USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 34 SER OG : rot -49:sc= 1.14 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.715 K(o=1.9,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.166 (180deg=-0.00412) USER MOD Single : A 2 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.0021) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-1.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.1 K(o=0.1,f=-4.5!) USER MOD Single : A 11 GLN : amide:sc=-0.00263 X(o=-0.0026,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.257 USER MOD Single : A 14 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.18) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.1!) USER MOD Single : A 32 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.14) USER MOD Single : A 40 GLN : amide:sc= -0.825 K(o=-0.83,f=-0.22) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0125 (180deg=-0.0967) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 158:sc= 0 (180deg=-0.69) USER MOD Single : A 52 THR OG1 : rot -5:sc= 0.892 USER MOD Single : A 53 SER OG : rot -137:sc= 1.29 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.704 K(o=0.7,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.26) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.204) USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= -0.667 (180deg=-3.48!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -137:sc= -5.45 (180deg=-14.7!) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= -0.0362 (180deg=-0.164) USER MOD Single : A 69 MET CE :methyl -161:sc= -0.0921 (180deg=-0.542) USER MOD Single : A 70 SER OG : rot -176:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= -0.04 (180deg=-0.391) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.690 -5.545 0.301 1.00 0.00 N ATOM 2 CA GLY A 1 16.759 -4.089 0.189 1.00 0.00 C ATOM 3 C GLY A 1 15.669 -3.460 1.005 1.00 0.00 C ATOM 4 O GLY A 1 14.778 -4.161 1.472 1.00 0.00 O ATOM 0 H1 GLY A 1 17.586 -5.906 0.686 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.909 -5.808 0.936 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.526 -5.958 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.731 -3.735 0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.661 -3.791 -0.855 1.00 0.00 H new ATOM 10 N HIS A 2 15.715 -2.153 1.174 1.00 0.00 N ATOM 11 CA HIS A 2 14.719 -1.462 1.984 1.00 0.00 C ATOM 12 C HIS A 2 13.676 -0.800 1.103 1.00 0.00 C ATOM 13 O HIS A 2 12.638 -0.363 1.576 1.00 0.00 O ATOM 14 CB HIS A 2 15.366 -0.413 2.926 1.00 0.00 C ATOM 15 CG HIS A 2 15.988 0.786 2.239 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.539 2.078 2.394 1.00 0.00 N ATOM 17 CD2 HIS A 2 17.048 0.864 1.408 1.00 0.00 C ATOM 18 CE1 HIS A 2 16.310 2.879 1.673 1.00 0.00 C ATOM 19 NE2 HIS A 2 17.251 2.193 1.049 1.00 0.00 N ATOM 0 H HIS A 2 16.426 -1.547 0.765 1.00 0.00 H new ATOM 0 HA HIS A 2 14.233 -2.213 2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.606 -0.057 3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.134 -0.908 3.520 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.644 0.028 1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 2 16.186 3.950 1.605 1.00 0.00 H new ATOM 0 HE2 HIS A 2 17.975 2.561 0.432 1.00 0.00 H new ATOM 27 N MET A 3 13.961 -0.725 -0.180 1.00 0.00 N ATOM 28 CA MET A 3 13.051 -0.094 -1.104 1.00 0.00 C ATOM 29 C MET A 3 11.902 -1.015 -1.457 1.00 0.00 C ATOM 30 O MET A 3 12.027 -2.221 -1.383 1.00 0.00 O ATOM 31 CB MET A 3 13.771 0.425 -2.336 1.00 0.00 C ATOM 32 CG MET A 3 14.753 1.545 -2.035 1.00 0.00 C ATOM 33 SD MET A 3 15.592 2.165 -3.506 1.00 0.00 S ATOM 34 CE MET A 3 16.628 3.419 -2.757 1.00 0.00 C ATOM 0 H MET A 3 14.813 -1.093 -0.603 1.00 0.00 H new ATOM 0 HA MET A 3 12.623 0.776 -0.605 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.305 -0.399 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.034 0.782 -3.055 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.222 2.366 -1.554 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.497 1.186 -1.324 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.222 3.909 -3.529 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.001 4.158 -2.257 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.292 2.954 -2.028 1.00 0.00 H new ATOM 44 N VAL A 4 10.818 -0.433 -1.914 1.00 0.00 N ATOM 45 CA VAL A 4 9.537 -1.134 -2.052 1.00 0.00 C ATOM 46 C VAL A 4 9.554 -2.258 -3.073 1.00 0.00 C ATOM 47 O VAL A 4 8.878 -3.258 -2.914 1.00 0.00 O ATOM 48 CB VAL A 4 8.395 -0.144 -2.347 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.474 0.989 -1.387 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.416 0.367 -3.777 1.00 0.00 C ATOM 0 H VAL A 4 10.787 0.544 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 4 9.358 -1.611 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 4 7.451 -0.676 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.668 1.695 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.378 0.611 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.434 1.493 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.589 1.061 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.359 0.880 -3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.315 -0.473 -4.465 1.00 0.00 H new ATOM 60 N HIS A 5 10.351 -2.109 -4.090 1.00 0.00 N ATOM 61 CA HIS A 5 10.457 -3.110 -5.139 1.00 0.00 C ATOM 62 C HIS A 5 11.173 -4.381 -4.614 1.00 0.00 C ATOM 63 O HIS A 5 11.128 -5.447 -5.232 1.00 0.00 O ATOM 64 CB HIS A 5 11.166 -2.508 -6.372 1.00 0.00 C ATOM 65 CG HIS A 5 12.424 -1.757 -6.051 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.480 -0.388 -5.962 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.657 -2.200 -5.743 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.704 -0.049 -5.599 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.469 -1.115 -5.455 1.00 0.00 N ATOM 0 H HIS A 5 10.950 -1.295 -4.226 1.00 0.00 H new ATOM 0 HA HIS A 5 9.457 -3.415 -5.448 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.404 -3.312 -7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.476 -1.837 -6.883 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.964 -3.235 -5.723 1.00 0.00 H new ATOM 0 HE1 HIS A 5 14.035 0.967 -5.441 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.453 -1.136 -5.187 1.00 0.00 H new ATOM 77 N GLU A 6 11.792 -4.237 -3.447 1.00 0.00 N ATOM 78 CA GLU A 6 12.513 -5.304 -2.775 1.00 0.00 C ATOM 79 C GLU A 6 11.617 -5.971 -1.739 1.00 0.00 C ATOM 80 O GLU A 6 12.007 -6.945 -1.094 1.00 0.00 O ATOM 81 CB GLU A 6 13.724 -4.713 -2.067 1.00 0.00 C ATOM 82 CG GLU A 6 14.737 -4.092 -2.991 1.00 0.00 C ATOM 83 CD GLU A 6 15.438 -5.131 -3.813 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.411 -5.708 -3.320 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.023 -5.403 -4.951 1.00 0.00 O ATOM 0 H GLU A 6 11.805 -3.356 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 6 12.825 -6.044 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.384 -3.958 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.210 -5.497 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.242 -3.378 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.469 -3.533 -2.408 1.00 0.00 H new ATOM 92 N TRP A 7 10.432 -5.433 -1.575 1.00 0.00 N ATOM 93 CA TRP A 7 9.490 -5.943 -0.611 1.00 0.00 C ATOM 94 C TRP A 7 8.735 -7.093 -1.205 1.00 0.00 C ATOM 95 O TRP A 7 8.399 -7.073 -2.388 1.00 0.00 O ATOM 96 CB TRP A 7 8.496 -4.865 -0.174 1.00 0.00 C ATOM 97 CG TRP A 7 9.105 -3.699 0.542 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.387 -3.573 0.996 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.436 -2.505 0.918 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.548 -2.365 1.603 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.369 -1.691 1.574 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.137 -2.041 0.755 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.047 -0.442 2.067 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.818 -0.799 1.247 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.768 -0.012 1.894 1.00 0.00 C ATOM 0 H TRP A 7 10.095 -4.630 -2.106 1.00 0.00 H new ATOM 0 HA TRP A 7 10.051 -6.270 0.264 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.970 -4.497 -1.055 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.749 -5.322 0.475 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.159 -4.321 0.889 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.416 -2.021 2.014 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.395 -2.643 0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.782 0.169 2.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.811 -0.425 1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.483 0.961 2.266 1.00 0.00 H new ATOM 116 N SER A 8 8.468 -8.083 -0.400 1.00 0.00 N ATOM 117 CA SER A 8 7.755 -9.229 -0.850 1.00 0.00 C ATOM 118 C SER A 8 6.312 -9.195 -0.368 1.00 0.00 C ATOM 119 O SER A 8 5.401 -8.944 -1.129 1.00 0.00 O ATOM 120 CB SER A 8 8.452 -10.471 -0.346 1.00 0.00 C ATOM 121 OG SER A 8 9.815 -10.458 -0.738 1.00 0.00 O ATOM 0 H SER A 8 8.741 -8.112 0.582 1.00 0.00 H new ATOM 0 HA SER A 8 7.739 -9.235 -1.940 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.378 -10.523 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.960 -11.359 -0.742 1.00 0.00 H new ATOM 0 HG SER A 8 10.259 -11.266 -0.405 1.00 0.00 H new ATOM 127 N VAL A 9 6.119 -9.417 0.909 1.00 0.00 N ATOM 128 CA VAL A 9 4.786 -9.479 1.474 1.00 0.00 C ATOM 129 C VAL A 9 4.783 -8.775 2.814 1.00 0.00 C ATOM 130 O VAL A 9 4.158 -7.756 2.986 1.00 0.00 O ATOM 131 CB VAL A 9 4.312 -10.969 1.666 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.995 -11.030 2.400 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.186 -11.702 0.331 1.00 0.00 C ATOM 0 H VAL A 9 6.871 -9.559 1.583 1.00 0.00 H new ATOM 0 HA VAL A 9 4.097 -8.990 0.785 1.00 0.00 H new ATOM 0 HB VAL A 9 5.077 -11.467 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.692 -12.070 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.104 -10.570 3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.236 -10.494 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.857 -12.726 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.457 -11.190 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.154 -11.713 -0.171 1.00 0.00 H new ATOM 143 N GLN A 10 5.567 -9.294 3.720 1.00 0.00 N ATOM 144 CA GLN A 10 5.644 -8.795 5.090 1.00 0.00 C ATOM 145 C GLN A 10 6.222 -7.386 5.161 1.00 0.00 C ATOM 146 O GLN A 10 6.023 -6.670 6.132 1.00 0.00 O ATOM 147 CB GLN A 10 6.442 -9.769 5.983 1.00 0.00 C ATOM 148 CG GLN A 10 7.958 -9.897 5.711 1.00 0.00 C ATOM 149 CD GLN A 10 8.305 -10.387 4.318 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.544 -11.111 3.683 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.438 -10.026 3.846 1.00 0.00 N ATOM 0 H GLN A 10 6.183 -10.086 3.537 1.00 0.00 H new ATOM 0 HA GLN A 10 4.624 -8.736 5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.310 -9.461 7.020 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.997 -10.759 5.885 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.426 -8.925 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.389 -10.581 6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.051 -9.424 4.395 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.728 -10.341 2.920 1.00 0.00 H new ATOM 160 N GLN A 11 6.916 -6.999 4.121 1.00 0.00 N ATOM 161 CA GLN A 11 7.512 -5.695 4.067 1.00 0.00 C ATOM 162 C GLN A 11 6.546 -4.631 3.536 1.00 0.00 C ATOM 163 O GLN A 11 6.742 -3.445 3.772 1.00 0.00 O ATOM 164 CB GLN A 11 8.800 -5.712 3.264 1.00 0.00 C ATOM 165 CG GLN A 11 9.957 -6.417 3.935 1.00 0.00 C ATOM 166 CD GLN A 11 11.283 -6.082 3.280 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.938 -5.120 3.665 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.698 -6.857 2.323 1.00 0.00 N ATOM 0 H GLN A 11 7.081 -7.576 3.296 1.00 0.00 H new ATOM 0 HA GLN A 11 7.754 -5.419 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.607 -6.193 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.093 -4.684 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.991 -6.136 4.988 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.796 -7.494 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.129 -7.650 2.026 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.593 -6.673 1.869 1.00 0.00 H new ATOM 177 N VAL A 12 5.472 -5.053 2.872 1.00 0.00 N ATOM 178 CA VAL A 12 4.524 -4.094 2.283 1.00 0.00 C ATOM 179 C VAL A 12 3.704 -3.419 3.399 1.00 0.00 C ATOM 180 O VAL A 12 3.225 -2.284 3.262 1.00 0.00 O ATOM 181 CB VAL A 12 3.571 -4.782 1.237 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.416 -5.534 1.878 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.076 -3.804 0.198 1.00 0.00 C ATOM 0 H VAL A 12 5.234 -6.034 2.727 1.00 0.00 H new ATOM 0 HA VAL A 12 5.098 -3.337 1.748 1.00 0.00 H new ATOM 0 HB VAL A 12 4.182 -5.530 0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.799 -5.984 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.807 -6.316 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.813 -4.842 2.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.421 -4.320 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.523 -3.002 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.926 -3.383 -0.340 1.00 0.00 H new ATOM 193 N SER A 13 3.605 -4.110 4.517 1.00 0.00 N ATOM 194 CA SER A 13 2.836 -3.671 5.640 1.00 0.00 C ATOM 195 C SER A 13 3.501 -2.478 6.341 1.00 0.00 C ATOM 196 O SER A 13 2.805 -1.620 6.895 1.00 0.00 O ATOM 197 CB SER A 13 2.669 -4.849 6.588 1.00 0.00 C ATOM 198 OG SER A 13 2.564 -6.056 5.820 1.00 0.00 O ATOM 0 H SER A 13 4.069 -5.007 4.662 1.00 0.00 H new ATOM 0 HA SER A 13 1.858 -3.325 5.305 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.519 -4.908 7.268 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.778 -4.715 7.202 1.00 0.00 H new ATOM 0 HG SER A 13 2.458 -6.820 6.424 1.00 0.00 H new ATOM 204 N HIS A 14 4.843 -2.391 6.242 1.00 0.00 N ATOM 205 CA HIS A 14 5.612 -1.318 6.899 1.00 0.00 C ATOM 206 C HIS A 14 5.154 0.032 6.396 1.00 0.00 C ATOM 207 O HIS A 14 5.011 0.985 7.171 1.00 0.00 O ATOM 208 CB HIS A 14 7.131 -1.445 6.655 1.00 0.00 C ATOM 209 CG HIS A 14 7.758 -2.744 7.075 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.459 -3.413 8.237 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.680 -3.503 6.439 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.190 -4.526 8.273 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.950 -4.632 7.201 1.00 0.00 N ATOM 0 H HIS A 14 5.415 -3.050 5.714 1.00 0.00 H new ATOM 0 HA HIS A 14 5.430 -1.413 7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.322 -1.299 5.592 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.633 -0.634 7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.135 -3.268 5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.164 -5.248 9.076 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.600 -5.386 6.978 1.00 0.00 H new ATOM 221 N TRP A 15 4.908 0.100 5.104 1.00 0.00 N ATOM 222 CA TRP A 15 4.425 1.299 4.484 1.00 0.00 C ATOM 223 C TRP A 15 3.045 1.646 5.003 1.00 0.00 C ATOM 224 O TRP A 15 2.869 2.704 5.578 1.00 0.00 O ATOM 225 CB TRP A 15 4.446 1.167 2.957 1.00 0.00 C ATOM 226 CG TRP A 15 3.660 2.219 2.243 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.949 3.547 2.121 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.442 2.004 1.549 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.951 4.173 1.407 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.022 3.237 1.035 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.666 0.873 1.315 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.849 3.366 0.302 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.514 1.008 0.587 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.122 2.235 0.093 1.00 0.00 C ATOM 0 H TRP A 15 5.040 -0.680 4.460 1.00 0.00 H new ATOM 0 HA TRP A 15 5.090 2.122 4.746 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.480 1.205 2.614 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.055 0.187 2.682 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.826 4.033 2.523 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.910 5.169 1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.966 -0.091 1.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.528 4.322 -0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.098 0.139 0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.792 2.300 -0.478 1.00 0.00 H new ATOM 245 N LEU A 16 2.102 0.714 4.854 1.00 0.00 N ATOM 246 CA LEU A 16 0.694 0.896 5.254 1.00 0.00 C ATOM 247 C LEU A 16 0.565 1.442 6.677 1.00 0.00 C ATOM 248 O LEU A 16 -0.167 2.401 6.917 1.00 0.00 O ATOM 249 CB LEU A 16 -0.036 -0.435 5.153 1.00 0.00 C ATOM 250 CG LEU A 16 -0.217 -1.010 3.740 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.523 -2.476 3.800 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.360 -0.312 3.029 1.00 0.00 C ATOM 0 H LEU A 16 2.291 -0.202 4.448 1.00 0.00 H new ATOM 0 HA LEU A 16 0.249 1.627 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.504 -1.167 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.022 -0.319 5.603 1.00 0.00 H new ATOM 0 HG LEU A 16 0.714 -0.851 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.647 -2.863 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.298 -2.999 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.442 -2.633 4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.476 -0.730 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.282 -0.457 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.145 0.754 2.954 1.00 0.00 H new ATOM 264 N VAL A 17 1.307 0.868 7.595 1.00 0.00 N ATOM 265 CA VAL A 17 1.275 1.277 9.001 1.00 0.00 C ATOM 266 C VAL A 17 1.712 2.762 9.163 1.00 0.00 C ATOM 267 O VAL A 17 1.255 3.469 10.068 1.00 0.00 O ATOM 268 CB VAL A 17 2.188 0.347 9.850 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.264 0.780 11.304 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.742 -1.108 9.766 1.00 0.00 C ATOM 0 H VAL A 17 1.953 0.103 7.400 1.00 0.00 H new ATOM 0 HA VAL A 17 0.249 1.188 9.359 1.00 0.00 H new ATOM 0 HB VAL A 17 3.186 0.433 9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.913 0.098 11.853 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.667 1.791 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.266 0.762 11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.404 -1.727 10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.721 -1.198 10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.782 -1.441 8.729 1.00 0.00 H new ATOM 280 N GLY A 18 2.510 3.237 8.232 1.00 0.00 N ATOM 281 CA GLY A 18 3.027 4.577 8.303 1.00 0.00 C ATOM 282 C GLY A 18 1.978 5.621 7.978 1.00 0.00 C ATOM 283 O GLY A 18 2.079 6.767 8.423 1.00 0.00 O ATOM 0 H GLY A 18 2.814 2.708 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.419 4.759 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.862 4.678 7.610 1.00 0.00 H new ATOM 287 N LEU A 19 0.967 5.238 7.220 1.00 0.00 N ATOM 288 CA LEU A 19 -0.081 6.174 6.836 1.00 0.00 C ATOM 289 C LEU A 19 -1.431 5.812 7.429 1.00 0.00 C ATOM 290 O LEU A 19 -2.449 6.246 6.918 1.00 0.00 O ATOM 291 CB LEU A 19 -0.204 6.313 5.304 1.00 0.00 C ATOM 292 CG LEU A 19 -0.388 5.034 4.498 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.135 5.311 3.227 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.941 4.460 4.140 1.00 0.00 C ATOM 0 H LEU A 19 0.847 4.292 6.858 1.00 0.00 H new ATOM 0 HA LEU A 19 0.222 7.136 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.048 6.969 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.691 6.816 4.938 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.953 4.331 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.256 4.384 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.116 5.722 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.577 6.029 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.799 3.546 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.500 5.181 3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.496 4.233 5.050 1.00 0.00 H new ATOM 306 N SER A 20 -1.425 5.035 8.523 1.00 0.00 N ATOM 307 CA SER A 20 -2.666 4.623 9.237 1.00 0.00 C ATOM 308 C SER A 20 -3.460 3.602 8.424 1.00 0.00 C ATOM 309 O SER A 20 -4.605 3.287 8.726 1.00 0.00 O ATOM 310 CB SER A 20 -3.528 5.854 9.592 1.00 0.00 C ATOM 311 OG SER A 20 -2.732 6.869 10.219 1.00 0.00 O ATOM 0 H SER A 20 -0.570 4.671 8.944 1.00 0.00 H new ATOM 0 HA SER A 20 -2.374 4.139 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.989 6.253 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.338 5.557 10.259 1.00 0.00 H new ATOM 0 HG SER A 20 -3.296 7.641 10.434 1.00 0.00 H new ATOM 317 N LEU A 21 -2.790 3.014 7.479 1.00 0.00 N ATOM 318 CA LEU A 21 -3.365 2.058 6.553 1.00 0.00 C ATOM 319 C LEU A 21 -3.024 0.654 6.973 1.00 0.00 C ATOM 320 O LEU A 21 -3.185 -0.283 6.202 1.00 0.00 O ATOM 321 CB LEU A 21 -2.858 2.319 5.129 1.00 0.00 C ATOM 322 CG LEU A 21 -3.651 3.286 4.221 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.784 2.565 3.563 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.192 4.485 4.982 1.00 0.00 C ATOM 0 H LEU A 21 -1.797 3.185 7.318 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.449 2.176 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.839 2.699 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.801 1.358 4.618 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.954 3.656 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.335 3.257 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.392 1.748 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.452 2.164 4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.741 5.133 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.860 4.143 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.364 5.041 5.422 1.00 0.00 H new ATOM 336 N ASP A 22 -2.562 0.498 8.221 1.00 0.00 N ATOM 337 CA ASP A 22 -2.289 -0.828 8.808 1.00 0.00 C ATOM 338 C ASP A 22 -3.524 -1.731 8.759 1.00 0.00 C ATOM 339 O ASP A 22 -3.423 -2.947 8.821 1.00 0.00 O ATOM 340 CB ASP A 22 -1.781 -0.713 10.250 1.00 0.00 C ATOM 341 CG ASP A 22 -2.751 -0.059 11.201 1.00 0.00 C ATOM 342 OD1 ASP A 22 -2.845 1.182 11.191 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.396 -0.767 12.009 1.00 0.00 O ATOM 0 H ASP A 22 -2.367 1.277 8.850 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.505 -1.283 8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.545 -1.711 10.620 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.851 -0.144 10.251 1.00 0.00 H new ATOM 348 N GLN A 23 -4.667 -1.110 8.606 1.00 0.00 N ATOM 349 CA GLN A 23 -5.947 -1.782 8.465 1.00 0.00 C ATOM 350 C GLN A 23 -6.033 -2.542 7.117 1.00 0.00 C ATOM 351 O GLN A 23 -6.770 -3.506 6.979 1.00 0.00 O ATOM 352 CB GLN A 23 -7.050 -0.720 8.579 1.00 0.00 C ATOM 353 CG GLN A 23 -6.985 0.360 7.518 1.00 0.00 C ATOM 354 CD GLN A 23 -7.623 1.647 7.961 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.569 1.671 8.749 1.00 0.00 O ATOM 356 NE2 GLN A 23 -7.080 2.715 7.499 1.00 0.00 N ATOM 0 H GLN A 23 -4.741 -0.093 8.574 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.068 -2.528 9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.021 -1.213 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.988 -0.252 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.943 0.546 7.258 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.480 0.006 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.298 2.649 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.431 3.630 7.783 1.00 0.00 H new ATOM 365 N TYR A 24 -5.244 -2.108 6.145 1.00 0.00 N ATOM 366 CA TYR A 24 -5.224 -2.719 4.830 1.00 0.00 C ATOM 367 C TYR A 24 -4.253 -3.896 4.772 1.00 0.00 C ATOM 368 O TYR A 24 -4.380 -4.761 3.900 1.00 0.00 O ATOM 369 CB TYR A 24 -4.882 -1.685 3.749 1.00 0.00 C ATOM 370 CG TYR A 24 -6.081 -1.134 2.971 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.923 -0.147 3.485 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.358 -1.616 1.699 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.997 0.326 2.745 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.425 -1.143 0.959 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.238 -0.178 1.478 1.00 0.00 C ATOM 376 OH TYR A 24 -9.316 0.270 0.726 1.00 0.00 O ATOM 0 H TYR A 24 -4.601 -1.323 6.249 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.225 -3.103 4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.360 -0.851 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.188 -2.139 3.042 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.736 0.253 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.723 -2.381 1.277 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.644 1.086 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.615 -1.537 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.328 -0.194 -0.137 1.00 0.00 H new ATOM 386 N VAL A 25 -3.309 -3.935 5.721 1.00 0.00 N ATOM 387 CA VAL A 25 -2.281 -5.018 5.807 1.00 0.00 C ATOM 388 C VAL A 25 -2.920 -6.403 5.793 1.00 0.00 C ATOM 389 O VAL A 25 -2.430 -7.316 5.107 1.00 0.00 O ATOM 390 CB VAL A 25 -1.353 -4.884 7.069 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.404 -6.053 7.190 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.596 -3.579 7.044 1.00 0.00 C ATOM 0 H VAL A 25 -3.223 -3.229 6.453 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.659 -4.899 4.920 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.996 -4.891 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.221 -5.924 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.975 -6.977 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.228 -6.102 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.039 -3.510 7.927 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.023 -3.534 6.148 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.302 -2.749 7.039 1.00 0.00 H new ATOM 402 N SER A 26 -4.042 -6.514 6.481 1.00 0.00 N ATOM 403 CA SER A 26 -4.785 -7.748 6.628 1.00 0.00 C ATOM 404 C SER A 26 -5.063 -8.426 5.269 1.00 0.00 C ATOM 405 O SER A 26 -4.980 -9.645 5.145 1.00 0.00 O ATOM 406 CB SER A 26 -6.079 -7.409 7.326 1.00 0.00 C ATOM 407 OG SER A 26 -5.813 -6.563 8.447 1.00 0.00 O ATOM 0 H SER A 26 -4.471 -5.726 6.965 1.00 0.00 H new ATOM 0 HA SER A 26 -4.199 -8.461 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.757 -6.910 6.634 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.575 -8.321 7.656 1.00 0.00 H new ATOM 0 HG SER A 26 -6.655 -6.343 8.898 1.00 0.00 H new ATOM 413 N GLU A 27 -5.338 -7.633 4.256 1.00 0.00 N ATOM 414 CA GLU A 27 -5.617 -8.176 2.952 1.00 0.00 C ATOM 415 C GLU A 27 -4.394 -8.003 2.034 1.00 0.00 C ATOM 416 O GLU A 27 -4.135 -8.842 1.188 1.00 0.00 O ATOM 417 CB GLU A 27 -6.857 -7.517 2.360 1.00 0.00 C ATOM 418 CG GLU A 27 -7.329 -8.099 1.030 1.00 0.00 C ATOM 419 CD GLU A 27 -7.847 -9.511 1.116 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.871 -9.734 1.792 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.292 -10.409 0.439 1.00 0.00 O ATOM 0 H GLU A 27 -5.373 -6.615 4.313 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.819 -9.243 3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.670 -7.595 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.654 -6.455 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.115 -7.461 0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.501 -8.071 0.321 1.00 0.00 H new ATOM 428 N PHE A 28 -3.619 -6.926 2.239 1.00 0.00 N ATOM 429 CA PHE A 28 -2.404 -6.656 1.441 1.00 0.00 C ATOM 430 C PHE A 28 -1.445 -7.837 1.463 1.00 0.00 C ATOM 431 O PHE A 28 -0.973 -8.301 0.414 1.00 0.00 O ATOM 432 CB PHE A 28 -1.686 -5.406 1.950 1.00 0.00 C ATOM 433 CG PHE A 28 -1.861 -4.182 1.090 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.072 -3.522 1.014 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.791 -3.682 0.371 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.209 -2.388 0.232 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.925 -2.554 -0.409 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.135 -1.908 -0.478 1.00 0.00 C ATOM 0 H PHE A 28 -3.810 -6.223 2.953 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.726 -6.492 0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.045 -5.181 2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.621 -5.625 2.034 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.920 -3.894 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.164 -4.183 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.161 -1.880 0.180 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.079 -2.178 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.242 -1.024 -1.089 1.00 0.00 H new ATOM 448 N SER A 29 -1.237 -8.379 2.639 1.00 0.00 N ATOM 449 CA SER A 29 -0.325 -9.482 2.804 1.00 0.00 C ATOM 450 C SER A 29 -0.958 -10.790 2.304 1.00 0.00 C ATOM 451 O SER A 29 -0.267 -11.757 2.013 1.00 0.00 O ATOM 452 CB SER A 29 0.086 -9.596 4.269 1.00 0.00 C ATOM 453 OG SER A 29 0.656 -8.370 4.736 1.00 0.00 O ATOM 0 H SER A 29 -1.690 -8.071 3.499 1.00 0.00 H new ATOM 0 HA SER A 29 0.567 -9.298 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.783 -9.852 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.807 -10.405 4.387 1.00 0.00 H new ATOM 0 HG SER A 29 0.911 -8.465 5.677 1.00 0.00 H new ATOM 459 N ALA A 30 -2.268 -10.789 2.148 1.00 0.00 N ATOM 460 CA ALA A 30 -2.981 -11.965 1.717 1.00 0.00 C ATOM 461 C ALA A 30 -2.869 -12.139 0.218 1.00 0.00 C ATOM 462 O ALA A 30 -2.737 -13.251 -0.273 1.00 0.00 O ATOM 463 CB ALA A 30 -4.433 -11.909 2.149 1.00 0.00 C ATOM 0 H ALA A 30 -2.860 -9.976 2.317 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.524 -12.832 2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.948 -12.808 1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.487 -11.847 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.909 -11.032 1.711 1.00 0.00 H new ATOM 469 N GLN A 31 -2.847 -11.037 -0.515 1.00 0.00 N ATOM 470 CA GLN A 31 -2.785 -11.135 -1.991 1.00 0.00 C ATOM 471 C GLN A 31 -1.354 -11.137 -2.447 1.00 0.00 C ATOM 472 O GLN A 31 -1.073 -11.164 -3.645 1.00 0.00 O ATOM 473 CB GLN A 31 -3.530 -10.004 -2.696 1.00 0.00 C ATOM 474 CG GLN A 31 -4.600 -9.364 -1.870 1.00 0.00 C ATOM 475 CD GLN A 31 -5.579 -8.549 -2.677 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.243 -7.967 -3.713 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.802 -8.530 -2.239 1.00 0.00 N ATOM 0 H GLN A 31 -2.870 -10.088 -0.142 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.276 -12.070 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.811 -9.241 -2.993 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.977 -10.394 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.144 -10.140 -1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.135 -8.722 -1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.043 -9.022 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.521 -8.023 -2.755 1.00 0.00 H new ATOM 486 N ASN A 32 -0.444 -11.107 -1.464 1.00 0.00 N ATOM 487 CA ASN A 32 0.994 -11.127 -1.700 1.00 0.00 C ATOM 488 C ASN A 32 1.403 -9.836 -2.382 1.00 0.00 C ATOM 489 O ASN A 32 2.354 -9.812 -3.180 1.00 0.00 O ATOM 490 CB ASN A 32 1.438 -12.349 -2.559 1.00 0.00 C ATOM 491 CG ASN A 32 1.156 -13.727 -1.977 1.00 0.00 C ATOM 492 OD1 ASN A 32 1.934 -14.654 -2.171 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.039 -13.895 -1.347 1.00 0.00 N ATOM 0 H ASN A 32 -0.694 -11.068 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 32 1.491 -11.220 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.945 -12.281 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.510 -12.268 -2.739 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.215 -14.819 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.588 -13.104 -1.201 1.00 0.00 H new ATOM 500 N ILE A 33 0.694 -8.754 -2.041 1.00 0.00 N ATOM 501 CA ILE A 33 0.951 -7.456 -2.625 1.00 0.00 C ATOM 502 C ILE A 33 2.346 -6.997 -2.222 1.00 0.00 C ATOM 503 O ILE A 33 2.641 -6.892 -1.046 1.00 0.00 O ATOM 504 CB ILE A 33 -0.085 -6.377 -2.154 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.522 -6.766 -2.548 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.262 -4.998 -2.733 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.761 -6.875 -4.047 1.00 0.00 C ATOM 0 H ILE A 33 -0.064 -8.764 -1.359 1.00 0.00 H new ATOM 0 HA ILE A 33 0.864 -7.559 -3.707 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.031 -6.328 -1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.766 -7.722 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.210 -6.027 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.470 -4.266 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.255 -4.701 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.248 -5.046 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.799 -7.153 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.553 -5.915 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.102 -7.636 -4.466 1.00 0.00 H new ATOM 519 N SER A 34 3.203 -6.796 -3.183 1.00 0.00 N ATOM 520 CA SER A 34 4.515 -6.302 -2.895 1.00 0.00 C ATOM 521 C SER A 34 4.607 -4.853 -3.343 1.00 0.00 C ATOM 522 O SER A 34 3.603 -4.273 -3.801 1.00 0.00 O ATOM 523 CB SER A 34 5.577 -7.150 -3.606 1.00 0.00 C ATOM 524 OG SER A 34 5.462 -7.082 -5.026 1.00 0.00 O ATOM 0 H SER A 34 3.015 -6.967 -4.171 1.00 0.00 H new ATOM 0 HA SER A 34 4.698 -6.364 -1.822 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.569 -6.811 -3.307 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.485 -8.188 -3.285 1.00 0.00 H new ATOM 0 HG SER A 34 4.531 -7.242 -5.287 1.00 0.00 H new ATOM 530 N GLY A 35 5.810 -4.292 -3.290 1.00 0.00 N ATOM 531 CA GLY A 35 6.035 -2.931 -3.698 1.00 0.00 C ATOM 532 C GLY A 35 5.768 -2.753 -5.166 1.00 0.00 C ATOM 533 O GLY A 35 5.456 -1.654 -5.619 1.00 0.00 O ATOM 0 H GLY A 35 6.647 -4.775 -2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.390 -2.265 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.064 -2.647 -3.476 1.00 0.00 H new ATOM 537 N GLU A 36 5.849 -3.862 -5.899 1.00 0.00 N ATOM 538 CA GLU A 36 5.557 -3.899 -7.311 1.00 0.00 C ATOM 539 C GLU A 36 4.122 -3.452 -7.541 1.00 0.00 C ATOM 540 O GLU A 36 3.854 -2.618 -8.392 1.00 0.00 O ATOM 541 CB GLU A 36 5.730 -5.315 -7.844 1.00 0.00 C ATOM 542 CG GLU A 36 5.514 -5.430 -9.339 1.00 0.00 C ATOM 543 CD GLU A 36 5.472 -6.852 -9.804 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.520 -7.408 -10.157 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.374 -7.430 -9.842 1.00 0.00 O ATOM 0 H GLU A 36 6.124 -4.766 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 36 6.243 -3.232 -7.833 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.733 -5.665 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.030 -5.975 -7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.580 -4.936 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.314 -4.904 -9.860 1.00 0.00 H new ATOM 552 N GLN A 37 3.206 -3.976 -6.740 1.00 0.00 N ATOM 553 CA GLN A 37 1.810 -3.637 -6.904 1.00 0.00 C ATOM 554 C GLN A 37 1.447 -2.420 -6.118 1.00 0.00 C ATOM 555 O GLN A 37 0.438 -1.793 -6.391 1.00 0.00 O ATOM 556 CB GLN A 37 0.819 -4.800 -6.617 1.00 0.00 C ATOM 557 CG GLN A 37 1.376 -6.063 -5.987 1.00 0.00 C ATOM 558 CD GLN A 37 2.363 -6.818 -6.850 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.224 -7.499 -6.327 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.277 -6.661 -8.149 1.00 0.00 N ATOM 0 H GLN A 37 3.405 -4.628 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 37 1.700 -3.421 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.034 -4.418 -5.964 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.345 -5.076 -7.559 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.862 -5.800 -5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.547 -6.727 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.538 -6.080 -8.545 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.949 -7.120 -8.764 1.00 0.00 H new ATOM 569 N LEU A 38 2.294 -2.084 -5.179 1.00 0.00 N ATOM 570 CA LEU A 38 2.116 -0.945 -4.309 1.00 0.00 C ATOM 571 C LEU A 38 2.291 0.344 -5.136 1.00 0.00 C ATOM 572 O LEU A 38 1.457 1.239 -5.093 1.00 0.00 O ATOM 573 CB LEU A 38 3.179 -1.036 -3.208 1.00 0.00 C ATOM 574 CG LEU A 38 2.924 -0.331 -1.881 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.109 -0.523 -0.967 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.654 1.133 -2.063 1.00 0.00 C ATOM 0 H LEU A 38 3.149 -2.607 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 38 1.123 -0.932 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.343 -2.092 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.111 -0.645 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 38 2.034 -0.776 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.923 -0.018 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.261 -1.587 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.000 -0.103 -1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.478 1.594 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.514 1.605 -2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.774 1.265 -2.692 1.00 0.00 H new ATOM 588 N LEU A 39 3.376 0.406 -5.897 1.00 0.00 N ATOM 589 CA LEU A 39 3.671 1.565 -6.745 1.00 0.00 C ATOM 590 C LEU A 39 2.555 1.787 -7.752 1.00 0.00 C ATOM 591 O LEU A 39 2.113 2.908 -7.969 1.00 0.00 O ATOM 592 CB LEU A 39 5.005 1.347 -7.474 1.00 0.00 C ATOM 593 CG LEU A 39 6.263 1.348 -6.597 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.397 0.619 -7.306 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.685 2.792 -6.276 1.00 0.00 C ATOM 0 H LEU A 39 4.074 -0.336 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 39 3.747 2.451 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.956 0.394 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.114 2.125 -8.230 1.00 0.00 H new ATOM 0 HG LEU A 39 6.040 0.831 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.285 0.626 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.100 -0.411 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.618 1.120 -8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.579 2.780 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.896 3.324 -7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.879 3.297 -5.744 1.00 0.00 H new ATOM 607 N GLN A 40 2.086 0.716 -8.326 1.00 0.00 N ATOM 608 CA GLN A 40 1.032 0.793 -9.329 1.00 0.00 C ATOM 609 C GLN A 40 -0.383 0.597 -8.754 1.00 0.00 C ATOM 610 O GLN A 40 -1.299 0.197 -9.469 1.00 0.00 O ATOM 611 CB GLN A 40 1.345 -0.150 -10.509 1.00 0.00 C ATOM 612 CG GLN A 40 1.548 -1.629 -10.175 1.00 0.00 C ATOM 613 CD GLN A 40 0.308 -2.468 -10.236 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.049 -2.971 -11.290 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.294 -2.708 -9.131 1.00 0.00 N ATOM 0 H GLN A 40 2.410 -0.230 -8.124 1.00 0.00 H new ATOM 0 HA GLN A 40 1.022 1.814 -9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.531 -0.073 -11.230 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.245 0.213 -11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.284 -2.044 -10.864 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.971 -1.705 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.030 -2.271 -8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.098 -3.336 -9.114 1.00 0.00 H new ATOM 624 N LEU A 41 -0.563 0.906 -7.481 1.00 0.00 N ATOM 625 CA LEU A 41 -1.873 0.848 -6.862 1.00 0.00 C ATOM 626 C LEU A 41 -2.826 1.881 -7.452 1.00 0.00 C ATOM 627 O LEU A 41 -2.398 2.871 -8.077 1.00 0.00 O ATOM 628 CB LEU A 41 -1.793 1.067 -5.372 1.00 0.00 C ATOM 629 CG LEU A 41 -1.399 -0.112 -4.514 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.158 0.376 -3.133 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.505 -1.155 -4.486 1.00 0.00 C ATOM 0 H LEU A 41 0.186 1.201 -6.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.257 -0.152 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.080 1.870 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.766 1.421 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.502 -0.572 -4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.872 -0.461 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.357 1.115 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.068 0.833 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.198 -1.994 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.413 -0.712 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.698 -1.508 -5.499 1.00 0.00 H new ATOM 643 N ASP A 42 -4.105 1.659 -7.239 1.00 0.00 N ATOM 644 CA ASP A 42 -5.160 2.543 -7.695 1.00 0.00 C ATOM 645 C ASP A 42 -6.437 2.101 -6.998 1.00 0.00 C ATOM 646 O ASP A 42 -6.401 1.090 -6.277 1.00 0.00 O ATOM 647 CB ASP A 42 -5.317 2.487 -9.231 1.00 0.00 C ATOM 648 CG ASP A 42 -6.284 3.525 -9.744 1.00 0.00 C ATOM 649 OD1 ASP A 42 -5.937 4.726 -9.734 1.00 0.00 O ATOM 650 OD2 ASP A 42 -7.404 3.178 -10.115 1.00 0.00 O ATOM 0 H ASP A 42 -4.449 0.843 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.924 3.579 -7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.344 2.636 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.663 1.495 -9.523 1.00 0.00 H new ATOM 655 N GLY A 43 -7.548 2.811 -7.207 1.00 0.00 N ATOM 656 CA GLY A 43 -8.803 2.486 -6.564 1.00 0.00 C ATOM 657 C GLY A 43 -9.261 1.098 -6.887 1.00 0.00 C ATOM 658 O GLY A 43 -9.741 0.402 -6.008 1.00 0.00 O ATOM 0 H GLY A 43 -7.593 3.621 -7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.693 2.589 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.565 3.200 -6.876 1.00 0.00 H new ATOM 662 N ASN A 44 -9.063 0.687 -8.142 1.00 0.00 N ATOM 663 CA ASN A 44 -9.417 -0.652 -8.615 1.00 0.00 C ATOM 664 C ASN A 44 -8.845 -1.706 -7.704 1.00 0.00 C ATOM 665 O ASN A 44 -9.557 -2.611 -7.239 1.00 0.00 O ATOM 666 CB ASN A 44 -8.882 -0.875 -10.019 1.00 0.00 C ATOM 667 CG ASN A 44 -9.549 -0.018 -11.073 1.00 0.00 C ATOM 668 OD1 ASN A 44 -9.122 1.096 -11.336 1.00 0.00 O ATOM 669 ND2 ASN A 44 -10.592 -0.522 -11.685 1.00 0.00 N ATOM 0 H ASN A 44 -8.650 1.279 -8.863 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.504 -0.728 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.811 -0.673 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.010 -1.925 -10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.072 0.019 -12.404 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.924 -1.455 -11.442 1.00 0.00 H new ATOM 676 N LYS A 45 -7.572 -1.551 -7.401 1.00 0.00 N ATOM 677 CA LYS A 45 -6.878 -2.469 -6.538 1.00 0.00 C ATOM 678 C LYS A 45 -7.416 -2.368 -5.118 1.00 0.00 C ATOM 679 O LYS A 45 -7.717 -3.360 -4.519 1.00 0.00 O ATOM 680 CB LYS A 45 -5.361 -2.226 -6.553 1.00 0.00 C ATOM 681 CG LYS A 45 -4.775 -2.070 -7.949 1.00 0.00 C ATOM 682 CD LYS A 45 -3.340 -2.578 -8.040 1.00 0.00 C ATOM 683 CE LYS A 45 -3.223 -4.083 -7.784 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.016 -4.898 -8.746 1.00 0.00 N ATOM 0 H LYS A 45 -6.995 -0.785 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.055 -3.476 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.141 -1.328 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.865 -3.057 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.395 -2.613 -8.663 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.804 -1.019 -8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.942 -2.351 -9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.724 -2.043 -7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.175 -4.376 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.557 -4.301 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.782 -5.904 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.031 -4.755 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.790 -4.605 -9.718 1.00 0.00 H new ATOM 698 N LEU A 46 -7.605 -1.148 -4.629 1.00 0.00 N ATOM 699 CA LEU A 46 -8.106 -0.891 -3.255 1.00 0.00 C ATOM 700 C LEU A 46 -9.482 -1.514 -3.029 1.00 0.00 C ATOM 701 O LEU A 46 -9.861 -1.869 -1.887 1.00 0.00 O ATOM 702 CB LEU A 46 -8.186 0.608 -3.008 1.00 0.00 C ATOM 703 CG LEU A 46 -6.870 1.369 -3.123 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.093 2.854 -2.940 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.863 0.850 -2.112 1.00 0.00 C ATOM 0 H LEU A 46 -7.419 -0.299 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.406 -1.350 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.895 1.037 -3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.593 0.772 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.467 1.206 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.141 3.378 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.777 3.216 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.521 3.039 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.930 1.405 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.259 0.980 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.676 -0.208 -2.295 1.00 0.00 H new ATOM 717 N LYS A 47 -10.225 -1.620 -4.100 1.00 0.00 N ATOM 718 CA LYS A 47 -11.520 -2.245 -4.096 1.00 0.00 C ATOM 719 C LYS A 47 -11.364 -3.766 -4.063 1.00 0.00 C ATOM 720 O LYS A 47 -12.138 -4.469 -3.415 1.00 0.00 O ATOM 721 CB LYS A 47 -12.315 -1.784 -5.321 1.00 0.00 C ATOM 722 CG LYS A 47 -12.674 -0.294 -5.287 1.00 0.00 C ATOM 723 CD LYS A 47 -12.895 0.282 -6.688 1.00 0.00 C ATOM 724 CE LYS A 47 -14.015 -0.405 -7.458 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.339 -0.158 -6.862 1.00 0.00 N ATOM 0 H LYS A 47 -9.941 -1.268 -5.014 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.072 -1.949 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.735 -1.990 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.232 -2.370 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.577 -0.153 -4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.876 0.259 -4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.122 1.345 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.969 0.198 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.012 -0.053 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.827 -1.478 -7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.068 -0.646 -7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.353 -0.517 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.532 0.864 -6.857 1.00 0.00 H new ATOM 739 N ALA A 48 -10.312 -4.249 -4.693 1.00 0.00 N ATOM 740 CA ALA A 48 -10.011 -5.673 -4.761 1.00 0.00 C ATOM 741 C ALA A 48 -9.392 -6.156 -3.453 1.00 0.00 C ATOM 742 O ALA A 48 -9.271 -7.346 -3.209 1.00 0.00 O ATOM 743 CB ALA A 48 -9.105 -5.986 -5.946 1.00 0.00 C ATOM 0 H ALA A 48 -9.633 -3.662 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.948 -6.210 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.897 -7.056 -5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.600 -5.690 -6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.169 -5.437 -5.844 1.00 0.00 H new ATOM 749 N LEU A 49 -8.994 -5.219 -2.613 1.00 0.00 N ATOM 750 CA LEU A 49 -8.525 -5.534 -1.277 1.00 0.00 C ATOM 751 C LEU A 49 -9.730 -5.804 -0.363 1.00 0.00 C ATOM 752 O LEU A 49 -9.584 -6.054 0.824 1.00 0.00 O ATOM 753 CB LEU A 49 -7.645 -4.397 -0.690 1.00 0.00 C ATOM 754 CG LEU A 49 -6.111 -4.393 -1.000 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.435 -5.629 -0.486 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.798 -4.220 -2.459 1.00 0.00 C ATOM 0 H LEU A 49 -8.987 -4.224 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.901 -6.426 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.055 -3.449 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.762 -4.415 0.394 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.718 -3.523 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.372 -5.587 -0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.565 -5.692 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.876 -6.508 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.718 -4.226 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.244 -5.037 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.205 -3.271 -2.808 1.00 0.00 H new ATOM 768 N GLY A 50 -10.934 -5.660 -0.928 1.00 0.00 N ATOM 769 CA GLY A 50 -12.172 -5.959 -0.217 1.00 0.00 C ATOM 770 C GLY A 50 -12.504 -4.946 0.848 1.00 0.00 C ATOM 771 O GLY A 50 -13.521 -5.043 1.507 1.00 0.00 O ATOM 0 H GLY A 50 -11.072 -5.335 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.992 -6.006 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.092 -6.945 0.241 1.00 0.00 H new ATOM 775 N MET A 51 -11.652 -3.966 1.000 1.00 0.00 N ATOM 776 CA MET A 51 -11.823 -2.964 2.017 1.00 0.00 C ATOM 777 C MET A 51 -12.719 -1.857 1.548 1.00 0.00 C ATOM 778 O MET A 51 -13.688 -1.517 2.208 1.00 0.00 O ATOM 779 CB MET A 51 -10.502 -2.414 2.437 1.00 0.00 C ATOM 780 CG MET A 51 -9.623 -3.382 3.227 1.00 0.00 C ATOM 781 SD MET A 51 -10.393 -3.961 4.751 1.00 0.00 S ATOM 782 CE MET A 51 -9.133 -5.085 5.359 1.00 0.00 C ATOM 0 H MET A 51 -10.821 -3.841 0.422 1.00 0.00 H new ATOM 0 HA MET A 51 -12.296 -3.441 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.958 -2.096 1.548 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.672 -1.524 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.385 -4.241 2.599 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.680 -2.892 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.255 -5.221 6.434 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.232 -6.048 4.858 1.00 0.00 H new ATOM 0 HE3 MET A 51 -8.146 -4.670 5.155 1.00 0.00 H new ATOM 792 N THR A 52 -12.365 -1.281 0.396 1.00 0.00 N ATOM 793 CA THR A 52 -13.165 -0.262 -0.312 1.00 0.00 C ATOM 794 C THR A 52 -13.482 0.970 0.578 1.00 0.00 C ATOM 795 O THR A 52 -14.422 1.714 0.315 1.00 0.00 O ATOM 796 CB THR A 52 -14.485 -0.920 -0.859 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.422 -1.188 0.203 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.134 -2.251 -1.496 1.00 0.00 C ATOM 0 H THR A 52 -11.496 -1.511 -0.086 1.00 0.00 H new ATOM 0 HA THR A 52 -12.571 0.111 -1.147 1.00 0.00 H new ATOM 0 HB THR A 52 -14.936 -0.229 -1.571 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.007 -0.978 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.039 -2.720 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.433 -2.089 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.677 -2.902 -0.751 1.00 0.00 H new ATOM 806 N SER A 53 -12.639 1.202 1.560 1.00 0.00 N ATOM 807 CA SER A 53 -12.842 2.229 2.551 1.00 0.00 C ATOM 808 C SER A 53 -12.722 3.627 1.932 1.00 0.00 C ATOM 809 O SER A 53 -11.724 3.936 1.279 1.00 0.00 O ATOM 810 CB SER A 53 -11.828 2.022 3.660 1.00 0.00 C ATOM 811 OG SER A 53 -11.952 2.976 4.670 1.00 0.00 O ATOM 0 H SER A 53 -11.778 0.671 1.692 1.00 0.00 H new ATOM 0 HA SER A 53 -13.850 2.158 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.955 1.026 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.822 2.065 3.243 1.00 0.00 H new ATOM 0 HG SER A 53 -11.062 3.291 4.934 1.00 0.00 H new ATOM 817 N SER A 54 -13.734 4.458 2.160 1.00 0.00 N ATOM 818 CA SER A 54 -13.827 5.790 1.570 1.00 0.00 C ATOM 819 C SER A 54 -12.625 6.683 1.916 1.00 0.00 C ATOM 820 O SER A 54 -12.079 7.356 1.027 1.00 0.00 O ATOM 821 CB SER A 54 -15.130 6.452 2.001 1.00 0.00 C ATOM 822 OG SER A 54 -16.243 5.618 1.702 1.00 0.00 O ATOM 0 H SER A 54 -14.521 4.224 2.766 1.00 0.00 H new ATOM 0 HA SER A 54 -13.816 5.668 0.487 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.102 6.659 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.241 7.410 1.494 1.00 0.00 H new ATOM 0 HG SER A 54 -17.069 6.060 1.988 1.00 0.00 H new ATOM 828 N GLN A 55 -12.209 6.671 3.191 1.00 0.00 N ATOM 829 CA GLN A 55 -11.051 7.446 3.643 1.00 0.00 C ATOM 830 C GLN A 55 -9.830 7.025 2.875 1.00 0.00 C ATOM 831 O GLN A 55 -9.157 7.833 2.217 1.00 0.00 O ATOM 832 CB GLN A 55 -10.763 7.168 5.122 1.00 0.00 C ATOM 833 CG GLN A 55 -9.442 7.772 5.601 1.00 0.00 C ATOM 834 CD GLN A 55 -8.974 7.202 6.912 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.308 7.709 7.975 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.199 6.137 6.861 1.00 0.00 N ATOM 0 H GLN A 55 -12.661 6.130 3.928 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.275 8.501 3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.578 7.567 5.726 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.743 6.091 5.286 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -8.676 7.603 4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.558 8.851 5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.939 5.738 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.860 5.711 7.724 1.00 0.00 H new ATOM 845 N ASP A 56 -9.583 5.748 2.938 1.00 0.00 N ATOM 846 CA ASP A 56 -8.408 5.154 2.407 1.00 0.00 C ATOM 847 C ASP A 56 -8.326 5.345 0.925 1.00 0.00 C ATOM 848 O ASP A 56 -7.290 5.702 0.420 1.00 0.00 O ATOM 849 CB ASP A 56 -8.338 3.711 2.837 1.00 0.00 C ATOM 850 CG ASP A 56 -8.351 3.629 4.357 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.427 4.143 4.991 1.00 0.00 O ATOM 852 OD2 ASP A 56 -9.344 3.153 4.923 1.00 0.00 O ATOM 0 H ASP A 56 -10.217 5.079 3.375 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.526 5.653 2.809 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.182 3.157 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.432 3.248 2.446 1.00 0.00 H new ATOM 857 N ARG A 57 -9.464 5.249 0.248 1.00 0.00 N ATOM 858 CA ARG A 57 -9.563 5.477 -1.211 1.00 0.00 C ATOM 859 C ARG A 57 -9.049 6.860 -1.637 1.00 0.00 C ATOM 860 O ARG A 57 -8.847 7.109 -2.820 1.00 0.00 O ATOM 861 CB ARG A 57 -11.001 5.309 -1.684 1.00 0.00 C ATOM 862 CG ARG A 57 -11.488 3.877 -1.780 1.00 0.00 C ATOM 863 CD ARG A 57 -10.881 3.159 -2.974 1.00 0.00 C ATOM 864 NE ARG A 57 -11.209 3.845 -4.248 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.408 3.860 -4.887 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.482 3.304 -4.347 1.00 0.00 N ATOM 867 NH2 ARG A 57 -12.529 4.503 -6.037 1.00 0.00 N ATOM 0 H ARG A 57 -10.354 5.011 0.686 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.924 4.728 -1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.656 5.853 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.101 5.776 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.232 3.343 -0.865 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.575 3.866 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.799 3.107 -2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.248 2.133 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.451 4.362 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.419 2.853 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.372 3.327 -4.844 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.725 4.984 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.427 4.518 -6.521 1.00 0.00 H new ATOM 881 N ALA A 58 -8.897 7.758 -0.700 1.00 0.00 N ATOM 882 CA ALA A 58 -8.333 9.050 -0.989 1.00 0.00 C ATOM 883 C ALA A 58 -6.935 9.157 -0.396 1.00 0.00 C ATOM 884 O ALA A 58 -6.008 9.659 -1.038 1.00 0.00 O ATOM 885 CB ALA A 58 -9.221 10.145 -0.446 1.00 0.00 C ATOM 0 H ALA A 58 -9.158 7.617 0.276 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.263 9.167 -2.070 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.781 11.116 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.206 10.077 -0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.317 10.033 0.634 1.00 0.00 H new ATOM 891 N LEU A 59 -6.772 8.612 0.795 1.00 0.00 N ATOM 892 CA LEU A 59 -5.535 8.745 1.541 1.00 0.00 C ATOM 893 C LEU A 59 -4.405 7.898 0.984 1.00 0.00 C ATOM 894 O LEU A 59 -3.323 8.418 0.685 1.00 0.00 O ATOM 895 CB LEU A 59 -5.710 8.431 3.016 1.00 0.00 C ATOM 896 CG LEU A 59 -4.450 8.682 3.827 1.00 0.00 C ATOM 897 CD1 LEU A 59 -4.065 10.134 3.759 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.579 8.240 5.251 1.00 0.00 C ATOM 0 H LEU A 59 -7.491 8.067 1.271 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.261 9.794 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.522 9.038 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.006 7.388 3.128 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.660 8.077 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.161 10.298 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.881 10.413 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.874 10.744 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.649 8.444 5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.395 8.783 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.787 7.171 5.283 1.00 0.00 H new ATOM 910 N VAL A 60 -4.629 6.599 0.846 1.00 0.00 N ATOM 911 CA VAL A 60 -3.598 5.726 0.315 1.00 0.00 C ATOM 912 C VAL A 60 -3.291 6.094 -1.136 1.00 0.00 C ATOM 913 O VAL A 60 -2.178 5.973 -1.594 1.00 0.00 O ATOM 914 CB VAL A 60 -3.923 4.197 0.484 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.225 3.811 -0.120 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.853 3.367 -0.112 1.00 0.00 C ATOM 0 H VAL A 60 -5.503 6.134 1.091 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.701 5.889 0.912 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.986 4.019 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.393 2.744 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.028 4.375 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.210 4.030 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.097 2.312 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.766 3.593 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.906 3.583 0.383 1.00 0.00 H new ATOM 926 N LYS A 61 -4.269 6.690 -1.778 1.00 0.00 N ATOM 927 CA LYS A 61 -4.165 7.133 -3.169 1.00 0.00 C ATOM 928 C LYS A 61 -3.240 8.323 -3.282 1.00 0.00 C ATOM 929 O LYS A 61 -2.643 8.569 -4.317 1.00 0.00 O ATOM 930 CB LYS A 61 -5.546 7.456 -3.734 1.00 0.00 C ATOM 931 CG LYS A 61 -6.246 6.275 -4.414 1.00 0.00 C ATOM 932 CD LYS A 61 -5.594 5.913 -5.760 1.00 0.00 C ATOM 933 CE LYS A 61 -5.769 7.026 -6.787 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.119 6.722 -8.087 1.00 0.00 N ATOM 0 H LYS A 61 -5.175 6.888 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.741 6.321 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.179 7.821 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.449 8.268 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.218 5.408 -3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.296 6.520 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.532 5.720 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.035 4.992 -6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.833 7.198 -6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.354 7.951 -6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.198 7.547 -8.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.115 6.501 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.588 5.905 -8.527 1.00 0.00 H new ATOM 948 N LYS A 62 -3.110 9.013 -2.191 1.00 0.00 N ATOM 949 CA LYS A 62 -2.246 10.158 -2.083 1.00 0.00 C ATOM 950 C LYS A 62 -0.854 9.691 -1.698 1.00 0.00 C ATOM 951 O LYS A 62 0.144 10.150 -2.219 1.00 0.00 O ATOM 952 CB LYS A 62 -2.816 11.105 -1.024 1.00 0.00 C ATOM 953 CG LYS A 62 -1.894 12.228 -0.587 1.00 0.00 C ATOM 954 CD LYS A 62 -2.579 13.134 0.435 1.00 0.00 C ATOM 955 CE LYS A 62 -3.711 13.947 -0.187 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.207 14.923 -1.178 1.00 0.00 N ATOM 0 H LYS A 62 -3.611 8.795 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.185 10.688 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.736 11.544 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.087 10.519 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.985 11.809 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.594 12.815 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.974 12.527 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.843 13.811 0.870 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.420 13.274 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.254 14.474 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.956 15.609 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.385 15.424 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.925 14.423 -2.045 1.00 0.00 H new ATOM 970 N LYS A 63 -0.811 8.749 -0.809 1.00 0.00 N ATOM 971 CA LYS A 63 0.439 8.235 -0.325 1.00 0.00 C ATOM 972 C LYS A 63 1.155 7.372 -1.351 1.00 0.00 C ATOM 973 O LYS A 63 2.367 7.363 -1.404 1.00 0.00 O ATOM 974 CB LYS A 63 0.225 7.432 0.918 1.00 0.00 C ATOM 975 CG LYS A 63 1.123 7.849 2.067 1.00 0.00 C ATOM 976 CD LYS A 63 0.799 9.249 2.565 1.00 0.00 C ATOM 977 CE LYS A 63 -0.622 9.365 3.134 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.833 10.713 3.702 1.00 0.00 N ATOM 0 H LYS A 63 -1.636 8.313 -0.397 1.00 0.00 H new ATOM 0 HA LYS A 63 1.068 9.100 -0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.816 7.526 1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.398 6.379 0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.016 7.139 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.164 7.810 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.518 9.531 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.916 9.957 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.353 9.174 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.777 8.609 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.159 10.628 4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.061 11.243 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.550 11.217 3.142 1.00 0.00 H new ATOM 992 N LEU A 64 0.409 6.647 -2.151 1.00 0.00 N ATOM 993 CA LEU A 64 1.007 5.755 -3.130 1.00 0.00 C ATOM 994 C LEU A 64 1.632 6.535 -4.284 1.00 0.00 C ATOM 995 O LEU A 64 2.558 6.064 -4.937 1.00 0.00 O ATOM 996 CB LEU A 64 -0.016 4.707 -3.613 1.00 0.00 C ATOM 997 CG LEU A 64 -1.135 5.159 -4.572 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.677 5.148 -6.027 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.372 4.308 -4.383 1.00 0.00 C ATOM 0 H LEU A 64 -0.611 6.653 -2.147 1.00 0.00 H new ATOM 0 HA LEU A 64 1.819 5.212 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.537 3.905 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.489 4.275 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.385 6.191 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.496 5.473 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.169 5.825 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.376 4.138 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.151 4.642 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.131 3.265 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.726 4.404 -3.357 1.00 0.00 H new ATOM 1011 N LYS A 65 1.146 7.736 -4.512 1.00 0.00 N ATOM 1012 CA LYS A 65 1.679 8.558 -5.599 1.00 0.00 C ATOM 1013 C LYS A 65 2.938 9.320 -5.158 1.00 0.00 C ATOM 1014 O LYS A 65 3.643 9.918 -5.979 1.00 0.00 O ATOM 1015 CB LYS A 65 0.616 9.518 -6.156 1.00 0.00 C ATOM 1016 CG LYS A 65 0.132 10.560 -5.163 1.00 0.00 C ATOM 1017 CD LYS A 65 -1.022 11.385 -5.708 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.628 12.207 -6.920 1.00 0.00 C ATOM 1019 NZ LYS A 65 -1.783 12.928 -7.484 1.00 0.00 N ATOM 0 H LYS A 65 0.395 8.168 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 65 1.965 7.883 -6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.025 10.027 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.239 8.935 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.181 10.065 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.958 11.222 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.844 10.721 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.390 12.050 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.146 12.921 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.199 11.554 -7.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.478 13.480 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.511 12.244 -7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.176 13.569 -6.766 1.00 0.00 H new ATOM 1033 N GLU A 66 3.227 9.280 -3.870 1.00 0.00 N ATOM 1034 CA GLU A 66 4.416 9.940 -3.327 1.00 0.00 C ATOM 1035 C GLU A 66 5.271 8.878 -2.681 1.00 0.00 C ATOM 1036 O GLU A 66 6.287 9.147 -2.067 1.00 0.00 O ATOM 1037 CB GLU A 66 4.017 10.961 -2.260 1.00 0.00 C ATOM 1038 CG GLU A 66 3.384 10.305 -1.049 1.00 0.00 C ATOM 1039 CD GLU A 66 3.020 11.265 0.043 1.00 0.00 C ATOM 1040 OE1 GLU A 66 1.962 11.893 -0.022 1.00 0.00 O ATOM 1041 OE2 GLU A 66 3.814 11.419 1.001 1.00 0.00 O ATOM 0 H GLU A 66 2.658 8.798 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 66 4.951 10.455 -4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.898 11.522 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.318 11.679 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.487 9.772 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.073 9.561 -0.650 1.00 0.00 H new ATOM 1048 N MET A 67 4.862 7.665 -2.888 1.00 0.00 N ATOM 1049 CA MET A 67 5.386 6.496 -2.229 1.00 0.00 C ATOM 1050 C MET A 67 6.849 6.323 -2.514 1.00 0.00 C ATOM 1051 O MET A 67 7.589 5.885 -1.694 1.00 0.00 O ATOM 1052 CB MET A 67 4.592 5.322 -2.714 1.00 0.00 C ATOM 1053 CG MET A 67 4.301 4.286 -1.683 1.00 0.00 C ATOM 1054 SD MET A 67 5.653 3.182 -1.365 1.00 0.00 S ATOM 1055 CE MET A 67 5.781 2.469 -2.985 1.00 0.00 C ATOM 0 H MET A 67 4.119 7.446 -3.551 1.00 0.00 H new ATOM 0 HA MET A 67 5.296 6.594 -1.147 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.647 5.685 -3.119 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.132 4.852 -3.536 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.024 4.782 -0.753 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.437 3.703 -2.003 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.925 1.392 -2.898 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.867 2.669 -3.544 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.630 2.907 -3.509 1.00 0.00 H new ATOM 1065 N LYS A 68 7.255 6.744 -3.655 1.00 0.00 N ATOM 1066 CA LYS A 68 8.655 6.670 -4.044 1.00 0.00 C ATOM 1067 C LYS A 68 9.562 7.624 -3.233 1.00 0.00 C ATOM 1068 O LYS A 68 10.783 7.478 -3.228 1.00 0.00 O ATOM 1069 CB LYS A 68 8.804 6.843 -5.545 1.00 0.00 C ATOM 1070 CG LYS A 68 8.228 8.127 -6.108 1.00 0.00 C ATOM 1071 CD LYS A 68 8.214 8.084 -7.628 1.00 0.00 C ATOM 1072 CE LYS A 68 7.614 9.341 -8.241 1.00 0.00 C ATOM 1073 NZ LYS A 68 6.220 9.605 -7.776 1.00 0.00 N ATOM 0 H LYS A 68 6.643 7.153 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 68 9.010 5.670 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.864 6.798 -5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.323 6.000 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.215 8.273 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.819 8.977 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.233 7.956 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.645 7.215 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.243 10.196 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.618 9.247 -9.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.796 10.356 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.654 8.737 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.237 9.906 -6.781 1.00 0.00 H new ATOM 1087 N MET A 69 8.974 8.592 -2.557 1.00 0.00 N ATOM 1088 CA MET A 69 9.740 9.461 -1.661 1.00 0.00 C ATOM 1089 C MET A 69 9.318 9.199 -0.222 1.00 0.00 C ATOM 1090 O MET A 69 9.969 9.635 0.727 1.00 0.00 O ATOM 1091 CB MET A 69 9.560 10.962 -1.990 1.00 0.00 C ATOM 1092 CG MET A 69 8.150 11.507 -1.767 1.00 0.00 C ATOM 1093 SD MET A 69 7.992 13.272 -2.119 1.00 0.00 S ATOM 1094 CE MET A 69 9.083 13.968 -0.872 1.00 0.00 C ATOM 0 H MET A 69 7.977 8.802 -2.605 1.00 0.00 H new ATOM 0 HA MET A 69 10.795 9.225 -1.800 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.257 11.538 -1.381 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.836 11.126 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.453 10.956 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.858 11.324 -0.733 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.846 15.022 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.947 13.435 0.069 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.118 13.869 -1.198 1.00 0.00 H new ATOM 1104 N SER A 70 8.244 8.464 -0.066 1.00 0.00 N ATOM 1105 CA SER A 70 7.700 8.211 1.245 1.00 0.00 C ATOM 1106 C SER A 70 7.925 6.778 1.720 1.00 0.00 C ATOM 1107 O SER A 70 7.706 6.479 2.886 1.00 0.00 O ATOM 1108 CB SER A 70 6.236 8.635 1.313 1.00 0.00 C ATOM 1109 OG SER A 70 6.133 10.050 1.107 1.00 0.00 O ATOM 0 H SER A 70 7.729 8.030 -0.832 1.00 0.00 H new ATOM 0 HA SER A 70 8.254 8.830 1.951 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.658 8.105 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.814 8.367 2.282 1.00 0.00 H new ATOM 0 HG SER A 70 5.200 10.330 1.217 1.00 0.00 H new ATOM 1115 N LEU A 71 8.371 5.898 0.812 1.00 0.00 N ATOM 1116 CA LEU A 71 8.767 4.521 1.147 1.00 0.00 C ATOM 1117 C LEU A 71 9.810 4.499 2.239 1.00 0.00 C ATOM 1118 O LEU A 71 9.870 3.589 3.059 1.00 0.00 O ATOM 1119 CB LEU A 71 9.274 3.805 -0.125 1.00 0.00 C ATOM 1120 CG LEU A 71 10.491 4.386 -0.935 1.00 0.00 C ATOM 1121 CD1 LEU A 71 11.839 4.081 -0.279 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.486 3.854 -2.359 1.00 0.00 C ATOM 0 H LEU A 71 8.468 6.121 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 71 7.896 3.989 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.535 2.786 0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.432 3.737 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 71 10.368 5.469 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.641 4.506 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.865 4.518 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.972 3.002 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.335 4.266 -2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.560 2.767 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.560 4.147 -2.854 1.00 0.00 H new ATOM 1134 N GLU A 72 10.608 5.527 2.233 1.00 0.00 N ATOM 1135 CA GLU A 72 11.659 5.726 3.177 1.00 0.00 C ATOM 1136 C GLU A 72 11.106 6.004 4.572 1.00 0.00 C ATOM 1137 O GLU A 72 11.685 5.618 5.590 1.00 0.00 O ATOM 1138 CB GLU A 72 12.510 6.901 2.692 1.00 0.00 C ATOM 1139 CG GLU A 72 13.237 7.658 3.785 1.00 0.00 C ATOM 1140 CD GLU A 72 14.120 8.739 3.243 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.251 8.449 2.789 1.00 0.00 O ATOM 1142 OE2 GLU A 72 13.696 9.911 3.239 1.00 0.00 O ATOM 0 H GLU A 72 10.539 6.275 1.543 1.00 0.00 H new ATOM 0 HA GLU A 72 12.264 4.822 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.245 6.528 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.868 7.598 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.508 8.096 4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.838 6.960 4.368 1.00 0.00 H new ATOM 1149 N LYS A 73 9.945 6.593 4.609 1.00 0.00 N ATOM 1150 CA LYS A 73 9.413 7.118 5.842 1.00 0.00 C ATOM 1151 C LYS A 73 8.423 6.142 6.450 1.00 0.00 C ATOM 1152 O LYS A 73 7.523 6.520 7.224 1.00 0.00 O ATOM 1153 CB LYS A 73 8.749 8.464 5.572 1.00 0.00 C ATOM 1154 CG LYS A 73 9.632 9.434 4.795 1.00 0.00 C ATOM 1155 CD LYS A 73 8.936 10.760 4.521 1.00 0.00 C ATOM 1156 CE LYS A 73 8.710 11.557 5.795 1.00 0.00 C ATOM 1157 NZ LYS A 73 9.982 11.872 6.480 1.00 0.00 N ATOM 0 H LYS A 73 9.343 6.724 3.796 1.00 0.00 H new ATOM 0 HA LYS A 73 10.225 7.259 6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.826 8.300 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.471 8.920 6.522 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.548 9.617 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.924 8.978 3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.536 11.348 3.827 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.978 10.573 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.187 12.483 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.065 10.991 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.831 12.651 7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.317 11.032 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.694 12.155 5.777 1.00 0.00 H new ATOM 1171 N ALA A 74 8.615 4.920 6.122 1.00 0.00 N ATOM 1172 CA ALA A 74 7.789 3.850 6.541 1.00 0.00 C ATOM 1173 C ALA A 74 8.514 3.071 7.606 1.00 0.00 C ATOM 1174 O ALA A 74 9.557 2.470 7.284 1.00 0.00 O ATOM 1175 CB ALA A 74 7.508 2.992 5.350 1.00 0.00 C ATOM 1176 OXT ALA A 74 8.067 3.064 8.770 1.00 0.00 O ATOM 0 H ALA A 74 9.388 4.624 5.526 1.00 0.00 H new ATOM 0 HA ALA A 74 6.847 4.210 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.872 2.157 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.001 3.583 4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.446 2.609 4.948 1.00 0.00 H new TER 1182 ALA A 74