.765 1.00 0.84 C ATOM 1611 C LYS A 102 11.269 20.233 -54.991 1.00 0.89 C ATOM 1612 O LYS A 102 11.620 21.404 -55.147 1.00 1.05 O ATOM 1613 CB LYS A 102 11.052 18.666 -56.931 1.00 0.88 C ATOM 1614 CG LYS A 102 11.800 18.255 -58.200 1.00 1.03 C ATOM 1615 CD LYS A 102 12.166 16.774 -58.233 1.00 1.09 C ATOM 1616 CE LYS A 102 13.320 16.435 -57.301 1.00 1.86 C ATOM 1617 NZ LYS A 102 14.563 17.171 -57.646 1.00 2.66 N ATOM 0 H LYS A 102 11.606 17.216 -54.945 1.00 0.75 H new ATOM 0 HA LYS A 102 12.894 19.474 -56.175 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.440 17.827 -56.600 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.371 19.481 -57.176 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.184 18.489 -59.068 1.00 1.03 H new ATOM 0 HG3 LYS A 102 12.710 18.849 -58.285 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.294 16.182 -57.956 1.00 1.09 H new ATOM 0 HD3 LYS A 102 12.432 16.492 -59.252 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.035 16.669 -56.275 1.00 1.86 H new ATOM 0 HE3 LYS A 102 13.513 15.363 -57.341 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 15.332 16.868 -57.015 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 14.824 16.968 -58.632 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 14.404 18.193 -57.533 1.00 2.66 H new ATOM 1631 N LEU A 103 10.303 19.862 -54.154 1.00 0.83 N ATOM 1632 CA LEU A 103 9.495 20.824 -53.402 1.00 0.97 C ATOM 1633 C LEU A 103 10.351 21.688 -52.479 1.00 1.12 C ATOM 1634 O LEU A 103 10.169 22.904 -52.410 1.00 1.31 O ATOM 1635 CB LEU A 103 8.428 20.095 -52.581 1.00 0.98 C ATOM 1636 CG LEU A 103 7.437 19.260 -53.393 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.430 18.586 -52.476 1.00 1.01 C ATOM 1638 CD2 LEU A 103 6.723 20.122 -54.424 1.00 1.00 C ATOM 0 H LEU A 103 10.057 18.888 -53.977 1.00 0.83 H new ATOM 0 HA LEU A 103 9.014 21.480 -54.128 1.00 0.97 H new ATOM 0 HB2 LEU A 103 8.927 19.442 -51.865 1.00 0.98 H new ATOM 0 HB3 LEU A 103 7.870 20.833 -52.004 1.00 0.98 H new ATOM 0 HG LEU A 103 7.996 18.487 -53.921 1.00 0.91 H new ATOM 0 HD11 LEU A 103 5.733 17.996 -53.072 1.00 1.01 H new ATOM 0 HD12 LEU A 103 6.954 17.933 -51.778 1.00 1.01 H new ATOM 0 HD13 LEU A 103 5.880 19.345 -51.920 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.023 19.507 -54.990 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.179 20.919 -53.918 1.00 1.00 H new ATOM 0 HD23 LEU A 103 7.455 20.558 -55.104 1.00 1.00 H new ATOM 1650 N LYS A 104 11.283 21.054 -51.777 1.00 1.09 N ATOM 1651 CA LYS A 104 12.159 21.759 -50.845 1.00 1.27 C ATOM 1652 C LYS A 104 13.043 22.770 -51.578 1.00 1.37 C ATOM 1653 O LYS A 104 13.437 23.792 -51.017 1.00 1.56 O ATOM 1654 CB LYS A 104 13.044 20.760 -50.095 1.00 1.32 C ATOM 1655 CG LYS A 104 13.950 19.965 -51.017 1.00 1.07 C ATOM 1656 CD LYS A 104 14.992 19.172 -50.253 1.00 1.22 C ATOM 1657 CE LYS A 104 16.304 19.136 -51.015 1.00 1.45 C ATOM 1658 NZ LYS A 104 17.112 20.366 -50.785 1.00 1.84 N ATOM 0 H LYS A 104 11.453 20.050 -51.835 1.00 1.09 H new ATOM 0 HA LYS A 104 11.530 22.296 -50.135 1.00 1.27 H new ATOM 0 HB2 LYS A 104 13.654 21.297 -49.369 1.00 1.32 H new ATOM 0 HB3 LYS A 104 12.412 20.072 -49.534 1.00 1.32 H new ATOM 0 HG2 LYS A 104 13.347 19.284 -51.618 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.448 20.645 -51.708 1.00 1.07 H new ATOM 0 HD2 LYS A 104 15.148 19.619 -49.271 1.00 1.22 H new ATOM 0 HD3 LYS A 104 14.634 18.156 -50.088 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.878 18.262 -50.709 1.00 1.45 H new ATOM 0 HE3 LYS A 104 16.102 19.028 -52.081 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 18.000 20.303 -51.322 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 16.574 21.199 -51.101 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 17.326 20.456 -49.771 1.00 1.84 H new ATOM 1672 N SER A 105 13.359 22.472 -52.831 1.00 1.32 N ATOM 1673 CA SER A 105 14.223 23.328 -53.623 1.00 1.51 C ATOM 1674 C SER A 105 13.411 24.464 -54.232 1.00 1.66 C ATOM 1675 O SER A 105 13.776 25.637 -54.125 1.00 1.77 O ATOM 1676 CB SER A 105 14.910 22.509 -54.719 1.00 1.59 C ATOM 1677 OG SER A 105 15.896 23.265 -55.393 1.00 2.05 O ATOM 0 H SER A 105 13.027 21.640 -53.320 1.00 1.32 H new ATOM 0 HA SER A 105 14.991 23.756 -52.979 1.00 1.51 H new ATOM 0 HB2 SER A 105 15.368 21.623 -54.279 1.00 1.59 H new ATOM 0 HB3 SER A 105 14.165 22.161 -55.435 1.00 1.59 H new ATOM 0 HG SER A 105 16.316 22.712 -56.085 1.00 2.05 H new ATOM 1683 N LYS A 106 12.294 24.105 -54.847 1.00 1.79 N ATOM 1684 CA LYS A 106 11.408 25.088 -55.468 1.00 2.10 C ATOM 1685 C LYS A 106 9.969 24.590 -55.512 1.00 2.28 C ATOM 1686 O LYS A 106 9.035 25.328 -55.207 1.00 2.61 O ATOM 1687 CB LYS A 106 11.873 25.443 -56.888 1.00 2.43 C ATOM 1688 CG LYS A 106 12.163 24.252 -57.796 1.00 2.59 C ATOM 1689 CD LYS A 106 13.656 24.017 -57.955 1.00 2.88 C ATOM 1690 CE LYS A 106 13.952 22.938 -58.988 1.00 3.39 C ATOM 1691 NZ LYS A 106 13.451 23.300 -60.343 1.00 4.02 N ATOM 0 H LYS A 106 11.976 23.139 -54.931 1.00 1.79 H new ATOM 0 HA LYS A 106 11.450 25.985 -54.851 1.00 2.10 H new ATOM 0 HB2 LYS A 106 11.108 26.060 -57.359 1.00 2.43 H new ATOM 0 HB3 LYS A 106 12.774 26.052 -56.816 1.00 2.43 H new ATOM 0 HG2 LYS A 106 11.696 23.358 -57.384 1.00 2.59 H new ATOM 0 HG3 LYS A 106 11.715 24.423 -58.775 1.00 2.59 H new ATOM 0 HD2 LYS A 106 14.141 24.947 -58.252 1.00 2.88 H new ATOM 0 HD3 LYS A 106 14.083 23.728 -56.995 1.00 2.88 H new ATOM 0 HE2 LYS A 106 15.028 22.768 -59.034 1.00 3.39 H new ATOM 0 HE3 LYS A 106 13.494 22.001 -58.672 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 14.049 22.850 -61.066 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 12.471 22.970 -60.450 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 13.484 24.333 -60.461 1.00 4.02 H new ATOM 1705 N GLY A 107 9.804 23.339 -55.894 1.00 2.51 N ATOM 1706 CA GLY A 107 8.476 22.776 -56.048 1.00 2.97 C ATOM 1707 C GLY A 107 7.994 22.891 -57.475 1.00 3.39 C ATOM 1708 O GLY A 107 6.793 22.971 -57.735 1.00 3.92 O ATOM 0 H GLY A 107 10.568 22.696 -56.103 1.00 2.51 H new ATOM 0 HA2 GLY A 107 8.486 21.728 -55.748 1.00 2.97 H new ATOM 0 HA3 GLY A 107 7.781 23.291 -55.384 1.00 2.97 H new ATOM 1712 N SER A 108 8.945 22.901 -58.398 1.00 3.41 N ATOM 1713 CA SER A 108 8.652 23.075 -59.805 1.00 4.00 C ATOM 1714 C SER A 108 9.719 22.365 -60.633 1.00 4.47 C ATOM 1715 O SER A 108 10.842 22.905 -60.754 1.00 4.98 O ATOM 1716 CB SER A 108 8.609 24.570 -60.138 1.00 4.21 C ATOM 1717 OG SER A 108 8.016 24.809 -61.403 1.00 4.39 O ATOM 1718 OXT SER A 108 9.444 21.259 -61.139 1.00 4.69 O ATOM 0 H SER A 108 9.937 22.789 -58.189 1.00 3.41 H new ATOM 0 HA SER A 108 7.680 22.641 -60.041 1.00 4.00 H new ATOM 0 HB2 SER A 108 8.048 25.098 -59.367 1.00 4.21 H new ATOM 0 HB3 SER A 108 9.621 24.974 -60.129 1.00 4.21 H new ATOM 0 HG SER A 108 8.004 25.772 -61.582 1.00 4.39 H new TER 1724 SER A 108