USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 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 74 ASN : amide:sc= 0.74 K(o=2.9,f=0.18) USER MOD Set 1.2: A 78 THR OG1 : rot -35:sc= 2.17 USER MOD Set 2.1: A 70 LYS NZ :NH3+ 139:sc= 1.1 (180deg=0.252) USER MOD Set 2.2: A 72 THR OG1 : rot 180:sc= 0.916 USER MOD Set 3.1: A 19 TYR OH : rot 178:sc= 1.24 USER MOD Set 3.2: A 104 ASN : amide:sc= 1.09 K(o=2.3,f=-1.7) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.162 (180deg=-0.374) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.666 K(o=-0.67,f=-3.5) USER MOD Single : A 4 HIS : no HD1:sc=-0.00743 X(o=-0.0074,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.036) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 148:sc= 2.12 (180deg=-0.0547!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0642 USER MOD Single : A 17 HIS : no HD1:sc= -0.564 X(o=-0.56,f=-0.083) USER MOD Single : A 18 SER OG : rot 152:sc= 0.0843 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0507 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-5e-05) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.382 USER MOD Single : A 83 TYR OH : rot 16:sc= 1.3 USER MOD Single : A 90 ASN : amide:sc= 0.494 K(o=0.49,f=-3!) USER MOD Single : A 91 TYR OH : rot -176:sc= 1.2 USER MOD Single : A 92 ASN : amide:sc= 0.501 K(o=0.5,f=-0.12) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= 0.165 X(o=0.17,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.098) USER MOD Single : A 111 CYS SG : rot -148:sc= 0.802 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.880 -11.103 -10.426 1.00 0.00 N ATOM 2 CA MET A 1 -17.689 -10.272 -10.601 1.00 0.00 C ATOM 3 C MET A 1 -17.812 -9.501 -11.898 1.00 0.00 C ATOM 4 O MET A 1 -17.642 -10.052 -12.988 1.00 0.00 O ATOM 5 CB MET A 1 -16.451 -11.168 -10.604 1.00 0.00 C ATOM 6 CG MET A 1 -15.207 -10.382 -10.984 1.00 0.00 C ATOM 7 SD MET A 1 -14.939 -8.875 -10.002 1.00 0.00 S ATOM 8 CE MET A 1 -14.379 -9.657 -8.473 1.00 0.00 C ATOM 0 H1 MET A 1 -18.803 -11.636 -9.537 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.725 -10.497 -10.395 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.960 -11.767 -11.222 1.00 0.00 H new ATOM 0 HA MET A 1 -17.595 -9.558 -9.783 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.317 -11.612 -9.617 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.594 -11.989 -11.306 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.337 -11.030 -10.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.273 -10.108 -12.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.364 -8.919 -7.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.059 -10.467 -8.208 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.376 -10.058 -8.616 1.00 0.00 H new ATOM 20 N HIS A 2 -17.835 -8.172 -11.748 1.00 0.00 N ATOM 21 CA HIS A 2 -17.819 -7.194 -12.820 1.00 0.00 C ATOM 22 C HIS A 2 -16.415 -6.840 -13.243 1.00 0.00 C ATOM 23 O HIS A 2 -16.235 -5.962 -14.086 1.00 0.00 O ATOM 24 CB HIS A 2 -18.629 -5.987 -12.367 1.00 0.00 C ATOM 25 CG HIS A 2 -19.990 -6.366 -11.892 1.00 0.00 C ATOM 26 ND1 HIS A 2 -21.140 -6.453 -12.674 1.00 0.00 N ATOM 27 CD2 HIS A 2 -20.429 -6.404 -10.586 1.00 0.00 C ATOM 28 CE1 HIS A 2 -22.211 -6.578 -11.876 1.00 0.00 C ATOM 29 NE2 HIS A 2 -21.813 -6.554 -10.601 1.00 0.00 N ATOM 0 H HIS A 2 -17.867 -7.737 -10.826 1.00 0.00 H new ATOM 0 HA HIS A 2 -18.278 -7.613 -13.715 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.096 -5.475 -11.566 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.718 -5.281 -13.193 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -19.808 -6.330 -9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -23.232 -6.682 -12.211 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -22.417 -6.632 -9.783 1.00 0.00 H new ATOM 37 N HIS A 3 -15.325 -7.430 -12.751 1.00 0.00 N ATOM 38 CA HIS A 3 -13.994 -7.137 -13.232 1.00 0.00 C ATOM 39 C HIS A 3 -13.575 -8.003 -14.414 1.00 0.00 C ATOM 40 O HIS A 3 -13.737 -9.222 -14.305 1.00 0.00 O ATOM 41 CB HIS A 3 -12.972 -7.088 -12.085 1.00 0.00 C ATOM 42 CG HIS A 3 -11.591 -6.617 -12.406 1.00 0.00 C ATOM 43 ND1 HIS A 3 -10.915 -5.577 -11.792 1.00 0.00 N ATOM 44 CD2 HIS A 3 -10.696 -7.238 -13.258 1.00 0.00 C ATOM 45 CE1 HIS A 3 -9.609 -5.658 -12.110 1.00 0.00 C ATOM 46 NE2 HIS A 3 -9.454 -6.641 -13.004 1.00 0.00 N ATOM 0 H HIS A 3 -15.351 -8.125 -12.005 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.020 -6.129 -13.646 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.374 -6.442 -11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.895 -8.089 -11.661 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.337 -4.865 -11.196 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.910 -8.021 -13.971 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.821 -5.036 -11.711 1.00 0.00 H new ATOM 54 N HIS A 4 -13.164 -7.481 -15.577 1.00 0.00 N ATOM 55 CA HIS A 4 -12.964 -8.147 -16.840 1.00 0.00 C ATOM 56 C HIS A 4 -12.314 -7.304 -17.917 1.00 0.00 C ATOM 57 O HIS A 4 -12.777 -6.211 -18.250 1.00 0.00 O ATOM 58 CB HIS A 4 -14.376 -8.411 -17.365 1.00 0.00 C ATOM 59 CG HIS A 4 -14.490 -9.337 -18.556 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.690 -10.454 -18.701 1.00 0.00 N ATOM 61 CD2 HIS A 4 -15.553 -9.480 -19.404 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.190 -11.115 -19.757 1.00 0.00 C ATOM 63 NE2 HIS A 4 -15.342 -10.611 -20.192 1.00 0.00 N ATOM 0 H HIS A 4 -12.947 -6.487 -15.648 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.320 -9.008 -16.658 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.971 -8.826 -16.551 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.825 -7.454 -17.632 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -16.412 -8.827 -19.455 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.706 -11.969 -20.208 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.938 -10.972 -20.937 1.00 0.00 H new ATOM 71 N HIS A 5 -11.275 -7.804 -18.597 1.00 0.00 N ATOM 72 CA HIS A 5 -10.457 -7.248 -19.641 1.00 0.00 C ATOM 73 C HIS A 5 -11.029 -7.727 -20.974 1.00 0.00 C ATOM 74 O HIS A 5 -10.717 -8.809 -21.469 1.00 0.00 O ATOM 75 CB HIS A 5 -8.961 -7.570 -19.505 1.00 0.00 C ATOM 76 CG HIS A 5 -8.135 -6.828 -18.485 1.00 0.00 C ATOM 77 ND1 HIS A 5 -7.692 -5.533 -18.647 1.00 0.00 N ATOM 78 CD2 HIS A 5 -7.450 -7.376 -17.435 1.00 0.00 C ATOM 79 CE1 HIS A 5 -6.812 -5.284 -17.667 1.00 0.00 C ATOM 80 NE2 HIS A 5 -6.683 -6.340 -16.863 1.00 0.00 N ATOM 0 H HIS A 5 -10.957 -8.749 -18.381 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.493 -6.161 -19.572 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.874 -8.634 -19.285 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.501 -7.407 -20.480 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.489 -8.404 -17.107 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.279 -4.353 -17.545 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.137 -6.389 -16.003 1.00 0.00 H new ATOM 88 N HIS A 6 -11.983 -6.953 -21.490 1.00 0.00 N ATOM 89 CA HIS A 6 -12.704 -7.181 -22.727 1.00 0.00 C ATOM 90 C HIS A 6 -12.660 -6.039 -23.721 1.00 0.00 C ATOM 91 O HIS A 6 -13.113 -6.109 -24.859 1.00 0.00 O ATOM 92 CB HIS A 6 -14.165 -7.523 -22.399 1.00 0.00 C ATOM 93 CG HIS A 6 -14.911 -8.372 -23.383 1.00 0.00 C ATOM 94 ND1 HIS A 6 -15.994 -8.031 -24.173 1.00 0.00 N ATOM 95 CD2 HIS A 6 -14.860 -9.743 -23.539 1.00 0.00 C ATOM 96 CE1 HIS A 6 -16.538 -9.148 -24.715 1.00 0.00 C ATOM 97 NE2 HIS A 6 -15.857 -10.240 -24.358 1.00 0.00 N ATOM 0 H HIS A 6 -12.286 -6.099 -21.021 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.194 -8.008 -23.220 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.184 -8.030 -21.434 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -14.711 -6.588 -22.279 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -14.114 -10.366 -23.068 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.409 -9.154 -25.353 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -16.031 -11.209 -24.626 1.00 0.00 H new ATOM 105 N HIS A 7 -11.944 -4.970 -23.329 1.00 0.00 N ATOM 106 CA HIS A 7 -11.879 -3.709 -24.026 1.00 0.00 C ATOM 107 C HIS A 7 -10.430 -3.230 -24.037 1.00 0.00 C ATOM 108 O HIS A 7 -9.762 -3.576 -23.059 1.00 0.00 O ATOM 109 CB HIS A 7 -12.707 -2.626 -23.338 1.00 0.00 C ATOM 110 CG HIS A 7 -14.172 -2.992 -23.288 1.00 0.00 C ATOM 111 ND1 HIS A 7 -15.006 -3.069 -24.400 1.00 0.00 N ATOM 112 CD2 HIS A 7 -14.860 -3.513 -22.225 1.00 0.00 C ATOM 113 CE1 HIS A 7 -16.197 -3.454 -23.919 1.00 0.00 C ATOM 114 NE2 HIS A 7 -16.201 -3.637 -22.591 1.00 0.00 N ATOM 0 H HIS A 7 -11.378 -4.980 -22.481 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.271 -3.870 -25.030 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.335 -2.472 -22.325 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.585 -1.682 -23.869 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.438 -3.782 -21.268 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.068 -3.602 -24.541 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.001 -3.824 -21.986 1.00 0.00 H new ATOM 122 N ALA A 8 -9.916 -2.421 -24.962 1.00 0.00 N ATOM 123 CA ALA A 8 -8.570 -1.903 -24.994 1.00 0.00 C ATOM 124 C ALA A 8 -8.308 -0.577 -24.296 1.00 0.00 C ATOM 125 O ALA A 8 -7.285 -0.506 -23.602 1.00 0.00 O ATOM 126 CB ALA A 8 -8.076 -1.819 -26.435 1.00 0.00 C ATOM 0 H ALA A 8 -10.472 -2.096 -25.753 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.012 -2.628 -24.402 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.059 -1.427 -26.449 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.088 -2.813 -26.882 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.728 -1.157 -27.005 1.00 0.00 H new ATOM 132 N SER A 9 -9.283 0.318 -24.172 1.00 0.00 N ATOM 133 CA SER A 9 -9.353 1.495 -23.321 1.00 0.00 C ATOM 134 C SER A 9 -9.847 1.195 -21.916 1.00 0.00 C ATOM 135 O SER A 9 -10.753 0.346 -21.825 1.00 0.00 O ATOM 136 CB SER A 9 -10.311 2.564 -23.822 1.00 0.00 C ATOM 137 OG SER A 9 -9.981 2.740 -25.181 1.00 0.00 O ATOM 0 H SER A 9 -10.134 0.223 -24.727 1.00 0.00 H new ATOM 0 HA SER A 9 -8.319 1.841 -23.332 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.348 2.251 -23.705 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.193 3.493 -23.264 1.00 0.00 H new ATOM 0 HG SER A 9 -10.566 3.421 -25.574 1.00 0.00 H new ATOM 143 N LYS A 10 -9.390 1.970 -20.930 1.00 0.00 N ATOM 144 CA LYS A 10 -9.962 1.895 -19.602 1.00 0.00 C ATOM 145 C LYS A 10 -10.602 3.158 -19.041 1.00 0.00 C ATOM 146 O LYS A 10 -10.127 4.235 -19.399 1.00 0.00 O ATOM 147 CB LYS A 10 -8.912 1.295 -18.679 1.00 0.00 C ATOM 148 CG LYS A 10 -8.402 -0.115 -18.943 1.00 0.00 C ATOM 149 CD LYS A 10 -7.417 -0.548 -17.858 1.00 0.00 C ATOM 150 CE LYS A 10 -6.129 0.279 -17.735 1.00 0.00 C ATOM 151 NZ LYS A 10 -5.318 -0.305 -16.662 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.634 2.647 -21.033 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.839 1.253 -19.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.050 1.962 -18.688 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.318 1.312 -17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.241 -0.810 -18.977 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.916 -0.154 -19.918 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.933 -0.522 -16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.140 -1.586 -18.043 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.579 0.271 -18.676 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.364 1.320 -17.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.309 -0.176 -16.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.541 0.167 -15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.528 -1.320 -16.581 1.00 0.00 H new ATOM 165 N PRO A 11 -11.590 3.095 -18.148 1.00 0.00 N ATOM 166 CA PRO A 11 -11.707 4.110 -17.115 1.00 0.00 C ATOM 167 C PRO A 11 -10.605 3.998 -16.067 1.00 0.00 C ATOM 168 O PRO A 11 -9.849 3.029 -16.076 1.00 0.00 O ATOM 169 CB PRO A 11 -13.169 3.895 -16.735 1.00 0.00 C ATOM 170 CG PRO A 11 -13.678 2.523 -17.170 1.00 0.00 C ATOM 171 CD PRO A 11 -12.570 2.020 -18.086 1.00 0.00 C ATOM 0 HA PRO A 11 -11.530 5.154 -17.373 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.282 3.998 -15.656 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.781 4.671 -17.195 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.829 1.860 -16.318 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.632 2.594 -17.692 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.124 1.106 -17.695 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.958 1.786 -19.078 1.00 0.00 H new ATOM 179 N ALA A 12 -10.396 5.027 -15.241 1.00 0.00 N ATOM 180 CA ALA A 12 -9.264 5.256 -14.371 1.00 0.00 C ATOM 181 C ALA A 12 -9.653 5.424 -12.912 1.00 0.00 C ATOM 182 O ALA A 12 -10.772 5.890 -12.694 1.00 0.00 O ATOM 183 CB ALA A 12 -8.428 6.464 -14.759 1.00 0.00 C ATOM 0 H ALA A 12 -11.080 5.780 -15.166 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.671 4.350 -14.496 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.598 6.571 -14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.038 6.328 -15.768 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.047 7.360 -14.727 1.00 0.00 H new ATOM 189 N PRO A 13 -8.796 5.140 -11.917 1.00 0.00 N ATOM 190 CA PRO A 13 -8.990 5.536 -10.542 1.00 0.00 C ATOM 191 C PRO A 13 -8.998 7.039 -10.271 1.00 0.00 C ATOM 192 O PRO A 13 -8.402 7.785 -11.042 1.00 0.00 O ATOM 193 CB PRO A 13 -7.945 4.832 -9.696 1.00 0.00 C ATOM 194 CG PRO A 13 -7.263 3.780 -10.564 1.00 0.00 C ATOM 195 CD PRO A 13 -7.709 4.189 -11.970 1.00 0.00 C ATOM 0 HA PRO A 13 -10.002 5.232 -10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.214 5.548 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.410 4.366 -8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.179 3.804 -10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.586 2.770 -10.311 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.868 4.624 -12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.022 3.306 -12.527 1.00 0.00 H new ATOM 203 N SER A 14 -9.662 7.505 -9.215 1.00 0.00 N ATOM 204 CA SER A 14 -9.740 8.890 -8.797 1.00 0.00 C ATOM 205 C SER A 14 -9.224 8.933 -7.371 1.00 0.00 C ATOM 206 O SER A 14 -9.259 7.893 -6.707 1.00 0.00 O ATOM 207 CB SER A 14 -11.112 9.539 -8.954 1.00 0.00 C ATOM 208 OG SER A 14 -11.203 10.812 -8.351 1.00 0.00 O ATOM 0 H SER A 14 -10.187 6.885 -8.598 1.00 0.00 H new ATOM 0 HA SER A 14 -9.128 9.499 -9.462 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.343 9.631 -10.015 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.867 8.884 -8.519 1.00 0.00 H new ATOM 0 HG SER A 14 -12.103 11.175 -8.487 1.00 0.00 H new ATOM 214 N ALA A 15 -8.638 10.066 -6.967 1.00 0.00 N ATOM 215 CA ALA A 15 -8.389 10.457 -5.592 1.00 0.00 C ATOM 216 C ALA A 15 -9.608 10.374 -4.676 1.00 0.00 C ATOM 217 O ALA A 15 -9.510 9.900 -3.543 1.00 0.00 O ATOM 218 CB ALA A 15 -7.576 11.743 -5.675 1.00 0.00 C ATOM 0 H ALA A 15 -8.311 10.766 -7.633 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.786 9.738 -5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.351 12.097 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.645 11.551 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.149 12.502 -6.207 1.00 0.00 H new ATOM 224 N GLU A 16 -10.755 10.742 -5.245 1.00 0.00 N ATOM 225 CA GLU A 16 -12.062 10.572 -4.658 1.00 0.00 C ATOM 226 C GLU A 16 -12.321 9.096 -4.367 1.00 0.00 C ATOM 227 O GLU A 16 -13.027 8.796 -3.404 1.00 0.00 O ATOM 228 CB GLU A 16 -13.177 11.133 -5.543 1.00 0.00 C ATOM 229 CG GLU A 16 -13.220 12.656 -5.608 1.00 0.00 C ATOM 230 CD GLU A 16 -14.450 13.204 -6.326 1.00 0.00 C ATOM 231 OE1 GLU A 16 -14.260 13.763 -7.427 1.00 0.00 O ATOM 232 OE2 GLU A 16 -15.571 13.148 -5.777 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.789 11.183 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.071 11.138 -3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.055 10.741 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.136 10.770 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.194 13.055 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.324 13.015 -6.115 1.00 0.00 H new ATOM 239 N HIS A 17 -11.718 8.207 -5.152 1.00 0.00 N ATOM 240 CA HIS A 17 -12.062 6.838 -5.489 1.00 0.00 C ATOM 241 C HIS A 17 -10.862 5.899 -5.419 1.00 0.00 C ATOM 242 O HIS A 17 -10.974 4.807 -5.975 1.00 0.00 O ATOM 243 CB HIS A 17 -12.829 6.816 -6.807 1.00 0.00 C ATOM 244 CG HIS A 17 -14.203 7.435 -6.709 1.00 0.00 C ATOM 245 ND1 HIS A 17 -15.246 7.057 -5.882 1.00 0.00 N ATOM 246 CD2 HIS A 17 -14.631 8.547 -7.394 1.00 0.00 C ATOM 247 CE1 HIS A 17 -16.188 8.007 -5.903 1.00 0.00 C ATOM 248 NE2 HIS A 17 -15.863 8.889 -6.855 1.00 0.00 N ATOM 0 H HIS A 17 -10.857 8.474 -5.630 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.734 6.434 -4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.252 7.347 -7.564 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.926 5.785 -7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.111 9.054 -8.193 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -17.057 8.054 -5.264 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.431 9.687 -7.140 1.00 0.00 H new ATOM 256 N SER A 18 -9.832 6.203 -4.638 1.00 0.00 N ATOM 257 CA SER A 18 -8.773 5.279 -4.281 1.00 0.00 C ATOM 258 C SER A 18 -8.133 5.447 -2.918 1.00 0.00 C ATOM 259 O SER A 18 -7.738 6.528 -2.481 1.00 0.00 O ATOM 260 CB SER A 18 -7.761 5.259 -5.429 1.00 0.00 C ATOM 261 OG SER A 18 -6.653 4.425 -5.171 1.00 0.00 O ATOM 0 H SER A 18 -9.711 7.128 -4.226 1.00 0.00 H new ATOM 0 HA SER A 18 -9.242 4.303 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.258 4.923 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.410 6.274 -5.614 1.00 0.00 H new ATOM 0 HG SER A 18 -6.290 4.092 -6.018 1.00 0.00 H new ATOM 267 N TYR A 19 -8.268 4.355 -2.164 1.00 0.00 N ATOM 268 CA TYR A 19 -8.139 4.281 -0.723 1.00 0.00 C ATOM 269 C TYR A 19 -7.556 2.968 -0.225 1.00 0.00 C ATOM 270 O TYR A 19 -7.699 2.039 -1.014 1.00 0.00 O ATOM 271 CB TYR A 19 -9.431 4.681 -0.010 1.00 0.00 C ATOM 272 CG TYR A 19 -9.743 6.160 -0.005 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.763 6.806 -0.717 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.072 6.863 1.009 1.00 0.00 C ATOM 275 CE1 TYR A 19 -11.036 8.163 -0.536 1.00 0.00 C ATOM 276 CE2 TYR A 19 -9.315 8.238 1.143 1.00 0.00 C ATOM 277 CZ TYR A 19 -10.271 8.912 0.374 1.00 0.00 C ATOM 278 OH TYR A 19 -10.351 10.280 0.450 1.00 0.00 O ATOM 0 H TYR A 19 -8.483 3.447 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.393 5.027 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.262 4.154 -0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.377 4.336 1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.352 6.240 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.385 6.357 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.832 8.635 -1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.742 8.798 1.867 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.769 10.602 1.170 1.00 0.00 H new ATOM 288 N ALA A 20 -6.709 2.879 0.811 1.00 0.00 N ATOM 289 CA ALA A 20 -6.053 1.649 1.190 1.00 0.00 C ATOM 290 C ALA A 20 -6.206 1.128 2.615 1.00 0.00 C ATOM 291 O ALA A 20 -6.271 1.972 3.505 1.00 0.00 O ATOM 292 CB ALA A 20 -4.542 1.763 0.980 1.00 0.00 C ATOM 0 H ALA A 20 -6.468 3.672 1.405 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.576 0.944 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.063 0.828 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.335 1.966 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.150 2.576 1.591 1.00 0.00 H new ATOM 298 N GLU A 21 -6.348 -0.174 2.857 1.00 0.00 N ATOM 299 CA GLU A 21 -6.556 -0.711 4.192 1.00 0.00 C ATOM 300 C GLU A 21 -5.711 -1.954 4.451 1.00 0.00 C ATOM 301 O GLU A 21 -5.441 -2.687 3.510 1.00 0.00 O ATOM 302 CB GLU A 21 -7.988 -1.154 4.483 1.00 0.00 C ATOM 303 CG GLU A 21 -8.539 -2.114 3.440 1.00 0.00 C ATOM 304 CD GLU A 21 -10.007 -2.504 3.489 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.813 -1.957 4.273 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.415 -3.285 2.606 1.00 0.00 O1- ATOM 0 H GLU A 21 -6.321 -0.885 2.127 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.281 0.129 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.022 -1.632 5.462 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.631 -0.275 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.349 -1.677 2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.954 -3.032 3.498 1.00 0.00 H new ATOM 313 N GLY A 22 -5.268 -2.178 5.692 1.00 0.00 N ATOM 314 CA GLY A 22 -4.685 -3.415 6.164 1.00 0.00 C ATOM 315 C GLY A 22 -3.576 -3.240 7.201 1.00 0.00 C ATOM 316 O GLY A 22 -3.186 -2.128 7.555 1.00 0.00 O ATOM 0 H GLY A 22 -5.313 -1.464 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.474 -4.032 6.595 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.284 -3.961 5.310 1.00 0.00 H new ATOM 320 N GLU A 23 -3.086 -4.368 7.713 1.00 0.00 N ATOM 321 CA GLU A 23 -2.004 -4.434 8.670 1.00 0.00 C ATOM 322 C GLU A 23 -0.746 -3.738 8.175 1.00 0.00 C ATOM 323 O GLU A 23 -0.095 -3.173 9.055 1.00 0.00 O ATOM 324 CB GLU A 23 -1.762 -5.874 9.093 1.00 0.00 C ATOM 325 CG GLU A 23 -1.056 -5.850 10.449 1.00 0.00 C ATOM 326 CD GLU A 23 -0.948 -7.287 10.940 1.00 0.00 C ATOM 327 OE1 GLU A 23 -2.035 -7.855 11.155 1.00 0.00 O ATOM 328 OE2 GLU A 23 0.125 -7.938 10.982 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.449 -5.287 7.459 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.303 -3.878 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.705 -6.415 9.163 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.151 -6.392 8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.067 -5.402 10.357 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.616 -5.244 11.161 1.00 0.00 H new ATOM 335 N GLY A 24 -0.368 -3.726 6.900 1.00 0.00 N ATOM 336 CA GLY A 24 0.640 -2.867 6.299 1.00 0.00 C ATOM 337 C GLY A 24 0.411 -1.375 6.432 1.00 0.00 C ATOM 338 O GLY A 24 1.339 -0.628 6.141 1.00 0.00 O ATOM 0 H GLY A 24 -0.786 -4.358 6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.605 -3.107 6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.710 -3.110 5.239 1.00 0.00 H new ATOM 342 N LEU A 25 -0.698 -0.906 7.020 1.00 0.00 N ATOM 343 CA LEU A 25 -0.807 0.443 7.526 1.00 0.00 C ATOM 344 C LEU A 25 -0.830 0.463 9.044 1.00 0.00 C ATOM 345 O LEU A 25 -1.300 1.458 9.594 1.00 0.00 O ATOM 346 CB LEU A 25 -1.809 1.348 6.818 1.00 0.00 C ATOM 347 CG LEU A 25 -1.672 1.339 5.295 1.00 0.00 C ATOM 348 CD1 LEU A 25 -2.866 2.068 4.707 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.371 2.022 4.903 1.00 0.00 C ATOM 0 H LEU A 25 -1.541 -1.465 7.152 1.00 0.00 H new ATOM 0 HA LEU A 25 0.116 0.948 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.819 1.037 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.683 2.368 7.180 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.649 0.319 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.789 2.074 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.784 1.561 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.883 3.094 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.270 2.017 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.378 3.051 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.469 1.488 5.348 1.00 0.00 H new ATOM 361 N VAL A 26 -0.210 -0.478 9.770 1.00 0.00 N ATOM 362 CA VAL A 26 -0.280 -0.544 11.210 1.00 0.00 C ATOM 363 C VAL A 26 0.948 -1.143 11.876 1.00 0.00 C ATOM 364 O VAL A 26 1.492 -0.589 12.825 1.00 0.00 O ATOM 365 CB VAL A 26 -1.464 -1.376 11.684 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.558 -1.558 13.204 1.00 0.00 C ATOM 367 CG2 VAL A 26 -2.800 -0.854 11.150 1.00 0.00 C ATOM 0 H VAL A 26 0.357 -1.217 9.355 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.372 0.503 11.500 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.263 -2.360 11.260 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.432 -2.163 13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.660 -2.057 13.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.649 -0.583 13.682 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.610 -1.484 11.518 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.953 0.170 11.490 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.790 -0.876 10.060 1.00 0.00 H new ATOM 377 N LYS A 27 1.564 -2.213 11.392 1.00 0.00 N ATOM 378 CA LYS A 27 2.733 -2.881 11.943 1.00 0.00 C ATOM 379 C LYS A 27 3.564 -3.570 10.872 1.00 0.00 C ATOM 380 O LYS A 27 2.993 -4.317 10.070 1.00 0.00 O ATOM 381 CB LYS A 27 2.514 -3.721 13.196 1.00 0.00 C ATOM 382 CG LYS A 27 1.456 -4.808 13.075 1.00 0.00 C ATOM 383 CD LYS A 27 1.543 -5.723 14.300 1.00 0.00 C ATOM 384 CE LYS A 27 0.356 -6.674 14.316 1.00 0.00 C ATOM 385 NZ LYS A 27 0.684 -7.741 15.284 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.235 -2.669 10.541 1.00 0.00 H new ATOM 0 HA LYS A 27 3.335 -2.062 12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.460 -4.187 13.471 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.237 -3.057 14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.464 -4.362 13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.610 -5.384 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.474 -6.289 14.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.555 -5.126 15.212 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.555 -6.152 14.609 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.180 -7.091 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.102 -8.421 15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.549 -8.232 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.836 -7.322 16.224 1.00 0.00 H new ATOM 399 N VAL A 28 4.880 -3.371 10.840 1.00 0.00 N ATOM 400 CA VAL A 28 5.741 -3.734 9.732 1.00 0.00 C ATOM 401 C VAL A 28 7.041 -4.199 10.359 1.00 0.00 C ATOM 402 O VAL A 28 7.424 -3.581 11.354 1.00 0.00 O ATOM 403 CB VAL A 28 6.001 -2.563 8.785 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.797 -2.896 7.517 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.664 -1.927 8.418 1.00 0.00 C ATOM 0 H VAL A 28 5.386 -2.938 11.613 1.00 0.00 H new ATOM 0 HA VAL A 28 5.269 -4.507 9.125 1.00 0.00 H new ATOM 0 HB VAL A 28 6.644 -1.873 9.331 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.923 -1.993 6.919 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.776 -3.287 7.794 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.259 -3.644 6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.833 -1.089 7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.032 -2.667 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.171 -1.570 9.322 1.00 0.00 H new ATOM 415 N PHE A 29 7.701 -5.239 9.843 1.00 0.00 N ATOM 416 CA PHE A 29 8.819 -5.882 10.499 1.00 0.00 C ATOM 417 C PHE A 29 9.986 -6.195 9.580 1.00 0.00 C ATOM 418 O PHE A 29 9.895 -6.057 8.356 1.00 0.00 O ATOM 419 CB PHE A 29 8.282 -7.098 11.245 1.00 0.00 C ATOM 420 CG PHE A 29 7.194 -6.805 12.255 1.00 0.00 C ATOM 421 CD1 PHE A 29 7.518 -6.547 13.596 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.884 -7.027 11.824 1.00 0.00 C ATOM 423 CE1 PHE A 29 6.482 -6.479 14.544 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.856 -6.999 12.780 1.00 0.00 C ATOM 425 CZ PHE A 29 5.191 -6.780 14.113 1.00 0.00 C ATOM 0 H PHE A 29 7.462 -5.657 8.944 1.00 0.00 H new ATOM 0 HA PHE A 29 9.263 -5.184 11.209 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.896 -7.811 10.516 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.111 -7.585 11.759 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.546 -6.403 13.895 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.668 -7.215 10.783 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.679 -6.203 15.569 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.827 -7.144 12.487 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.408 -6.847 14.854 1.00 0.00 H new ATOM 435 N ASP A 30 11.110 -6.643 10.143 1.00 0.00 N ATOM 436 CA ASP A 30 12.325 -6.838 9.381 1.00 0.00 C ATOM 437 C ASP A 30 12.304 -8.127 8.569 1.00 0.00 C ATOM 438 O ASP A 30 12.470 -8.146 7.353 1.00 0.00 O ATOM 439 CB ASP A 30 13.556 -6.806 10.282 1.00 0.00 C ATOM 440 CG ASP A 30 14.900 -6.704 9.568 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.985 -6.820 10.182 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.885 -6.613 8.321 1.00 0.00 O1- ATOM 0 H ASP A 30 11.194 -6.876 11.132 1.00 0.00 H new ATOM 0 HA ASP A 30 12.381 -6.007 8.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.463 -5.960 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.559 -7.708 10.894 1.00 0.00 H new ATOM 447 N ASN A 31 11.985 -9.270 9.186 1.00 0.00 N ATOM 448 CA ASN A 31 11.919 -10.600 8.617 1.00 0.00 C ATOM 449 C ASN A 31 10.477 -11.043 8.388 1.00 0.00 C ATOM 450 O ASN A 31 10.285 -12.186 7.979 1.00 0.00 O ATOM 451 CB ASN A 31 12.570 -11.509 9.667 1.00 0.00 C ATOM 452 CG ASN A 31 14.043 -11.164 9.830 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.848 -11.465 8.954 1.00 0.00 O ATOM 454 ND2 ASN A 31 14.490 -10.617 10.956 1.00 0.00 N ATOM 0 H ASN A 31 11.749 -9.278 10.178 1.00 0.00 H new ATOM 0 HA ASN A 31 12.416 -10.637 7.647 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.056 -11.398 10.622 1.00 0.00 H new ATOM 0 HB3 ASN A 31 12.465 -12.552 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.489 -10.453 11.082 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.834 -10.361 11.694 1.00 0.00 H new ATOM 461 N ALA A 32 9.520 -10.130 8.556 1.00 0.00 N ATOM 462 CA ALA A 32 8.139 -10.358 8.191 1.00 0.00 C ATOM 463 C ALA A 32 7.737 -9.090 7.443 1.00 0.00 C ATOM 464 O ALA A 32 7.353 -8.107 8.070 1.00 0.00 O ATOM 465 CB ALA A 32 7.336 -10.689 9.436 1.00 0.00 C ATOM 0 H ALA A 32 9.692 -9.207 8.953 1.00 0.00 H new ATOM 0 HA ALA A 32 7.958 -11.216 7.543 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.295 -10.861 9.162 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.742 -11.587 9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.394 -9.857 10.138 1.00 0.00 H new ATOM 471 N PRO A 33 7.696 -9.151 6.110 1.00 0.00 N ATOM 472 CA PRO A 33 6.941 -8.193 5.324 1.00 0.00 C ATOM 473 C PRO A 33 5.457 -8.179 5.711 1.00 0.00 C ATOM 474 O PRO A 33 4.766 -9.171 5.927 1.00 0.00 O ATOM 475 CB PRO A 33 7.136 -8.640 3.884 1.00 0.00 C ATOM 476 CG PRO A 33 8.284 -9.648 3.890 1.00 0.00 C ATOM 477 CD PRO A 33 8.252 -10.222 5.301 1.00 0.00 C ATOM 0 HA PRO A 33 7.286 -7.172 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.225 -9.093 3.492 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.370 -7.790 3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.140 -10.424 3.138 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.239 -9.169 3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.636 -11.120 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.250 -10.500 5.640 1.00 0.00 H new ATOM 485 N ALA A 34 4.896 -6.990 5.934 1.00 0.00 N ATOM 486 CA ALA A 34 3.480 -6.692 6.024 1.00 0.00 C ATOM 487 C ALA A 34 2.829 -6.423 4.676 1.00 0.00 C ATOM 488 O ALA A 34 3.498 -5.942 3.759 1.00 0.00 O ATOM 489 CB ALA A 34 3.363 -5.469 6.923 1.00 0.00 C ATOM 0 H ALA A 34 5.467 -6.155 6.065 1.00 0.00 H new ATOM 0 HA ALA A 34 2.953 -7.558 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.313 -5.195 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.780 -5.697 7.904 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.912 -4.638 6.480 1.00 0.00 H new ATOM 495 N GLU A 35 1.497 -6.513 4.688 1.00 0.00 N ATOM 496 CA GLU A 35 0.707 -6.320 3.490 1.00 0.00 C ATOM 497 C GLU A 35 -0.467 -5.391 3.769 1.00 0.00 C ATOM 498 O GLU A 35 -1.012 -5.323 4.870 1.00 0.00 O ATOM 499 CB GLU A 35 0.102 -7.547 2.817 1.00 0.00 C ATOM 500 CG GLU A 35 1.139 -8.590 2.396 1.00 0.00 C ATOM 501 CD GLU A 35 0.506 -9.804 1.750 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.159 -9.818 0.537 1.00 0.00 O ATOM 503 OE2 GLU A 35 0.178 -10.747 2.508 1.00 0.00 O1- ATOM 0 H GLU A 35 0.949 -6.720 5.523 1.00 0.00 H new ATOM 0 HA GLU A 35 1.456 -5.925 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.611 -8.011 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.459 -7.229 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.844 -8.137 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.711 -8.903 3.269 1.00 0.00 H new ATOM 510 N PHE A 36 -1.000 -4.689 2.771 1.00 0.00 N ATOM 511 CA PHE A 36 -2.257 -3.965 2.781 1.00 0.00 C ATOM 512 C PHE A 36 -2.663 -3.840 1.320 1.00 0.00 C ATOM 513 O PHE A 36 -1.924 -4.354 0.488 1.00 0.00 O ATOM 514 CB PHE A 36 -2.130 -2.719 3.651 1.00 0.00 C ATOM 515 CG PHE A 36 -1.290 -1.645 2.994 1.00 0.00 C ATOM 516 CD1 PHE A 36 -1.918 -0.490 2.501 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.086 -1.859 2.812 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.186 0.382 1.689 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.835 -0.980 2.021 1.00 0.00 C ATOM 520 CZ PHE A 36 0.176 0.125 1.482 1.00 0.00 C ATOM 0 H PHE A 36 -0.525 -4.609 1.872 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.098 -4.458 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.123 -2.323 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.685 -2.990 4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.949 -0.279 2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.567 -2.703 3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.661 1.237 1.230 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.885 -1.151 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.743 0.816 0.876 1.00 0.00 H new ATOM 530 N THR A 37 -3.890 -3.357 1.119 1.00 0.00 N ATOM 531 CA THR A 37 -4.606 -3.455 -0.148 1.00 0.00 C ATOM 532 C THR A 37 -5.254 -2.152 -0.587 1.00 0.00 C ATOM 533 O THR A 37 -5.885 -1.471 0.224 1.00 0.00 O ATOM 534 CB THR A 37 -5.732 -4.480 -0.045 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.099 -5.696 0.290 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.380 -4.742 -1.404 1.00 0.00 C ATOM 0 H THR A 37 -4.421 -2.879 1.847 1.00 0.00 H new ATOM 0 HA THR A 37 -3.848 -3.740 -0.877 1.00 0.00 H new ATOM 0 HB THR A 37 -6.481 -4.125 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.772 -6.403 0.374 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.177 -5.477 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.795 -3.813 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.630 -5.123 -2.097 1.00 0.00 H new ATOM 544 N ILE A 38 -5.008 -1.780 -1.847 1.00 0.00 N ATOM 545 CA ILE A 38 -5.669 -0.672 -2.507 1.00 0.00 C ATOM 546 C ILE A 38 -6.995 -1.108 -3.102 1.00 0.00 C ATOM 547 O ILE A 38 -6.980 -1.812 -4.119 1.00 0.00 O ATOM 548 CB ILE A 38 -4.811 0.087 -3.507 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.444 0.437 -2.931 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.606 1.355 -3.817 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.362 0.923 -3.894 1.00 0.00 C ATOM 0 H ILE A 38 -4.329 -2.256 -2.440 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.863 0.059 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.611 -0.511 -4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.588 1.208 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.062 -0.446 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.055 1.963 -4.535 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.574 1.084 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.756 1.924 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.448 1.132 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.166 0.152 -4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.700 1.832 -4.392 1.00 0.00 H new ATOM 563 N PHE A 39 -8.107 -0.746 -2.454 1.00 0.00 N ATOM 564 CA PHE A 39 -9.447 -0.749 -2.980 1.00 0.00 C ATOM 565 C PHE A 39 -9.879 0.368 -3.920 1.00 0.00 C ATOM 566 O PHE A 39 -9.939 1.510 -3.473 1.00 0.00 O ATOM 567 CB PHE A 39 -10.320 -0.903 -1.741 1.00 0.00 C ATOM 568 CG PHE A 39 -10.244 0.184 -0.697 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.272 1.133 -0.668 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.360 0.065 0.377 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.318 2.004 0.438 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.526 0.873 1.506 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.512 1.861 1.568 1.00 0.00 C ATOM 0 H PHE A 39 -8.077 -0.425 -1.486 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.542 -1.562 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.357 -0.984 -2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.062 -1.848 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.001 1.195 -1.462 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.551 -0.649 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.016 2.828 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.873 0.729 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.643 2.480 2.443 1.00 0.00 H new ATOM 583 N ALA A 40 -10.062 0.146 -5.218 1.00 0.00 N ATOM 584 CA ALA A 40 -10.117 1.228 -6.173 1.00 0.00 C ATOM 585 C ALA A 40 -11.490 1.248 -6.842 1.00 0.00 C ATOM 586 O ALA A 40 -12.007 0.199 -7.209 1.00 0.00 O ATOM 587 CB ALA A 40 -8.915 1.141 -7.110 1.00 0.00 C ATOM 0 H ALA A 40 -10.174 -0.782 -5.626 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.027 2.203 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.956 1.957 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.995 1.215 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.934 0.188 -7.639 1.00 0.00 H new ATOM 593 N VAL A 41 -11.901 2.453 -7.230 1.00 0.00 N ATOM 594 CA VAL A 41 -13.115 2.724 -7.984 1.00 0.00 C ATOM 595 C VAL A 41 -12.730 3.757 -9.025 1.00 0.00 C ATOM 596 O VAL A 41 -11.681 4.395 -8.998 1.00 0.00 O ATOM 597 CB VAL A 41 -14.219 3.174 -7.027 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.388 3.915 -7.691 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.749 1.924 -6.338 1.00 0.00 C ATOM 0 H VAL A 41 -11.373 3.300 -7.017 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.521 1.849 -8.491 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.778 3.894 -6.337 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -16.120 4.194 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -15.016 4.813 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.859 3.265 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.542 2.200 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.145 1.237 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.940 1.439 -5.791 1.00 0.00 H new ATOM 609 N ASP A 42 -13.533 3.847 -10.087 1.00 0.00 N ATOM 610 CA ASP A 42 -13.423 4.916 -11.064 1.00 0.00 C ATOM 611 C ASP A 42 -14.027 6.246 -10.640 1.00 0.00 C ATOM 612 O ASP A 42 -13.350 7.235 -10.353 1.00 0.00 O ATOM 613 CB ASP A 42 -13.962 4.495 -12.426 1.00 0.00 C ATOM 614 CG ASP A 42 -15.373 3.912 -12.501 1.00 0.00 C ATOM 615 OD1 ASP A 42 -16.163 3.950 -11.527 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.728 3.499 -13.622 1.00 0.00 O1- ATOM 0 H ASP A 42 -14.276 3.178 -10.288 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.350 5.095 -11.139 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.928 5.366 -13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -13.275 3.757 -12.841 1.00 0.00 H new ATOM 621 N THR A 43 -15.333 6.177 -10.419 1.00 0.00 N ATOM 622 CA THR A 43 -16.359 7.207 -10.358 1.00 0.00 C ATOM 623 C THR A 43 -17.742 6.698 -9.953 1.00 0.00 C ATOM 624 O THR A 43 -18.354 7.453 -9.195 1.00 0.00 O ATOM 625 CB THR A 43 -16.544 8.107 -11.578 1.00 0.00 C ATOM 626 OG1 THR A 43 -16.642 7.388 -12.788 1.00 0.00 O ATOM 627 CG2 THR A 43 -15.416 9.102 -11.802 1.00 0.00 C ATOM 0 H THR A 43 -15.755 5.263 -10.255 1.00 0.00 H new ATOM 0 HA THR A 43 -15.921 7.823 -9.573 1.00 0.00 H new ATOM 0 HB THR A 43 -17.471 8.627 -11.337 1.00 0.00 H new ATOM 0 HG1 THR A 43 -16.761 8.015 -13.532 1.00 0.00 H new ATOM 0 HG21 THR A 43 -15.629 9.700 -12.688 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.331 9.757 -10.935 1.00 0.00 H new ATOM 0 HG23 THR A 43 -14.479 8.564 -11.944 1.00 0.00 H new ATOM 635 N LYS A 44 -18.207 5.506 -10.322 1.00 0.00 N ATOM 636 CA LYS A 44 -19.563 5.065 -10.104 1.00 0.00 C ATOM 637 C LYS A 44 -19.668 4.004 -9.012 1.00 0.00 C ATOM 638 O LYS A 44 -20.354 3.018 -9.250 1.00 0.00 O ATOM 639 CB LYS A 44 -20.157 4.565 -11.424 1.00 0.00 C ATOM 640 CG LYS A 44 -20.096 5.602 -12.547 1.00 0.00 C ATOM 641 CD LYS A 44 -20.947 5.093 -13.711 1.00 0.00 C ATOM 642 CE LYS A 44 -20.782 5.961 -14.953 1.00 0.00 C ATOM 643 NZ LYS A 44 -21.271 7.329 -14.789 1.00 0.00 N1+ ATOM 0 H LYS A 44 -17.628 4.810 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 44 -20.140 5.919 -9.749 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.623 3.668 -11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.196 4.277 -11.261 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.468 6.565 -12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.066 5.756 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.666 4.066 -13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.996 5.077 -13.415 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -19.727 5.993 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -21.311 5.494 -15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -21.126 7.858 -15.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -22.285 7.310 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.750 7.794 -14.018 1.00 0.00 H new ATOM 657 N GLY A 45 -18.935 4.132 -7.900 1.00 0.00 N ATOM 658 CA GLY A 45 -18.865 3.286 -6.724 1.00 0.00 C ATOM 659 C GLY A 45 -18.594 1.805 -6.831 1.00 0.00 C ATOM 660 O GLY A 45 -18.029 1.196 -5.920 1.00 0.00 O ATOM 0 H GLY A 45 -18.306 4.929 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.091 3.703 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -19.813 3.397 -6.197 1.00 0.00 H new ATOM 664 N VAL A 46 -18.890 1.107 -7.936 1.00 0.00 N ATOM 665 CA VAL A 46 -18.446 -0.240 -8.252 1.00 0.00 C ATOM 666 C VAL A 46 -16.933 -0.210 -8.401 1.00 0.00 C ATOM 667 O VAL A 46 -16.396 0.559 -9.191 1.00 0.00 O ATOM 668 CB VAL A 46 -19.154 -0.870 -9.437 1.00 0.00 C ATOM 669 CG1 VAL A 46 -19.092 -2.395 -9.385 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.641 -0.515 -9.429 1.00 0.00 C ATOM 0 H VAL A 46 -19.480 1.498 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.723 -0.900 -7.430 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.650 -0.490 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.610 -2.810 -10.250 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.051 -2.717 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.571 -2.748 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.130 -0.977 -10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.098 -0.882 -8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -20.757 0.567 -9.484 1.00 0.00 H new ATOM 680 N ALA A 47 -16.271 -1.082 -7.634 1.00 0.00 N ATOM 681 CA ALA A 47 -14.904 -1.508 -7.816 1.00 0.00 C ATOM 682 C ALA A 47 -14.369 -1.558 -9.245 1.00 0.00 C ATOM 683 O ALA A 47 -15.003 -2.239 -10.043 1.00 0.00 O ATOM 684 CB ALA A 47 -14.811 -2.874 -7.168 1.00 0.00 C ATOM 0 H ALA A 47 -16.710 -1.527 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.268 -0.748 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.796 -3.257 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.063 -2.793 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.507 -3.556 -7.656 1.00 0.00 H new ATOM 690 N ARG A 48 -13.226 -0.911 -9.516 1.00 0.00 N ATOM 691 CA ARG A 48 -12.682 -0.862 -10.862 1.00 0.00 C ATOM 692 C ARG A 48 -12.854 -2.084 -11.769 1.00 0.00 C ATOM 693 O ARG A 48 -12.402 -3.145 -11.351 1.00 0.00 O ATOM 694 CB ARG A 48 -11.218 -0.465 -10.817 1.00 0.00 C ATOM 695 CG ARG A 48 -10.815 0.994 -10.530 1.00 0.00 C ATOM 696 CD ARG A 48 -11.069 1.771 -11.815 1.00 0.00 C ATOM 697 NE ARG A 48 -10.063 1.432 -12.825 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.228 0.825 -14.010 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.448 0.434 -14.453 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.274 0.309 -14.789 1.00 0.00 N ATOM 0 H ARG A 48 -12.669 -0.419 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.311 -0.112 -11.341 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.739 -1.087 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.781 -0.737 -11.778 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.400 1.404 -9.706 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.767 1.057 -10.239 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.065 1.543 -12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.043 2.841 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.104 1.694 -12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.276 0.599 -13.880 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.538 -0.025 -15.359 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.298 0.355 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.522 -0.131 -15.675 1.00 0.00 H new ATOM 714 N THR A 49 -13.480 -1.950 -12.942 1.00 0.00 N ATOM 715 CA THR A 49 -14.034 -3.010 -13.753 1.00 0.00 C ATOM 716 C THR A 49 -12.952 -3.734 -14.544 1.00 0.00 C ATOM 717 O THR A 49 -13.329 -4.619 -15.314 1.00 0.00 O ATOM 718 CB THR A 49 -15.033 -2.453 -14.765 1.00 0.00 C ATOM 719 OG1 THR A 49 -14.491 -1.274 -15.348 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.286 -2.071 -13.992 1.00 0.00 C ATOM 0 H THR A 49 -13.616 -1.033 -13.368 1.00 0.00 H new ATOM 0 HA THR A 49 -14.521 -3.701 -13.065 1.00 0.00 H new ATOM 0 HB THR A 49 -15.249 -3.185 -15.544 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.125 -0.910 -16.001 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.029 -1.667 -14.680 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.692 -2.954 -13.497 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.037 -1.318 -13.244 1.00 0.00 H new ATOM 728 N ASP A 50 -11.691 -3.301 -14.451 1.00 0.00 N ATOM 729 CA ASP A 50 -10.509 -3.858 -15.079 1.00 0.00 C ATOM 730 C ASP A 50 -9.268 -3.332 -14.367 1.00 0.00 C ATOM 731 O ASP A 50 -9.375 -2.451 -13.508 1.00 0.00 O ATOM 732 CB ASP A 50 -10.499 -3.746 -16.601 1.00 0.00 C ATOM 733 CG ASP A 50 -10.764 -2.342 -17.148 1.00 0.00 C ATOM 734 OD1 ASP A 50 -11.000 -2.281 -18.371 1.00 0.00 O ATOM 735 OD2 ASP A 50 -10.715 -1.320 -16.428 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.462 -2.484 -13.885 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.516 -4.940 -14.948 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.531 -4.086 -16.969 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.250 -4.425 -17.005 1.00 0.00 H new ATOM 740 N GLY A 51 -8.107 -3.905 -14.664 1.00 0.00 N ATOM 741 CA GLY A 51 -6.977 -3.765 -13.760 1.00 0.00 C ATOM 742 C GLY A 51 -5.774 -3.175 -14.482 1.00 0.00 C ATOM 743 O GLY A 51 -5.909 -2.472 -15.477 1.00 0.00 O ATOM 0 H GLY A 51 -7.927 -4.457 -15.503 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.253 -3.125 -12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.716 -4.738 -13.345 1.00 0.00 H new ATOM 747 N GLY A 52 -4.602 -3.453 -13.902 1.00 0.00 N ATOM 748 CA GLY A 52 -3.317 -3.031 -14.425 1.00 0.00 C ATOM 749 C GLY A 52 -3.267 -1.508 -14.475 1.00 0.00 C ATOM 750 O GLY A 52 -2.704 -0.942 -15.404 1.00 0.00 O ATOM 0 H GLY A 52 -4.528 -3.990 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.513 -3.412 -13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.164 -3.444 -15.422 1.00 0.00 H new ATOM 754 N ASP A 53 -3.779 -0.804 -13.455 1.00 0.00 N ATOM 755 CA ASP A 53 -3.712 0.630 -13.266 1.00 0.00 C ATOM 756 C ASP A 53 -2.328 0.982 -12.739 1.00 0.00 C ATOM 757 O ASP A 53 -1.615 0.056 -12.346 1.00 0.00 O ATOM 758 CB ASP A 53 -4.859 1.217 -12.457 1.00 0.00 C ATOM 759 CG ASP A 53 -6.232 0.949 -13.064 1.00 0.00 C ATOM 760 OD1 ASP A 53 -7.241 1.090 -12.338 1.00 0.00 O ATOM 761 OD2 ASP A 53 -6.322 0.796 -14.297 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.282 -1.264 -12.696 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.853 1.113 -14.233 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.830 0.805 -11.448 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.715 2.294 -12.366 1.00 0.00 H new ATOM 766 N PRO A 54 -1.784 2.197 -12.896 1.00 0.00 N ATOM 767 CA PRO A 54 -0.405 2.525 -12.619 1.00 0.00 C ATOM 768 C PRO A 54 -0.075 3.034 -11.220 1.00 0.00 C ATOM 769 O PRO A 54 0.356 4.168 -11.041 1.00 0.00 O ATOM 770 CB PRO A 54 -0.127 3.534 -13.727 1.00 0.00 C ATOM 771 CG PRO A 54 -1.427 4.338 -13.853 1.00 0.00 C ATOM 772 CD PRO A 54 -2.476 3.267 -13.582 1.00 0.00 C ATOM 0 HA PRO A 54 0.234 1.642 -12.618 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.715 4.179 -13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.123 3.036 -14.663 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.477 5.153 -13.131 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.540 4.782 -14.842 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.288 3.662 -12.971 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.920 2.912 -14.512 1.00 0.00 H new ATOM 780 N PHE A 55 -0.275 2.242 -10.163 1.00 0.00 N ATOM 781 CA PHE A 55 0.116 2.543 -8.802 1.00 0.00 C ATOM 782 C PHE A 55 1.587 2.566 -8.394 1.00 0.00 C ATOM 783 O PHE A 55 2.377 1.784 -8.905 1.00 0.00 O ATOM 784 CB PHE A 55 -0.669 1.666 -7.836 1.00 0.00 C ATOM 785 CG PHE A 55 -2.146 2.005 -7.779 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.630 2.859 -6.788 1.00 0.00 C ATOM 787 CD2 PHE A 55 -3.027 1.231 -8.542 1.00 0.00 C ATOM 788 CE1 PHE A 55 -4.024 2.987 -6.688 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.414 1.394 -8.433 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.926 2.381 -7.574 1.00 0.00 C ATOM 0 H PHE A 55 -0.735 1.336 -10.247 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.129 3.604 -8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.554 0.622 -8.129 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.242 1.765 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.964 3.396 -6.129 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.631 0.495 -9.227 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.424 3.586 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.083 0.767 -9.004 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.969 2.661 -7.595 1.00 0.00 H new ATOM 800 N GLU A 56 1.916 3.405 -7.409 1.00 0.00 N ATOM 801 CA GLU A 56 3.163 3.454 -6.684 1.00 0.00 C ATOM 802 C GLU A 56 3.000 3.959 -5.261 1.00 0.00 C ATOM 803 O GLU A 56 2.303 4.934 -4.977 1.00 0.00 O ATOM 804 CB GLU A 56 4.167 4.372 -7.376 1.00 0.00 C ATOM 805 CG GLU A 56 5.563 4.439 -6.765 1.00 0.00 C ATOM 806 CD GLU A 56 6.430 5.348 -7.631 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.665 4.970 -8.796 1.00 0.00 O ATOM 808 OE2 GLU A 56 6.916 6.364 -7.090 1.00 0.00 O1- ATOM 0 H GLU A 56 1.261 4.115 -7.082 1.00 0.00 H new ATOM 0 HA GLU A 56 3.522 2.425 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.264 4.051 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.753 5.380 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.512 4.823 -5.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.999 3.442 -6.708 1.00 0.00 H new ATOM 815 N VAL A 57 3.567 3.118 -4.400 1.00 0.00 N ATOM 816 CA VAL A 57 3.571 3.131 -2.944 1.00 0.00 C ATOM 817 C VAL A 57 5.025 3.369 -2.572 1.00 0.00 C ATOM 818 O VAL A 57 5.761 2.443 -2.262 1.00 0.00 O ATOM 819 CB VAL A 57 2.889 1.911 -2.351 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.854 2.121 -0.835 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.482 1.642 -2.883 1.00 0.00 C ATOM 0 H VAL A 57 4.096 2.319 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 57 2.963 3.921 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 57 3.459 1.029 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.371 1.267 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.872 2.218 -0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.294 3.028 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.075 0.752 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.841 2.497 -2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.524 1.485 -3.961 1.00 0.00 H new ATOM 831 N ALA A 58 5.471 4.628 -2.472 1.00 0.00 N ATOM 832 CA ALA A 58 6.806 5.055 -2.125 1.00 0.00 C ATOM 833 C ALA A 58 6.729 5.553 -0.688 1.00 0.00 C ATOM 834 O ALA A 58 5.807 6.238 -0.254 1.00 0.00 O ATOM 835 CB ALA A 58 7.267 6.172 -3.065 1.00 0.00 C ATOM 0 H ALA A 58 4.854 5.421 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 58 7.526 4.242 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.275 6.484 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.266 5.807 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.589 7.021 -2.981 1.00 0.00 H new ATOM 841 N ILE A 59 7.801 5.246 0.040 1.00 0.00 N ATOM 842 CA ILE A 59 7.988 5.390 1.472 1.00 0.00 C ATOM 843 C ILE A 59 9.289 6.084 1.847 1.00 0.00 C ATOM 844 O ILE A 59 10.257 6.037 1.077 1.00 0.00 O ATOM 845 CB ILE A 59 7.751 4.013 2.087 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.507 3.289 1.574 1.00 0.00 C ATOM 847 CG2 ILE A 59 7.753 4.037 3.607 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.224 1.886 2.100 1.00 0.00 C ATOM 0 H ILE A 59 8.633 4.855 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 59 7.263 6.082 1.900 1.00 0.00 H new ATOM 0 HB ILE A 59 8.609 3.434 1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.642 3.911 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.580 3.229 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.580 3.030 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.717 4.399 3.964 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.963 4.699 3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.310 1.504 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.056 1.228 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.103 1.921 3.183 1.00 0.00 H new ATOM 860 N ASN A 60 9.411 6.726 3.014 1.00 0.00 N ATOM 861 CA ASN A 60 10.549 7.358 3.644 1.00 0.00 C ATOM 862 C ASN A 60 10.740 6.769 5.037 1.00 0.00 C ATOM 863 O ASN A 60 9.876 6.840 5.901 1.00 0.00 O ATOM 864 CB ASN A 60 10.463 8.877 3.505 1.00 0.00 C ATOM 865 CG ASN A 60 10.559 9.383 2.075 1.00 0.00 C ATOM 866 OD1 ASN A 60 11.633 9.248 1.481 1.00 0.00 O ATOM 867 ND2 ASN A 60 9.545 10.061 1.549 1.00 0.00 N ATOM 0 H ASN A 60 8.590 6.820 3.612 1.00 0.00 H new ATOM 0 HA ASN A 60 11.488 7.135 3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.521 9.216 3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.262 9.329 4.092 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.641 10.489 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.671 10.154 2.066 1.00 0.00 H new ATOM 874 N GLY A 61 11.937 6.272 5.357 1.00 0.00 N ATOM 875 CA GLY A 61 12.362 5.909 6.698 1.00 0.00 C ATOM 876 C GLY A 61 13.564 6.727 7.168 1.00 0.00 C ATOM 877 O GLY A 61 14.016 7.583 6.411 1.00 0.00 O ATOM 0 H GLY A 61 12.660 6.107 4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.533 6.054 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.615 4.849 6.722 1.00 0.00 H new ATOM 881 N PRO A 62 14.086 6.468 8.365 1.00 0.00 N ATOM 882 CA PRO A 62 15.146 7.283 8.902 1.00 0.00 C ATOM 883 C PRO A 62 16.349 7.342 7.964 1.00 0.00 C ATOM 884 O PRO A 62 16.849 6.320 7.500 1.00 0.00 O ATOM 885 CB PRO A 62 15.638 6.632 10.196 1.00 0.00 C ATOM 886 CG PRO A 62 14.603 5.557 10.511 1.00 0.00 C ATOM 887 CD PRO A 62 13.556 5.590 9.400 1.00 0.00 C ATOM 0 HA PRO A 62 14.751 8.288 9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.631 6.200 10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.709 7.361 11.003 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.074 4.575 10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.140 5.743 11.480 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.375 4.590 9.006 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.603 5.962 9.775 1.00 0.00 H new ATOM 895 N ASP A 63 16.792 8.543 7.593 1.00 0.00 N ATOM 896 CA ASP A 63 17.986 8.812 6.817 1.00 0.00 C ATOM 897 C ASP A 63 17.877 8.201 5.417 1.00 0.00 C ATOM 898 O ASP A 63 16.980 8.573 4.663 1.00 0.00 O ATOM 899 CB ASP A 63 19.198 8.447 7.652 1.00 0.00 C ATOM 900 CG ASP A 63 19.364 9.261 8.935 1.00 0.00 C ATOM 901 OD1 ASP A 63 19.505 10.485 8.733 1.00 0.00 O ATOM 902 OD2 ASP A 63 19.534 8.728 10.052 1.00 0.00 O1- ATOM 0 H ASP A 63 16.294 9.397 7.844 1.00 0.00 H new ATOM 0 HA ASP A 63 18.109 9.872 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.136 7.391 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.092 8.571 7.042 1.00 0.00 H new ATOM 907 N GLY A 64 18.809 7.280 5.147 1.00 0.00 N ATOM 908 CA GLY A 64 19.007 6.849 3.786 1.00 0.00 C ATOM 909 C GLY A 64 17.915 5.936 3.249 1.00 0.00 C ATOM 910 O GLY A 64 17.926 5.581 2.067 1.00 0.00 O ATOM 0 H GLY A 64 19.414 6.838 5.839 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.075 7.729 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.963 6.330 3.718 1.00 0.00 H new ATOM 914 N LEU A 65 16.986 5.491 4.097 1.00 0.00 N ATOM 915 CA LEU A 65 15.882 4.686 3.620 1.00 0.00 C ATOM 916 C LEU A 65 14.741 5.363 2.879 1.00 0.00 C ATOM 917 O LEU A 65 13.686 5.773 3.349 1.00 0.00 O ATOM 918 CB LEU A 65 15.234 4.113 4.883 1.00 0.00 C ATOM 919 CG LEU A 65 16.074 3.160 5.719 1.00 0.00 C ATOM 920 CD1 LEU A 65 15.329 2.690 6.978 1.00 0.00 C ATOM 921 CD2 LEU A 65 16.434 1.935 4.883 1.00 0.00 C ATOM 0 H LEU A 65 16.983 5.675 5.100 1.00 0.00 H new ATOM 0 HA LEU A 65 16.329 4.005 2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.935 4.947 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.322 3.593 4.590 1.00 0.00 H new ATOM 0 HG LEU A 65 16.969 3.698 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.966 2.011 7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 65 15.077 3.553 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.415 2.172 6.688 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.036 1.251 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.522 1.431 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 65 17.002 2.247 4.006 1.00 0.00 H new ATOM 933 N VAL A 66 15.051 5.651 1.614 1.00 0.00 N ATOM 934 CA VAL A 66 14.119 5.560 0.509 1.00 0.00 C ATOM 935 C VAL A 66 13.689 4.119 0.319 1.00 0.00 C ATOM 936 O VAL A 66 14.509 3.203 0.161 1.00 0.00 O ATOM 937 CB VAL A 66 14.700 6.246 -0.728 1.00 0.00 C ATOM 938 CG1 VAL A 66 13.699 6.322 -1.877 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.179 7.676 -0.506 1.00 0.00 C ATOM 0 H VAL A 66 15.981 5.960 1.332 1.00 0.00 H new ATOM 0 HA VAL A 66 13.200 6.106 0.722 1.00 0.00 H new ATOM 0 HB VAL A 66 15.552 5.609 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.162 6.818 -2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.396 5.315 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.823 6.888 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.574 8.077 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.344 8.292 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.962 7.684 0.252 1.00 0.00 H new ATOM 949 N VAL A 67 12.376 3.993 0.210 1.00 0.00 N ATOM 950 CA VAL A 67 11.767 2.677 0.081 1.00 0.00 C ATOM 951 C VAL A 67 10.597 2.690 -0.876 1.00 0.00 C ATOM 952 O VAL A 67 9.884 3.685 -0.984 1.00 0.00 O ATOM 953 CB VAL A 67 11.283 2.124 1.415 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.553 0.777 1.404 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.372 2.039 2.478 1.00 0.00 C ATOM 0 H VAL A 67 11.719 4.773 0.208 1.00 0.00 H new ATOM 0 HA VAL A 67 12.556 2.033 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 67 10.543 2.885 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.268 0.509 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.659 0.853 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.212 0.009 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.951 1.636 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.171 1.386 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.774 3.034 2.668 1.00 0.00 H new ATOM 965 N ASP A 68 10.342 1.648 -1.671 1.00 0.00 N ATOM 966 CA ASP A 68 9.128 1.464 -2.433 1.00 0.00 C ATOM 967 C ASP A 68 8.505 0.101 -2.160 1.00 0.00 C ATOM 968 O ASP A 68 9.160 -0.941 -2.137 1.00 0.00 O ATOM 969 CB ASP A 68 9.230 1.868 -3.902 1.00 0.00 C ATOM 970 CG ASP A 68 10.465 1.355 -4.638 1.00 0.00 C ATOM 971 OD1 ASP A 68 11.556 1.907 -4.398 1.00 0.00 O ATOM 972 OD2 ASP A 68 10.433 0.275 -5.274 1.00 0.00 O1- ATOM 0 H ASP A 68 11.008 0.886 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 68 8.407 2.193 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.342 1.509 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.217 2.956 -3.964 1.00 0.00 H new ATOM 977 N ALA A 69 7.189 0.072 -1.946 1.00 0.00 N ATOM 978 CA ALA A 69 6.437 -1.139 -1.678 1.00 0.00 C ATOM 979 C ALA A 69 5.958 -1.781 -2.965 1.00 0.00 C ATOM 980 O ALA A 69 5.645 -1.205 -4.007 1.00 0.00 O ATOM 981 CB ALA A 69 5.354 -0.839 -0.639 1.00 0.00 C ATOM 0 H ALA A 69 6.610 0.912 -1.956 1.00 0.00 H new ATOM 0 HA ALA A 69 7.073 -1.903 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.785 -1.746 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.820 -0.487 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.684 -0.070 -1.024 1.00 0.00 H new ATOM 987 N LYS A 70 5.698 -3.086 -2.988 1.00 0.00 N ATOM 988 CA LYS A 70 5.425 -3.872 -4.173 1.00 0.00 C ATOM 989 C LYS A 70 3.929 -4.103 -4.349 1.00 0.00 C ATOM 990 O LYS A 70 3.367 -4.925 -3.627 1.00 0.00 O ATOM 991 CB LYS A 70 6.334 -5.090 -4.320 1.00 0.00 C ATOM 992 CG LYS A 70 6.448 -5.524 -5.774 1.00 0.00 C ATOM 993 CD LYS A 70 5.381 -6.462 -6.330 1.00 0.00 C ATOM 994 CE LYS A 70 5.398 -6.430 -7.861 1.00 0.00 C ATOM 995 NZ LYS A 70 4.302 -7.250 -8.394 1.00 0.00 N1+ ATOM 0 H LYS A 70 5.672 -3.645 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 70 5.710 -3.286 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.324 -4.856 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.942 -5.913 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.456 -4.625 -6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.417 -6.007 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.560 -7.478 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.398 -6.166 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.299 -5.403 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.354 -6.802 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.866 -6.763 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.676 -8.170 -8.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.587 -7.398 -7.653 1.00 0.00 H new ATOM 1009 N VAL A 71 3.369 -3.347 -5.304 1.00 0.00 N ATOM 1010 CA VAL A 71 2.016 -3.580 -5.760 1.00 0.00 C ATOM 1011 C VAL A 71 1.779 -4.756 -6.692 1.00 0.00 C ATOM 1012 O VAL A 71 2.563 -4.971 -7.617 1.00 0.00 O ATOM 1013 CB VAL A 71 1.581 -2.272 -6.417 1.00 0.00 C ATOM 1014 CG1 VAL A 71 0.175 -2.329 -7.013 1.00 0.00 C ATOM 1015 CG2 VAL A 71 1.734 -1.114 -5.435 1.00 0.00 C ATOM 0 H VAL A 71 3.843 -2.572 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 71 1.426 -3.871 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 71 2.245 -2.104 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.069 -1.367 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.134 -3.107 -7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.545 -2.554 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.421 -0.187 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.113 -1.296 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.777 -1.031 -5.130 1.00 0.00 H new ATOM 1025 N THR A 72 0.670 -5.440 -6.412 1.00 0.00 N ATOM 1026 CA THR A 72 0.231 -6.512 -7.286 1.00 0.00 C ATOM 1027 C THR A 72 -1.281 -6.560 -7.373 1.00 0.00 C ATOM 1028 O THR A 72 -1.983 -6.459 -6.359 1.00 0.00 O ATOM 1029 CB THR A 72 0.825 -7.835 -6.816 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.209 -7.762 -6.526 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.637 -8.985 -7.800 1.00 0.00 C ATOM 0 H THR A 72 0.074 -5.271 -5.602 1.00 0.00 H new ATOM 0 HA THR A 72 0.593 -6.322 -8.296 1.00 0.00 H new ATOM 0 HB THR A 72 0.260 -8.036 -5.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.528 -8.640 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.087 -9.890 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.427 -9.152 -7.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.117 -8.736 -8.747 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.867 -6.583 -8.576 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.273 -6.426 -8.874 1.00 0.00 C ATOM 1041 C ASP A 73 -4.013 -7.722 -8.608 1.00 0.00 C ATOM 1042 O ASP A 73 -3.605 -8.843 -8.898 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.356 -6.058 -10.358 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.739 -6.076 -10.993 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.762 -6.544 -10.452 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.861 -5.478 -12.076 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.317 -6.723 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.730 -5.658 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.937 -5.060 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.718 -6.744 -10.914 1.00 0.00 H new ATOM 1051 N ASN A 74 -5.187 -7.660 -7.967 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.950 -8.829 -7.578 1.00 0.00 C ATOM 1053 C ASN A 74 -7.083 -9.301 -8.493 1.00 0.00 C ATOM 1054 O ASN A 74 -7.627 -10.335 -8.118 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.315 -8.704 -6.098 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.316 -8.141 -5.106 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.158 -8.578 -5.051 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.789 -7.205 -4.280 1.00 0.00 N ATOM 0 H ASN A 74 -5.630 -6.779 -7.705 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.286 -9.681 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.211 -8.086 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.590 -9.699 -5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.187 -6.812 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.752 -6.883 -4.372 1.00 0.00 H new ATOM 1065 N ASN A 75 -7.294 -8.604 -9.614 1.00 0.00 N ATOM 1066 CA ASN A 75 -8.259 -8.935 -10.646 1.00 0.00 C ATOM 1067 C ASN A 75 -9.716 -8.777 -10.224 1.00 0.00 C ATOM 1068 O ASN A 75 -10.547 -9.576 -10.608 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.944 -10.299 -11.257 1.00 0.00 C ATOM 1070 CG ASN A 75 -6.479 -10.581 -11.555 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.903 -11.573 -11.118 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.869 -9.686 -12.335 1.00 0.00 N ATOM 0 H ASN A 75 -6.768 -7.757 -9.828 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.147 -8.186 -11.430 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.310 -11.070 -10.579 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.507 -10.397 -12.185 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.889 -9.814 -12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.383 -8.874 -12.678 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.980 -7.874 -9.270 1.00 0.00 N ATOM 1080 CA ASP A 76 -11.290 -7.658 -8.700 1.00 0.00 C ATOM 1081 C ASP A 76 -11.632 -6.176 -8.590 1.00 0.00 C ATOM 1082 O ASP A 76 -12.743 -5.889 -8.178 1.00 0.00 O ATOM 1083 CB ASP A 76 -11.388 -8.403 -7.362 1.00 0.00 C ATOM 1084 CG ASP A 76 -10.248 -8.030 -6.429 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.557 -6.997 -6.616 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.949 -8.757 -5.451 1.00 0.00 O1- ATOM 0 H ASP A 76 -9.263 -7.266 -8.873 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.045 -8.069 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.340 -8.171 -6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.375 -9.478 -7.542 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.692 -5.242 -8.846 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.746 -3.814 -8.617 1.00 0.00 C ATOM 1093 C GLY A 77 -9.802 -3.479 -7.458 1.00 0.00 C ATOM 1094 O GLY A 77 -9.861 -2.312 -7.104 1.00 0.00 O ATOM 0 H GLY A 77 -9.798 -5.512 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.451 -3.273 -9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.764 -3.505 -8.379 1.00 0.00 H new ATOM 1098 N THR A 78 -8.971 -4.324 -6.840 1.00 0.00 N ATOM 1099 CA THR A 78 -8.143 -4.068 -5.687 1.00 0.00 C ATOM 1100 C THR A 78 -6.698 -4.511 -5.928 1.00 0.00 C ATOM 1101 O THR A 78 -6.484 -5.323 -6.826 1.00 0.00 O ATOM 1102 CB THR A 78 -8.688 -4.680 -4.402 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.399 -6.066 -4.477 1.00 0.00 O ATOM 1104 CG2 THR A 78 -10.213 -4.664 -4.281 1.00 0.00 C ATOM 0 H THR A 78 -8.861 -5.282 -7.172 1.00 0.00 H new ATOM 0 HA THR A 78 -8.159 -2.987 -5.546 1.00 0.00 H new ATOM 0 HB THR A 78 -8.251 -4.112 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.472 -6.366 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.508 -5.120 -3.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.570 -3.635 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.649 -5.226 -5.106 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.696 -3.993 -5.206 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.291 -4.250 -5.424 1.00 0.00 C ATOM 1114 C TYR A 79 -3.582 -4.505 -4.099 1.00 0.00 C ATOM 1115 O TYR A 79 -3.556 -3.587 -3.277 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.646 -3.038 -6.098 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.189 -2.708 -7.463 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.349 -2.782 -8.578 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.527 -2.317 -7.612 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.848 -2.494 -9.849 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -6.088 -2.009 -8.860 1.00 0.00 C ATOM 1122 CZ TYR A 79 -5.212 -2.154 -9.953 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.588 -1.624 -11.157 1.00 0.00 O ATOM 0 H TYR A 79 -5.863 -3.359 -4.425 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.197 -5.131 -6.059 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.775 -2.170 -5.452 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.574 -3.215 -6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.313 -3.062 -8.456 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.150 -2.250 -6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.212 -2.530 -10.721 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.112 -1.686 -8.974 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.546 -1.420 -11.139 1.00 0.00 H new ATOM 1133 N GLY A 80 -3.102 -5.720 -3.868 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.185 -6.051 -2.792 1.00 0.00 C ATOM 1135 C GLY A 80 -0.819 -5.391 -2.838 1.00 0.00 C ATOM 1136 O GLY A 80 -0.230 -5.232 -3.908 1.00 0.00 O ATOM 0 H GLY A 80 -3.349 -6.525 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.659 -5.788 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.042 -7.132 -2.786 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.315 -4.905 -1.696 1.00 0.00 N ATOM 1141 CA VAL A 81 0.951 -4.222 -1.530 1.00 0.00 C ATOM 1142 C VAL A 81 1.756 -4.780 -0.364 1.00 0.00 C ATOM 1143 O VAL A 81 1.173 -4.844 0.717 1.00 0.00 O ATOM 1144 CB VAL A 81 0.727 -2.738 -1.255 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.039 -1.965 -1.380 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.294 -2.161 -2.225 1.00 0.00 C ATOM 0 H VAL A 81 -0.821 -4.990 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 81 1.501 -4.372 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 81 0.348 -2.639 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.859 -0.909 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.760 -2.353 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.435 -2.081 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.440 -1.102 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.067 -2.280 -3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.242 -2.688 -2.112 1.00 0.00 H new ATOM 1156 N VAL A 82 3.052 -5.054 -0.448 1.00 0.00 N ATOM 1157 CA VAL A 82 3.849 -5.663 0.602 1.00 0.00 C ATOM 1158 C VAL A 82 5.133 -4.885 0.788 1.00 0.00 C ATOM 1159 O VAL A 82 5.630 -4.275 -0.154 1.00 0.00 O ATOM 1160 CB VAL A 82 4.210 -7.058 0.079 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.955 -7.199 -1.237 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.986 -7.851 1.128 1.00 0.00 C ATOM 0 H VAL A 82 3.596 -4.848 -1.286 1.00 0.00 H new ATOM 0 HA VAL A 82 3.310 -5.687 1.549 1.00 0.00 H new ATOM 0 HB VAL A 82 3.214 -7.447 -0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.124 -8.255 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.363 -6.759 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.913 -6.684 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.230 -8.837 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.906 -7.322 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.377 -7.961 2.025 1.00 0.00 H new ATOM 1172 N TYR A 83 5.507 -4.776 2.070 1.00 0.00 N ATOM 1173 CA TYR A 83 6.797 -4.246 2.453 1.00 0.00 C ATOM 1174 C TYR A 83 7.192 -4.488 3.902 1.00 0.00 C ATOM 1175 O TYR A 83 6.418 -4.963 4.719 1.00 0.00 O ATOM 1176 CB TYR A 83 6.860 -2.728 2.212 1.00 0.00 C ATOM 1177 CG TYR A 83 5.961 -1.999 3.174 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.572 -2.175 3.306 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.583 -0.975 3.904 1.00 0.00 C ATOM 1180 CE1 TYR A 83 3.867 -1.366 4.200 1.00 0.00 C ATOM 1181 CE2 TYR A 83 5.877 -0.148 4.784 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.501 -0.341 4.938 1.00 0.00 C ATOM 1183 OH TYR A 83 3.732 0.546 5.639 1.00 0.00 O ATOM 0 H TYR A 83 4.920 -5.054 2.856 1.00 0.00 H new ATOM 0 HA TYR A 83 7.498 -4.793 1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.886 -2.378 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.562 -2.505 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.058 -2.925 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.645 -0.820 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.807 -1.528 4.331 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.387 0.628 5.336 1.00 0.00 H new ATOM 0 HH TYR A 83 2.824 0.189 5.732 1.00 0.00 H new ATOM 1193 N ASP A 84 8.454 -4.170 4.198 1.00 0.00 N ATOM 1194 CA ASP A 84 9.283 -4.641 5.290 1.00 0.00 C ATOM 1195 C ASP A 84 10.152 -3.503 5.810 1.00 0.00 C ATOM 1196 O ASP A 84 10.514 -2.584 5.082 1.00 0.00 O ATOM 1197 CB ASP A 84 9.996 -5.952 4.968 1.00 0.00 C ATOM 1198 CG ASP A 84 10.786 -5.837 3.679 1.00 0.00 C ATOM 1199 OD1 ASP A 84 11.090 -6.919 3.134 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.214 -4.742 3.225 1.00 0.00 O1- ATOM 0 H ASP A 84 8.965 -3.508 3.614 1.00 0.00 H new ATOM 0 HA ASP A 84 8.654 -4.929 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.665 -6.217 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.265 -6.756 4.881 1.00 0.00 H new ATOM 1205 N ALA A 85 10.318 -3.487 7.144 1.00 0.00 N ATOM 1206 CA ALA A 85 11.044 -2.454 7.862 1.00 0.00 C ATOM 1207 C ALA A 85 12.325 -2.957 8.499 1.00 0.00 C ATOM 1208 O ALA A 85 12.236 -3.909 9.276 1.00 0.00 O ATOM 1209 CB ALA A 85 10.192 -1.898 8.998 1.00 0.00 C ATOM 0 H ALA A 85 9.939 -4.211 7.755 1.00 0.00 H new ATOM 0 HA ALA A 85 11.282 -1.698 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.750 -1.125 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.276 -1.470 8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.940 -2.701 9.690 1.00 0.00 H new ATOM 1215 N PRO A 86 13.507 -2.388 8.271 1.00 0.00 N ATOM 1216 CA PRO A 86 14.741 -2.828 8.900 1.00 0.00 C ATOM 1217 C PRO A 86 14.940 -2.221 10.285 1.00 0.00 C ATOM 1218 O PRO A 86 15.925 -2.475 10.980 1.00 0.00 O ATOM 1219 CB PRO A 86 15.891 -2.491 7.953 1.00 0.00 C ATOM 1220 CG PRO A 86 15.332 -1.228 7.306 1.00 0.00 C ATOM 1221 CD PRO A 86 13.860 -1.572 7.127 1.00 0.00 C ATOM 0 HA PRO A 86 14.701 -3.904 9.069 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.827 -2.311 8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.081 -3.283 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.470 -0.352 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.817 -1.011 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.249 -0.670 7.086 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.694 -2.112 6.195 1.00 0.00 H new ATOM 1229 N VAL A 87 14.025 -1.372 10.754 1.00 0.00 N ATOM 1230 CA VAL A 87 14.311 -0.520 11.883 1.00 0.00 C ATOM 1231 C VAL A 87 13.262 -0.602 12.990 1.00 0.00 C ATOM 1232 O VAL A 87 12.083 -0.593 12.642 1.00 0.00 O ATOM 1233 CB VAL A 87 14.275 0.948 11.469 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.658 1.187 10.864 1.00 0.00 C ATOM 1235 CG2 VAL A 87 13.162 1.383 10.531 1.00 0.00 C ATOM 0 H VAL A 87 13.088 -1.264 10.365 1.00 0.00 H new ATOM 0 HA VAL A 87 15.285 -0.861 12.235 1.00 0.00 H new ATOM 0 HB VAL A 87 14.045 1.559 12.342 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.736 2.222 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.423 0.988 11.615 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.803 0.521 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.258 2.448 10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.231 0.822 9.599 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.196 1.191 10.999 1.00 0.00 H new ATOM 1245 N GLU A 88 13.648 -0.416 14.255 1.00 0.00 N ATOM 1246 CA GLU A 88 12.894 0.333 15.229 1.00 0.00 C ATOM 1247 C GLU A 88 12.797 1.781 14.781 1.00 0.00 C ATOM 1248 O GLU A 88 13.758 2.535 14.627 1.00 0.00 O ATOM 1249 CB GLU A 88 13.534 0.131 16.607 1.00 0.00 C ATOM 1250 CG GLU A 88 12.681 0.716 17.738 1.00 0.00 C ATOM 1251 CD GLU A 88 12.871 2.207 17.952 1.00 0.00 C ATOM 1252 OE1 GLU A 88 11.891 2.935 17.666 1.00 0.00 O ATOM 1253 OE2 GLU A 88 13.977 2.707 18.256 1.00 0.00 O1- ATOM 0 H GLU A 88 14.518 -0.797 14.627 1.00 0.00 H new ATOM 0 HA GLU A 88 11.866 -0.021 15.313 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.684 -0.934 16.782 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.519 0.598 16.619 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.630 0.522 17.523 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.919 0.194 18.665 1.00 0.00 H new ATOM 1260 N GLY A 89 11.588 2.206 14.415 1.00 0.00 N ATOM 1261 CA GLY A 89 11.349 3.517 13.824 1.00 0.00 C ATOM 1262 C GLY A 89 9.977 3.791 13.222 1.00 0.00 C ATOM 1263 O GLY A 89 9.074 3.019 13.506 1.00 0.00 O ATOM 0 H GLY A 89 10.743 1.645 14.522 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.532 4.268 14.592 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.093 3.672 13.043 1.00 0.00 H new ATOM 1267 N ASN A 90 9.795 4.806 12.376 1.00 0.00 N ATOM 1268 CA ASN A 90 8.573 5.167 11.681 1.00 0.00 C ATOM 1269 C ASN A 90 8.733 5.073 10.164 1.00 0.00 C ATOM 1270 O ASN A 90 9.683 5.607 9.605 1.00 0.00 O ATOM 1271 CB ASN A 90 8.234 6.597 12.079 1.00 0.00 C ATOM 1272 CG ASN A 90 7.060 7.017 11.206 1.00 0.00 C ATOM 1273 OD1 ASN A 90 5.970 6.469 11.286 1.00 0.00 O ATOM 1274 ND2 ASN A 90 7.107 8.113 10.452 1.00 0.00 N ATOM 0 H ASN A 90 10.560 5.441 12.146 1.00 0.00 H new ATOM 0 HA ASN A 90 7.777 4.476 11.958 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.973 6.655 13.136 1.00 0.00 H new ATOM 0 HB3 ASN A 90 9.088 7.256 11.925 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.264 8.447 9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.986 8.619 10.342 1.00 0.00 H new ATOM 1281 N TYR A 91 7.818 4.452 9.411 1.00 0.00 N ATOM 1282 CA TYR A 91 7.671 4.704 7.988 1.00 0.00 C ATOM 1283 C TYR A 91 6.678 5.816 7.678 1.00 0.00 C ATOM 1284 O TYR A 91 5.593 5.766 8.236 1.00 0.00 O ATOM 1285 CB TYR A 91 7.282 3.451 7.212 1.00 0.00 C ATOM 1286 CG TYR A 91 8.459 2.578 6.807 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.658 3.036 6.264 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.200 1.207 6.846 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.625 2.111 5.834 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.141 0.268 6.405 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.317 0.741 5.805 1.00 0.00 C ATOM 1292 OH TYR A 91 11.266 -0.042 5.215 1.00 0.00 O ATOM 0 H TYR A 91 7.163 3.762 9.779 1.00 0.00 H new ATOM 0 HA TYR A 91 8.659 5.029 7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.597 2.859 7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.738 3.747 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.843 4.096 6.174 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.250 0.861 7.226 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.602 2.453 5.527 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.966 -0.791 6.524 1.00 0.00 H new ATOM 0 HH TYR A 91 10.948 -0.968 5.176 1.00 0.00 H new ATOM 1302 N ASN A 92 6.928 6.438 6.519 1.00 0.00 N ATOM 1303 CA ASN A 92 6.063 7.468 5.989 1.00 0.00 C ATOM 1304 C ASN A 92 5.638 7.228 4.542 1.00 0.00 C ATOM 1305 O ASN A 92 6.475 7.131 3.647 1.00 0.00 O ATOM 1306 CB ASN A 92 6.641 8.872 6.147 1.00 0.00 C ATOM 1307 CG ASN A 92 5.687 9.988 5.719 1.00 0.00 C ATOM 1308 OD1 ASN A 92 5.664 10.482 4.600 1.00 0.00 O ATOM 1309 ND2 ASN A 92 4.754 10.398 6.575 1.00 0.00 N ATOM 0 H ASN A 92 7.737 6.233 5.933 1.00 0.00 H new ATOM 0 HA ASN A 92 5.165 7.404 6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.918 9.025 7.190 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.557 8.945 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.065 11.092 6.285 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.728 10.018 7.521 1.00 0.00 H new ATOM 1316 N VAL A 93 4.332 6.982 4.395 1.00 0.00 N ATOM 1317 CA VAL A 93 3.800 6.229 3.277 1.00 0.00 C ATOM 1318 C VAL A 93 2.901 7.036 2.353 1.00 0.00 C ATOM 1319 O VAL A 93 1.960 7.660 2.847 1.00 0.00 O ATOM 1320 CB VAL A 93 3.057 4.985 3.750 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.704 4.013 2.624 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.811 4.133 4.767 1.00 0.00 C ATOM 0 H VAL A 93 3.622 7.303 5.053 1.00 0.00 H new ATOM 0 HA VAL A 93 4.675 5.941 2.694 1.00 0.00 H new ATOM 0 HB VAL A 93 2.170 5.432 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.177 3.153 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.065 4.515 1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.618 3.677 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.202 3.272 5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.749 3.790 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.021 4.728 5.656 1.00 0.00 H new ATOM 1332 N ASN A 94 3.289 7.126 1.074 1.00 0.00 N ATOM 1333 CA ASN A 94 2.750 8.026 0.076 1.00 0.00 C ATOM 1334 C ASN A 94 2.399 7.213 -1.165 1.00 0.00 C ATOM 1335 O ASN A 94 3.242 6.508 -1.704 1.00 0.00 O ATOM 1336 CB ASN A 94 3.783 9.025 -0.447 1.00 0.00 C ATOM 1337 CG ASN A 94 3.309 9.890 -1.605 1.00 0.00 C ATOM 1338 OD1 ASN A 94 2.140 10.250 -1.657 1.00 0.00 O ATOM 1339 ND2 ASN A 94 4.097 10.256 -2.623 1.00 0.00 N ATOM 0 H ASN A 94 4.030 6.534 0.699 1.00 0.00 H new ATOM 0 HA ASN A 94 1.915 8.539 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.085 9.676 0.373 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.670 8.476 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 94 3.715 10.808 -3.391 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.080 9.983 -2.631 1.00 0.00 H new ATOM 1346 N VAL A 95 1.107 7.072 -1.464 1.00 0.00 N ATOM 1347 CA VAL A 95 0.552 6.394 -2.625 1.00 0.00 C ATOM 1348 C VAL A 95 0.207 7.403 -3.696 1.00 0.00 C ATOM 1349 O VAL A 95 -0.267 8.483 -3.328 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.698 5.601 -2.260 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.422 4.881 -3.407 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.286 4.527 -1.250 1.00 0.00 C ATOM 0 H VAL A 95 0.379 7.454 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 95 1.306 5.700 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.403 6.344 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.292 4.355 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.743 5.611 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.745 4.165 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.159 3.940 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.461 3.873 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.134 5.003 -0.364 1.00 0.00 H new ATOM 1362 N THR A 96 0.576 7.098 -4.941 1.00 0.00 N ATOM 1363 CA THR A 96 0.496 7.914 -6.132 1.00 0.00 C ATOM 1364 C THR A 96 0.163 7.175 -7.426 1.00 0.00 C ATOM 1365 O THR A 96 0.243 5.966 -7.617 1.00 0.00 O ATOM 1366 CB THR A 96 1.774 8.674 -6.481 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.855 7.771 -6.383 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.042 9.729 -5.409 1.00 0.00 C ATOM 0 H THR A 96 0.976 6.183 -5.150 1.00 0.00 H new ATOM 0 HA THR A 96 -0.315 8.576 -5.829 1.00 0.00 H new ATOM 0 HB THR A 96 1.671 9.117 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.690 8.235 -6.604 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.954 10.274 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.204 10.425 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.160 9.242 -4.441 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.366 7.929 -8.400 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.304 7.386 -9.359 1.00 0.00 C ATOM 1378 C LEU A 97 -0.686 7.823 -10.679 1.00 0.00 C ATOM 1379 O LEU A 97 -0.824 9.017 -10.961 1.00 0.00 O ATOM 1380 CB LEU A 97 -2.634 8.029 -8.981 1.00 0.00 C ATOM 1381 CG LEU A 97 -3.610 7.646 -10.086 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.876 6.151 -10.300 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -4.950 8.269 -9.703 1.00 0.00 C ATOM 0 H LEU A 97 -0.152 8.917 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.484 6.312 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.980 7.670 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.537 9.112 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.155 7.995 -11.013 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.588 6.021 -11.115 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.942 5.647 -10.550 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.287 5.720 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.694 8.027 -10.462 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.273 7.874 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.841 9.351 -9.633 1.00 0.00 H new ATOM 1395 N ARG A 98 -0.054 6.913 -11.427 1.00 0.00 N ATOM 1396 CA ARG A 98 0.877 7.234 -12.492 1.00 0.00 C ATOM 1397 C ARG A 98 1.787 8.308 -11.907 1.00 0.00 C ATOM 1398 O ARG A 98 1.929 9.384 -12.484 1.00 0.00 O ATOM 1399 CB ARG A 98 0.083 7.684 -13.718 1.00 0.00 C ATOM 1400 CG ARG A 98 0.911 7.961 -14.963 1.00 0.00 C ATOM 1401 CD ARG A 98 -0.089 8.125 -16.115 1.00 0.00 C ATOM 1402 NE ARG A 98 -1.008 9.255 -16.000 1.00 0.00 N ATOM 1403 CZ ARG A 98 -0.682 10.525 -16.264 1.00 0.00 C ATOM 1404 NH1 ARG A 98 0.420 11.044 -16.840 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -1.599 11.452 -15.957 1.00 0.00 N ATOM 0 H ARG A 98 -0.185 5.910 -11.298 1.00 0.00 H new ATOM 0 HA ARG A 98 1.485 6.396 -12.832 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.654 6.916 -13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.470 8.588 -13.461 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.512 8.862 -14.838 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.602 7.142 -15.161 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.470 8.228 -17.045 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.676 7.210 -16.196 1.00 0.00 H new ATOM 0 HE ARG A 98 -1.963 9.062 -15.698 1.00 0.00 H new ATOM 0 HH11 ARG A 98 1.171 10.428 -17.151 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.503 12.053 -16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.489 11.172 -15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.407 12.438 -16.135 1.00 0.00 H new ATOM 1419 N GLY A 99 2.217 8.139 -10.659 1.00 0.00 N ATOM 1420 CA GLY A 99 3.096 9.071 -9.968 1.00 0.00 C ATOM 1421 C GLY A 99 2.565 10.422 -9.517 1.00 0.00 C ATOM 1422 O GLY A 99 3.250 11.248 -8.915 1.00 0.00 O ATOM 0 H GLY A 99 1.957 7.333 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.479 8.561 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.948 9.259 -10.622 1.00 0.00 H new ATOM 1426 N ASN A 100 1.289 10.731 -9.791 1.00 0.00 N ATOM 1427 CA ASN A 100 0.521 11.887 -9.387 1.00 0.00 C ATOM 1428 C ASN A 100 -0.120 11.703 -8.017 1.00 0.00 C ATOM 1429 O ASN A 100 -0.361 10.532 -7.729 1.00 0.00 O ATOM 1430 CB ASN A 100 -0.596 12.171 -10.395 1.00 0.00 C ATOM 1431 CG ASN A 100 -0.171 12.403 -11.837 1.00 0.00 C ATOM 1432 OD1 ASN A 100 0.429 13.435 -12.095 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -0.506 11.457 -12.719 1.00 0.00 N ATOM 0 H ASN A 100 0.723 10.102 -10.361 1.00 0.00 H new ATOM 0 HA ASN A 100 1.222 12.720 -9.343 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.293 11.333 -10.376 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.145 13.050 -10.056 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.259 11.566 -13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.009 10.626 -12.409 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.321 12.746 -7.203 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.834 12.562 -5.866 1.00 0.00 C ATOM 1442 C PRO A 101 -2.328 12.293 -5.852 1.00 0.00 C ATOM 1443 O PRO A 101 -3.027 12.396 -6.854 1.00 0.00 O ATOM 1444 CB PRO A 101 -0.585 13.868 -5.120 1.00 0.00 C ATOM 1445 CG PRO A 101 -0.782 14.847 -6.273 1.00 0.00 C ATOM 1446 CD PRO A 101 -0.075 14.155 -7.425 1.00 0.00 C ATOM 0 HA PRO A 101 -0.339 11.704 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -1.292 14.029 -4.306 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.415 13.922 -4.689 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.838 15.013 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -0.344 15.821 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.470 14.481 -8.387 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.992 14.377 -7.427 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.793 11.927 -4.651 1.00 0.00 N ATOM 1455 CA ILE A 102 -4.145 11.581 -4.280 1.00 0.00 C ATOM 1456 C ILE A 102 -4.564 12.210 -2.958 1.00 0.00 C ATOM 1457 O ILE A 102 -3.923 13.181 -2.568 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.399 10.082 -4.451 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.880 9.268 -3.267 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -3.733 9.550 -5.723 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -4.078 7.763 -3.406 1.00 0.00 C ATOM 0 H ILE A 102 -2.164 11.864 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.841 12.041 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.481 9.968 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.817 9.473 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.382 9.607 -2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.931 8.482 -5.818 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -4.136 10.072 -6.591 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.657 9.716 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.682 7.261 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.141 7.543 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.552 7.407 -4.292 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.608 11.827 -2.216 1.00 0.00 N ATOM 1474 CA LYS A 103 -6.136 12.456 -1.023 1.00 0.00 C ATOM 1475 C LYS A 103 -5.656 11.694 0.196 1.00 0.00 C ATOM 1476 O LYS A 103 -5.341 10.512 0.024 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.662 12.405 -1.088 1.00 0.00 C ATOM 1478 CG LYS A 103 -8.104 13.594 -1.928 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.628 13.661 -2.003 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.064 14.895 -2.797 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.207 15.558 -2.155 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.145 10.996 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.798 13.490 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.999 11.469 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.094 12.455 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.715 14.516 -1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.688 13.512 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.016 12.759 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -10.048 13.699 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.231 15.594 -2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.332 14.602 -3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.483 16.391 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.007 14.896 -2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.941 15.857 -1.195 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.669 12.301 1.386 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.391 11.732 2.688 1.00 0.00 C ATOM 1497 C ASN A 104 -4.041 11.028 2.764 1.00 0.00 C ATOM 1498 O ASN A 104 -3.951 9.894 3.229 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.629 10.890 2.994 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.979 11.588 3.082 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.812 11.483 2.182 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -8.256 12.311 4.170 1.00 0.00 N ATOM 0 H ASN A 104 -5.896 13.293 1.458 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.251 12.478 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.704 10.119 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.457 10.380 3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.159 12.777 4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.565 12.397 4.915 1.00 0.00 H new ATOM 1509 N MET A 105 -3.035 11.481 2.015 1.00 0.00 N ATOM 1510 CA MET A 105 -1.740 10.835 1.874 1.00 0.00 C ATOM 1511 C MET A 105 -0.708 11.940 2.065 1.00 0.00 C ATOM 1512 O MET A 105 -1.043 13.063 1.694 1.00 0.00 O ATOM 1513 CB MET A 105 -1.568 10.397 0.425 1.00 0.00 C ATOM 1514 CG MET A 105 -2.158 9.016 0.168 1.00 0.00 C ATOM 1515 SD MET A 105 -1.288 7.716 1.072 1.00 0.00 S ATOM 1516 CE MET A 105 -2.697 6.651 1.450 1.00 0.00 C ATOM 0 H MET A 105 -3.108 12.341 1.471 1.00 0.00 H new ATOM 0 HA MET A 105 -1.645 9.998 2.566 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.047 11.123 -0.232 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.508 10.390 0.173 1.00 0.00 H new ATOM 0 HG2 MET A 105 -3.209 9.014 0.456 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.119 8.800 -0.900 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.356 5.782 2.013 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.423 7.206 2.044 1.00 0.00 H new ATOM 0 HE3 MET A 105 -3.163 6.321 0.522 1.00 0.00 H new ATOM 1526 N PRO A 106 0.517 11.776 2.561 1.00 0.00 N ATOM 1527 CA PRO A 106 1.093 10.566 3.125 1.00 0.00 C ATOM 1528 C PRO A 106 0.414 10.139 4.420 1.00 0.00 C ATOM 1529 O PRO A 106 -0.391 10.926 4.915 1.00 0.00 O ATOM 1530 CB PRO A 106 2.556 10.963 3.170 1.00 0.00 C ATOM 1531 CG PRO A 106 2.606 12.469 3.410 1.00 0.00 C ATOM 1532 CD PRO A 106 1.369 12.940 2.654 1.00 0.00 C ATOM 0 HA PRO A 106 0.953 9.641 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.076 10.429 3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.054 10.705 2.235 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.558 12.717 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.520 12.916 3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.870 13.752 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.631 13.316 1.665 1.00 0.00 H new ATOM 1540 N ILE A 107 0.808 8.980 4.951 1.00 0.00 N ATOM 1541 CA ILE A 107 0.403 8.549 6.274 1.00 0.00 C ATOM 1542 C ILE A 107 1.563 7.819 6.937 1.00 0.00 C ATOM 1543 O ILE A 107 2.524 7.507 6.236 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.916 7.778 6.335 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.841 6.628 5.336 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -2.105 8.688 6.045 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.816 5.490 5.624 1.00 0.00 C ATOM 0 H ILE A 107 1.417 8.319 4.469 1.00 0.00 H new ATOM 0 HA ILE A 107 0.169 9.447 6.846 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.066 7.384 7.340 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -1.036 7.016 4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.174 6.230 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -3.027 8.109 6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.138 9.490 6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.001 9.117 5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.700 4.712 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.608 5.073 6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.837 5.871 5.599 1.00 0.00 H new ATOM 1559 N ASP A 108 1.554 7.484 8.224 1.00 0.00 N ATOM 1560 CA ASP A 108 2.704 7.019 8.966 1.00 0.00 C ATOM 1561 C ASP A 108 2.499 5.686 9.677 1.00 0.00 C ATOM 1562 O ASP A 108 1.417 5.414 10.193 1.00 0.00 O ATOM 1563 CB ASP A 108 3.067 8.028 10.059 1.00 0.00 C ATOM 1564 CG ASP A 108 3.511 9.345 9.443 1.00 0.00 C ATOM 1565 OD1 ASP A 108 4.744 9.501 9.276 1.00 0.00 O ATOM 1566 OD2 ASP A 108 2.669 10.232 9.180 1.00 0.00 O1- ATOM 0 H ASP A 108 0.709 7.534 8.793 1.00 0.00 H new ATOM 0 HA ASP A 108 3.485 6.899 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.207 8.195 10.708 1.00 0.00 H new ATOM 0 HB3 ASP A 108 3.864 7.625 10.684 1.00 0.00 H new ATOM 1571 N VAL A 109 3.534 4.842 9.681 1.00 0.00 N ATOM 1572 CA VAL A 109 3.439 3.466 10.131 1.00 0.00 C ATOM 1573 C VAL A 109 4.596 3.160 11.071 1.00 0.00 C ATOM 1574 O VAL A 109 5.758 3.311 10.720 1.00 0.00 O ATOM 1575 CB VAL A 109 3.445 2.433 9.009 1.00 0.00 C ATOM 1576 CG1 VAL A 109 3.331 0.968 9.391 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.339 2.891 8.058 1.00 0.00 C ATOM 0 H VAL A 109 4.468 5.105 9.367 1.00 0.00 H new ATOM 0 HA VAL A 109 2.473 3.384 10.629 1.00 0.00 H new ATOM 0 HB VAL A 109 4.437 2.418 8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.349 0.355 8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.167 0.693 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.395 0.803 9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.273 2.201 7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.387 2.908 8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.567 3.891 7.690 1.00 0.00 H new ATOM 1587 N LYS A 110 4.301 2.770 12.318 1.00 0.00 N ATOM 1588 CA LYS A 110 5.230 2.303 13.327 1.00 0.00 C ATOM 1589 C LYS A 110 5.823 0.991 12.853 1.00 0.00 C ATOM 1590 O LYS A 110 5.131 0.059 12.454 1.00 0.00 O ATOM 1591 CB LYS A 110 4.700 2.215 14.758 1.00 0.00 C ATOM 1592 CG LYS A 110 4.085 3.542 15.173 1.00 0.00 C ATOM 1593 CD LYS A 110 3.651 3.611 16.639 1.00 0.00 C ATOM 1594 CE LYS A 110 2.991 4.927 17.057 1.00 0.00 C ATOM 1595 NZ LYS A 110 3.970 6.027 16.917 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.340 2.777 12.660 1.00 0.00 H new ATOM 0 HA LYS A 110 5.995 3.074 13.421 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.955 1.423 14.829 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.510 1.953 15.438 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.806 4.337 14.983 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.219 3.740 14.541 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.956 2.795 16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.525 3.444 17.269 1.00 0.00 H new ATOM 0 HE2 LYS A 110 2.116 5.122 16.437 1.00 0.00 H new ATOM 0 HE3 LYS A 110 2.643 4.862 18.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 3.574 6.898 17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.847 5.777 17.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.178 6.180 15.910 1.00 0.00 H new ATOM 1609 N CYS A 111 7.148 0.914 12.955 1.00 0.00 N ATOM 1610 CA CYS A 111 8.001 -0.202 12.574 1.00 0.00 C ATOM 1611 C CYS A 111 8.944 -0.722 13.659 1.00 0.00 C ATOM 1612 O CYS A 111 9.466 0.048 14.465 1.00 0.00 O ATOM 1613 CB CYS A 111 8.794 0.198 11.344 1.00 0.00 C ATOM 1614 SG CYS A 111 7.837 0.955 10.003 1.00 0.00 S ATOM 0 H CYS A 111 7.691 1.690 13.335 1.00 0.00 H new ATOM 0 HA CYS A 111 7.330 -1.039 12.379 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.574 0.896 11.648 1.00 0.00 H new ATOM 0 HB3 CYS A 111 9.295 -0.688 10.953 1.00 0.00 H new ATOM 0 HG CYS A 111 8.376 0.651 8.860 1.00 0.00 H new ATOM 1620 N ILE A 112 9.119 -2.030 13.820 1.00 0.00 N ATOM 1621 CA ILE A 112 10.165 -2.640 14.613 1.00 0.00 C ATOM 1622 C ILE A 112 10.871 -3.725 13.816 1.00 0.00 C ATOM 1623 O ILE A 112 10.294 -4.402 12.958 1.00 0.00 O ATOM 1624 CB ILE A 112 9.691 -3.133 15.985 1.00 0.00 C ATOM 1625 CG1 ILE A 112 9.248 -1.919 16.794 1.00 0.00 C ATOM 1626 CG2 ILE A 112 10.736 -3.866 16.823 1.00 0.00 C ATOM 1627 CD1 ILE A 112 8.418 -2.237 18.037 1.00 0.00 C ATOM 0 H ILE A 112 8.507 -2.717 13.380 1.00 0.00 H new ATOM 0 HA ILE A 112 10.889 -1.857 14.839 1.00 0.00 H new ATOM 0 HB ILE A 112 8.899 -3.852 15.777 1.00 0.00 H new ATOM 0 HG12 ILE A 112 10.134 -1.363 17.100 1.00 0.00 H new ATOM 0 HG13 ILE A 112 8.667 -1.262 16.146 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.294 -4.170 17.772 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.081 -4.749 16.284 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.581 -3.204 17.012 1.00 0.00 H new ATOM 0 HD11 ILE A 112 8.152 -1.309 18.544 1.00 0.00 H new ATOM 0 HD12 ILE A 112 7.510 -2.763 17.743 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.999 -2.865 18.712 1.00 0.00 H new ATOM 1639 N GLU A 113 12.139 -3.972 14.127 1.00 0.00 N ATOM 1640 CA GLU A 113 13.033 -4.739 13.277 1.00 0.00 C ATOM 1641 C GLU A 113 12.935 -6.243 13.481 1.00 0.00 C ATOM 1642 O GLU A 113 13.924 -6.961 13.591 1.00 0.00 O ATOM 1643 CB GLU A 113 14.470 -4.236 13.430 1.00 0.00 C ATOM 1644 CG GLU A 113 14.998 -4.074 14.854 1.00 0.00 C ATOM 1645 CD GLU A 113 16.280 -3.246 14.899 1.00 0.00 C ATOM 1646 OE1 GLU A 113 16.094 -2.007 14.913 1.00 0.00 O ATOM 1647 OE2 GLU A 113 17.383 -3.809 15.016 1.00 0.00 O1- ATOM 0 H GLU A 113 12.577 -3.640 14.987 1.00 0.00 H new ATOM 0 HA GLU A 113 12.708 -4.573 12.250 1.00 0.00 H new ATOM 0 HB2 GLU A 113 15.128 -4.925 12.900 1.00 0.00 H new ATOM 0 HB3 GLU A 113 14.547 -3.272 12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 113 14.236 -3.597 15.471 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.186 -5.057 15.285 1.00 0.00 H new ATOM 1654 N GLY A 114 11.684 -6.720 13.543 1.00 0.00 N ATOM 1655 CA GLY A 114 11.369 -8.094 13.847 1.00 0.00 C ATOM 1656 C GLY A 114 11.821 -9.132 12.833 1.00 0.00 C ATOM 0 H GLY A 114 10.861 -6.141 13.378 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.814 -8.341 14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 114 10.289 -8.179 13.964 1.00 0.00 H new TER 1660 GLY A 114