USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 965 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 46 SER OG : rot 109:sc= 0.618 USER MOD Set 1.2: A 98 GLN : amide:sc= 0.729 K(o=1.3,f=0.041) USER MOD Set 2.1: A 18 GLN :FLIP amide:sc= -0.0305 F(o=-1.1,f=-0.031) USER MOD Set 2.2: A 97 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 106 ASN : amide:sc= -0.0844 K(o=-0.084,f=-6.7!) USER MOD Set 3.3: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 8 GLN : amide:sc= -0.667 K(o=0.82,f=-17!) USER MOD Set 4.2: A 12 LYS NZ :NH3+ -113:sc= 1.49 (180deg=0.201) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.874 (180deg=-0.688!) USER MOD Single : A 1 SER OG : rot -104:sc= 0.0816 USER MOD Single : A 2 MET CE :methyl 176:sc= -0.96 (180deg=-1.03) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.195 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.24 (180deg=0.107) USER MOD Single : A 26 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.22) USER MOD Single : A 28 SER OG : rot -159:sc= 0.954 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 173:sc=-0.00789 (180deg=-0.0817) USER MOD Single : A 34 ASN : amide:sc= -0.268 K(o=-0.27,f=-4.5!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 75:sc= 0.643 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0776 USER MOD Single : A 59 CYS SG : rot -73:sc= -0.545! USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0.938 (180deg=0.829) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.991 F(o=-2.4!,f=-0.99) USER MOD Single : A 72 ASN : amide:sc= -1.2! C(o=-1.2!,f=-0.97!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= -0.0327 (180deg=-0.244) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.415 USER MOD Single : A 86 HIS : no HE2:sc= -2.35 X(o=-2.3,f=-1.9) USER MOD Single : A 87 TYR OH : rot -62:sc= 1.01 USER MOD Single : A 92 TYR OH : rot -108:sc= 2.11 USER MOD Single : A 94 TYR OH : rot -118:sc= 1.04 USER MOD Single : A 99 SER OG : rot 160:sc= 0.799 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.151 F(o=-2.1!,f=-0.15) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.5) USER MOD Single : A 115 LYS NZ :NH3+ 168:sc= 1.78 (180deg=1.02) USER MOD Single : A 117 LYS NZ :NH3+ 161:sc= 1.13 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.116 14.223 -2.585 1.00 0.00 N ATOM 2 CA SER A 1 4.212 13.971 -4.036 1.00 0.00 C ATOM 3 C SER A 1 5.043 12.715 -4.292 1.00 0.00 C ATOM 4 O SER A 1 5.456 12.034 -3.353 1.00 0.00 O ATOM 5 CB SER A 1 4.838 15.182 -4.744 1.00 0.00 C ATOM 6 OG SER A 1 4.836 15.012 -6.155 1.00 0.00 O ATOM 0 H1 SER A 1 3.124 14.140 -2.283 1.00 0.00 H new ATOM 0 H2 SER A 1 4.693 13.526 -2.073 1.00 0.00 H new ATOM 0 H3 SER A 1 4.463 15.181 -2.375 1.00 0.00 H new ATOM 0 HA SER A 1 3.210 13.816 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.285 16.084 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.861 15.322 -4.394 1.00 0.00 H new ATOM 0 HG SER A 1 5.740 14.784 -6.458 1.00 0.00 H new ATOM 14 N MET A 2 5.298 12.417 -5.561 1.00 0.00 N ATOM 15 CA MET A 2 6.052 11.222 -5.932 1.00 0.00 C ATOM 16 C MET A 2 7.554 11.467 -5.781 1.00 0.00 C ATOM 17 O MET A 2 8.360 10.540 -5.880 1.00 0.00 O ATOM 18 CB MET A 2 5.721 10.807 -7.373 1.00 0.00 C ATOM 19 CG MET A 2 4.231 10.587 -7.627 1.00 0.00 C ATOM 20 SD MET A 2 3.498 9.354 -6.529 1.00 0.00 S ATOM 21 CE MET A 2 4.384 7.873 -7.011 1.00 0.00 C ATOM 0 H MET A 2 4.994 12.986 -6.351 1.00 0.00 H new ATOM 0 HA MET A 2 5.765 10.412 -5.262 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.086 11.575 -8.055 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.259 9.889 -7.609 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.704 11.533 -7.504 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.087 10.275 -8.661 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.086 7.045 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.149 7.630 -8.047 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.456 8.042 -6.912 1.00 0.00 H new ATOM 31 N ASN A 3 7.916 12.724 -5.528 1.00 0.00 N ATOM 32 CA ASN A 3 9.315 13.119 -5.369 1.00 0.00 C ATOM 33 C ASN A 3 9.939 12.445 -4.147 1.00 0.00 C ATOM 34 O ASN A 3 11.075 11.959 -4.203 1.00 0.00 O ATOM 35 CB ASN A 3 9.425 14.646 -5.246 1.00 0.00 C ATOM 36 CG ASN A 3 10.865 15.125 -5.164 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.428 15.258 -4.079 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.473 15.384 -6.313 1.00 0.00 N ATOM 0 H ASN A 3 7.253 13.493 -5.428 1.00 0.00 H new ATOM 0 HA ASN A 3 9.862 12.794 -6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 3 8.940 15.111 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.886 14.975 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.441 15.706 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.973 15.262 -7.194 1.00 0.00 H new ATOM 45 N GLU A 4 9.183 12.402 -3.052 1.00 0.00 N ATOM 46 CA GLU A 4 9.651 11.761 -1.824 1.00 0.00 C ATOM 47 C GLU A 4 10.028 10.307 -2.107 1.00 0.00 C ATOM 48 O GLU A 4 10.960 9.765 -1.513 1.00 0.00 O ATOM 49 CB GLU A 4 8.590 11.823 -0.711 1.00 0.00 C ATOM 50 CG GLU A 4 8.138 13.236 -0.334 1.00 0.00 C ATOM 51 CD GLU A 4 6.950 13.721 -1.155 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.151 14.225 -2.281 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.802 13.590 -0.677 1.00 0.00 O ATOM 0 H GLU A 4 8.247 12.802 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 4 10.529 12.305 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.718 11.250 -1.027 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.988 11.334 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.874 13.257 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.971 13.926 -0.468 1.00 0.00 H new ATOM 60 N LEU A 5 9.297 9.690 -3.031 1.00 0.00 N ATOM 61 CA LEU A 5 9.591 8.328 -3.463 1.00 0.00 C ATOM 62 C LEU A 5 10.872 8.317 -4.298 1.00 0.00 C ATOM 63 O LEU A 5 11.809 7.571 -4.006 1.00 0.00 O ATOM 64 CB LEU A 5 8.414 7.764 -4.279 1.00 0.00 C ATOM 65 CG LEU A 5 8.587 6.320 -4.787 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.685 5.337 -3.622 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.443 5.936 -5.726 1.00 0.00 C ATOM 0 H LEU A 5 8.494 10.114 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 5 9.736 7.698 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.515 7.809 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.246 8.414 -5.137 1.00 0.00 H new ATOM 0 HG LEU A 5 9.520 6.270 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.807 4.325 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.543 5.593 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.775 5.390 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.585 4.913 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.495 6.010 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.433 6.611 -6.582 1.00 0.00 H new ATOM 79 N GLU A 6 10.910 9.182 -5.315 1.00 0.00 N ATOM 80 CA GLU A 6 12.055 9.289 -6.230 1.00 0.00 C ATOM 81 C GLU A 6 13.264 9.938 -5.547 1.00 0.00 C ATOM 82 O GLU A 6 14.270 10.215 -6.203 1.00 0.00 O ATOM 83 CB GLU A 6 11.670 10.058 -7.510 1.00 0.00 C ATOM 84 CG GLU A 6 11.700 9.211 -8.788 1.00 0.00 C ATOM 85 CD GLU A 6 13.106 8.761 -9.194 1.00 0.00 C ATOM 86 OE1 GLU A 6 13.925 9.629 -9.568 1.00 0.00 O ATOM 87 OE2 GLU A 6 13.391 7.538 -9.171 1.00 0.00 O ATOM 0 H GLU A 6 10.150 9.828 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 6 12.341 8.276 -6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.669 10.470 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.349 10.902 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.073 8.331 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.262 9.785 -9.604 1.00 0.00 H new ATOM 94 N ALA A 7 13.138 10.240 -4.251 1.00 0.00 N ATOM 95 CA ALA A 7 14.286 10.647 -3.435 1.00 0.00 C ATOM 96 C ALA A 7 15.529 9.830 -3.804 1.00 0.00 C ATOM 97 O ALA A 7 16.639 10.363 -3.868 1.00 0.00 O ATOM 98 CB ALA A 7 13.967 10.491 -1.954 1.00 0.00 C ATOM 0 H ALA A 7 12.253 10.210 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 7 14.495 11.698 -3.636 1.00 0.00 H new ATOM 0 HB1 ALA A 7 14.829 10.797 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.111 11.116 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.732 9.448 -1.740 1.00 0.00 H new ATOM 104 N GLN A 8 15.329 8.531 -4.035 1.00 0.00 N ATOM 105 CA GLN A 8 16.353 7.691 -4.657 1.00 0.00 C ATOM 106 C GLN A 8 16.080 7.671 -6.161 1.00 0.00 C ATOM 107 O GLN A 8 14.926 7.556 -6.573 1.00 0.00 O ATOM 108 CB GLN A 8 16.315 6.260 -4.088 1.00 0.00 C ATOM 109 CG GLN A 8 16.529 6.168 -2.572 1.00 0.00 C ATOM 110 CD GLN A 8 15.396 6.790 -1.768 1.00 0.00 C ATOM 111 OE1 GLN A 8 14.247 6.817 -2.211 1.00 0.00 O ATOM 112 NE2 GLN A 8 15.705 7.282 -0.577 1.00 0.00 N ATOM 0 H GLN A 8 14.467 8.038 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 8 17.344 8.095 -4.449 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.352 5.811 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.080 5.665 -4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.634 5.121 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.465 6.664 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.668 7.242 -0.243 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.980 7.701 0.006 1.00 0.00 H new ATOM 121 N THR A 9 17.123 7.731 -6.978 1.00 0.00 N ATOM 122 CA THR A 9 16.953 8.043 -8.396 1.00 0.00 C ATOM 123 C THR A 9 17.082 6.822 -9.310 1.00 0.00 C ATOM 124 O THR A 9 17.924 5.946 -9.094 1.00 0.00 O ATOM 125 CB THR A 9 17.973 9.117 -8.837 1.00 0.00 C ATOM 126 OG1 THR A 9 17.865 10.260 -7.981 1.00 0.00 O ATOM 127 CG2 THR A 9 17.746 9.547 -10.283 1.00 0.00 C ATOM 0 H THR A 9 18.088 7.570 -6.690 1.00 0.00 H new ATOM 0 HA THR A 9 15.934 8.417 -8.500 1.00 0.00 H new ATOM 0 HB THR A 9 18.970 8.683 -8.764 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.513 10.940 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.482 10.303 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.850 8.684 -10.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 16.743 9.962 -10.386 1.00 0.00 H new ATOM 135 N ARG A 10 16.203 6.785 -10.317 1.00 0.00 N ATOM 136 CA ARG A 10 16.277 5.835 -11.438 1.00 0.00 C ATOM 137 C ARG A 10 15.921 4.417 -11.003 1.00 0.00 C ATOM 138 O ARG A 10 16.009 3.471 -11.787 1.00 0.00 O ATOM 139 CB ARG A 10 17.686 5.868 -12.065 1.00 0.00 C ATOM 140 CG ARG A 10 17.782 5.228 -13.448 1.00 0.00 C ATOM 141 CD ARG A 10 17.044 6.049 -14.499 1.00 0.00 C ATOM 142 NE ARG A 10 17.578 7.412 -14.598 1.00 0.00 N ATOM 143 CZ ARG A 10 17.155 8.324 -15.473 1.00 0.00 C ATOM 144 NH1 ARG A 10 16.180 8.036 -16.328 1.00 0.00 N ATOM 145 NH2 ARG A 10 17.704 9.532 -15.480 1.00 0.00 N ATOM 0 H ARG A 10 15.409 7.422 -10.379 1.00 0.00 H new ATOM 0 HA ARG A 10 15.544 6.141 -12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.014 6.905 -12.136 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.379 5.360 -11.395 1.00 0.00 H new ATOM 0 HG2 ARG A 10 18.830 5.130 -13.732 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.365 4.221 -13.413 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.124 5.556 -15.468 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.984 6.091 -14.249 1.00 0.00 H new ATOM 0 HE ARG A 10 18.323 7.679 -13.954 1.00 0.00 H new ATOM 0 HH11 ARG A 10 15.749 7.111 -16.318 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.862 8.739 -16.995 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.446 9.759 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.384 10.234 -16.148 1.00 0.00 H new ATOM 159 N VAL A 11 15.488 4.281 -9.762 1.00 0.00 N ATOM 160 CA VAL A 11 14.950 3.024 -9.269 1.00 0.00 C ATOM 161 C VAL A 11 13.452 3.172 -9.051 1.00 0.00 C ATOM 162 O VAL A 11 12.673 2.246 -9.282 1.00 0.00 O ATOM 163 CB VAL A 11 15.650 2.571 -7.958 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.540 3.644 -6.873 1.00 0.00 C ATOM 165 CG2 VAL A 11 15.082 1.237 -7.469 1.00 0.00 C ATOM 0 H VAL A 11 15.499 5.032 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 11 15.139 2.252 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 11 16.708 2.428 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.039 3.298 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.013 4.562 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.489 3.837 -6.657 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.588 0.941 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.014 1.345 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 11 15.238 0.474 -8.231 1.00 0.00 H new ATOM 175 N LYS A 12 13.053 4.371 -8.642 1.00 0.00 N ATOM 176 CA LYS A 12 11.658 4.660 -8.364 1.00 0.00 C ATOM 177 C LYS A 12 10.949 5.083 -9.640 1.00 0.00 C ATOM 178 O LYS A 12 9.754 4.874 -9.775 1.00 0.00 O ATOM 179 CB LYS A 12 11.545 5.756 -7.301 1.00 0.00 C ATOM 180 CG LYS A 12 12.399 5.500 -6.067 1.00 0.00 C ATOM 181 CD LYS A 12 11.980 4.234 -5.327 1.00 0.00 C ATOM 182 CE LYS A 12 12.805 4.028 -4.062 1.00 0.00 C ATOM 183 NZ LYS A 12 12.616 5.136 -3.087 1.00 0.00 N ATOM 0 H LYS A 12 13.683 5.160 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 12 11.181 3.758 -7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.836 6.709 -7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.502 5.850 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.445 5.416 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.325 6.354 -5.393 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.923 4.296 -5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.097 3.372 -5.984 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.525 3.083 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.860 3.953 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.503 5.671 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.863 5.770 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.350 4.743 -2.162 1.00 0.00 H new ATOM 197 N LEU A 13 11.700 5.678 -10.571 1.00 0.00 N ATOM 198 CA LEU A 13 11.162 6.072 -11.880 1.00 0.00 C ATOM 199 C LEU A 13 10.381 4.930 -12.530 1.00 0.00 C ATOM 200 O LEU A 13 9.217 5.097 -12.896 1.00 0.00 O ATOM 201 CB LEU A 13 12.290 6.530 -12.822 1.00 0.00 C ATOM 202 CG LEU A 13 12.881 7.919 -12.522 1.00 0.00 C ATOM 203 CD1 LEU A 13 14.025 8.240 -13.479 1.00 0.00 C ATOM 204 CD2 LEU A 13 11.798 8.994 -12.601 1.00 0.00 C ATOM 0 H LEU A 13 12.687 5.899 -10.443 1.00 0.00 H new ATOM 0 HA LEU A 13 10.480 6.905 -11.710 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.094 5.796 -12.781 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.909 6.529 -13.843 1.00 0.00 H new ATOM 0 HG LEU A 13 13.279 7.906 -11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.427 9.226 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.811 7.493 -13.370 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.655 8.230 -14.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.236 9.969 -12.386 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.367 9.003 -13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.017 8.778 -11.872 1.00 0.00 H new ATOM 216 N ASN A 14 11.023 3.772 -12.669 1.00 0.00 N ATOM 217 CA ASN A 14 10.374 2.613 -13.295 1.00 0.00 C ATOM 218 C ASN A 14 9.154 2.167 -12.487 1.00 0.00 C ATOM 219 O ASN A 14 8.054 2.008 -13.028 1.00 0.00 O ATOM 220 CB ASN A 14 11.362 1.446 -13.445 1.00 0.00 C ATOM 221 CG ASN A 14 10.717 0.213 -14.069 1.00 0.00 C ATOM 222 OD1 ASN A 14 10.204 -0.659 -13.365 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.723 0.142 -15.393 1.00 0.00 N ATOM 0 H ASN A 14 11.982 3.608 -12.362 1.00 0.00 H new ATOM 0 HA ASN A 14 10.041 2.916 -14.288 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.204 1.763 -14.061 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.764 1.186 -12.466 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.293 -0.655 -15.863 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.158 0.884 -15.942 1.00 0.00 H new ATOM 230 N TYR A 15 9.355 1.984 -11.182 1.00 0.00 N ATOM 231 CA TYR A 15 8.279 1.567 -10.283 1.00 0.00 C ATOM 232 C TYR A 15 7.123 2.571 -10.328 1.00 0.00 C ATOM 233 O TYR A 15 5.955 2.194 -10.246 1.00 0.00 O ATOM 234 CB TYR A 15 8.811 1.422 -8.846 1.00 0.00 C ATOM 235 CG TYR A 15 7.739 1.065 -7.826 1.00 0.00 C ATOM 236 CD1 TYR A 15 7.265 -0.239 -7.706 1.00 0.00 C ATOM 237 CD2 TYR A 15 7.194 2.038 -6.994 1.00 0.00 C ATOM 238 CE1 TYR A 15 6.280 -0.559 -6.790 1.00 0.00 C ATOM 239 CE2 TYR A 15 6.213 1.723 -6.075 1.00 0.00 C ATOM 240 CZ TYR A 15 5.756 0.426 -5.978 1.00 0.00 C ATOM 241 OH TYR A 15 4.776 0.113 -5.066 1.00 0.00 O ATOM 0 H TYR A 15 10.256 2.118 -10.723 1.00 0.00 H new ATOM 0 HA TYR A 15 7.905 0.598 -10.615 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.584 0.654 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.285 2.357 -8.548 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.674 -1.013 -8.339 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.544 3.057 -7.068 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.922 -1.575 -6.710 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.805 2.490 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 15 4.888 -0.815 -4.771 1.00 0.00 H new ATOM 251 N LEU A 16 7.471 3.844 -10.490 1.00 0.00 N ATOM 252 CA LEU A 16 6.499 4.931 -10.542 1.00 0.00 C ATOM 253 C LEU A 16 5.684 4.808 -11.822 1.00 0.00 C ATOM 254 O LEU A 16 4.455 4.835 -11.796 1.00 0.00 O ATOM 255 CB LEU A 16 7.234 6.291 -10.484 1.00 0.00 C ATOM 256 CG LEU A 16 6.379 7.547 -10.198 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.282 8.735 -9.866 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.471 7.896 -11.379 1.00 0.00 C ATOM 0 H LEU A 16 8.438 4.152 -10.589 1.00 0.00 H new ATOM 0 HA LEU A 16 5.825 4.872 -9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.005 6.225 -9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.744 6.440 -11.436 1.00 0.00 H new ATOM 0 HG LEU A 16 5.742 7.324 -9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.669 9.614 -9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.880 8.502 -8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.942 8.937 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.887 8.784 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.080 8.090 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.798 7.062 -11.579 1.00 0.00 H new ATOM 270 N ASP A 17 6.391 4.648 -12.936 1.00 0.00 N ATOM 271 CA ASP A 17 5.759 4.514 -14.243 1.00 0.00 C ATOM 272 C ASP A 17 4.720 3.401 -14.219 1.00 0.00 C ATOM 273 O ASP A 17 3.597 3.579 -14.684 1.00 0.00 O ATOM 274 CB ASP A 17 6.812 4.224 -15.320 1.00 0.00 C ATOM 275 CG ASP A 17 6.205 4.074 -16.707 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.757 5.093 -17.276 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.183 2.942 -17.239 1.00 0.00 O ATOM 0 H ASP A 17 7.410 4.608 -12.959 1.00 0.00 H new ATOM 0 HA ASP A 17 5.262 5.454 -14.482 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.544 5.031 -15.333 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.349 3.311 -15.062 1.00 0.00 H new ATOM 282 N GLN A 18 5.107 2.265 -13.651 1.00 0.00 N ATOM 283 CA GLN A 18 4.216 1.112 -13.530 1.00 0.00 C ATOM 284 C GLN A 18 3.031 1.419 -12.608 1.00 0.00 C ATOM 285 O GLN A 18 1.866 1.319 -13.013 1.00 0.00 O ATOM 286 CB GLN A 18 4.998 -0.090 -12.984 1.00 0.00 C ATOM 287 CG GLN A 18 4.167 -1.364 -12.852 1.00 0.00 C ATOM 288 CD GLN A 18 4.916 -2.491 -12.159 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.766 -2.147 -11.199 1.00 0.00 O flip ATOM 290 NE2 GLN A 18 4.718 -3.666 -12.470 1.00 0.00 N flip ATOM 0 H GLN A 18 6.039 2.115 -13.264 1.00 0.00 H new ATOM 0 HA GLN A 18 3.825 0.879 -14.520 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.845 -0.288 -13.641 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.406 0.168 -12.007 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.258 -1.142 -12.294 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.859 -1.695 -13.844 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.057 -3.892 -13.213 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.215 -4.413 -11.984 1.00 0.00 H new ATOM 299 N ILE A 19 3.354 1.819 -11.376 1.00 0.00 N ATOM 300 CA ILE A 19 2.359 2.030 -10.322 1.00 0.00 C ATOM 301 C ILE A 19 1.427 3.196 -10.671 1.00 0.00 C ATOM 302 O ILE A 19 0.379 3.378 -10.052 1.00 0.00 O ATOM 303 CB ILE A 19 3.056 2.301 -8.953 1.00 0.00 C ATOM 304 CG1 ILE A 19 2.134 1.950 -7.774 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.530 3.751 -8.850 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.984 0.460 -7.547 1.00 0.00 C ATOM 0 H ILE A 19 4.312 2.006 -11.081 1.00 0.00 H new ATOM 0 HA ILE A 19 1.763 1.121 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 19 3.931 1.652 -8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.526 2.410 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.150 2.383 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.011 3.909 -7.885 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.242 3.959 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.675 4.421 -8.943 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.320 0.286 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.563 -0.003 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.961 0.024 -7.338 1.00 0.00 H new ATOM 318 N ALA A 20 1.834 4.000 -11.646 1.00 0.00 N ATOM 319 CA ALA A 20 0.996 5.077 -12.152 1.00 0.00 C ATOM 320 C ALA A 20 0.192 4.605 -13.359 1.00 0.00 C ATOM 321 O ALA A 20 -1.012 4.836 -13.438 1.00 0.00 O ATOM 322 CB ALA A 20 1.846 6.289 -12.520 1.00 0.00 C ATOM 0 H ALA A 20 2.743 3.925 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 20 0.300 5.370 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.202 7.084 -12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.379 6.641 -11.637 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.565 6.009 -13.290 1.00 0.00 H new ATOM 328 N LYS A 21 0.863 3.911 -14.278 1.00 0.00 N ATOM 329 CA LYS A 21 0.267 3.530 -15.559 1.00 0.00 C ATOM 330 C LYS A 21 -0.919 2.586 -15.371 1.00 0.00 C ATOM 331 O LYS A 21 -1.992 2.822 -15.929 1.00 0.00 O ATOM 332 CB LYS A 21 1.318 2.873 -16.474 1.00 0.00 C ATOM 333 CG LYS A 21 0.833 2.546 -17.894 1.00 0.00 C ATOM 334 CD LYS A 21 0.818 3.767 -18.827 1.00 0.00 C ATOM 335 CE LYS A 21 -0.286 4.765 -18.483 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.340 5.899 -19.442 1.00 0.00 N ATOM 0 H LYS A 21 1.827 3.599 -14.158 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.097 4.443 -16.030 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.180 3.536 -16.545 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.662 1.952 -16.003 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.477 1.778 -18.323 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.172 2.126 -17.840 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.784 4.269 -18.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.689 3.430 -19.856 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.248 4.252 -18.476 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.123 5.151 -17.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.721 6.740 -18.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.618 6.103 -19.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.955 5.648 -20.242 1.00 0.00 H new ATOM 350 N PHE A 22 -0.727 1.529 -14.582 1.00 0.00 N ATOM 351 CA PHE A 22 -1.774 0.526 -14.369 1.00 0.00 C ATOM 352 C PHE A 22 -3.071 1.184 -13.880 1.00 0.00 C ATOM 353 O PHE A 22 -4.137 0.995 -14.469 1.00 0.00 O ATOM 354 CB PHE A 22 -1.291 -0.545 -13.372 1.00 0.00 C ATOM 355 CG PHE A 22 -2.368 -1.498 -12.904 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.804 -2.543 -13.707 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.938 -1.344 -11.651 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.789 -3.407 -13.266 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.919 -2.203 -11.203 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.348 -3.237 -12.011 1.00 0.00 C ATOM 0 H PHE A 22 0.141 1.344 -14.080 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.986 0.040 -15.322 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.491 -1.121 -13.837 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.862 -0.047 -12.503 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.369 -2.682 -14.686 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.608 -0.537 -11.014 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.122 -4.215 -13.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.351 -2.067 -10.222 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.117 -3.911 -11.665 1.00 0.00 H new ATOM 370 N TRP A 23 -2.955 1.983 -12.826 1.00 0.00 N ATOM 371 CA TRP A 23 -4.098 2.659 -12.214 1.00 0.00 C ATOM 372 C TRP A 23 -4.621 3.769 -13.122 1.00 0.00 C ATOM 373 O TRP A 23 -5.825 4.030 -13.173 1.00 0.00 O ATOM 374 CB TRP A 23 -3.683 3.223 -10.847 1.00 0.00 C ATOM 375 CG TRP A 23 -4.751 3.994 -10.120 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.599 5.204 -9.509 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.121 3.612 -9.913 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.783 5.605 -8.947 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.731 4.645 -9.177 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.891 2.506 -10.283 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.072 4.601 -8.798 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.220 2.463 -9.907 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.799 3.505 -9.173 1.00 0.00 C ATOM 0 H TRP A 23 -2.065 2.182 -12.369 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.905 1.940 -12.074 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.360 2.397 -10.214 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.820 3.874 -10.987 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.677 5.766 -9.473 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.933 6.477 -8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.455 1.699 -10.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.520 5.403 -8.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.823 1.611 -10.184 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.841 3.442 -8.897 1.00 0.00 H new ATOM 394 N GLU A 24 -3.712 4.408 -13.850 1.00 0.00 N ATOM 395 CA GLU A 24 -4.079 5.484 -14.759 1.00 0.00 C ATOM 396 C GLU A 24 -4.990 4.958 -15.867 1.00 0.00 C ATOM 397 O GLU A 24 -6.011 5.569 -16.194 1.00 0.00 O ATOM 398 CB GLU A 24 -2.822 6.140 -15.353 1.00 0.00 C ATOM 399 CG GLU A 24 -3.108 7.271 -16.335 1.00 0.00 C ATOM 400 CD GLU A 24 -1.870 8.096 -16.658 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.033 7.642 -17.463 1.00 0.00 O ATOM 402 OE2 GLU A 24 -1.735 9.211 -16.110 1.00 0.00 O ATOM 0 H GLU A 24 -2.714 4.198 -13.827 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.625 6.242 -14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.210 6.528 -14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.232 5.376 -15.859 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.511 6.853 -17.257 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.876 7.923 -15.918 1.00 0.00 H new ATOM 409 N ILE A 25 -4.632 3.801 -16.415 1.00 0.00 N ATOM 410 CA ILE A 25 -5.393 3.199 -17.505 1.00 0.00 C ATOM 411 C ILE A 25 -6.723 2.637 -16.999 1.00 0.00 C ATOM 412 O ILE A 25 -7.640 2.381 -17.783 1.00 0.00 O ATOM 413 CB ILE A 25 -4.575 2.095 -18.227 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.291 2.692 -18.826 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.399 1.412 -19.319 1.00 0.00 C ATOM 416 CD1 ILE A 25 -3.538 3.836 -19.791 1.00 0.00 C ATOM 0 H ILE A 25 -3.818 3.261 -16.122 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.605 3.986 -18.229 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.308 1.340 -17.488 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.653 3.044 -18.015 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.743 1.905 -19.344 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.796 0.645 -19.804 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.282 0.952 -18.875 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.708 2.151 -20.058 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.585 4.204 -20.171 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.149 3.485 -20.623 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.058 4.642 -19.274 1.00 0.00 H new ATOM 428 N GLN A 26 -6.847 2.477 -15.683 1.00 0.00 N ATOM 429 CA GLN A 26 -8.123 2.061 -15.091 1.00 0.00 C ATOM 430 C GLN A 26 -9.152 3.199 -15.145 1.00 0.00 C ATOM 431 O GLN A 26 -10.260 3.072 -14.619 1.00 0.00 O ATOM 432 CB GLN A 26 -7.926 1.590 -13.643 1.00 0.00 C ATOM 433 CG GLN A 26 -7.024 0.368 -13.505 1.00 0.00 C ATOM 434 CD GLN A 26 -7.501 -0.816 -14.332 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.114 -0.982 -15.490 1.00 0.00 O ATOM 436 NE2 GLN A 26 -8.352 -1.644 -13.746 1.00 0.00 N ATOM 0 H GLN A 26 -6.093 2.626 -15.012 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.505 1.225 -15.678 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.503 2.408 -13.060 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.900 1.360 -13.211 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.012 0.634 -13.810 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.975 0.076 -12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.650 -1.474 -12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.710 -2.452 -14.255 1.00 0.00 H new ATOM 445 N GLY A 27 -8.783 4.307 -15.792 1.00 0.00 N ATOM 446 CA GLY A 27 -9.682 5.441 -15.926 1.00 0.00 C ATOM 447 C GLY A 27 -9.548 6.391 -14.759 1.00 0.00 C ATOM 448 O GLY A 27 -10.511 7.047 -14.358 1.00 0.00 O ATOM 0 H GLY A 27 -7.870 4.437 -16.228 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.467 5.970 -16.854 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.711 5.086 -15.992 1.00 0.00 H new ATOM 452 N SER A 28 -8.342 6.466 -14.218 1.00 0.00 N ATOM 453 CA SER A 28 -8.072 7.270 -13.037 1.00 0.00 C ATOM 454 C SER A 28 -6.639 7.796 -13.082 1.00 0.00 C ATOM 455 O SER A 28 -5.977 7.717 -14.118 1.00 0.00 O ATOM 456 CB SER A 28 -8.314 6.434 -11.769 1.00 0.00 C ATOM 457 OG SER A 28 -8.220 7.234 -10.600 1.00 0.00 O ATOM 0 H SER A 28 -7.527 5.974 -14.583 1.00 0.00 H new ATOM 0 HA SER A 28 -8.748 8.125 -13.017 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.300 5.972 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.585 5.625 -11.719 1.00 0.00 H new ATOM 0 HG SER A 28 -8.045 6.661 -9.825 1.00 0.00 H new ATOM 463 N SER A 29 -6.185 8.370 -11.976 1.00 0.00 N ATOM 464 CA SER A 29 -4.806 8.818 -11.841 1.00 0.00 C ATOM 465 C SER A 29 -4.343 8.609 -10.400 1.00 0.00 C ATOM 466 O SER A 29 -5.154 8.639 -9.468 1.00 0.00 O ATOM 467 CB SER A 29 -4.675 10.288 -12.272 1.00 0.00 C ATOM 468 OG SER A 29 -5.658 11.103 -11.651 1.00 0.00 O ATOM 0 H SER A 29 -6.760 8.538 -11.150 1.00 0.00 H new ATOM 0 HA SER A 29 -4.164 8.230 -12.496 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.681 10.656 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.772 10.361 -13.355 1.00 0.00 H new ATOM 0 HG SER A 29 -5.546 12.031 -11.945 1.00 0.00 H new ATOM 474 N LEU A 30 -3.048 8.383 -10.219 1.00 0.00 N ATOM 475 CA LEU A 30 -2.508 8.023 -8.913 1.00 0.00 C ATOM 476 C LEU A 30 -2.198 9.263 -8.079 1.00 0.00 C ATOM 477 O LEU A 30 -1.211 9.958 -8.324 1.00 0.00 O ATOM 478 CB LEU A 30 -1.240 7.169 -9.075 1.00 0.00 C ATOM 479 CG LEU A 30 -0.648 6.619 -7.764 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.613 5.636 -7.103 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.707 5.962 -8.018 1.00 0.00 C ATOM 0 H LEU A 30 -2.351 8.443 -10.961 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.267 7.442 -8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.468 6.330 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.479 7.768 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.498 7.455 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.174 5.261 -6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.552 6.143 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.803 4.802 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.108 5.580 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.586 5.139 -8.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.396 6.697 -8.434 1.00 0.00 H new ATOM 493 N LYS A 31 -3.072 9.552 -7.118 1.00 0.00 N ATOM 494 CA LYS A 31 -2.820 10.592 -6.124 1.00 0.00 C ATOM 495 C LYS A 31 -2.925 9.985 -4.729 1.00 0.00 C ATOM 496 O LYS A 31 -4.001 9.981 -4.125 1.00 0.00 O ATOM 497 CB LYS A 31 -3.807 11.770 -6.243 1.00 0.00 C ATOM 498 CG LYS A 31 -3.759 12.538 -7.569 1.00 0.00 C ATOM 499 CD LYS A 31 -4.536 11.840 -8.685 1.00 0.00 C ATOM 500 CE LYS A 31 -5.988 11.575 -8.289 1.00 0.00 C ATOM 501 NZ LYS A 31 -6.698 12.816 -7.868 1.00 0.00 N ATOM 0 H LYS A 31 -3.967 9.076 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.819 10.985 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.818 11.390 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.611 12.470 -5.430 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.166 13.538 -7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.720 12.659 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.512 12.456 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.049 10.897 -8.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.515 11.126 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.013 10.851 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.706 12.607 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.286 13.167 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.597 13.541 -8.607 1.00 0.00 H new ATOM 515 N ILE A 32 -1.824 9.428 -4.243 1.00 0.00 N ATOM 516 CA ILE A 32 -1.787 8.847 -2.905 1.00 0.00 C ATOM 517 C ILE A 32 -1.388 9.907 -1.874 1.00 0.00 C ATOM 518 O ILE A 32 -0.401 10.625 -2.058 1.00 0.00 O ATOM 519 CB ILE A 32 -0.836 7.621 -2.824 1.00 0.00 C ATOM 520 CG1 ILE A 32 0.530 7.938 -3.460 1.00 0.00 C ATOM 521 CG2 ILE A 32 -1.479 6.403 -3.489 1.00 0.00 C ATOM 522 CD1 ILE A 32 1.483 6.759 -3.487 1.00 0.00 C ATOM 0 H ILE A 32 -0.944 9.365 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.791 8.490 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.666 7.389 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.372 8.289 -4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.995 8.756 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.800 5.552 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.413 6.162 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.683 6.625 -4.536 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.423 7.061 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.672 6.421 -2.468 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.040 5.946 -4.063 1.00 0.00 H new ATOM 534 N PRO A 33 -2.180 10.036 -0.787 1.00 0.00 N ATOM 535 CA PRO A 33 -1.966 11.062 0.248 1.00 0.00 C ATOM 536 C PRO A 33 -0.616 10.935 0.957 1.00 0.00 C ATOM 537 O PRO A 33 0.147 9.991 0.724 1.00 0.00 O ATOM 538 CB PRO A 33 -3.115 10.820 1.244 1.00 0.00 C ATOM 539 CG PRO A 33 -4.135 10.057 0.471 1.00 0.00 C ATOM 540 CD PRO A 33 -3.355 9.200 -0.485 1.00 0.00 C ATOM 0 HA PRO A 33 -1.956 12.061 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.774 10.256 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.522 11.761 1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.752 9.447 1.131 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.807 10.729 -0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.070 8.249 -0.036 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.929 8.969 -1.382 1.00 0.00 H new ATOM 548 N ASN A 34 -0.333 11.897 1.825 1.00 0.00 N ATOM 549 CA ASN A 34 0.915 11.923 2.574 1.00 0.00 C ATOM 550 C ASN A 34 0.684 12.350 4.009 1.00 0.00 C ATOM 551 O ASN A 34 -0.241 13.113 4.313 1.00 0.00 O ATOM 552 CB ASN A 34 1.938 12.851 1.904 1.00 0.00 C ATOM 553 CG ASN A 34 1.463 14.290 1.790 1.00 0.00 C ATOM 554 OD1 ASN A 34 0.267 14.558 1.660 1.00 0.00 O ATOM 555 ND2 ASN A 34 2.400 15.226 1.826 1.00 0.00 N ATOM 0 H ASN A 34 -0.958 12.677 2.029 1.00 0.00 H new ATOM 0 HA ASN A 34 1.316 10.909 2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.867 12.827 2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.165 12.471 0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.142 16.209 1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.380 14.963 1.935 1.00 0.00 H new ATOM 562 N VAL A 35 1.541 11.845 4.880 1.00 0.00 N ATOM 563 CA VAL A 35 1.499 12.153 6.299 1.00 0.00 C ATOM 564 C VAL A 35 2.926 12.337 6.802 1.00 0.00 C ATOM 565 O VAL A 35 3.850 11.729 6.257 1.00 0.00 O ATOM 566 CB VAL A 35 0.790 11.030 7.109 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.548 9.709 6.994 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.618 11.433 8.576 1.00 0.00 C ATOM 0 H VAL A 35 2.291 11.205 4.620 1.00 0.00 H new ATOM 0 HA VAL A 35 0.925 13.069 6.441 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.202 10.888 6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.031 8.941 7.570 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.596 9.407 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.559 9.834 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.120 10.629 9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.596 11.618 9.020 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.015 12.339 8.636 1.00 0.00 H new ATOM 578 N GLU A 36 3.119 13.189 7.814 1.00 0.00 N ATOM 579 CA GLU A 36 4.463 13.457 8.334 1.00 0.00 C ATOM 580 C GLU A 36 5.345 14.052 7.240 1.00 0.00 C ATOM 581 O GLU A 36 6.567 13.939 7.293 1.00 0.00 O ATOM 582 CB GLU A 36 5.093 12.175 8.894 1.00 0.00 C ATOM 583 CG GLU A 36 4.324 11.570 10.064 1.00 0.00 C ATOM 584 CD GLU A 36 4.146 12.549 11.214 1.00 0.00 C ATOM 585 OE1 GLU A 36 5.159 12.899 11.861 1.00 0.00 O ATOM 586 OE2 GLU A 36 3.000 12.989 11.462 1.00 0.00 O ATOM 0 H GLU A 36 2.371 13.699 8.284 1.00 0.00 H new ATOM 0 HA GLU A 36 4.381 14.179 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.161 11.436 8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.112 12.392 9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.345 11.239 9.718 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.851 10.686 10.422 1.00 0.00 H new ATOM 593 N ARG A 37 4.684 14.642 6.238 1.00 0.00 N ATOM 594 CA ARG A 37 5.321 15.281 5.078 1.00 0.00 C ATOM 595 C ARG A 37 6.011 14.244 4.188 1.00 0.00 C ATOM 596 O ARG A 37 6.796 14.582 3.301 1.00 0.00 O ATOM 597 CB ARG A 37 6.287 16.415 5.502 1.00 0.00 C ATOM 598 CG ARG A 37 7.733 15.987 5.791 1.00 0.00 C ATOM 599 CD ARG A 37 8.230 16.511 7.135 1.00 0.00 C ATOM 600 NE ARG A 37 9.664 16.273 7.306 1.00 0.00 N ATOM 601 CZ ARG A 37 10.352 16.546 8.414 1.00 0.00 C ATOM 602 NH1 ARG A 37 9.738 17.005 9.500 1.00 0.00 N ATOM 603 NH2 ARG A 37 11.662 16.341 8.431 1.00 0.00 N ATOM 0 H ARG A 37 3.666 14.690 6.209 1.00 0.00 H new ATOM 0 HA ARG A 37 4.534 15.748 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.301 17.168 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.885 16.895 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.797 14.899 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.384 16.352 4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.026 17.579 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.681 16.026 7.942 1.00 0.00 H new ATOM 0 HE ARG A 37 10.174 15.869 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.729 17.152 9.491 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.276 17.210 10.342 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.132 15.978 7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.199 16.546 9.273 1.00 0.00 H new ATOM 617 N ARG A 38 5.676 12.977 4.414 1.00 0.00 N ATOM 618 CA ARG A 38 6.173 11.878 3.596 1.00 0.00 C ATOM 619 C ARG A 38 5.004 11.237 2.852 1.00 0.00 C ATOM 620 O ARG A 38 3.924 11.054 3.424 1.00 0.00 O ATOM 621 CB ARG A 38 6.884 10.831 4.472 1.00 0.00 C ATOM 622 CG ARG A 38 7.372 9.600 3.703 1.00 0.00 C ATOM 623 CD ARG A 38 8.441 9.947 2.669 1.00 0.00 C ATOM 624 NE ARG A 38 8.797 8.794 1.836 1.00 0.00 N ATOM 625 CZ ARG A 38 9.972 8.646 1.211 1.00 0.00 C ATOM 626 NH1 ARG A 38 10.927 9.558 1.348 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.188 7.582 0.449 1.00 0.00 N ATOM 0 H ARG A 38 5.054 12.685 5.168 1.00 0.00 H new ATOM 0 HA ARG A 38 6.894 12.265 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.736 11.301 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.202 10.508 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.774 8.871 4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.526 9.128 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.081 10.756 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.332 10.315 3.178 1.00 0.00 H new ATOM 0 HE ARG A 38 8.103 8.055 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.768 10.379 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.819 9.438 0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.459 6.877 0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.083 7.469 -0.027 1.00 0.00 H new ATOM 641 N ILE A 39 5.220 10.912 1.583 1.00 0.00 N ATOM 642 CA ILE A 39 4.198 10.273 0.761 1.00 0.00 C ATOM 643 C ILE A 39 3.857 8.889 1.314 1.00 0.00 C ATOM 644 O ILE A 39 4.694 8.247 1.959 1.00 0.00 O ATOM 645 CB ILE A 39 4.679 10.134 -0.711 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.577 9.522 -1.597 1.00 0.00 C ATOM 647 CG2 ILE A 39 5.958 9.296 -0.782 1.00 0.00 C ATOM 648 CD1 ILE A 39 3.991 9.314 -3.040 1.00 0.00 C ATOM 0 H ILE A 39 6.101 11.082 1.097 1.00 0.00 H new ATOM 0 HA ILE A 39 3.308 10.902 0.785 1.00 0.00 H new ATOM 0 HB ILE A 39 4.900 11.132 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.276 8.563 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.702 10.171 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.279 9.210 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.742 9.778 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.765 8.302 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.161 8.880 -3.598 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.264 10.272 -3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.847 8.640 -3.079 1.00 0.00 H new ATOM 660 N LEU A 40 2.625 8.441 1.078 1.00 0.00 N ATOM 661 CA LEU A 40 2.228 7.090 1.443 1.00 0.00 C ATOM 662 C LEU A 40 3.008 6.113 0.564 1.00 0.00 C ATOM 663 O LEU A 40 2.600 5.791 -0.553 1.00 0.00 O ATOM 664 CB LEU A 40 0.709 6.908 1.269 1.00 0.00 C ATOM 665 CG LEU A 40 0.125 5.612 1.854 1.00 0.00 C ATOM 666 CD1 LEU A 40 0.375 5.541 3.360 1.00 0.00 C ATOM 667 CD2 LEU A 40 -1.370 5.507 1.546 1.00 0.00 C ATOM 0 H LEU A 40 1.890 8.994 0.637 1.00 0.00 H new ATOM 0 HA LEU A 40 2.455 6.899 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.204 7.755 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.476 6.942 0.205 1.00 0.00 H new ATOM 0 HG LEU A 40 0.629 4.767 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.046 4.617 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.448 5.563 3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.098 6.393 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.764 4.583 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.892 6.358 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.520 5.505 0.466 1.00 0.00 H new ATOM 679 N ASP A 41 4.159 5.686 1.072 1.00 0.00 N ATOM 680 CA ASP A 41 5.138 4.959 0.273 1.00 0.00 C ATOM 681 C ASP A 41 4.657 3.540 -0.031 1.00 0.00 C ATOM 682 O ASP A 41 4.871 2.613 0.752 1.00 0.00 O ATOM 683 CB ASP A 41 6.490 4.927 1.004 1.00 0.00 C ATOM 684 CG ASP A 41 7.656 4.659 0.067 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.811 3.511 -0.390 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.425 5.601 -0.215 1.00 0.00 O ATOM 0 H ASP A 41 4.438 5.833 2.042 1.00 0.00 H new ATOM 0 HA ASP A 41 5.261 5.478 -0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.647 5.879 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.464 4.157 1.775 1.00 0.00 H new ATOM 691 N LEU A 42 3.990 3.398 -1.174 1.00 0.00 N ATOM 692 CA LEU A 42 3.410 2.124 -1.608 1.00 0.00 C ATOM 693 C LEU A 42 4.508 1.070 -1.807 1.00 0.00 C ATOM 694 O LEU A 42 4.281 -0.123 -1.611 1.00 0.00 O ATOM 695 CB LEU A 42 2.614 2.348 -2.913 1.00 0.00 C ATOM 696 CG LEU A 42 1.404 1.416 -3.152 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.564 1.923 -4.322 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.846 -0.026 -3.403 1.00 0.00 C ATOM 0 H LEU A 42 3.835 4.164 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 42 2.734 1.752 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.258 3.378 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.299 2.239 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 42 0.796 1.426 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.284 1.256 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.200 2.927 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.175 1.949 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.969 -0.652 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.487 -0.062 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.397 -0.393 -2.538 1.00 0.00 H new ATOM 710 N TYR A 43 5.699 1.527 -2.176 1.00 0.00 N ATOM 711 CA TYR A 43 6.833 0.639 -2.440 1.00 0.00 C ATOM 712 C TYR A 43 7.242 -0.093 -1.154 1.00 0.00 C ATOM 713 O TYR A 43 7.199 -1.334 -1.068 1.00 0.00 O ATOM 714 CB TYR A 43 8.007 1.471 -2.983 1.00 0.00 C ATOM 715 CG TYR A 43 9.021 0.707 -3.819 1.00 0.00 C ATOM 716 CD1 TYR A 43 9.038 -0.685 -3.872 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.965 1.399 -4.567 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.968 -1.357 -4.645 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.895 0.736 -5.338 1.00 0.00 C ATOM 720 CZ TYR A 43 10.894 -0.640 -5.374 1.00 0.00 C ATOM 721 OH TYR A 43 11.830 -1.303 -6.136 1.00 0.00 O ATOM 0 H TYR A 43 5.909 2.517 -2.301 1.00 0.00 H new ATOM 0 HA TYR A 43 6.549 -0.108 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.604 2.284 -3.586 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.527 1.927 -2.140 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.314 -1.248 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.970 2.479 -4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.969 -2.437 -4.678 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.621 1.293 -5.911 1.00 0.00 H new ATOM 0 HH TYR A 43 12.406 -0.651 -6.587 1.00 0.00 H new ATOM 731 N SER A 44 7.625 0.692 -0.151 1.00 0.00 N ATOM 732 CA SER A 44 7.995 0.164 1.152 1.00 0.00 C ATOM 733 C SER A 44 6.810 -0.582 1.761 1.00 0.00 C ATOM 734 O SER A 44 6.973 -1.630 2.378 1.00 0.00 O ATOM 735 CB SER A 44 8.455 1.302 2.073 1.00 0.00 C ATOM 736 OG SER A 44 9.493 2.057 1.465 1.00 0.00 O ATOM 0 H SER A 44 7.686 1.708 -0.221 1.00 0.00 H new ATOM 0 HA SER A 44 8.824 -0.535 1.036 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.612 1.954 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.806 0.890 3.019 1.00 0.00 H new ATOM 0 HG SER A 44 9.115 2.627 0.763 1.00 0.00 H new ATOM 742 N LEU A 45 5.615 -0.040 1.551 1.00 0.00 N ATOM 743 CA LEU A 45 4.384 -0.682 1.996 1.00 0.00 C ATOM 744 C LEU A 45 4.284 -2.083 1.406 1.00 0.00 C ATOM 745 O LEU A 45 3.979 -3.038 2.111 1.00 0.00 O ATOM 746 CB LEU A 45 3.164 0.152 1.577 1.00 0.00 C ATOM 747 CG LEU A 45 1.795 -0.458 1.918 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.612 -0.569 3.429 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.669 0.360 1.288 1.00 0.00 C ATOM 0 H LEU A 45 5.473 0.849 1.072 1.00 0.00 H new ATOM 0 HA LEU A 45 4.401 -0.754 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.234 1.130 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.211 0.316 0.500 1.00 0.00 H new ATOM 0 HG LEU A 45 1.756 -1.464 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.636 -1.003 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.393 -1.206 3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.676 0.423 3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.292 -0.088 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.705 1.381 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.790 0.372 0.205 1.00 0.00 H new ATOM 761 N SER A 46 4.575 -2.194 0.113 1.00 0.00 N ATOM 762 CA SER A 46 4.492 -3.465 -0.593 1.00 0.00 C ATOM 763 C SER A 46 5.429 -4.484 0.049 1.00 0.00 C ATOM 764 O SER A 46 4.996 -5.564 0.470 1.00 0.00 O ATOM 765 CB SER A 46 4.836 -3.271 -2.079 1.00 0.00 C ATOM 766 OG SER A 46 4.740 -4.487 -2.805 1.00 0.00 O ATOM 0 H SER A 46 4.872 -1.411 -0.469 1.00 0.00 H new ATOM 0 HA SER A 46 3.472 -3.843 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.162 -2.533 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.847 -2.872 -2.169 1.00 0.00 H new ATOM 0 HG SER A 46 3.959 -4.454 -3.396 1.00 0.00 H new ATOM 772 N LYS A 47 6.710 -4.123 0.171 1.00 0.00 N ATOM 773 CA LYS A 47 7.704 -5.052 0.714 1.00 0.00 C ATOM 774 C LYS A 47 7.363 -5.422 2.162 1.00 0.00 C ATOM 775 O LYS A 47 7.602 -6.551 2.602 1.00 0.00 O ATOM 776 CB LYS A 47 9.128 -4.470 0.635 1.00 0.00 C ATOM 777 CG LYS A 47 9.347 -3.226 1.492 1.00 0.00 C ATOM 778 CD LYS A 47 10.818 -2.813 1.552 1.00 0.00 C ATOM 779 CE LYS A 47 11.362 -2.414 0.184 1.00 0.00 C ATOM 780 NZ LYS A 47 12.813 -2.088 0.241 1.00 0.00 N ATOM 0 H LYS A 47 7.078 -3.210 -0.094 1.00 0.00 H new ATOM 0 HA LYS A 47 7.677 -5.954 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.839 -5.237 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.351 -4.225 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.757 -2.402 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.984 -3.415 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.931 -1.978 2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.409 -3.638 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.200 -3.227 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.810 -1.552 -0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.146 -1.822 -0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.965 -1.295 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.343 -2.919 0.573 1.00 0.00 H new ATOM 794 N ILE A 48 6.787 -4.471 2.893 1.00 0.00 N ATOM 795 CA ILE A 48 6.444 -4.685 4.296 1.00 0.00 C ATOM 796 C ILE A 48 5.198 -5.560 4.436 1.00 0.00 C ATOM 797 O ILE A 48 5.146 -6.430 5.301 1.00 0.00 O ATOM 798 CB ILE A 48 6.261 -3.336 5.036 1.00 0.00 C ATOM 799 CG1 ILE A 48 7.615 -2.604 5.105 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.681 -3.544 6.439 1.00 0.00 C ATOM 801 CD1 ILE A 48 7.533 -1.205 5.672 1.00 0.00 C ATOM 0 H ILE A 48 6.548 -3.545 2.537 1.00 0.00 H new ATOM 0 HA ILE A 48 7.275 -5.214 4.762 1.00 0.00 H new ATOM 0 HB ILE A 48 5.550 -2.725 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.303 -3.191 5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.040 -2.554 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.565 -2.579 6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.709 -4.031 6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.356 -4.170 7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.528 -0.759 5.686 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.873 -0.599 5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.139 -1.247 6.688 1.00 0.00 H new ATOM 813 N VAL A 49 4.207 -5.353 3.573 1.00 0.00 N ATOM 814 CA VAL A 49 3.010 -6.194 3.575 1.00 0.00 C ATOM 815 C VAL A 49 3.398 -7.642 3.270 1.00 0.00 C ATOM 816 O VAL A 49 2.868 -8.580 3.871 1.00 0.00 O ATOM 817 CB VAL A 49 1.949 -5.703 2.551 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.800 -6.705 2.420 1.00 0.00 C ATOM 819 CG2 VAL A 49 1.410 -4.330 2.953 1.00 0.00 C ATOM 0 H VAL A 49 4.207 -4.616 2.868 1.00 0.00 H new ATOM 0 HA VAL A 49 2.561 -6.130 4.566 1.00 0.00 H new ATOM 0 HB VAL A 49 2.437 -5.619 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.074 -6.334 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.191 -7.665 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.315 -6.832 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.668 -4.003 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.947 -4.395 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.230 -3.612 2.984 1.00 0.00 H new ATOM 829 N VAL A 50 4.345 -7.815 2.345 1.00 0.00 N ATOM 830 CA VAL A 50 4.881 -9.138 2.028 1.00 0.00 C ATOM 831 C VAL A 50 5.661 -9.695 3.226 1.00 0.00 C ATOM 832 O VAL A 50 5.641 -10.901 3.489 1.00 0.00 O ATOM 833 CB VAL A 50 5.794 -9.099 0.772 1.00 0.00 C ATOM 834 CG1 VAL A 50 6.357 -10.484 0.457 1.00 0.00 C ATOM 835 CG2 VAL A 50 5.030 -8.546 -0.432 1.00 0.00 C ATOM 0 H VAL A 50 4.756 -7.055 1.803 1.00 0.00 H new ATOM 0 HA VAL A 50 4.038 -9.793 1.810 1.00 0.00 H new ATOM 0 HB VAL A 50 6.631 -8.435 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.992 -10.426 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.945 -10.839 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.536 -11.176 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.687 -8.527 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.170 -9.182 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.688 -7.534 -0.213 1.00 0.00 H new ATOM 845 N GLU A 51 6.346 -8.808 3.946 1.00 0.00 N ATOM 846 CA GLU A 51 7.033 -9.170 5.191 1.00 0.00 C ATOM 847 C GLU A 51 6.019 -9.648 6.236 1.00 0.00 C ATOM 848 O GLU A 51 6.289 -10.564 7.019 1.00 0.00 O ATOM 849 CB GLU A 51 7.823 -7.960 5.724 1.00 0.00 C ATOM 850 CG GLU A 51 8.576 -8.218 7.027 1.00 0.00 C ATOM 851 CD GLU A 51 9.370 -7.007 7.497 1.00 0.00 C ATOM 852 OE1 GLU A 51 10.378 -6.662 6.844 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.999 -6.390 8.523 1.00 0.00 O ATOM 0 H GLU A 51 6.442 -7.826 3.688 1.00 0.00 H new ATOM 0 HA GLU A 51 7.730 -9.983 4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.537 -7.645 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.133 -7.130 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.865 -8.504 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.254 -9.061 6.889 1.00 0.00 H new ATOM 860 N GLU A 52 4.847 -9.022 6.223 1.00 0.00 N ATOM 861 CA GLU A 52 3.763 -9.357 7.144 1.00 0.00 C ATOM 862 C GLU A 52 3.016 -10.607 6.677 1.00 0.00 C ATOM 863 O GLU A 52 2.391 -11.304 7.477 1.00 0.00 O ATOM 864 CB GLU A 52 2.801 -8.173 7.252 1.00 0.00 C ATOM 865 CG GLU A 52 3.444 -6.901 7.800 1.00 0.00 C ATOM 866 CD GLU A 52 3.789 -6.992 9.277 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.778 -7.672 9.631 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.073 -6.387 10.096 1.00 0.00 O ATOM 0 H GLU A 52 4.620 -8.268 5.574 1.00 0.00 H new ATOM 0 HA GLU A 52 4.189 -9.568 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.387 -7.963 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.967 -8.453 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.351 -6.688 7.234 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.766 -6.062 7.643 1.00 0.00 H new ATOM 875 N GLY A 53 3.063 -10.870 5.375 1.00 0.00 N ATOM 876 CA GLY A 53 2.520 -12.109 4.835 1.00 0.00 C ATOM 877 C GLY A 53 1.146 -11.954 4.205 1.00 0.00 C ATOM 878 O GLY A 53 0.659 -12.878 3.553 1.00 0.00 O ATOM 0 H GLY A 53 3.469 -10.245 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.210 -12.502 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.462 -12.848 5.634 1.00 0.00 H new ATOM 882 N GLY A 54 0.510 -10.799 4.393 1.00 0.00 N ATOM 883 CA GLY A 54 -0.803 -10.582 3.805 1.00 0.00 C ATOM 884 C GLY A 54 -1.484 -9.322 4.307 1.00 0.00 C ATOM 885 O GLY A 54 -1.534 -9.075 5.512 1.00 0.00 O ATOM 0 H GLY A 54 0.875 -10.017 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.703 -10.526 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.438 -11.441 4.023 1.00 0.00 H new ATOM 889 N TYR A 55 -2.028 -8.547 3.369 1.00 0.00 N ATOM 890 CA TYR A 55 -2.729 -7.294 3.664 1.00 0.00 C ATOM 891 C TYR A 55 -3.831 -7.504 4.702 1.00 0.00 C ATOM 892 O TYR A 55 -3.847 -6.852 5.753 1.00 0.00 O ATOM 893 CB TYR A 55 -3.314 -6.738 2.353 1.00 0.00 C ATOM 894 CG TYR A 55 -4.132 -5.462 2.492 1.00 0.00 C ATOM 895 CD1 TYR A 55 -3.562 -4.301 2.998 1.00 0.00 C ATOM 896 CD2 TYR A 55 -5.472 -5.418 2.111 1.00 0.00 C ATOM 897 CE1 TYR A 55 -4.298 -3.139 3.124 1.00 0.00 C ATOM 898 CE2 TYR A 55 -6.211 -4.256 2.234 1.00 0.00 C ATOM 899 CZ TYR A 55 -5.620 -3.122 2.742 1.00 0.00 C ATOM 900 OH TYR A 55 -6.355 -1.964 2.868 1.00 0.00 O ATOM 0 H TYR A 55 -1.995 -8.771 2.375 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.023 -6.579 4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.494 -6.550 1.660 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.943 -7.505 1.902 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.525 -4.307 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.941 -6.306 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.837 -2.246 3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.248 -4.238 1.933 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.270 -2.121 2.553 1.00 0.00 H new ATOM 910 N GLU A 56 -4.734 -8.433 4.412 1.00 0.00 N ATOM 911 CA GLU A 56 -5.873 -8.704 5.286 1.00 0.00 C ATOM 912 C GLU A 56 -5.438 -9.216 6.654 1.00 0.00 C ATOM 913 O GLU A 56 -6.133 -9.004 7.644 1.00 0.00 O ATOM 914 CB GLU A 56 -6.836 -9.694 4.617 1.00 0.00 C ATOM 915 CG GLU A 56 -8.160 -9.063 4.215 1.00 0.00 C ATOM 916 CD GLU A 56 -7.979 -7.803 3.386 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.913 -7.907 2.145 1.00 0.00 O ATOM 918 OE2 GLU A 56 -7.903 -6.704 3.976 1.00 0.00 O ATOM 0 H GLU A 56 -4.701 -9.015 3.575 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.392 -7.760 5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.358 -10.114 3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.028 -10.522 5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.745 -9.786 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.732 -8.824 5.112 1.00 0.00 H new ATOM 925 N ALA A 57 -4.291 -9.882 6.714 1.00 0.00 N ATOM 926 CA ALA A 57 -3.772 -10.372 7.986 1.00 0.00 C ATOM 927 C ALA A 57 -3.436 -9.191 8.888 1.00 0.00 C ATOM 928 O ALA A 57 -3.839 -9.139 10.055 1.00 0.00 O ATOM 929 CB ALA A 57 -2.548 -11.255 7.763 1.00 0.00 C ATOM 0 H ALA A 57 -3.707 -10.094 5.905 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.534 -10.980 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.176 -11.610 8.724 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.823 -12.108 7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.770 -10.678 7.263 1.00 0.00 H new ATOM 935 N ILE A 58 -2.730 -8.221 8.315 1.00 0.00 N ATOM 936 CA ILE A 58 -2.344 -7.019 9.043 1.00 0.00 C ATOM 937 C ILE A 58 -3.590 -6.246 9.451 1.00 0.00 C ATOM 938 O ILE A 58 -3.681 -5.720 10.559 1.00 0.00 O ATOM 939 CB ILE A 58 -1.458 -6.084 8.184 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.438 -6.885 7.368 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.747 -5.066 9.068 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.294 -6.055 6.332 1.00 0.00 C ATOM 0 H ILE A 58 -2.413 -8.245 7.346 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.776 -7.338 9.917 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.106 -5.553 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.290 -7.329 8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.950 -7.707 6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.128 -4.416 8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.486 -4.466 9.599 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.118 -5.587 9.789 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.000 -6.687 5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.425 -5.632 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.834 -5.248 6.828 1.00 0.00 H new ATOM 954 N CYS A 59 -4.550 -6.191 8.535 1.00 0.00 N ATOM 955 CA CYS A 59 -5.788 -5.461 8.757 1.00 0.00 C ATOM 956 C CYS A 59 -6.606 -6.105 9.872 1.00 0.00 C ATOM 957 O CYS A 59 -7.064 -5.422 10.790 1.00 0.00 O ATOM 958 CB CYS A 59 -6.606 -5.409 7.461 1.00 0.00 C ATOM 959 SG CYS A 59 -8.075 -4.362 7.556 1.00 0.00 S ATOM 0 H CYS A 59 -4.491 -6.648 7.625 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.539 -4.445 9.062 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.967 -5.048 6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -6.911 -6.421 7.196 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.979 -4.947 8.285 1.00 0.00 H new ATOM 965 N LYS A 60 -6.748 -7.424 9.810 1.00 0.00 N ATOM 966 CA LYS A 60 -7.606 -8.151 10.737 1.00 0.00 C ATOM 967 C LYS A 60 -7.017 -8.124 12.147 1.00 0.00 C ATOM 968 O LYS A 60 -7.750 -8.035 13.135 1.00 0.00 O ATOM 969 CB LYS A 60 -7.802 -9.600 10.259 1.00 0.00 C ATOM 970 CG LYS A 60 -9.038 -10.287 10.840 1.00 0.00 C ATOM 971 CD LYS A 60 -10.322 -9.558 10.443 1.00 0.00 C ATOM 972 CE LYS A 60 -11.572 -10.304 10.898 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.620 -10.476 12.375 1.00 0.00 N ATOM 0 H LYS A 60 -6.277 -8.014 9.124 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.580 -7.662 10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.874 -9.606 9.171 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.919 -10.181 10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.081 -11.318 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.959 -10.322 11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.319 -8.558 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.348 -9.435 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.457 -9.760 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.603 -11.283 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.551 -10.849 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.878 -11.142 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.464 -9.557 12.837 1.00 0.00 H new ATOM 987 N ASP A 61 -5.689 -8.201 12.239 1.00 0.00 N ATOM 988 CA ASP A 61 -5.008 -8.148 13.536 1.00 0.00 C ATOM 989 C ASP A 61 -4.684 -6.710 13.941 1.00 0.00 C ATOM 990 O ASP A 61 -4.176 -6.474 15.040 1.00 0.00 O ATOM 991 CB ASP A 61 -3.724 -8.996 13.522 1.00 0.00 C ATOM 992 CG ASP A 61 -4.006 -10.492 13.577 1.00 0.00 C ATOM 993 OD1 ASP A 61 -4.743 -10.927 14.494 1.00 0.00 O ATOM 994 OD2 ASP A 61 -3.485 -11.245 12.725 1.00 0.00 O ATOM 0 H ASP A 61 -5.066 -8.300 11.438 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.692 -8.564 14.276 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.155 -8.771 12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.100 -8.717 14.371 1.00 0.00 H new ATOM 999 N ARG A 62 -4.979 -5.754 13.050 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.734 -4.330 13.315 1.00 0.00 C ATOM 1001 C ARG A 62 -3.235 -4.099 13.545 1.00 0.00 C ATOM 1002 O ARG A 62 -2.813 -3.192 14.263 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.579 -3.855 14.512 1.00 0.00 C ATOM 1004 CG ARG A 62 -7.067 -4.180 14.360 1.00 0.00 C ATOM 1005 CD ARG A 62 -7.903 -3.663 15.526 1.00 0.00 C ATOM 1006 NE ARG A 62 -9.273 -4.184 15.483 1.00 0.00 N ATOM 1007 CZ ARG A 62 -10.377 -3.435 15.540 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -10.296 -2.113 15.579 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -11.568 -4.016 15.538 1.00 0.00 N ATOM 0 H ARG A 62 -5.389 -5.942 12.135 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.037 -3.739 12.451 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.202 -4.320 15.423 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.458 -2.778 14.631 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.437 -3.745 13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.193 -5.260 14.278 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.433 -3.951 16.467 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.927 -2.574 15.502 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.392 -5.194 15.404 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.384 -1.657 15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.146 -1.551 15.622 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.639 -5.032 15.493 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.413 -3.447 15.581 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.451 -4.914 12.851 1.00 0.00 N ATOM 1024 CA ARG A 63 -1.002 -4.996 13.005 1.00 0.00 C ATOM 1025 C ARG A 63 -0.303 -3.861 12.249 1.00 0.00 C ATOM 1026 O ARG A 63 0.927 -3.768 12.236 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.595 -6.395 12.501 1.00 0.00 C ATOM 1028 CG ARG A 63 0.890 -6.741 12.525 1.00 0.00 C ATOM 1029 CD ARG A 63 1.081 -8.246 12.302 1.00 0.00 C ATOM 1030 NE ARG A 63 2.341 -8.576 11.638 1.00 0.00 N ATOM 1031 CZ ARG A 63 2.672 -9.809 11.242 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.878 -10.838 11.516 1.00 0.00 N ATOM 1033 NH2 ARG A 63 3.796 -10.012 10.573 1.00 0.00 N ATOM 0 H ARG A 63 -2.815 -5.555 12.145 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.696 -4.872 14.044 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.124 -7.137 13.100 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.950 -6.501 11.476 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.415 -6.181 11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.325 -6.448 13.481 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.040 -8.757 13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.253 -8.626 11.704 1.00 0.00 H new ATOM 0 HE ARG A 63 3.006 -7.822 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.010 -10.690 12.031 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.136 -11.777 11.211 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.411 -9.227 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.047 -10.954 10.272 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.106 -2.967 11.663 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.586 -1.782 10.978 1.00 0.00 C ATOM 1049 C TRP A 64 0.206 -0.904 11.939 1.00 0.00 C ATOM 1050 O TRP A 64 0.962 -0.032 11.513 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.723 -0.967 10.350 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.454 -1.703 9.272 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.748 -2.137 9.308 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.930 -2.105 8.000 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.059 -2.780 8.138 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -2.961 -2.772 7.319 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.688 -1.963 7.368 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.791 -3.298 6.044 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.522 -2.485 6.101 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.568 -3.144 5.450 1.00 0.00 C ATOM 0 H TRP A 64 -2.123 -3.043 11.650 1.00 0.00 H new ATOM 0 HA TRP A 64 0.078 -2.126 10.185 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.430 -0.682 11.129 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.314 -0.044 9.938 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.426 -1.995 10.136 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.962 -3.197 7.913 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.126 -1.454 7.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.596 -3.811 5.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.432 -2.382 5.605 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.408 -3.540 4.458 1.00 0.00 H new ATOM 1071 N ALA A 65 0.022 -1.136 13.237 1.00 0.00 N ATOM 1072 CA ALA A 65 0.787 -0.436 14.260 1.00 0.00 C ATOM 1073 C ALA A 65 2.285 -0.586 13.999 1.00 0.00 C ATOM 1074 O ALA A 65 3.017 0.409 13.915 1.00 0.00 O ATOM 1075 CB ALA A 65 0.429 -0.964 15.647 1.00 0.00 C ATOM 0 H ALA A 65 -0.654 -1.807 13.604 1.00 0.00 H new ATOM 0 HA ALA A 65 0.534 0.623 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.009 -0.431 16.400 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.634 -0.810 15.832 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.656 -2.029 15.701 1.00 0.00 H new ATOM 1081 N ARG A 66 2.734 -1.834 13.829 1.00 0.00 N ATOM 1082 CA ARG A 66 4.159 -2.087 13.613 1.00 0.00 C ATOM 1083 C ARG A 66 4.578 -1.605 12.226 1.00 0.00 C ATOM 1084 O ARG A 66 5.746 -1.298 11.996 1.00 0.00 O ATOM 1085 CB ARG A 66 4.520 -3.574 13.778 1.00 0.00 C ATOM 1086 CG ARG A 66 4.148 -4.458 12.586 1.00 0.00 C ATOM 1087 CD ARG A 66 5.115 -5.632 12.439 1.00 0.00 C ATOM 1088 NE ARG A 66 6.505 -5.177 12.290 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.276 -5.413 11.224 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.801 -6.080 10.183 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.522 -4.967 11.194 1.00 0.00 N ATOM 0 H ARG A 66 2.145 -2.667 13.836 1.00 0.00 H new ATOM 0 HA ARG A 66 4.702 -1.529 14.376 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.593 -3.656 13.953 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.021 -3.958 14.668 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.133 -4.834 12.713 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.155 -3.862 11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.036 -6.280 13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.833 -6.229 11.572 1.00 0.00 H new ATOM 0 HE ARG A 66 6.911 -4.641 13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.839 -6.419 10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.397 -6.255 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.895 -4.442 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.109 -5.148 10.380 1.00 0.00 H new ATOM 1105 N VAL A 67 3.613 -1.542 11.307 1.00 0.00 N ATOM 1106 CA VAL A 67 3.872 -1.080 9.945 1.00 0.00 C ATOM 1107 C VAL A 67 4.133 0.426 9.939 1.00 0.00 C ATOM 1108 O VAL A 67 5.044 0.909 9.266 1.00 0.00 O ATOM 1109 CB VAL A 67 2.697 -1.421 8.992 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.971 -0.914 7.575 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.433 -2.928 8.990 1.00 0.00 C ATOM 0 H VAL A 67 2.644 -1.806 11.483 1.00 0.00 H new ATOM 0 HA VAL A 67 4.758 -1.601 9.581 1.00 0.00 H new ATOM 0 HB VAL A 67 1.804 -0.914 9.358 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.130 -1.167 6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.100 0.168 7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.878 -1.381 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.606 -3.152 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.327 -3.454 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.178 -3.254 9.998 1.00 0.00 H new ATOM 1121 N ALA A 68 3.347 1.166 10.710 1.00 0.00 N ATOM 1122 CA ALA A 68 3.580 2.593 10.867 1.00 0.00 C ATOM 1123 C ALA A 68 4.934 2.812 11.534 1.00 0.00 C ATOM 1124 O ALA A 68 5.705 3.680 11.127 1.00 0.00 O ATOM 1125 CB ALA A 68 2.458 3.246 11.663 1.00 0.00 C ATOM 0 H ALA A 68 2.549 0.804 11.232 1.00 0.00 H new ATOM 0 HA ALA A 68 3.591 3.064 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.658 4.313 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.511 3.102 11.142 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.401 2.791 12.652 1.00 0.00 H new ATOM 1131 N GLN A 69 5.222 1.989 12.543 1.00 0.00 N ATOM 1132 CA GLN A 69 6.536 1.982 13.188 1.00 0.00 C ATOM 1133 C GLN A 69 7.618 1.652 12.150 1.00 0.00 C ATOM 1134 O GLN A 69 8.715 2.215 12.173 1.00 0.00 O ATOM 1135 CB GLN A 69 6.537 0.959 14.345 1.00 0.00 C ATOM 1136 CG GLN A 69 7.812 0.930 15.196 1.00 0.00 C ATOM 1137 CD GLN A 69 8.984 0.207 14.539 1.00 0.00 C ATOM 1138 OE1 GLN A 69 8.696 -0.804 13.728 1.00 0.00 O flip ATOM 1139 NE2 GLN A 69 10.144 0.546 14.773 1.00 0.00 N flip ATOM 0 H GLN A 69 4.561 1.317 12.932 1.00 0.00 H new ATOM 0 HA GLN A 69 6.753 2.966 13.603 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.690 1.173 14.997 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.376 -0.035 13.928 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.110 1.954 15.419 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.590 0.448 16.148 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.330 1.328 15.401 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.919 0.045 14.339 1.00 0.00 H new ATOM 1148 N ARG A 70 7.279 0.747 11.232 1.00 0.00 N ATOM 1149 CA ARG A 70 8.177 0.342 10.148 1.00 0.00 C ATOM 1150 C ARG A 70 8.566 1.553 9.296 1.00 0.00 C ATOM 1151 O ARG A 70 9.728 1.718 8.929 1.00 0.00 O ATOM 1152 CB ARG A 70 7.496 -0.732 9.272 1.00 0.00 C ATOM 1153 CG ARG A 70 8.132 -2.118 9.341 1.00 0.00 C ATOM 1154 CD ARG A 70 9.527 -2.129 8.732 1.00 0.00 C ATOM 1155 NE ARG A 70 10.054 -3.489 8.580 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.281 -3.867 8.948 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.104 -3.006 9.533 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.681 -5.108 8.724 1.00 0.00 N ATOM 0 H ARG A 70 6.375 0.274 11.218 1.00 0.00 H new ATOM 0 HA ARG A 70 9.083 -0.079 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.451 -0.813 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.507 -0.395 8.236 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.186 -2.442 10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.500 -2.835 8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.500 -1.641 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.201 -1.548 9.362 1.00 0.00 H new ATOM 0 HE ARG A 70 9.443 -4.193 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.801 -2.047 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.039 -3.303 9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.053 -5.772 8.272 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.617 -5.400 9.004 1.00 0.00 H new ATOM 1172 N LEU A 71 7.582 2.396 8.983 1.00 0.00 N ATOM 1173 CA LEU A 71 7.823 3.600 8.180 1.00 0.00 C ATOM 1174 C LEU A 71 8.236 4.786 9.048 1.00 0.00 C ATOM 1175 O LEU A 71 8.247 5.927 8.572 1.00 0.00 O ATOM 1176 CB LEU A 71 6.595 3.977 7.338 1.00 0.00 C ATOM 1177 CG LEU A 71 6.344 3.099 6.095 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.002 1.667 6.490 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.241 3.692 5.221 1.00 0.00 C ATOM 0 H LEU A 71 6.612 2.270 9.271 1.00 0.00 H new ATOM 0 HA LEU A 71 8.646 3.361 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.712 3.933 7.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.703 5.012 7.014 1.00 0.00 H new ATOM 0 HG LEU A 71 7.267 3.078 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.831 1.073 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.829 1.238 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.102 1.664 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.083 3.054 4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.317 3.757 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.534 4.689 4.891 1.00 0.00 H new ATOM 1191 N ASN A 72 8.550 4.524 10.321 1.00 0.00 N ATOM 1192 CA ASN A 72 9.099 5.553 11.209 1.00 0.00 C ATOM 1193 C ASN A 72 8.028 6.595 11.590 1.00 0.00 C ATOM 1194 O ASN A 72 8.328 7.676 12.096 1.00 0.00 O ATOM 1195 CB ASN A 72 10.352 6.177 10.535 1.00 0.00 C ATOM 1196 CG ASN A 72 10.762 7.534 11.079 1.00 0.00 C ATOM 1197 OD1 ASN A 72 11.507 7.637 12.057 1.00 0.00 O ATOM 1198 ND2 ASN A 72 10.286 8.586 10.428 1.00 0.00 N ATOM 0 H ASN A 72 8.434 3.610 10.759 1.00 0.00 H new ATOM 0 HA ASN A 72 9.412 5.106 12.153 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.189 5.488 10.649 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.162 6.273 9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.533 9.528 10.731 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.673 8.453 9.624 1.00 0.00 H new ATOM 1205 N TYR A 73 6.761 6.234 11.403 1.00 0.00 N ATOM 1206 CA TYR A 73 5.655 7.110 11.795 1.00 0.00 C ATOM 1207 C TYR A 73 5.514 7.131 13.320 1.00 0.00 C ATOM 1208 O TYR A 73 5.918 6.182 13.999 1.00 0.00 O ATOM 1209 CB TYR A 73 4.328 6.644 11.178 1.00 0.00 C ATOM 1210 CG TYR A 73 4.265 6.703 9.663 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.774 7.789 8.955 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.666 5.677 8.943 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.688 7.843 7.574 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.579 5.722 7.570 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.090 6.806 6.886 1.00 0.00 C ATOM 1216 OH TYR A 73 4.003 6.855 5.513 1.00 0.00 O ATOM 0 H TYR A 73 6.474 5.349 10.986 1.00 0.00 H new ATOM 0 HA TYR A 73 5.881 8.111 11.427 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.139 5.618 11.494 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.522 7.256 11.583 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.243 8.601 9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.260 4.827 9.471 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.087 8.692 7.038 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.112 4.912 7.030 1.00 0.00 H new ATOM 0 HH TYR A 73 3.556 6.047 5.185 1.00 0.00 H new ATOM 1226 N PRO A 74 4.956 8.223 13.883 1.00 0.00 N ATOM 1227 CA PRO A 74 4.673 8.311 15.322 1.00 0.00 C ATOM 1228 C PRO A 74 3.763 7.170 15.795 1.00 0.00 C ATOM 1229 O PRO A 74 2.907 6.697 15.041 1.00 0.00 O ATOM 1230 CB PRO A 74 3.966 9.670 15.470 1.00 0.00 C ATOM 1231 CG PRO A 74 4.409 10.459 14.285 1.00 0.00 C ATOM 1232 CD PRO A 74 4.576 9.461 13.171 1.00 0.00 C ATOM 0 HA PRO A 74 5.576 8.228 15.926 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.882 9.553 15.485 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.246 10.163 16.401 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.673 11.219 14.023 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.345 10.979 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.654 9.333 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.345 9.771 12.464 1.00 0.00 H new ATOM 1240 N PRO A 75 3.939 6.711 17.049 1.00 0.00 N ATOM 1241 CA PRO A 75 3.138 5.615 17.609 1.00 0.00 C ATOM 1242 C PRO A 75 1.676 6.016 17.824 1.00 0.00 C ATOM 1243 O PRO A 75 1.296 7.173 17.619 1.00 0.00 O ATOM 1244 CB PRO A 75 3.833 5.314 18.946 1.00 0.00 C ATOM 1245 CG PRO A 75 4.510 6.589 19.315 1.00 0.00 C ATOM 1246 CD PRO A 75 4.930 7.225 18.018 1.00 0.00 C ATOM 0 HA PRO A 75 3.093 4.754 16.942 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.114 5.013 19.707 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.550 4.499 18.845 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.836 7.242 19.870 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.372 6.402 19.955 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.907 8.313 18.078 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.946 6.942 17.742 1.00 0.00 H new ATOM 1254 N GLY A 76 0.862 5.052 18.245 1.00 0.00 N ATOM 1255 CA GLY A 76 -0.558 5.295 18.440 1.00 0.00 C ATOM 1256 C GLY A 76 -1.394 4.714 17.316 1.00 0.00 C ATOM 1257 O GLY A 76 -2.604 4.929 17.270 1.00 0.00 O ATOM 0 H GLY A 76 1.163 4.100 18.456 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.873 4.860 19.388 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.736 6.368 18.507 1.00 0.00 H new ATOM 1261 N LYS A 77 -0.720 4.003 16.398 1.00 0.00 N ATOM 1262 CA LYS A 77 -1.346 3.303 15.253 1.00 0.00 C ATOM 1263 C LYS A 77 -2.307 4.195 14.451 1.00 0.00 C ATOM 1264 O LYS A 77 -3.043 3.703 13.594 1.00 0.00 O ATOM 1265 CB LYS A 77 -2.072 2.016 15.711 1.00 0.00 C ATOM 1266 CG LYS A 77 -3.367 2.253 16.488 1.00 0.00 C ATOM 1267 CD LYS A 77 -4.048 0.949 16.894 1.00 0.00 C ATOM 1268 CE LYS A 77 -5.341 1.206 17.662 1.00 0.00 C ATOM 1269 NZ LYS A 77 -5.104 1.975 18.915 1.00 0.00 N ATOM 0 H LYS A 77 0.294 3.893 16.427 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.527 3.034 14.586 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.297 1.411 14.833 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.392 1.434 16.334 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.150 2.840 17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.051 2.842 15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.264 0.358 16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.369 0.360 17.510 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.037 1.754 17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.813 0.254 17.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.961 1.953 19.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.314 1.549 19.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.871 2.961 18.679 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.255 5.503 14.690 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.202 6.445 14.088 1.00 0.00 C ATOM 1285 C ASN A 78 -3.092 6.452 12.563 1.00 0.00 C ATOM 1286 O ASN A 78 -4.099 6.486 11.853 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.964 7.856 14.642 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.983 8.863 14.134 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -3.770 9.529 13.121 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -5.101 8.973 14.833 1.00 0.00 N ATOM 0 H ASN A 78 -1.563 5.939 15.300 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.210 6.121 14.348 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.000 7.826 15.731 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.963 8.187 14.366 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.825 9.628 14.538 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.239 8.403 15.667 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.860 6.394 12.067 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.605 6.425 10.627 1.00 0.00 C ATOM 1299 C ILE A 79 -2.139 5.147 9.965 1.00 0.00 C ATOM 1300 O ILE A 79 -2.378 5.108 8.755 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.087 6.600 10.303 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.481 7.899 10.921 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.148 6.600 8.791 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.694 7.847 12.424 1.00 0.00 C ATOM 0 H ILE A 79 -1.019 6.325 12.641 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.130 7.291 10.223 1.00 0.00 H new ATOM 0 HB ILE A 79 0.437 5.753 10.746 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.432 8.128 10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.197 8.721 10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.212 6.723 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.195 5.655 8.370 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.405 7.422 8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.094 8.801 12.768 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.257 7.652 12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.398 7.050 12.664 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.356 4.113 10.779 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.864 2.849 10.273 1.00 0.00 C ATOM 1318 C GLY A 80 -4.231 2.995 9.630 1.00 0.00 C ATOM 1319 O GLY A 80 -4.504 2.391 8.590 1.00 0.00 O ATOM 0 H GLY A 80 -2.187 4.131 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.163 2.444 9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.924 2.130 11.090 1.00 0.00 H new ATOM 1323 N SER A 81 -5.087 3.808 10.247 1.00 0.00 N ATOM 1324 CA SER A 81 -6.424 4.065 9.720 1.00 0.00 C ATOM 1325 C SER A 81 -6.339 4.817 8.390 1.00 0.00 C ATOM 1326 O SER A 81 -7.042 4.487 7.432 1.00 0.00 O ATOM 1327 CB SER A 81 -7.242 4.860 10.742 1.00 0.00 C ATOM 1328 OG SER A 81 -7.310 4.171 11.979 1.00 0.00 O ATOM 0 H SER A 81 -4.876 4.301 11.115 1.00 0.00 H new ATOM 0 HA SER A 81 -6.923 3.113 9.538 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.791 5.841 10.891 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.248 5.027 10.358 1.00 0.00 H new ATOM 0 HG SER A 81 -7.835 4.697 12.618 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.461 5.818 8.345 1.00 0.00 N ATOM 1335 CA LEU A 82 -5.190 6.574 7.120 1.00 0.00 C ATOM 1336 C LEU A 82 -4.845 5.610 5.982 1.00 0.00 C ATOM 1337 O LEU A 82 -5.475 5.612 4.913 1.00 0.00 O ATOM 1338 CB LEU A 82 -4.016 7.542 7.366 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.514 8.335 6.140 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -4.472 9.467 5.779 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.110 8.880 6.392 1.00 0.00 C ATOM 0 H LEU A 82 -4.919 6.128 9.152 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.075 7.146 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.315 8.254 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.180 6.970 7.769 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.475 7.650 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.089 10.005 4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.453 9.053 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.559 10.152 6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.773 9.436 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.127 9.542 7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.427 8.052 6.581 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.854 4.768 6.248 1.00 0.00 N ATOM 1354 CA LEU A 83 -3.354 3.804 5.279 1.00 0.00 C ATOM 1355 C LEU A 83 -4.459 2.859 4.809 1.00 0.00 C ATOM 1356 O LEU A 83 -4.726 2.760 3.609 1.00 0.00 O ATOM 1357 CB LEU A 83 -2.194 3.009 5.899 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.659 1.835 5.061 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -1.214 2.302 3.679 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.511 1.144 5.792 1.00 0.00 C ATOM 0 H LEU A 83 -3.373 4.736 7.147 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.996 4.347 4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.371 3.697 6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.520 2.622 6.865 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.469 1.118 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.841 1.451 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.060 2.746 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.422 3.044 3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.142 0.315 5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.295 1.858 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.866 0.765 6.750 1.00 0.00 H new ATOM 1372 N ARG A 84 -5.114 2.188 5.754 1.00 0.00 N ATOM 1373 CA ARG A 84 -6.105 1.164 5.422 1.00 0.00 C ATOM 1374 C ARG A 84 -7.273 1.783 4.648 1.00 0.00 C ATOM 1375 O ARG A 84 -7.769 1.201 3.684 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.608 0.467 6.705 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.949 -1.019 6.529 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.141 -1.255 5.603 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.317 -2.679 5.296 1.00 0.00 N ATOM 1380 CZ ARG A 84 -9.110 -3.154 4.333 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -9.884 -2.335 3.637 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -9.143 -4.453 4.079 1.00 0.00 N ATOM 0 H ARG A 84 -4.978 2.334 6.754 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.633 0.414 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.846 0.563 7.478 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.494 0.990 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.079 -1.541 6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.163 -1.455 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.047 -0.869 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.998 -0.698 4.677 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.797 -3.353 5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.877 -1.335 3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.487 -2.705 2.903 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.562 -5.093 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.750 -4.813 3.343 1.00 0.00 H new ATOM 1396 N SER A 85 -7.689 2.976 5.066 1.00 0.00 N ATOM 1397 CA SER A 85 -8.834 3.648 4.461 1.00 0.00 C ATOM 1398 C SER A 85 -8.544 4.016 3.003 1.00 0.00 C ATOM 1399 O SER A 85 -9.349 3.737 2.113 1.00 0.00 O ATOM 1400 CB SER A 85 -9.203 4.902 5.269 1.00 0.00 C ATOM 1401 OG SER A 85 -10.439 5.454 4.838 1.00 0.00 O ATOM 0 H SER A 85 -7.248 3.498 5.824 1.00 0.00 H new ATOM 0 HA SER A 85 -9.680 2.961 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.266 4.649 6.327 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.415 5.648 5.166 1.00 0.00 H new ATOM 0 HG SER A 85 -10.646 6.249 5.372 1.00 0.00 H new ATOM 1407 N HIS A 86 -7.386 4.631 2.753 1.00 0.00 N ATOM 1408 CA HIS A 86 -7.037 5.050 1.392 1.00 0.00 C ATOM 1409 C HIS A 86 -6.693 3.845 0.516 1.00 0.00 C ATOM 1410 O HIS A 86 -7.050 3.809 -0.662 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.885 6.065 1.393 1.00 0.00 C ATOM 1412 CG HIS A 86 -6.263 7.391 1.986 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -7.033 8.323 1.323 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.985 7.930 3.192 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -7.211 9.376 2.101 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -6.588 9.163 3.243 1.00 0.00 N ATOM 0 H HIS A 86 -6.684 4.848 3.461 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.913 5.541 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -5.046 5.651 1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.543 6.217 0.369 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -7.407 8.216 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.396 7.475 3.974 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -7.772 10.262 1.844 1.00 0.00 H new ATOM 1425 N TYR A 87 -6.016 2.855 1.096 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.697 1.624 0.374 1.00 0.00 C ATOM 1427 C TYR A 87 -6.992 0.993 -0.129 1.00 0.00 C ATOM 1428 O TYR A 87 -7.099 0.589 -1.289 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.948 0.637 1.294 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.319 -0.555 0.576 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.099 -1.458 -0.145 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.943 -0.773 0.612 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.532 -2.532 -0.801 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.369 -1.846 -0.047 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.170 -2.723 -0.752 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.606 -3.778 -1.432 1.00 0.00 O ATOM 0 H TYR A 87 -5.679 2.880 2.058 1.00 0.00 H new ATOM 0 HA TYR A 87 -5.050 1.859 -0.471 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.165 1.179 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.643 0.265 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.168 -1.314 -0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.313 -0.092 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.156 -3.221 -1.351 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.300 -1.997 -0.010 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.954 -4.621 -1.074 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.980 0.969 0.756 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.256 0.307 0.509 1.00 0.00 C ATOM 1448 C GLU A 88 -9.924 0.783 -0.787 1.00 0.00 C ATOM 1449 O GLU A 88 -10.573 -0.002 -1.481 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.187 0.540 1.706 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.521 -0.190 1.620 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.332 -0.054 2.898 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -11.957 -0.683 3.910 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.333 0.690 2.906 1.00 0.00 O ATOM 0 H GLU A 88 -7.919 1.412 1.673 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.061 -0.759 0.387 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.674 0.227 2.615 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.378 1.609 1.799 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.096 0.205 0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.343 -1.246 1.415 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.758 2.059 -1.122 1.00 0.00 N ATOM 1462 CA ARG A 89 -10.462 2.639 -2.269 1.00 0.00 C ATOM 1463 C ARG A 89 -9.515 3.026 -3.405 1.00 0.00 C ATOM 1464 O ARG A 89 -9.965 3.367 -4.499 1.00 0.00 O ATOM 1465 CB ARG A 89 -11.281 3.854 -1.814 1.00 0.00 C ATOM 1466 CG ARG A 89 -12.429 3.488 -0.879 1.00 0.00 C ATOM 1467 CD ARG A 89 -13.181 4.716 -0.380 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.344 5.571 0.466 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.353 5.540 1.803 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -13.124 4.671 2.447 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -11.589 6.377 2.496 1.00 0.00 N ATOM 0 H ARG A 89 -9.149 2.708 -0.624 1.00 0.00 H new ATOM 0 HA ARG A 89 -11.129 1.874 -2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.622 4.561 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -11.683 4.362 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.122 2.827 -1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.038 2.933 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.540 5.292 -1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.059 4.399 0.183 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.716 6.230 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.712 4.024 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.128 4.651 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.993 7.046 2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.598 6.351 3.516 1.00 0.00 H new ATOM 1485 N ILE A 90 -8.208 2.966 -3.159 1.00 0.00 N ATOM 1486 CA ILE A 90 -7.225 3.354 -4.178 1.00 0.00 C ATOM 1487 C ILE A 90 -6.313 2.189 -4.560 1.00 0.00 C ATOM 1488 O ILE A 90 -6.121 1.903 -5.742 1.00 0.00 O ATOM 1489 CB ILE A 90 -6.354 4.554 -3.703 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -7.215 5.822 -3.557 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -5.187 4.807 -4.664 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -7.817 6.313 -4.861 1.00 0.00 C ATOM 0 H ILE A 90 -7.805 2.657 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.796 3.654 -5.057 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.938 4.300 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -8.020 5.623 -2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.604 6.617 -3.129 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.597 5.651 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.557 3.919 -4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.576 5.032 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.409 7.209 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.018 6.546 -5.565 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.457 5.537 -5.281 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.762 1.507 -3.561 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.713 0.517 -3.804 1.00 0.00 C ATOM 1506 C VAL A 91 -5.258 -0.919 -3.797 1.00 0.00 C ATOM 1507 O VAL A 91 -4.548 -1.853 -4.161 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.568 0.659 -2.765 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -2.351 -0.180 -3.157 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -3.174 2.127 -2.586 1.00 0.00 C ATOM 0 H VAL A 91 -6.021 1.619 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.316 0.715 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.940 0.283 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.568 -0.058 -2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.637 -1.230 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.980 0.149 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.370 2.201 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.834 2.531 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.036 2.695 -2.237 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.523 -1.100 -3.404 1.00 0.00 N ATOM 1521 CA TYR A 92 -7.138 -2.438 -3.410 1.00 0.00 C ATOM 1522 C TYR A 92 -7.063 -3.084 -4.810 1.00 0.00 C ATOM 1523 O TYR A 92 -6.841 -4.290 -4.917 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.595 -2.407 -2.895 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.830 -3.268 -1.651 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.222 -4.515 -1.506 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.644 -2.825 -0.615 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.425 -5.282 -0.372 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -9.845 -3.583 0.517 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.237 -4.806 0.636 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.451 -5.556 1.766 1.00 0.00 O ATOM 0 H TYR A 92 -7.136 -0.351 -3.082 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.562 -3.055 -2.721 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.869 -1.376 -2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.259 -2.746 -3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.582 -4.888 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.130 -1.864 -0.700 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.950 -6.247 -0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.480 -3.215 1.309 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.366 -5.907 1.757 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.259 -2.312 -5.911 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.978 -2.809 -7.266 1.00 0.00 C ATOM 1543 C PRO A 93 -5.578 -3.429 -7.365 1.00 0.00 C ATOM 1544 O PRO A 93 -5.381 -4.454 -8.021 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.083 -1.550 -8.136 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.052 -0.680 -7.411 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.827 -0.942 -5.942 1.00 0.00 C ATOM 0 HA PRO A 93 -7.663 -3.601 -7.570 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.115 -1.061 -8.246 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.436 -1.788 -9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.887 0.371 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.077 -0.915 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.142 -0.215 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.758 -0.882 -5.378 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.615 -2.806 -6.685 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.238 -3.294 -6.669 1.00 0.00 C ATOM 1557 C TYR A 94 -3.090 -4.490 -5.736 1.00 0.00 C ATOM 1558 O TYR A 94 -2.171 -5.287 -5.895 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.259 -2.182 -6.273 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.961 -1.219 -7.404 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.927 -1.478 -8.297 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.711 -0.063 -7.586 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.649 -0.614 -9.336 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.436 0.807 -8.621 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.404 0.528 -9.494 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.138 1.383 -10.536 1.00 0.00 O ATOM 0 H TYR A 94 -4.765 -1.959 -6.136 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.994 -3.617 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.671 -1.627 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.327 -2.632 -5.932 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.331 -2.371 -8.175 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.521 0.158 -6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.156 -0.832 -10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.026 1.703 -8.748 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.880 2.260 -10.182 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.984 -4.606 -4.761 1.00 0.00 N ATOM 1577 CA GLU A 95 -4.045 -5.802 -3.924 1.00 0.00 C ATOM 1578 C GLU A 95 -4.337 -7.009 -4.810 1.00 0.00 C ATOM 1579 O GLU A 95 -3.597 -7.993 -4.815 1.00 0.00 O ATOM 1580 CB GLU A 95 -5.132 -5.645 -2.846 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.355 -6.884 -1.980 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.125 -7.289 -1.180 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.355 -6.397 -0.763 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.934 -8.507 -0.963 1.00 0.00 O ATOM 0 H GLU A 95 -4.674 -3.891 -4.530 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.090 -5.946 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.865 -4.809 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.072 -5.384 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.180 -6.695 -1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.655 -7.715 -2.618 1.00 0.00 H new ATOM 1591 N MET A 96 -5.402 -6.897 -5.596 1.00 0.00 N ATOM 1592 CA MET A 96 -5.789 -7.948 -6.531 1.00 0.00 C ATOM 1593 C MET A 96 -4.724 -8.127 -7.613 1.00 0.00 C ATOM 1594 O MET A 96 -4.477 -9.240 -8.073 1.00 0.00 O ATOM 1595 CB MET A 96 -7.149 -7.623 -7.169 1.00 0.00 C ATOM 1596 CG MET A 96 -8.302 -7.604 -6.172 1.00 0.00 C ATOM 1597 SD MET A 96 -8.566 -9.214 -5.396 1.00 0.00 S ATOM 1598 CE MET A 96 -9.917 -8.842 -4.278 1.00 0.00 C ATOM 0 H MET A 96 -6.017 -6.083 -5.604 1.00 0.00 H new ATOM 0 HA MET A 96 -5.877 -8.883 -5.978 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.088 -6.652 -7.660 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.362 -8.359 -7.944 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.100 -6.861 -5.401 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.215 -7.295 -6.682 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.192 -9.742 -3.727 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.606 -8.068 -3.576 1.00 0.00 H new ATOM 0 HE3 MET A 96 -10.776 -8.490 -4.850 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.097 -7.024 -8.014 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.031 -7.056 -9.017 1.00 0.00 C ATOM 1610 C TYR A 97 -1.825 -7.858 -8.506 1.00 0.00 C ATOM 1611 O TYR A 97 -1.489 -8.912 -9.055 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.624 -5.614 -9.381 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.475 -5.495 -10.375 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.630 -5.874 -11.706 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.238 -4.993 -9.979 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.586 -5.758 -12.608 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.807 -4.875 -10.875 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.630 -5.259 -12.188 1.00 0.00 C ATOM 1619 OH TYR A 97 1.672 -5.143 -13.083 1.00 0.00 O ATOM 0 H TYR A 97 -4.309 -6.092 -7.659 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.399 -7.555 -9.914 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.493 -5.101 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.348 -5.090 -8.466 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.580 -6.265 -12.040 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.093 -4.690 -8.953 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.723 -6.057 -13.637 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.759 -4.483 -10.549 1.00 0.00 H new ATOM 0 HH TYR A 97 1.315 -4.984 -13.982 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.205 -7.369 -7.434 1.00 0.00 N ATOM 1630 CA GLN A 98 0.003 -7.984 -6.881 1.00 0.00 C ATOM 1631 C GLN A 98 -0.292 -9.386 -6.354 1.00 0.00 C ATOM 1632 O GLN A 98 0.307 -10.372 -6.798 1.00 0.00 O ATOM 1633 CB GLN A 98 0.565 -7.117 -5.742 1.00 0.00 C ATOM 1634 CG GLN A 98 0.872 -5.676 -6.143 1.00 0.00 C ATOM 1635 CD GLN A 98 1.268 -4.809 -4.957 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.449 -4.672 -4.633 1.00 0.00 O ATOM 1637 NE2 GLN A 98 0.279 -4.237 -4.288 1.00 0.00 N ATOM 0 H GLN A 98 -1.521 -6.542 -6.927 1.00 0.00 H new ATOM 0 HA GLN A 98 0.740 -8.058 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.151 -7.109 -4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.477 -7.579 -5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.678 -5.671 -6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.003 -5.244 -6.628 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.686 -4.375 -4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.482 -3.659 -3.473 1.00 0.00 H new ATOM 1646 N SER A 99 -1.241 -9.474 -5.426 1.00 0.00 N ATOM 1647 CA SER A 99 -1.582 -10.743 -4.803 1.00 0.00 C ATOM 1648 C SER A 99 -2.202 -11.694 -5.822 1.00 0.00 C ATOM 1649 O SER A 99 -1.927 -12.887 -5.801 1.00 0.00 O ATOM 1650 CB SER A 99 -2.516 -10.521 -3.612 1.00 0.00 C ATOM 1651 OG SER A 99 -1.907 -9.668 -2.656 1.00 0.00 O ATOM 0 H SER A 99 -1.786 -8.680 -5.091 1.00 0.00 H new ATOM 0 HA SER A 99 -0.667 -11.204 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.454 -10.083 -3.954 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.761 -11.478 -3.151 1.00 0.00 H new ATOM 0 HG SER A 99 -2.597 -9.273 -2.083 1.00 0.00 H new ATOM 1657 N GLY A 100 -3.011 -11.165 -6.737 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.578 -11.999 -7.783 1.00 0.00 C ATOM 1659 C GLY A 100 -2.505 -12.573 -8.689 1.00 0.00 C ATOM 1660 O GLY A 100 -2.644 -13.683 -9.207 1.00 0.00 O ATOM 0 H GLY A 100 -3.282 -10.182 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.146 -12.812 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.279 -11.412 -8.376 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.431 -11.808 -8.883 1.00 0.00 N ATOM 1665 CA ALA A 101 -0.299 -12.258 -9.686 1.00 0.00 C ATOM 1666 C ALA A 101 0.535 -13.298 -8.934 1.00 0.00 C ATOM 1667 O ALA A 101 1.081 -14.221 -9.541 1.00 0.00 O ATOM 1668 CB ALA A 101 0.568 -11.071 -10.089 1.00 0.00 C ATOM 0 H ALA A 101 -1.323 -10.872 -8.493 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.691 -12.731 -10.587 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.409 -11.421 -10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.026 -10.368 -10.674 1.00 0.00 H new ATOM 0 HB3 ALA A 101 0.942 -10.573 -9.194 1.00 0.00 H new ATOM 1674 N ASN A 102 0.636 -13.143 -7.614 1.00 0.00 N ATOM 1675 CA ASN A 102 1.436 -14.059 -6.790 1.00 0.00 C ATOM 1676 C ASN A 102 0.611 -15.293 -6.402 1.00 0.00 C ATOM 1677 O ASN A 102 0.965 -16.420 -6.757 1.00 0.00 O ATOM 1678 CB ASN A 102 1.942 -13.329 -5.530 1.00 0.00 C ATOM 1679 CG ASN A 102 3.103 -14.031 -4.817 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.129 -15.358 -4.818 1.00 0.00 O flip ATOM 1681 ND2 ASN A 102 3.976 -13.370 -4.251 1.00 0.00 N flip ATOM 0 H ASN A 102 0.178 -12.397 -7.091 1.00 0.00 H new ATOM 0 HA ASN A 102 2.296 -14.393 -7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.257 -12.324 -5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.114 -13.221 -4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.933 -12.351 -4.265 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.741 -13.842 -3.769 1.00 0.00 H new ATOM 1688 N LEU A 103 -0.478 -15.064 -5.674 1.00 0.00 N ATOM 1689 CA LEU A 103 -1.395 -16.125 -5.248 1.00 0.00 C ATOM 1690 C LEU A 103 -2.658 -15.502 -4.642 1.00 0.00 C ATOM 1691 O LEU A 103 -2.577 -14.621 -3.784 1.00 0.00 O ATOM 1692 CB LEU A 103 -0.700 -17.089 -4.255 1.00 0.00 C ATOM 1693 CG LEU A 103 -0.006 -16.443 -3.030 1.00 0.00 C ATOM 1694 CD1 LEU A 103 -0.982 -16.236 -1.871 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.191 -17.285 -2.581 1.00 0.00 C ATOM 0 H LEU A 103 -0.754 -14.134 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.687 -16.716 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.444 -17.797 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.045 -17.664 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 103 0.353 -15.461 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.458 -15.781 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.793 -15.581 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.392 -17.198 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.664 -16.814 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.851 -18.284 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.911 -17.358 -3.396 1.00 0.00 H new ATOM 1707 N VAL A 104 -3.825 -15.939 -5.106 1.00 0.00 N ATOM 1708 CA VAL A 104 -5.084 -15.324 -4.692 1.00 0.00 C ATOM 1709 C VAL A 104 -5.737 -16.096 -3.537 1.00 0.00 C ATOM 1710 O VAL A 104 -6.611 -16.944 -3.730 1.00 0.00 O ATOM 1711 CB VAL A 104 -6.067 -15.161 -5.888 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -6.350 -16.499 -6.572 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -7.364 -14.481 -5.441 1.00 0.00 C ATOM 0 H VAL A 104 -3.926 -16.711 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.846 -14.325 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.586 -14.517 -6.624 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.040 -16.345 -7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.418 -16.919 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.794 -17.188 -5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.034 -14.379 -6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.845 -15.085 -4.672 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.137 -13.494 -5.038 1.00 0.00 H new ATOM 1723 N CYS A 105 -5.268 -15.812 -2.327 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.840 -16.388 -1.108 1.00 0.00 C ATOM 1725 C CYS A 105 -6.237 -15.269 -0.144 1.00 0.00 C ATOM 1726 O CYS A 105 -6.552 -15.507 1.022 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.826 -17.333 -0.450 1.00 0.00 C ATOM 1728 SG CYS A 105 -4.257 -18.658 -1.538 1.00 0.00 S ATOM 0 H CYS A 105 -4.485 -15.180 -2.160 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.731 -16.961 -1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.965 -16.753 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.277 -17.773 0.439 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.404 -19.405 -0.902 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.236 -14.048 -0.666 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.511 -12.845 0.123 1.00 0.00 C ATOM 1736 C ASN A 106 -8.003 -12.514 0.121 1.00 0.00 C ATOM 1737 O ASN A 106 -8.514 -11.888 1.049 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.716 -11.665 -0.458 1.00 0.00 C ATOM 1739 CG ASN A 106 -6.100 -11.361 -1.902 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -6.563 -12.240 -2.636 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.886 -10.129 -2.330 1.00 0.00 N ATOM 0 H ASN A 106 -6.044 -13.860 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.207 -13.028 1.153 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.886 -10.779 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.650 -11.888 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -6.105 -9.879 -3.294 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.502 -9.428 -1.696 1.00 0.00 H new ATOM 1748 N THR A 107 -8.696 -12.964 -0.919 1.00 0.00 N ATOM 1749 CA THR A 107 -10.090 -12.596 -1.151 1.00 0.00 C ATOM 1750 C THR A 107 -11.029 -13.102 -0.046 1.00 0.00 C ATOM 1751 O THR A 107 -12.021 -12.446 0.284 1.00 0.00 O ATOM 1752 CB THR A 107 -10.559 -13.132 -2.522 1.00 0.00 C ATOM 1753 OG1 THR A 107 -9.596 -12.777 -3.526 1.00 0.00 O ATOM 1754 CG2 THR A 107 -11.926 -12.568 -2.906 1.00 0.00 C ATOM 0 H THR A 107 -8.310 -13.592 -1.624 1.00 0.00 H new ATOM 0 HA THR A 107 -10.136 -11.507 -1.140 1.00 0.00 H new ATOM 0 HB THR A 107 -10.649 -14.216 -2.451 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.890 -13.117 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 107 -12.225 -12.966 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.662 -12.854 -2.154 1.00 0.00 H new ATOM 0 HG23 THR A 107 -11.868 -11.481 -2.962 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.717 -14.256 0.539 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.591 -14.844 1.556 1.00 0.00 C ATOM 1764 C ARG A 108 -11.491 -14.074 2.883 1.00 0.00 C ATOM 1765 O ARG A 108 -12.519 -13.728 3.472 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.282 -16.343 1.748 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.311 -17.107 2.596 1.00 0.00 C ATOM 1768 CD ARG A 108 -11.758 -17.533 3.958 1.00 0.00 C ATOM 1769 NE ARG A 108 -11.601 -16.409 4.888 1.00 0.00 N ATOM 1770 CZ ARG A 108 -10.913 -16.478 6.034 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -10.289 -17.598 6.373 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -10.849 -15.426 6.845 1.00 0.00 N ATOM 0 H ARG A 108 -9.878 -14.798 0.332 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.620 -14.761 1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.217 -16.815 0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.302 -16.441 2.215 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.189 -16.479 2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.640 -17.991 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.425 -18.273 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.792 -18.019 3.817 1.00 0.00 H new ATOM 0 HE ARG A 108 -12.043 -15.522 4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.332 -18.412 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.766 -17.646 7.247 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.326 -14.560 6.595 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.323 -15.485 7.717 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.265 -13.811 3.404 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.093 -12.932 4.571 1.00 0.00 C ATOM 1788 C PRO A 109 -10.685 -11.543 4.320 1.00 0.00 C ATOM 1789 O PRO A 109 -11.246 -10.925 5.224 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.568 -12.858 4.752 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.052 -14.099 4.108 1.00 0.00 C ATOM 1792 CD PRO A 109 -8.973 -14.367 2.949 1.00 0.00 C ATOM 0 HA PRO A 109 -10.607 -13.309 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.156 -11.966 4.280 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.296 -12.816 5.807 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.024 -13.967 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.052 -14.933 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.625 -13.881 2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.048 -15.433 2.733 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.559 -11.081 3.078 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.123 -9.803 2.638 1.00 0.00 C ATOM 1802 C PHE A 110 -12.614 -9.738 2.978 1.00 0.00 C ATOM 1803 O PHE A 110 -13.079 -8.787 3.615 1.00 0.00 O ATOM 1804 CB PHE A 110 -10.885 -9.662 1.121 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.339 -8.373 0.464 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -11.842 -7.301 1.192 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -11.249 -8.250 -0.916 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.247 -6.139 0.552 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -11.653 -7.092 -1.555 1.00 0.00 C ATOM 1810 CZ PHE A 110 -12.153 -6.037 -0.820 1.00 0.00 C ATOM 0 H PHE A 110 -10.061 -11.584 2.344 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.636 -8.976 3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.817 -9.778 0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -11.388 -10.491 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -11.918 -7.374 2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.858 -9.071 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.636 -5.313 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.577 -7.014 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 110 -12.470 -5.133 -1.318 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.353 -10.767 2.578 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.785 -10.829 2.858 1.00 0.00 C ATOM 1822 C ASP A 111 -15.034 -10.868 4.365 1.00 0.00 C ATOM 1823 O ASP A 111 -15.998 -10.279 4.863 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.423 -12.055 2.192 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.937 -12.070 2.347 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -17.633 -11.501 1.478 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.443 -12.631 3.342 1.00 0.00 O ATOM 0 H ASP A 111 -12.987 -11.567 2.061 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.246 -9.932 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.168 -12.065 1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.006 -12.962 2.629 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.147 -11.553 5.086 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.263 -11.682 6.540 1.00 0.00 C ATOM 1834 C ASN A 112 -14.081 -10.325 7.221 1.00 0.00 C ATOM 1835 O ASN A 112 -14.775 -10.011 8.186 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.245 -12.699 7.083 1.00 0.00 C ATOM 1837 CG ASN A 112 -13.286 -12.851 8.601 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -12.268 -13.145 9.227 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -14.457 -12.667 9.202 1.00 0.00 N ATOM 0 H ASN A 112 -13.338 -12.029 4.687 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.264 -12.048 6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.433 -13.669 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.243 -12.393 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -14.532 -12.769 10.214 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -15.280 -12.424 8.651 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.158 -9.517 6.707 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.968 -8.161 7.214 1.00 0.00 C ATOM 1848 C GLU A 113 -14.210 -7.329 6.907 1.00 0.00 C ATOM 1849 O GLU A 113 -14.646 -6.510 7.714 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.715 -7.517 6.599 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.445 -6.092 7.084 1.00 0.00 C ATOM 1852 CD GLU A 113 -11.293 -5.994 8.599 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.201 -6.317 9.112 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -12.261 -5.585 9.278 1.00 0.00 O ATOM 0 H GLU A 113 -12.533 -9.776 5.944 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.821 -8.201 8.293 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.850 -8.138 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.820 -7.507 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.538 -5.719 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.262 -5.445 6.764 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.790 -7.570 5.733 1.00 0.00 N ATOM 1862 CA GLU A 114 -16.048 -6.937 5.347 1.00 0.00 C ATOM 1863 C GLU A 114 -17.152 -7.357 6.328 1.00 0.00 C ATOM 1864 O GLU A 114 -18.059 -6.582 6.627 1.00 0.00 O ATOM 1865 CB GLU A 114 -16.397 -7.319 3.891 1.00 0.00 C ATOM 1866 CG GLU A 114 -17.482 -6.461 3.228 1.00 0.00 C ATOM 1867 CD GLU A 114 -18.902 -6.851 3.616 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -19.343 -7.952 3.225 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -19.581 -6.061 4.304 1.00 0.00 O ATOM 0 H GLU A 114 -14.406 -8.202 5.030 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.953 -5.852 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.490 -7.256 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.720 -8.360 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.318 -5.417 3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.379 -6.535 2.145 1.00 0.00 H new ATOM 1876 N LYS A 115 -17.046 -8.586 6.848 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.983 -9.084 7.863 1.00 0.00 C ATOM 1878 C LYS A 115 -17.756 -8.382 9.207 1.00 0.00 C ATOM 1879 O LYS A 115 -18.604 -8.459 10.098 1.00 0.00 O ATOM 1880 CB LYS A 115 -17.829 -10.606 8.071 1.00 0.00 C ATOM 1881 CG LYS A 115 -18.044 -11.482 6.832 1.00 0.00 C ATOM 1882 CD LYS A 115 -19.487 -11.463 6.313 1.00 0.00 C ATOM 1883 CE LYS A 115 -19.729 -10.335 5.316 1.00 0.00 C ATOM 1884 NZ LYS A 115 -18.782 -10.400 4.169 1.00 0.00 N ATOM 0 H LYS A 115 -16.322 -9.253 6.583 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.988 -8.870 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -16.829 -10.800 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.535 -10.920 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.376 -11.146 6.039 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.765 -12.509 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -19.713 -12.418 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.172 -11.355 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -20.753 -10.390 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.624 -9.375 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.100 -9.753 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.832 -10.122 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.752 -11.371 3.798 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.601 -7.721 9.340 1.00 0.00 N ATOM 1899 CA ASP A 116 -16.168 -7.068 10.588 1.00 0.00 C ATOM 1900 C ASP A 116 -15.679 -8.099 11.603 1.00 0.00 C ATOM 1901 O ASP A 116 -14.550 -8.012 12.095 1.00 0.00 O ATOM 1902 CB ASP A 116 -17.273 -6.193 11.213 1.00 0.00 C ATOM 1903 CG ASP A 116 -17.521 -4.910 10.437 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -16.702 -3.972 10.557 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -18.535 -4.824 9.713 1.00 0.00 O ATOM 0 H ASP A 116 -15.931 -7.621 8.578 1.00 0.00 H new ATOM 0 HA ASP A 116 -15.342 -6.409 10.321 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -18.199 -6.766 11.263 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -16.997 -5.944 12.238 1.00 0.00 H new ATOM 1910 N LYS A 117 -16.529 -9.071 11.912 1.00 0.00 N ATOM 1911 CA LYS A 117 -16.182 -10.129 12.857 1.00 0.00 C ATOM 1912 C LYS A 117 -15.491 -11.296 12.135 1.00 0.00 C ATOM 1913 O LYS A 117 -16.160 -12.005 11.360 1.00 0.00 O ATOM 1914 CB LYS A 117 -17.417 -10.611 13.666 1.00 0.00 C ATOM 1915 CG LYS A 117 -18.791 -10.266 13.074 1.00 0.00 C ATOM 1916 CD LYS A 117 -19.098 -11.029 11.786 1.00 0.00 C ATOM 1917 CE LYS A 117 -20.537 -10.800 11.320 1.00 0.00 C ATOM 1918 NZ LYS A 117 -20.853 -9.357 11.127 1.00 0.00 N ATOM 1919 OXT LYS A 117 -14.276 -11.504 12.360 1.00 0.00 O ATOM 0 H LYS A 117 -17.468 -9.150 11.521 1.00 0.00 H new ATOM 0 HA LYS A 117 -15.478 -9.712 13.577 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -17.353 -11.694 13.776 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -17.358 -10.185 14.667 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -19.563 -10.485 13.812 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.835 -9.195 12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -18.408 -10.714 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.933 -12.094 11.946 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -20.701 -11.333 10.383 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.224 -11.224 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -21.694 -9.264 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -21.040 -8.916 12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -20.046 -8.883 10.674 1.00 0.00 H new TER 1933 LYS A 117