USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 81 LYS NZ :NH3+ 156:sc= -11.9! (180deg=-13.7!) USER MOD Set 1.2: A 93 TYR OH : rot 50:sc= -7.31! USER MOD Set 1.3: A 94 HIS :FLIP no HD1:sc= -31.9! C(o=-60!,f=-51!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -152:sc= -2.05! (180deg=-1.58!) USER MOD Set 2.2: A 64 TYR OH : rot 161:sc= -1.22! USER MOD Set 3.1: A 48 SER OG : rot -120:sc= -1.92 USER MOD Set 3.2: A 63 HIS :FLIP no HE2:sc= -0.718 F(o=-6.8!,f=-2.6) USER MOD Set 4.1: A 44 THR OG1 : rot -80:sc= -11.2! USER MOD Set 4.2: A 46 THR OG1 : rot 62:sc= -3.44! USER MOD Set 4.3: A 65 HIS : no HE2:sc= -13! C(o=-28!,f=-38!) USER MOD Set 5.1: A 13 ASN :FLIP amide:sc= -8.21! C(o=-44!,f=-33!) USER MOD Set 5.2: A 35 MET CE :methyl -132:sc= -24.6! (180deg=-21.2!) USER MOD Set 6.1: A 28 THR OG1 : rot 80:sc= -7.14! USER MOD Set 6.2: A 30 LYS NZ :NH3+ 156:sc= -3.86! (180deg=-4.87!) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.59 F(o=-1.9!,f=-0.59) USER MOD Single : A 5 ASN : amide:sc= -1.16! X(o=-1.2!,f=-0.99) USER MOD Single : A 8 THR OG1 : rot -80:sc= -0.104! USER MOD Single : A 9 TYR OH : rot -15:sc= -3.28! USER MOD Single : A 12 TYR OH : rot 110:sc= -3.29! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -92:sc= 0.0639 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= -1.15! (180deg=-1.83!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.154! USER MOD Single : A 41 THR OG1 : rot -172:sc= -7.29! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -121:sc= -11.8! USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00832) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -7.09! C(o=-7.1!,f=-7.8!) USER MOD Single : A 60 CYS SG : rot 108:sc=-0.00474 USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= -0.0126 (180deg=-0.482) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.0976 K(o=0.098,f=-0.95) USER MOD Single : A 72 SER OG : rot 180:sc= -1.71 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -55:sc= 0.427 USER MOD Single : A 77 TYR OH : rot 127:sc= -2.86! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 58:sc= -0.585 USER MOD Single : A 92 GLN :FLIP amide:sc= -2.12! C(o=-4.8!,f=-2.1!) USER MOD Single : A 95 GLN :FLIP amide:sc= -2.32! C(o=-3.5!,f=-2.3!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -5.88! C(o=-5.9!,f=-11!) USER MOD Single : A 103 THR OG1 : rot 12:sc= -4.45! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -44:sc= 0.333 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.673 10.321 5.924 1.00 0.00 C HETATM 2 O ACE A 3 -13.811 9.885 7.066 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.577 11.405 5.396 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.981 12.276 5.125 1.00 0.00 H new HETATM 0 H2 ACE A 3 -15.107 11.040 4.517 1.00 0.00 H new HETATM 0 H3 ACE A 3 -15.298 11.684 6.165 1.00 0.00 H new ATOM 7 N ASN A 4 -12.739 9.877 5.088 1.00 0.00 N ATOM 8 CA ASN A 4 -11.801 8.829 5.476 1.00 0.00 C ATOM 9 C ASN A 4 -10.411 9.108 4.914 1.00 0.00 C ATOM 10 O ASN A 4 -9.841 8.279 4.204 1.00 0.00 O ATOM 11 CB ASN A 4 -12.298 7.467 4.990 1.00 0.00 C ATOM 12 CG ASN A 4 -13.466 7.586 4.031 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.322 8.441 3.025 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -14.487 6.917 4.193 1.00 0.00 N flip ATOM 0 H ASN A 4 -12.612 10.226 4.138 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.736 8.817 6.564 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.481 6.939 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.596 6.865 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.554 6.272 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.265 7.008 3.540 1.00 0.00 H new ATOM 21 N ASN A 5 -9.871 10.277 5.237 1.00 0.00 N ATOM 22 CA ASN A 5 -8.546 10.664 4.765 1.00 0.00 C ATOM 23 C ASN A 5 -7.467 9.795 5.401 1.00 0.00 C ATOM 24 O ASN A 5 -7.567 9.418 6.569 1.00 0.00 O ATOM 25 CB ASN A 5 -8.281 12.138 5.078 1.00 0.00 C ATOM 26 CG ASN A 5 -8.788 12.539 6.449 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.215 13.674 6.658 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.745 11.605 7.393 1.00 0.00 N ATOM 0 H ASN A 5 -10.330 10.974 5.824 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.515 10.518 3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.210 12.332 5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.760 12.759 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.074 11.816 8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.383 10.677 7.176 1.00 0.00 H new ATOM 35 N LEU A 6 -6.434 9.480 4.626 1.00 0.00 N ATOM 36 CA LEU A 6 -5.335 8.655 5.115 1.00 0.00 C ATOM 37 C LEU A 6 -4.325 9.493 5.892 1.00 0.00 C ATOM 38 O LEU A 6 -4.432 9.654 7.107 1.00 0.00 O ATOM 39 CB LEU A 6 -4.624 7.963 3.949 1.00 0.00 C ATOM 40 CG LEU A 6 -5.487 7.019 3.112 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.628 5.915 2.519 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.612 6.430 3.948 1.00 0.00 C ATOM 0 H LEU A 6 -6.335 9.783 3.657 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.758 7.903 5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.214 8.729 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.780 7.398 4.346 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.935 7.590 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.252 5.248 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.859 6.354 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.156 5.350 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.212 5.762 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.190 5.871 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.241 7.234 4.330 1.00 0.00 H new ATOM 54 N GLU A 7 -3.340 10.015 5.170 1.00 0.00 N ATOM 55 CA GLU A 7 -2.290 10.835 5.762 1.00 0.00 C ATOM 56 C GLU A 7 -2.196 10.620 7.265 1.00 0.00 C ATOM 57 O GLU A 7 -2.060 11.573 8.031 1.00 0.00 O ATOM 58 CB GLU A 7 -2.533 12.314 5.457 1.00 0.00 C ATOM 59 CG GLU A 7 -3.986 12.643 5.155 1.00 0.00 C ATOM 60 CD GLU A 7 -4.640 13.457 6.253 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.941 14.285 6.875 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.851 13.267 6.491 1.00 0.00 O ATOM 0 H GLU A 7 -3.247 9.883 4.163 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.342 10.530 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.203 12.911 6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.919 12.606 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.042 13.195 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.543 11.717 5.014 1.00 0.00 H new ATOM 69 N THR A 8 -2.273 9.363 7.682 1.00 0.00 N ATOM 70 CA THR A 8 -2.200 9.027 9.085 1.00 0.00 C ATOM 71 C THR A 8 -1.625 7.628 9.284 1.00 0.00 C ATOM 72 O THR A 8 -1.710 7.064 10.375 1.00 0.00 O ATOM 73 CB THR A 8 -3.593 9.107 9.688 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.520 8.374 8.907 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.109 10.524 9.804 1.00 0.00 C ATOM 0 H THR A 8 -2.386 8.562 7.061 1.00 0.00 H new ATOM 0 HA THR A 8 -1.538 9.736 9.583 1.00 0.00 H new ATOM 0 HB THR A 8 -3.502 8.686 10.689 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.793 8.911 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.107 10.513 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.440 11.104 10.440 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.152 10.978 8.814 1.00 0.00 H new ATOM 83 N TYR A 9 -1.059 7.062 8.222 1.00 0.00 N ATOM 84 CA TYR A 9 -0.495 5.724 8.288 1.00 0.00 C ATOM 85 C TYR A 9 0.968 5.697 7.887 1.00 0.00 C ATOM 86 O TYR A 9 1.340 6.182 6.819 1.00 0.00 O ATOM 87 CB TYR A 9 -1.287 4.797 7.386 1.00 0.00 C ATOM 88 CG TYR A 9 -2.756 4.881 7.674 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.562 5.803 7.020 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.331 4.063 8.629 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.906 5.902 7.314 1.00 0.00 C ATOM 92 CE2 TYR A 9 -4.671 4.151 8.926 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.457 5.074 8.268 1.00 0.00 C ATOM 94 OH TYR A 9 -6.797 5.168 8.565 1.00 0.00 O ATOM 0 H TYR A 9 -0.980 7.510 7.309 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.557 5.390 9.324 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.103 5.056 6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.945 3.771 7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.131 6.451 6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.718 3.343 9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.523 6.624 6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.106 3.501 9.671 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.154 6.006 8.204 1.00 0.00 H new ATOM 104 N GLU A 10 1.792 5.104 8.739 1.00 0.00 N ATOM 105 CA GLU A 10 3.211 4.990 8.453 1.00 0.00 C ATOM 106 C GLU A 10 3.414 4.629 6.994 1.00 0.00 C ATOM 107 O GLU A 10 4.451 4.917 6.404 1.00 0.00 O ATOM 108 CB GLU A 10 3.846 3.904 9.315 1.00 0.00 C ATOM 109 CG GLU A 10 2.830 2.962 9.914 1.00 0.00 C ATOM 110 CD GLU A 10 2.782 3.032 11.428 1.00 0.00 C ATOM 111 OE1 GLU A 10 3.854 3.191 12.049 1.00 0.00 O ATOM 112 OE2 GLU A 10 1.673 2.928 11.993 1.00 0.00 O ATOM 0 H GLU A 10 1.503 4.697 9.628 1.00 0.00 H new ATOM 0 HA GLU A 10 3.681 5.949 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.551 3.333 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.418 4.371 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.844 3.196 9.513 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.064 1.942 9.610 1.00 0.00 H new ATOM 119 N TRP A 11 2.420 3.954 6.436 1.00 0.00 N ATOM 120 CA TRP A 11 2.482 3.496 5.064 1.00 0.00 C ATOM 121 C TRP A 11 1.925 4.507 4.061 1.00 0.00 C ATOM 122 O TRP A 11 2.362 4.545 2.915 1.00 0.00 O ATOM 123 CB TRP A 11 1.701 2.199 4.967 1.00 0.00 C ATOM 124 CG TRP A 11 0.351 2.282 5.619 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.021 1.806 6.850 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.818 2.866 5.052 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.359 2.049 7.063 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.866 2.705 5.975 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.074 3.510 3.847 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.155 3.165 5.722 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.350 3.967 3.594 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.378 3.792 4.527 1.00 0.00 C ATOM 0 H TRP A 11 1.556 3.712 6.921 1.00 0.00 H new ATOM 0 HA TRP A 11 3.531 3.356 4.805 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.577 1.933 3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.276 1.399 5.433 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.638 1.313 7.549 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.886 1.784 7.895 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.287 3.650 3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.949 3.032 6.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.559 4.468 2.661 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.368 4.159 4.299 1.00 0.00 H new ATOM 143 N TYR A 12 0.942 5.300 4.465 1.00 0.00 N ATOM 144 CA TYR A 12 0.335 6.259 3.545 1.00 0.00 C ATOM 145 C TYR A 12 1.251 7.430 3.206 1.00 0.00 C ATOM 146 O TYR A 12 1.975 7.949 4.056 1.00 0.00 O ATOM 147 CB TYR A 12 -0.977 6.805 4.094 1.00 0.00 C ATOM 148 CG TYR A 12 -1.694 7.670 3.084 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.384 7.097 2.027 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.664 9.055 3.176 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.029 7.878 1.091 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.307 9.845 2.242 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.989 9.251 1.201 1.00 0.00 C ATOM 154 OH TYR A 12 -3.630 10.033 0.268 1.00 0.00 O ATOM 0 H TYR A 12 0.551 5.302 5.407 1.00 0.00 H new ATOM 0 HA TYR A 12 0.150 5.698 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.622 5.976 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.780 7.386 4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.417 6.021 1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.130 9.522 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.564 7.415 0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.276 10.921 2.327 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.410 10.461 0.680 1.00 0.00 H new ATOM 164 N ASN A 13 1.175 7.848 1.944 1.00 0.00 N ATOM 165 CA ASN A 13 1.948 8.972 1.436 1.00 0.00 C ATOM 166 C ASN A 13 1.161 9.673 0.329 1.00 0.00 C ATOM 167 O ASN A 13 1.163 9.236 -0.822 1.00 0.00 O ATOM 168 CB ASN A 13 3.293 8.488 0.905 1.00 0.00 C ATOM 169 CG ASN A 13 4.379 8.538 1.959 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.638 7.400 2.587 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.975 9.586 2.205 1.00 0.00 N flip ATOM 0 H ASN A 13 0.573 7.413 1.245 1.00 0.00 H new ATOM 0 HA ASN A 13 2.131 9.678 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.191 7.466 0.540 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.587 9.102 0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.741 10.438 1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.703 9.603 2.919 1.00 0.00 H new ATOM 178 N LYS A 14 0.464 10.744 0.696 1.00 0.00 N ATOM 179 CA LYS A 14 -0.363 11.494 -0.246 1.00 0.00 C ATOM 180 C LYS A 14 0.407 11.921 -1.498 1.00 0.00 C ATOM 181 O LYS A 14 0.521 11.159 -2.459 1.00 0.00 O ATOM 182 CB LYS A 14 -0.960 12.722 0.442 1.00 0.00 C ATOM 183 CG LYS A 14 -2.464 12.637 0.638 1.00 0.00 C ATOM 184 CD LYS A 14 -3.158 13.913 0.187 1.00 0.00 C ATOM 185 CE LYS A 14 -2.705 15.112 1.003 1.00 0.00 C ATOM 186 NZ LYS A 14 -3.133 16.398 0.386 1.00 0.00 N ATOM 0 H LYS A 14 0.455 11.115 1.646 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.160 10.826 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.482 12.853 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.728 13.608 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.858 11.790 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.685 12.453 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.948 14.089 -0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.237 13.794 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.113 15.040 2.011 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.619 15.098 1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.804 17.191 0.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.723 16.479 -0.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.171 16.423 0.320 1.00 0.00 H new ATOM 200 N SER A 15 0.912 13.153 -1.487 1.00 0.00 N ATOM 201 CA SER A 15 1.649 13.708 -2.625 1.00 0.00 C ATOM 202 C SER A 15 2.671 12.727 -3.197 1.00 0.00 C ATOM 203 O SER A 15 3.311 13.013 -4.209 1.00 0.00 O ATOM 204 CB SER A 15 2.353 15.001 -2.211 1.00 0.00 C ATOM 205 OG SER A 15 2.520 15.064 -0.805 1.00 0.00 O ATOM 0 H SER A 15 0.824 13.792 -0.697 1.00 0.00 H new ATOM 0 HA SER A 15 0.920 13.912 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.326 15.061 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.773 15.859 -2.550 1.00 0.00 H new ATOM 0 HG SER A 15 1.756 15.529 -0.405 1.00 0.00 H new ATOM 211 N ILE A 16 2.839 11.584 -2.547 1.00 0.00 N ATOM 212 CA ILE A 16 3.798 10.588 -2.992 1.00 0.00 C ATOM 213 C ILE A 16 3.496 10.048 -4.381 1.00 0.00 C ATOM 214 O ILE A 16 2.373 10.139 -4.879 1.00 0.00 O ATOM 215 CB ILE A 16 3.829 9.395 -2.034 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.176 9.314 -1.342 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.548 8.102 -2.787 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.615 7.894 -1.076 1.00 0.00 C ATOM 0 H ILE A 16 2.321 11.325 -1.707 1.00 0.00 H new ATOM 0 HA ILE A 16 4.759 11.102 -3.014 1.00 0.00 H new ATOM 0 HB ILE A 16 3.054 9.535 -1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.926 9.812 -1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.127 9.857 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.574 7.263 -2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.564 8.158 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.305 7.958 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.585 7.900 -0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.883 7.401 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.694 7.355 -2.020 1.00 0.00 H new ATOM 230 N SER A 17 4.522 9.454 -4.977 1.00 0.00 N ATOM 231 CA SER A 17 4.418 8.845 -6.292 1.00 0.00 C ATOM 232 C SER A 17 4.893 7.399 -6.222 1.00 0.00 C ATOM 233 O SER A 17 5.121 6.866 -5.135 1.00 0.00 O ATOM 234 CB SER A 17 5.248 9.627 -7.307 1.00 0.00 C ATOM 235 OG SER A 17 4.611 9.658 -8.573 1.00 0.00 O ATOM 0 H SER A 17 5.450 9.382 -4.560 1.00 0.00 H new ATOM 0 HA SER A 17 3.377 8.865 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.401 10.645 -6.949 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.233 9.171 -7.404 1.00 0.00 H new ATOM 0 HG SER A 17 5.162 10.166 -9.204 1.00 0.00 H new ATOM 241 N ARG A 18 5.050 6.766 -7.375 1.00 0.00 N ATOM 242 CA ARG A 18 5.507 5.383 -7.423 1.00 0.00 C ATOM 243 C ARG A 18 7.003 5.282 -7.123 1.00 0.00 C ATOM 244 O ARG A 18 7.447 4.369 -6.428 1.00 0.00 O ATOM 245 CB ARG A 18 5.210 4.775 -8.796 1.00 0.00 C ATOM 246 CG ARG A 18 5.926 5.476 -9.939 1.00 0.00 C ATOM 247 CD ARG A 18 7.145 4.691 -10.397 1.00 0.00 C ATOM 248 NE ARG A 18 6.813 3.720 -11.434 1.00 0.00 N ATOM 249 CZ ARG A 18 7.681 3.287 -12.342 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.927 3.739 -12.340 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.303 2.401 -13.255 1.00 0.00 N ATOM 0 H ARG A 18 4.869 7.185 -8.287 1.00 0.00 H new ATOM 0 HA ARG A 18 4.967 4.826 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.497 3.724 -8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.135 4.810 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.239 5.605 -10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.232 6.473 -9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.899 5.381 -10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.585 4.174 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 18 5.862 3.353 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.221 4.421 -11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.592 3.405 -13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.345 2.051 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.971 2.070 -13.951 1.00 0.00 H new ATOM 265 N ASP A 19 7.775 6.214 -7.675 1.00 0.00 N ATOM 266 CA ASP A 19 9.226 6.226 -7.496 1.00 0.00 C ATOM 267 C ASP A 19 9.652 6.672 -6.095 1.00 0.00 C ATOM 268 O ASP A 19 10.528 6.057 -5.486 1.00 0.00 O ATOM 269 CB ASP A 19 9.873 7.135 -8.542 1.00 0.00 C ATOM 270 CG ASP A 19 11.198 6.594 -9.040 1.00 0.00 C ATOM 271 OD1 ASP A 19 12.219 6.800 -8.352 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.213 5.963 -10.118 1.00 0.00 O ATOM 0 H ASP A 19 7.419 6.975 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 19 9.567 5.199 -7.623 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.193 7.255 -9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.026 8.125 -8.113 1.00 0.00 H new ATOM 277 N LYS A 20 9.058 7.753 -5.596 1.00 0.00 N ATOM 278 CA LYS A 20 9.415 8.279 -4.281 1.00 0.00 C ATOM 279 C LYS A 20 9.211 7.245 -3.181 1.00 0.00 C ATOM 280 O LYS A 20 10.110 7.008 -2.362 1.00 0.00 O ATOM 281 CB LYS A 20 8.598 9.532 -3.970 1.00 0.00 C ATOM 282 CG LYS A 20 8.553 10.526 -5.117 1.00 0.00 C ATOM 283 CD LYS A 20 7.197 10.521 -5.798 1.00 0.00 C ATOM 284 CE LYS A 20 6.336 11.683 -5.331 1.00 0.00 C ATOM 285 NZ LYS A 20 6.988 12.453 -4.237 1.00 0.00 N ATOM 0 H LYS A 20 8.331 8.280 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 20 10.475 8.533 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.580 9.238 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.019 10.022 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.771 11.526 -4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.328 10.282 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.331 10.577 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.687 9.581 -5.588 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.135 12.347 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.374 11.306 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.334 13.183 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.234 11.809 -3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.852 12.905 -4.598 1.00 0.00 H new ATOM 299 N ALA A 21 8.025 6.641 -3.155 1.00 0.00 N ATOM 300 CA ALA A 21 7.711 5.650 -2.138 1.00 0.00 C ATOM 301 C ALA A 21 8.821 4.615 -2.031 1.00 0.00 C ATOM 302 O ALA A 21 9.168 4.170 -0.937 1.00 0.00 O ATOM 303 CB ALA A 21 6.376 4.981 -2.419 1.00 0.00 C ATOM 0 H ALA A 21 7.274 6.821 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 21 7.632 6.166 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.167 4.245 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.587 5.733 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.415 4.485 -3.389 1.00 0.00 H new ATOM 309 N GLU A 22 9.393 4.246 -3.167 1.00 0.00 N ATOM 310 CA GLU A 22 10.478 3.281 -3.177 1.00 0.00 C ATOM 311 C GLU A 22 11.728 3.906 -2.576 1.00 0.00 C ATOM 312 O GLU A 22 12.320 3.365 -1.635 1.00 0.00 O ATOM 313 CB GLU A 22 10.765 2.809 -4.603 1.00 0.00 C ATOM 314 CG GLU A 22 9.576 2.151 -5.280 1.00 0.00 C ATOM 315 CD GLU A 22 9.925 1.578 -6.639 1.00 0.00 C ATOM 316 OE1 GLU A 22 9.804 2.313 -7.643 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.318 0.394 -6.701 1.00 0.00 O ATOM 0 H GLU A 22 9.126 4.598 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 22 10.183 2.418 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.086 3.662 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.596 2.104 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.193 1.355 -4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.776 2.882 -5.392 1.00 0.00 H new ATOM 324 N LYS A 23 12.108 5.065 -3.105 1.00 0.00 N ATOM 325 CA LYS A 23 13.270 5.776 -2.603 1.00 0.00 C ATOM 326 C LYS A 23 13.128 5.945 -1.102 1.00 0.00 C ATOM 327 O LYS A 23 14.082 5.755 -0.348 1.00 0.00 O ATOM 328 CB LYS A 23 13.403 7.141 -3.282 1.00 0.00 C ATOM 329 CG LYS A 23 12.965 8.301 -2.404 1.00 0.00 C ATOM 330 CD LYS A 23 13.364 9.638 -3.008 1.00 0.00 C ATOM 331 CE LYS A 23 12.176 10.582 -3.106 1.00 0.00 C ATOM 332 NZ LYS A 23 12.348 11.783 -2.244 1.00 0.00 N ATOM 0 H LYS A 23 11.628 5.527 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 23 14.170 5.203 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.441 7.291 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.809 7.143 -4.196 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.884 8.269 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.412 8.199 -1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.144 10.095 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.786 9.479 -4.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.045 10.895 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.268 10.054 -2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.517 12.401 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.447 11.487 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.200 12.302 -2.537 1.00 0.00 H new ATOM 346 N LEU A 24 11.914 6.278 -0.677 1.00 0.00 N ATOM 347 CA LEU A 24 11.628 6.443 0.740 1.00 0.00 C ATOM 348 C LEU A 24 11.587 5.084 1.427 1.00 0.00 C ATOM 349 O LEU A 24 12.222 4.880 2.462 1.00 0.00 O ATOM 350 CB LEU A 24 10.296 7.156 0.936 1.00 0.00 C ATOM 351 CG LEU A 24 9.183 6.687 0.004 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.375 5.569 0.648 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.293 7.858 -0.372 1.00 0.00 C ATOM 0 H LEU A 24 11.116 6.438 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 24 12.420 7.047 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.972 7.016 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.447 8.226 0.792 1.00 0.00 H new ATOM 0 HG LEU A 24 9.631 6.288 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.587 5.250 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.030 4.725 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.929 5.930 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.501 7.514 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.851 8.283 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.887 8.619 -0.878 1.00 0.00 H new ATOM 365 N LEU A 25 10.837 4.151 0.840 1.00 0.00 N ATOM 366 CA LEU A 25 10.724 2.811 1.399 1.00 0.00 C ATOM 367 C LEU A 25 12.110 2.208 1.575 1.00 0.00 C ATOM 368 O LEU A 25 12.380 1.516 2.555 1.00 0.00 O ATOM 369 CB LEU A 25 9.855 1.915 0.506 1.00 0.00 C ATOM 370 CG LEU A 25 8.448 1.644 1.048 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.513 2.791 0.700 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.894 0.331 0.514 1.00 0.00 C ATOM 0 H LEU A 25 10.303 4.300 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 25 10.240 2.880 2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.768 2.379 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.365 0.962 0.364 1.00 0.00 H new ATOM 0 HG LEU A 25 8.518 1.564 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.518 2.581 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.890 3.714 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.460 2.901 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.895 0.167 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.844 0.373 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.546 -0.489 0.816 1.00 0.00 H new ATOM 384 N LEU A 26 12.991 2.490 0.621 1.00 0.00 N ATOM 385 CA LEU A 26 14.356 1.986 0.678 1.00 0.00 C ATOM 386 C LEU A 26 15.145 2.674 1.784 1.00 0.00 C ATOM 387 O LEU A 26 15.936 2.041 2.482 1.00 0.00 O ATOM 388 CB LEU A 26 15.053 2.188 -0.661 1.00 0.00 C ATOM 389 CG LEU A 26 15.159 0.931 -1.516 1.00 0.00 C ATOM 390 CD1 LEU A 26 15.622 1.282 -2.921 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.105 -0.070 -0.868 1.00 0.00 C ATOM 0 H LEU A 26 12.784 3.063 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 26 14.312 0.919 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.515 2.951 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.056 2.574 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 26 14.173 0.473 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.692 0.373 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.906 1.964 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.600 1.761 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.171 -0.963 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.094 0.377 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.728 -0.341 0.118 1.00 0.00 H new ATOM 403 N ASP A 27 14.924 3.976 1.942 1.00 0.00 N ATOM 404 CA ASP A 27 15.616 4.742 2.970 1.00 0.00 C ATOM 405 C ASP A 27 15.427 4.085 4.331 1.00 0.00 C ATOM 406 O ASP A 27 16.248 4.249 5.233 1.00 0.00 O ATOM 407 CB ASP A 27 15.096 6.180 3.005 1.00 0.00 C ATOM 408 CG ASP A 27 14.325 6.486 4.274 1.00 0.00 C ATOM 409 OD1 ASP A 27 13.289 5.833 4.512 1.00 0.00 O ATOM 410 OD2 ASP A 27 14.760 7.380 5.031 1.00 0.00 O ATOM 0 H ASP A 27 14.274 4.519 1.374 1.00 0.00 H new ATOM 0 HA ASP A 27 16.679 4.761 2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.936 6.869 2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.453 6.352 2.142 1.00 0.00 H new ATOM 415 N THR A 28 14.341 3.332 4.465 1.00 0.00 N ATOM 416 CA THR A 28 14.037 2.637 5.707 1.00 0.00 C ATOM 417 C THR A 28 14.634 1.233 5.693 1.00 0.00 C ATOM 418 O THR A 28 15.112 0.739 6.715 1.00 0.00 O ATOM 419 CB THR A 28 12.524 2.570 5.919 1.00 0.00 C ATOM 420 OG1 THR A 28 12.216 2.472 7.298 1.00 0.00 O ATOM 421 CG2 THR A 28 11.866 1.403 5.218 1.00 0.00 C ATOM 0 H THR A 28 13.655 3.188 3.724 1.00 0.00 H new ATOM 0 HA THR A 28 14.481 3.192 6.533 1.00 0.00 H new ATOM 0 HB THR A 28 12.134 3.493 5.489 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.271 3.360 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.794 1.419 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.041 1.478 4.145 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.288 0.470 5.591 1.00 0.00 H new ATOM 429 N GLY A 29 14.605 0.597 4.526 1.00 0.00 N ATOM 430 CA GLY A 29 15.149 -0.743 4.394 1.00 0.00 C ATOM 431 C GLY A 29 14.528 -1.722 5.368 1.00 0.00 C ATOM 432 O GLY A 29 15.129 -2.061 6.387 1.00 0.00 O ATOM 0 H GLY A 29 14.214 0.986 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.988 -1.098 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.227 -0.711 4.554 1.00 0.00 H new ATOM 436 N LYS A 30 13.317 -2.172 5.058 1.00 0.00 N ATOM 437 CA LYS A 30 12.607 -3.110 5.916 1.00 0.00 C ATOM 438 C LYS A 30 12.079 -4.283 5.112 1.00 0.00 C ATOM 439 O LYS A 30 11.899 -4.182 3.898 1.00 0.00 O ATOM 440 CB LYS A 30 11.434 -2.412 6.580 1.00 0.00 C ATOM 441 CG LYS A 30 11.763 -1.004 6.993 1.00 0.00 C ATOM 442 CD LYS A 30 10.554 -0.299 7.566 1.00 0.00 C ATOM 443 CE LYS A 30 10.953 0.784 8.555 1.00 0.00 C ATOM 444 NZ LYS A 30 10.245 2.066 8.287 1.00 0.00 N ATOM 0 H LYS A 30 12.807 -1.901 4.217 1.00 0.00 H new ATOM 0 HA LYS A 30 13.306 -3.475 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.587 -2.398 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.124 -2.982 7.456 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.563 -1.018 7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.136 -0.449 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.973 0.143 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.910 -1.025 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.730 0.451 9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.030 0.946 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.208 2.631 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.754 2.597 7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.277 1.867 7.962 1.00 0.00 H new ATOM 458 N GLU A 31 11.793 -5.384 5.790 1.00 0.00 N ATOM 459 CA GLU A 31 11.243 -6.543 5.115 1.00 0.00 C ATOM 460 C GLU A 31 9.736 -6.369 4.974 1.00 0.00 C ATOM 461 O GLU A 31 8.997 -6.464 5.953 1.00 0.00 O ATOM 462 CB GLU A 31 11.558 -7.821 5.896 1.00 0.00 C ATOM 463 CG GLU A 31 10.457 -8.866 5.820 1.00 0.00 C ATOM 464 CD GLU A 31 10.532 -9.874 6.951 1.00 0.00 C ATOM 465 OE1 GLU A 31 11.634 -10.408 7.198 1.00 0.00 O ATOM 466 OE2 GLU A 31 9.489 -10.130 7.588 1.00 0.00 O ATOM 0 H GLU A 31 11.931 -5.497 6.794 1.00 0.00 H new ATOM 0 HA GLU A 31 11.695 -6.631 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.484 -8.252 5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.733 -7.565 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.487 -8.369 5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.523 -9.390 4.866 1.00 0.00 H new ATOM 473 N GLY A 32 9.289 -6.107 3.754 1.00 0.00 N ATOM 474 CA GLY A 32 7.874 -5.917 3.513 1.00 0.00 C ATOM 475 C GLY A 32 7.402 -4.513 3.851 1.00 0.00 C ATOM 476 O GLY A 32 6.262 -4.326 4.278 1.00 0.00 O ATOM 0 H GLY A 32 9.881 -6.023 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.657 -6.126 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.309 -6.637 4.105 1.00 0.00 H new ATOM 480 N ALA A 33 8.266 -3.520 3.645 1.00 0.00 N ATOM 481 CA ALA A 33 7.901 -2.138 3.916 1.00 0.00 C ATOM 482 C ALA A 33 6.645 -1.795 3.146 1.00 0.00 C ATOM 483 O ALA A 33 6.539 -2.101 1.958 1.00 0.00 O ATOM 484 CB ALA A 33 9.026 -1.199 3.548 1.00 0.00 C ATOM 0 H ALA A 33 9.215 -3.649 3.294 1.00 0.00 H new ATOM 0 HA ALA A 33 7.713 -2.022 4.983 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.727 -0.172 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.913 -1.447 4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.251 -1.299 2.486 1.00 0.00 H new ATOM 490 N PHE A 34 5.686 -1.191 3.830 1.00 0.00 N ATOM 491 CA PHE A 34 4.417 -0.850 3.205 1.00 0.00 C ATOM 492 C PHE A 34 4.138 0.643 3.195 1.00 0.00 C ATOM 493 O PHE A 34 4.317 1.335 4.193 1.00 0.00 O ATOM 494 CB PHE A 34 3.273 -1.548 3.916 1.00 0.00 C ATOM 495 CG PHE A 34 1.965 -0.849 3.684 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.497 -0.652 2.399 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.211 -0.371 4.734 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.307 0.008 2.169 1.00 0.00 C ATOM 499 CE2 PHE A 34 0.036 0.283 4.510 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.422 0.480 3.231 1.00 0.00 C ATOM 0 H PHE A 34 5.761 -0.928 4.813 1.00 0.00 H new ATOM 0 HA PHE A 34 4.493 -1.185 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.202 -2.578 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.480 -1.588 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.071 -1.020 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.555 -0.516 5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.048 0.152 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.540 0.650 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.351 1.004 3.062 1.00 0.00 H new ATOM 510 N MET A 35 3.660 1.120 2.057 1.00 0.00 N ATOM 511 CA MET A 35 3.312 2.521 1.902 1.00 0.00 C ATOM 512 C MET A 35 2.063 2.661 1.049 1.00 0.00 C ATOM 513 O MET A 35 1.617 1.696 0.431 1.00 0.00 O ATOM 514 CB MET A 35 4.461 3.288 1.265 1.00 0.00 C ATOM 515 CG MET A 35 4.152 4.752 1.046 1.00 0.00 C ATOM 516 SD MET A 35 5.634 5.725 0.802 1.00 0.00 S ATOM 517 CE MET A 35 6.294 5.622 2.455 1.00 0.00 C ATOM 0 H MET A 35 3.504 0.553 1.224 1.00 0.00 H new ATOM 0 HA MET A 35 3.117 2.938 2.890 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.343 3.201 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.709 2.829 0.308 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.502 4.859 0.178 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.603 5.138 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.583 6.617 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.536 5.216 3.125 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.167 4.970 2.458 1.00 0.00 H new ATOM 527 N VAL A 36 1.506 3.864 1.002 1.00 0.00 N ATOM 528 CA VAL A 36 0.311 4.108 0.204 1.00 0.00 C ATOM 529 C VAL A 36 0.295 5.509 -0.379 1.00 0.00 C ATOM 530 O VAL A 36 0.846 6.444 0.200 1.00 0.00 O ATOM 531 CB VAL A 36 -0.981 3.889 1.008 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.203 4.181 0.153 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.030 2.472 1.548 1.00 0.00 C ATOM 0 H VAL A 36 1.858 4.680 1.502 1.00 0.00 H new ATOM 0 HA VAL A 36 0.348 3.382 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.986 4.581 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.106 4.020 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.171 5.216 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.210 3.517 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.950 2.330 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.003 1.765 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.172 2.301 2.199 1.00 0.00 H new ATOM 543 N ARG A 37 -0.338 5.639 -1.538 1.00 0.00 N ATOM 544 CA ARG A 37 -0.425 6.921 -2.214 1.00 0.00 C ATOM 545 C ARG A 37 -1.714 7.030 -3.027 1.00 0.00 C ATOM 546 O ARG A 37 -2.005 6.182 -3.869 1.00 0.00 O ATOM 547 CB ARG A 37 0.808 7.105 -3.095 1.00 0.00 C ATOM 548 CG ARG A 37 0.578 6.828 -4.567 1.00 0.00 C ATOM 549 CD ARG A 37 1.676 5.932 -5.118 1.00 0.00 C ATOM 550 NE ARG A 37 1.931 6.160 -6.540 1.00 0.00 N ATOM 551 CZ ARG A 37 0.982 6.372 -7.453 1.00 0.00 C ATOM 552 NH1 ARG A 37 -0.299 6.357 -7.113 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.321 6.587 -8.717 1.00 0.00 N ATOM 0 H ARG A 37 -0.798 4.871 -2.027 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.453 7.718 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.169 8.127 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.598 6.447 -2.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.392 6.352 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.554 7.767 -5.120 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.595 6.103 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.399 4.889 -4.966 1.00 0.00 H new ATOM 0 HE ARG A 37 2.901 6.157 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.568 6.182 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.016 6.520 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.304 6.590 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.598 6.750 -9.418 1.00 0.00 H new ATOM 567 N ASP A 38 -2.488 8.076 -2.753 1.00 0.00 N ATOM 568 CA ASP A 38 -3.754 8.297 -3.444 1.00 0.00 C ATOM 569 C ASP A 38 -3.538 8.661 -4.909 1.00 0.00 C ATOM 570 O ASP A 38 -2.543 9.291 -5.265 1.00 0.00 O ATOM 571 CB ASP A 38 -4.549 9.403 -2.746 1.00 0.00 C ATOM 572 CG ASP A 38 -5.608 10.010 -3.646 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.244 10.542 -4.716 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.801 9.953 -3.281 1.00 0.00 O ATOM 0 H ASP A 38 -2.260 8.785 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.318 7.365 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.024 8.997 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.865 10.185 -2.416 1.00 0.00 H new ATOM 579 N SER A 39 -4.485 8.260 -5.753 1.00 0.00 N ATOM 580 CA SER A 39 -4.413 8.539 -7.181 1.00 0.00 C ATOM 581 C SER A 39 -5.542 9.472 -7.610 1.00 0.00 C ATOM 582 O SER A 39 -6.209 10.081 -6.772 1.00 0.00 O ATOM 583 CB SER A 39 -4.481 7.234 -7.978 1.00 0.00 C ATOM 584 OG SER A 39 -5.137 7.427 -9.219 1.00 0.00 O ATOM 0 H SER A 39 -5.314 7.738 -5.469 1.00 0.00 H new ATOM 0 HA SER A 39 -3.463 9.032 -7.384 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.473 6.857 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.009 6.477 -7.398 1.00 0.00 H new ATOM 0 HG SER A 39 -5.166 6.579 -9.709 1.00 0.00 H new ATOM 590 N ARG A 40 -5.753 9.581 -8.918 1.00 0.00 N ATOM 591 CA ARG A 40 -6.803 10.441 -9.456 1.00 0.00 C ATOM 592 C ARG A 40 -7.991 9.613 -9.937 1.00 0.00 C ATOM 593 O ARG A 40 -9.117 10.106 -10.011 1.00 0.00 O ATOM 594 CB ARG A 40 -6.258 11.288 -10.608 1.00 0.00 C ATOM 595 CG ARG A 40 -5.100 10.637 -11.347 1.00 0.00 C ATOM 596 CD ARG A 40 -3.763 11.022 -10.737 1.00 0.00 C ATOM 597 NE ARG A 40 -3.611 12.471 -10.623 1.00 0.00 N ATOM 598 CZ ARG A 40 -3.116 13.238 -11.589 1.00 0.00 C ATOM 599 NH1 ARG A 40 -2.728 12.696 -12.735 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.009 14.547 -11.409 1.00 0.00 N ATOM 0 H ARG A 40 -5.211 9.085 -9.625 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.142 11.101 -8.657 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.064 11.486 -11.315 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.933 12.252 -10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.214 9.553 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.122 10.935 -12.395 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.671 10.569 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.956 10.620 -11.349 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.901 12.919 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.809 11.689 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.348 13.286 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.307 14.967 -10.528 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.629 15.134 -12.151 1.00 0.00 H new ATOM 614 N THR A 41 -7.729 8.352 -10.260 1.00 0.00 N ATOM 615 CA THR A 41 -8.767 7.442 -10.732 1.00 0.00 C ATOM 616 C THR A 41 -10.004 7.517 -9.828 1.00 0.00 C ATOM 617 O THR A 41 -10.162 8.476 -9.073 1.00 0.00 O ATOM 618 CB THR A 41 -8.204 6.021 -10.789 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.808 5.275 -11.830 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.378 5.252 -9.497 1.00 0.00 C ATOM 0 H THR A 41 -6.800 7.934 -10.203 1.00 0.00 H new ATOM 0 HA THR A 41 -9.080 7.735 -11.734 1.00 0.00 H new ATOM 0 HB THR A 41 -7.137 6.145 -10.972 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.526 4.338 -11.767 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.956 4.253 -9.609 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.864 5.775 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.439 5.174 -9.260 1.00 0.00 H new ATOM 628 N PRO A 42 -10.908 6.518 -9.892 1.00 0.00 N ATOM 629 CA PRO A 42 -12.130 6.499 -9.081 1.00 0.00 C ATOM 630 C PRO A 42 -11.934 7.034 -7.663 1.00 0.00 C ATOM 631 O PRO A 42 -12.906 7.265 -6.943 1.00 0.00 O ATOM 632 CB PRO A 42 -12.485 5.018 -9.061 1.00 0.00 C ATOM 633 CG PRO A 42 -12.055 4.530 -10.402 1.00 0.00 C ATOM 634 CD PRO A 42 -10.828 5.330 -10.768 1.00 0.00 C ATOM 0 HA PRO A 42 -12.904 7.146 -9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.966 4.493 -8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.553 4.865 -8.903 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.831 3.464 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.845 4.671 -11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.914 4.764 -10.591 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.832 5.609 -11.822 1.00 0.00 H new ATOM 642 N GLY A 43 -10.683 7.241 -7.265 1.00 0.00 N ATOM 643 CA GLY A 43 -10.408 7.759 -5.936 1.00 0.00 C ATOM 644 C GLY A 43 -9.716 6.756 -5.040 1.00 0.00 C ATOM 645 O GLY A 43 -9.673 6.924 -3.822 1.00 0.00 O ATOM 0 H GLY A 43 -9.857 7.060 -7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.787 8.650 -6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.345 8.067 -5.471 1.00 0.00 H new ATOM 649 N THR A 44 -9.169 5.717 -5.648 1.00 0.00 N ATOM 650 CA THR A 44 -8.465 4.680 -4.908 1.00 0.00 C ATOM 651 C THR A 44 -7.188 5.226 -4.285 1.00 0.00 C ATOM 652 O THR A 44 -6.915 6.425 -4.335 1.00 0.00 O ATOM 653 CB THR A 44 -8.097 3.533 -5.842 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.804 3.043 -5.541 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.104 3.931 -7.300 1.00 0.00 C ATOM 0 H THR A 44 -9.199 5.568 -6.657 1.00 0.00 H new ATOM 0 HA THR A 44 -9.127 4.326 -4.118 1.00 0.00 H new ATOM 0 HB THR A 44 -8.858 2.769 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.130 3.631 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.834 3.071 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.100 4.277 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.383 4.733 -7.462 1.00 0.00 H new ATOM 663 N TYR A 45 -6.401 4.321 -3.723 1.00 0.00 N ATOM 664 CA TYR A 45 -5.132 4.676 -3.108 1.00 0.00 C ATOM 665 C TYR A 45 -4.041 3.717 -3.568 1.00 0.00 C ATOM 666 O TYR A 45 -4.327 2.603 -4.004 1.00 0.00 O ATOM 667 CB TYR A 45 -5.248 4.652 -1.587 1.00 0.00 C ATOM 668 CG TYR A 45 -6.395 5.479 -1.072 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.699 5.115 -1.355 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.177 6.617 -0.310 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.763 5.861 -0.896 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.236 7.373 0.157 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.528 6.991 -0.139 1.00 0.00 C ATOM 674 OH TYR A 45 -9.587 7.739 0.321 1.00 0.00 O ATOM 0 H TYR A 45 -6.622 3.326 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.867 5.687 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.372 3.622 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.319 5.019 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.887 4.231 -1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.166 6.917 -0.078 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.775 5.563 -1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.053 8.257 0.750 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.250 8.500 0.838 1.00 0.00 H new ATOM 684 N THR A 46 -2.794 4.151 -3.469 1.00 0.00 N ATOM 685 CA THR A 46 -1.672 3.317 -3.873 1.00 0.00 C ATOM 686 C THR A 46 -0.962 2.761 -2.648 1.00 0.00 C ATOM 687 O THR A 46 -0.969 3.387 -1.594 1.00 0.00 O ATOM 688 CB THR A 46 -0.688 4.114 -4.728 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.376 4.930 -5.658 1.00 0.00 O ATOM 690 CG2 THR A 46 0.266 3.233 -5.506 1.00 0.00 C ATOM 0 H THR A 46 -2.534 5.071 -3.114 1.00 0.00 H new ATOM 0 HA THR A 46 -2.058 2.489 -4.467 1.00 0.00 H new ATOM 0 HB THR A 46 -0.114 4.719 -4.026 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.936 5.574 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.940 3.856 -6.094 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.847 2.625 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.301 2.583 -6.172 1.00 0.00 H new ATOM 698 N VAL A 47 -0.352 1.587 -2.784 1.00 0.00 N ATOM 699 CA VAL A 47 0.356 0.965 -1.671 1.00 0.00 C ATOM 700 C VAL A 47 1.779 0.580 -2.057 1.00 0.00 C ATOM 701 O VAL A 47 1.986 -0.317 -2.873 1.00 0.00 O ATOM 702 CB VAL A 47 -0.365 -0.299 -1.162 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.543 -1.084 -0.223 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.670 0.063 -0.471 1.00 0.00 C ATOM 0 H VAL A 47 -0.334 1.049 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 47 0.378 1.712 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.603 -0.928 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.021 -1.974 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.447 -1.380 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.811 -0.460 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.160 -0.845 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.464 0.715 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.323 0.580 -1.174 1.00 0.00 H new ATOM 714 N SER A 48 2.760 1.237 -1.446 1.00 0.00 N ATOM 715 CA SER A 48 4.158 0.918 -1.723 1.00 0.00 C ATOM 716 C SER A 48 4.649 -0.127 -0.731 1.00 0.00 C ATOM 717 O SER A 48 4.807 0.158 0.457 1.00 0.00 O ATOM 718 CB SER A 48 5.063 2.157 -1.651 1.00 0.00 C ATOM 719 OG SER A 48 5.718 2.379 -2.888 1.00 0.00 O ATOM 0 H SER A 48 2.618 1.983 -0.765 1.00 0.00 H new ATOM 0 HA SER A 48 4.210 0.530 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.468 3.032 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.803 2.026 -0.862 1.00 0.00 H new ATOM 0 HG SER A 48 6.688 2.344 -2.755 1.00 0.00 H new ATOM 725 N VAL A 49 4.882 -1.337 -1.218 1.00 0.00 N ATOM 726 CA VAL A 49 5.351 -2.423 -0.370 1.00 0.00 C ATOM 727 C VAL A 49 6.683 -2.959 -0.877 1.00 0.00 C ATOM 728 O VAL A 49 6.766 -3.466 -1.994 1.00 0.00 O ATOM 729 CB VAL A 49 4.330 -3.575 -0.320 1.00 0.00 C ATOM 730 CG1 VAL A 49 3.006 -3.090 0.247 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.138 -4.173 -1.704 1.00 0.00 C ATOM 0 H VAL A 49 4.754 -1.592 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 49 5.477 -2.020 0.635 1.00 0.00 H new ATOM 0 HB VAL A 49 4.716 -4.353 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.297 -3.918 0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.160 -2.710 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.610 -2.294 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.414 -4.986 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.773 -3.404 -2.385 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.090 -4.558 -2.069 1.00 0.00 H new ATOM 741 N PHE A 50 7.729 -2.838 -0.064 1.00 0.00 N ATOM 742 CA PHE A 50 9.048 -3.313 -0.479 1.00 0.00 C ATOM 743 C PHE A 50 9.688 -4.226 0.558 1.00 0.00 C ATOM 744 O PHE A 50 9.533 -4.032 1.769 1.00 0.00 O ATOM 745 CB PHE A 50 9.975 -2.136 -0.796 1.00 0.00 C ATOM 746 CG PHE A 50 10.863 -1.715 0.343 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.376 -0.904 1.350 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.192 -2.110 0.394 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.186 -0.492 2.387 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.009 -1.704 1.434 1.00 0.00 C ATOM 751 CZ PHE A 50 12.504 -0.891 2.431 1.00 0.00 C ATOM 0 H PHE A 50 7.693 -2.424 0.868 1.00 0.00 H new ATOM 0 HA PHE A 50 8.901 -3.903 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.600 -2.402 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.368 -1.284 -1.100 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.344 -0.588 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.593 -2.741 -0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.788 0.143 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.041 -2.022 1.467 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.141 -0.569 3.242 1.00 0.00 H new ATOM 761 N THR A 51 10.415 -5.225 0.059 1.00 0.00 N ATOM 762 CA THR A 51 11.097 -6.188 0.913 1.00 0.00 C ATOM 763 C THR A 51 12.435 -6.596 0.316 1.00 0.00 C ATOM 764 O THR A 51 12.489 -7.427 -0.592 1.00 0.00 O ATOM 765 CB THR A 51 10.236 -7.437 1.080 1.00 0.00 C ATOM 766 OG1 THR A 51 9.117 -7.180 1.905 1.00 0.00 O ATOM 767 CG2 THR A 51 10.993 -8.605 1.672 1.00 0.00 C ATOM 0 H THR A 51 10.545 -5.386 -0.940 1.00 0.00 H new ATOM 0 HA THR A 51 11.267 -5.715 1.880 1.00 0.00 H new ATOM 0 HB THR A 51 9.918 -7.703 0.072 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.138 -7.779 2.680 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.325 -9.462 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.828 -8.865 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.372 -8.332 2.657 1.00 0.00 H new ATOM 775 N LYS A 52 13.519 -6.031 0.833 1.00 0.00 N ATOM 776 CA LYS A 52 14.839 -6.374 0.347 1.00 0.00 C ATOM 777 C LYS A 52 14.841 -7.802 -0.189 1.00 0.00 C ATOM 778 O LYS A 52 14.783 -8.769 0.570 1.00 0.00 O ATOM 779 CB LYS A 52 15.875 -6.228 1.463 1.00 0.00 C ATOM 780 CG LYS A 52 15.755 -4.928 2.238 1.00 0.00 C ATOM 781 CD LYS A 52 16.973 -4.042 2.032 1.00 0.00 C ATOM 782 CE LYS A 52 16.812 -3.151 0.810 1.00 0.00 C ATOM 783 NZ LYS A 52 18.107 -2.548 0.388 1.00 0.00 N ATOM 0 H LYS A 52 13.506 -5.339 1.583 1.00 0.00 H new ATOM 0 HA LYS A 52 15.103 -5.691 -0.460 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.772 -7.064 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.874 -6.293 1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.859 -4.395 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.637 -5.146 3.300 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.129 -3.424 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.861 -4.663 1.917 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.398 -3.734 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.097 -2.358 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.964 -1.989 -0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.465 -1.930 1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.797 -3.303 0.202 1.00 0.00 H new ATOM 797 N ALA A 53 14.909 -7.912 -1.509 1.00 0.00 N ATOM 798 CA ALA A 53 14.919 -9.206 -2.169 1.00 0.00 C ATOM 799 C ALA A 53 15.294 -9.080 -3.640 1.00 0.00 C ATOM 800 O ALA A 53 14.425 -9.016 -4.510 1.00 0.00 O ATOM 801 CB ALA A 53 13.560 -9.870 -2.020 1.00 0.00 C ATOM 0 H ALA A 53 14.958 -7.115 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 53 15.677 -9.827 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.573 -10.840 -2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.336 -10.007 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.795 -9.240 -2.474 1.00 0.00 H new ATOM 807 N ILE A 54 16.594 -9.050 -3.910 1.00 0.00 N ATOM 808 CA ILE A 54 17.090 -8.936 -5.276 1.00 0.00 C ATOM 809 C ILE A 54 18.560 -9.332 -5.357 1.00 0.00 C ATOM 810 O ILE A 54 19.433 -8.622 -4.859 1.00 0.00 O ATOM 811 CB ILE A 54 16.924 -7.504 -5.819 1.00 0.00 C ATOM 812 CG1 ILE A 54 15.455 -7.080 -5.766 1.00 0.00 C ATOM 813 CG2 ILE A 54 17.456 -7.413 -7.241 1.00 0.00 C ATOM 814 CD1 ILE A 54 15.013 -6.592 -4.403 1.00 0.00 C ATOM 0 H ILE A 54 17.324 -9.103 -3.200 1.00 0.00 H new ATOM 0 HA ILE A 54 16.497 -9.616 -5.887 1.00 0.00 H new ATOM 0 HB ILE A 54 17.500 -6.825 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 54 15.287 -6.289 -6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.831 -7.924 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 54 17.332 -6.395 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.514 -7.677 -7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.904 -8.102 -7.881 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.961 -6.309 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 54 15.148 -7.388 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 54 15.611 -5.728 -4.114 1.00 0.00 H new ATOM 826 N ILE A 55 18.826 -10.473 -5.986 1.00 0.00 N ATOM 827 CA ILE A 55 20.190 -10.966 -6.130 1.00 0.00 C ATOM 828 C ILE A 55 21.170 -9.819 -6.358 1.00 0.00 C ATOM 829 O ILE A 55 22.151 -9.675 -5.630 1.00 0.00 O ATOM 830 CB ILE A 55 20.307 -11.966 -7.296 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.153 -12.968 -7.254 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.645 -12.687 -7.242 1.00 0.00 C ATOM 833 CD1 ILE A 55 18.692 -13.303 -5.852 1.00 0.00 C ATOM 0 H ILE A 55 18.114 -11.073 -6.404 1.00 0.00 H new ATOM 0 HA ILE A 55 20.441 -11.474 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 55 20.251 -11.416 -8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.312 -12.564 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.461 -13.886 -7.755 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.713 -13.390 -8.072 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.453 -11.960 -7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.729 -13.229 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.872 -14.019 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.520 -13.737 -5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.352 -12.395 -5.354 1.00 0.00 H new ATOM 845 N SER A 56 20.897 -9.007 -7.374 1.00 0.00 N ATOM 846 CA SER A 56 21.757 -7.874 -7.695 1.00 0.00 C ATOM 847 C SER A 56 21.336 -6.633 -6.915 1.00 0.00 C ATOM 848 O SER A 56 22.121 -6.074 -6.150 1.00 0.00 O ATOM 849 CB SER A 56 21.715 -7.585 -9.197 1.00 0.00 C ATOM 850 OG SER A 56 21.475 -8.770 -9.938 1.00 0.00 O ATOM 0 H SER A 56 20.089 -9.112 -7.988 1.00 0.00 H new ATOM 0 HA SER A 56 22.777 -8.132 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.933 -6.855 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 56 22.659 -7.141 -9.512 1.00 0.00 H new ATOM 0 HG SER A 56 21.451 -8.558 -10.895 1.00 0.00 H new ATOM 856 N GLU A 57 20.092 -6.209 -7.113 1.00 0.00 N ATOM 857 CA GLU A 57 19.566 -5.036 -6.426 1.00 0.00 C ATOM 858 C GLU A 57 18.451 -4.385 -7.236 1.00 0.00 C ATOM 859 O GLU A 57 18.484 -4.385 -8.466 1.00 0.00 O ATOM 860 CB GLU A 57 20.677 -4.026 -6.178 1.00 0.00 C ATOM 861 CG GLU A 57 21.600 -3.882 -7.362 1.00 0.00 C ATOM 862 CD GLU A 57 22.056 -2.454 -7.586 1.00 0.00 C ATOM 863 OE1 GLU A 57 21.238 -1.636 -8.057 1.00 0.00 O ATOM 864 OE2 GLU A 57 23.232 -2.153 -7.289 1.00 0.00 O ATOM 0 H GLU A 57 19.430 -6.661 -7.744 1.00 0.00 H new ATOM 0 HA GLU A 57 19.157 -5.362 -5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.237 -3.057 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 57 21.255 -4.333 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.473 -4.518 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.092 -4.240 -8.257 1.00 0.00 H new ATOM 871 N ASN A 58 17.466 -3.828 -6.541 1.00 0.00 N ATOM 872 CA ASN A 58 16.347 -3.171 -7.202 1.00 0.00 C ATOM 873 C ASN A 58 15.981 -1.872 -6.490 1.00 0.00 C ATOM 874 O ASN A 58 16.172 -0.784 -7.035 1.00 0.00 O ATOM 875 CB ASN A 58 15.138 -4.103 -7.264 1.00 0.00 C ATOM 876 CG ASN A 58 15.279 -5.163 -8.339 1.00 0.00 C ATOM 877 OD1 ASN A 58 16.180 -5.098 -9.175 1.00 0.00 O ATOM 878 ND2 ASN A 58 14.387 -6.146 -8.322 1.00 0.00 N ATOM 0 H ASN A 58 17.420 -3.819 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 58 16.651 -2.928 -8.220 1.00 0.00 H new ATOM 0 HB2 ASN A 58 15.006 -4.587 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.239 -3.516 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.432 -6.888 -9.021 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.657 -6.160 -7.610 1.00 0.00 H new ATOM 885 N PRO A 59 15.449 -1.962 -5.259 1.00 0.00 N ATOM 886 CA PRO A 59 15.201 -3.217 -4.566 1.00 0.00 C ATOM 887 C PRO A 59 13.794 -3.749 -4.820 1.00 0.00 C ATOM 888 O PRO A 59 13.242 -3.574 -5.906 1.00 0.00 O ATOM 889 CB PRO A 59 15.369 -2.831 -3.087 1.00 0.00 C ATOM 890 CG PRO A 59 15.378 -1.328 -3.043 1.00 0.00 C ATOM 891 CD PRO A 59 15.043 -0.837 -4.428 1.00 0.00 C ATOM 0 HA PRO A 59 15.869 -4.012 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.554 -3.233 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.295 -3.238 -2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.651 -0.960 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.355 -0.959 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.982 -0.614 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.587 0.073 -4.680 1.00 0.00 H new ATOM 899 N CYS A 60 13.218 -4.404 -3.818 1.00 0.00 N ATOM 900 CA CYS A 60 11.881 -4.965 -3.949 1.00 0.00 C ATOM 901 C CYS A 60 10.813 -4.034 -3.378 1.00 0.00 C ATOM 902 O CYS A 60 10.412 -4.177 -2.225 1.00 0.00 O ATOM 903 CB CYS A 60 11.809 -6.324 -3.246 1.00 0.00 C ATOM 904 SG CYS A 60 11.068 -7.634 -4.248 1.00 0.00 S ATOM 0 H CYS A 60 13.655 -4.559 -2.910 1.00 0.00 H new ATOM 0 HA CYS A 60 11.682 -5.089 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.816 -6.626 -2.959 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.234 -6.215 -2.326 1.00 0.00 H new ATOM 0 HG CYS A 60 11.991 -8.469 -4.622 1.00 0.00 H new ATOM 910 N ILE A 61 10.332 -3.103 -4.202 1.00 0.00 N ATOM 911 CA ILE A 61 9.280 -2.174 -3.790 1.00 0.00 C ATOM 912 C ILE A 61 8.070 -2.332 -4.701 1.00 0.00 C ATOM 913 O ILE A 61 8.090 -1.897 -5.852 1.00 0.00 O ATOM 914 CB ILE A 61 9.730 -0.698 -3.831 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.209 -0.570 -3.460 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.862 0.141 -2.896 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.447 -0.323 -1.987 1.00 0.00 C ATOM 0 H ILE A 61 10.655 -2.972 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 61 9.034 -2.422 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 61 9.607 -0.325 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.729 -1.482 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.649 0.247 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.188 1.181 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.820 0.076 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.957 -0.234 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.518 -0.243 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.957 0.604 -1.690 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.038 -1.151 -1.408 1.00 0.00 H new ATOM 929 N LYS A 62 7.024 -2.962 -4.188 1.00 0.00 N ATOM 930 CA LYS A 62 5.814 -3.181 -4.971 1.00 0.00 C ATOM 931 C LYS A 62 4.767 -2.130 -4.665 1.00 0.00 C ATOM 932 O LYS A 62 4.524 -1.802 -3.503 1.00 0.00 O ATOM 933 CB LYS A 62 5.227 -4.559 -4.679 1.00 0.00 C ATOM 934 CG LYS A 62 4.478 -5.160 -5.857 1.00 0.00 C ATOM 935 CD LYS A 62 4.929 -6.585 -6.137 1.00 0.00 C ATOM 936 CE LYS A 62 4.012 -7.275 -7.133 1.00 0.00 C ATOM 937 NZ LYS A 62 2.611 -7.359 -6.633 1.00 0.00 N ATOM 0 H LYS A 62 6.987 -3.330 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 62 6.092 -3.114 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.032 -5.234 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.550 -4.484 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.407 -5.150 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.639 -4.546 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.948 -6.576 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.948 -7.151 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.028 -6.732 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.386 -8.279 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.143 -8.189 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.617 -7.449 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.094 -6.498 -6.903 1.00 0.00 H new ATOM 951 N HIS A 63 4.133 -1.615 -5.706 1.00 0.00 N ATOM 952 CA HIS A 63 3.101 -0.621 -5.527 1.00 0.00 C ATOM 953 C HIS A 63 1.728 -1.238 -5.747 1.00 0.00 C ATOM 954 O HIS A 63 1.340 -1.541 -6.875 1.00 0.00 O ATOM 955 CB HIS A 63 3.315 0.534 -6.502 1.00 0.00 C ATOM 956 CG HIS A 63 4.752 0.757 -6.847 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.364 0.812 -8.057 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 5.743 0.945 -5.911 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 6.725 1.033 -7.869 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 6.900 1.106 -6.563 1.00 0.00 N flip ATOM 0 H HIS A 63 4.317 -1.870 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 63 3.155 -0.242 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.755 0.337 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.907 1.447 -6.069 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.901 0.708 -8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.610 0.960 -4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.482 1.126 -8.634 1.00 0.00 H new ATOM 968 N TYR A 64 0.999 -1.408 -4.657 1.00 0.00 N ATOM 969 CA TYR A 64 -0.338 -1.972 -4.705 1.00 0.00 C ATOM 970 C TYR A 64 -1.369 -0.860 -4.618 1.00 0.00 C ATOM 971 O TYR A 64 -1.424 -0.130 -3.627 1.00 0.00 O ATOM 972 CB TYR A 64 -0.512 -2.971 -3.570 1.00 0.00 C ATOM 973 CG TYR A 64 0.331 -4.201 -3.773 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.675 -4.204 -3.436 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.214 -5.353 -4.319 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.451 -5.322 -3.635 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.557 -6.476 -4.520 1.00 0.00 C ATOM 978 CZ TYR A 64 1.891 -6.458 -4.176 1.00 0.00 C ATOM 979 OH TYR A 64 2.666 -7.578 -4.374 1.00 0.00 O ATOM 0 H TYR A 64 1.315 -1.160 -3.719 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.482 -2.496 -5.650 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.243 -2.498 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.561 -3.258 -3.496 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.119 -3.316 -3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.259 -5.370 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.497 -5.309 -3.368 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.118 -7.367 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 64 2.088 -8.364 -4.468 1.00 0.00 H new ATOM 989 N HIS A 65 -2.174 -0.718 -5.664 1.00 0.00 N ATOM 990 CA HIS A 65 -3.187 0.322 -5.687 1.00 0.00 C ATOM 991 C HIS A 65 -4.506 -0.198 -5.173 1.00 0.00 C ATOM 992 O HIS A 65 -5.069 -1.145 -5.723 1.00 0.00 O ATOM 993 CB HIS A 65 -3.392 0.889 -7.087 1.00 0.00 C ATOM 994 CG HIS A 65 -4.005 2.248 -7.061 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.324 3.393 -6.729 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.281 2.626 -7.304 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.192 4.410 -6.774 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.394 3.999 -7.121 1.00 0.00 N ATOM 0 H HIS A 65 -2.144 -1.305 -6.498 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.827 1.119 -5.037 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.433 0.935 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.030 0.216 -7.660 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.334 3.457 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.085 1.965 -7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.939 5.437 -6.554 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.012 0.428 -4.124 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.279 0.011 -3.573 1.00 0.00 C ATOM 1008 C ILE A 66 -7.386 0.300 -4.569 1.00 0.00 C ATOM 1009 O ILE A 66 -7.797 1.445 -4.742 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.592 0.731 -2.249 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.358 1.469 -1.731 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.079 -0.268 -1.220 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.111 0.616 -1.697 1.00 0.00 C ATOM 0 H ILE A 66 -4.570 1.214 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.217 -1.058 -3.372 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.377 1.465 -2.429 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.175 2.340 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.562 1.839 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.298 0.249 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.983 -0.756 -1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.307 -1.018 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.276 1.206 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.274 -0.241 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.881 0.267 -2.704 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.872 -0.746 -5.216 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.937 -0.604 -6.189 1.00 0.00 C ATOM 1027 C LYS A 67 -10.231 -0.244 -5.482 1.00 0.00 C ATOM 1028 O LYS A 67 -10.374 -0.506 -4.287 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.109 -1.893 -6.991 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.063 -1.745 -8.166 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.386 -1.077 -9.353 1.00 0.00 C ATOM 1032 CE LYS A 67 -9.480 0.437 -9.267 1.00 0.00 C ATOM 1033 NZ LYS A 67 -10.623 0.968 -10.062 1.00 0.00 N ATOM 0 H LYS A 67 -7.544 -1.703 -5.083 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.676 0.195 -6.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.136 -2.216 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.476 -2.678 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.433 -2.727 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.929 -1.157 -7.861 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.339 -1.376 -9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.850 -1.420 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.593 0.735 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.551 0.880 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.261 1.480 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.223 0.179 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.184 1.616 -9.473 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.162 0.359 -6.219 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.446 0.769 -5.659 1.00 0.00 C ATOM 1049 C GLU A 68 -13.593 -0.013 -6.297 1.00 0.00 C ATOM 1050 O GLU A 68 -13.616 -0.213 -7.512 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.661 2.271 -5.884 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.022 3.153 -4.823 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.010 4.118 -4.200 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.221 3.990 -4.477 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.574 5.003 -3.434 1.00 0.00 O ATOM 0 H GLU A 68 -11.049 0.575 -7.210 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.433 0.559 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.258 2.543 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.732 2.474 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.592 2.524 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.201 3.715 -5.268 1.00 0.00 H new ATOM 1062 N THR A 69 -14.542 -0.458 -5.473 1.00 0.00 N ATOM 1063 CA THR A 69 -15.682 -1.219 -5.968 1.00 0.00 C ATOM 1064 C THR A 69 -16.927 -0.941 -5.132 1.00 0.00 C ATOM 1065 O THR A 69 -17.177 -1.615 -4.132 1.00 0.00 O ATOM 1066 CB THR A 69 -15.368 -2.716 -5.950 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.459 -3.464 -6.458 1.00 0.00 O ATOM 1068 CG2 THR A 69 -15.053 -3.244 -4.567 1.00 0.00 C ATOM 0 H THR A 69 -14.542 -0.304 -4.465 1.00 0.00 H new ATOM 0 HA THR A 69 -15.877 -0.906 -6.994 1.00 0.00 H new ATOM 0 HB THR A 69 -14.484 -2.833 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.238 -4.419 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.840 -4.311 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.184 -2.721 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.908 -3.080 -3.911 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.704 0.056 -5.548 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.924 0.426 -4.839 1.00 0.00 C ATOM 1078 C ASN A 70 -19.055 -0.348 -3.531 1.00 0.00 C ATOM 1079 O ASN A 70 -19.565 -1.468 -3.509 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.148 0.169 -5.720 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.795 0.101 -7.193 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.178 1.016 -7.739 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -20.186 -0.988 -7.845 1.00 0.00 N ATOM 0 H ASN A 70 -17.509 0.622 -6.374 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.867 1.489 -4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.620 -0.766 -5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.880 0.961 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.977 -1.090 -8.838 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.695 -1.722 -7.353 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.591 0.257 -2.441 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.654 -0.376 -1.130 1.00 0.00 C ATOM 1092 C ASP A 71 -19.920 -1.218 -0.991 1.00 0.00 C ATOM 1093 O ASP A 71 -20.931 -0.949 -1.639 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.607 0.681 -0.026 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.930 0.816 0.703 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.889 1.343 0.100 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -20.007 0.396 1.876 1.00 0.00 O ATOM 0 H ASP A 71 -18.167 1.185 -2.441 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.790 -1.033 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.826 0.421 0.689 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.335 1.643 -0.460 1.00 0.00 H new ATOM 1102 N SER A 72 -19.854 -2.237 -0.141 1.00 0.00 N ATOM 1103 CA SER A 72 -20.991 -3.122 0.084 1.00 0.00 C ATOM 1104 C SER A 72 -21.482 -3.727 -1.228 1.00 0.00 C ATOM 1105 O SER A 72 -22.546 -3.363 -1.731 1.00 0.00 O ATOM 1106 CB SER A 72 -22.128 -2.360 0.765 1.00 0.00 C ATOM 1107 OG SER A 72 -21.624 -1.368 1.644 1.00 0.00 O ATOM 0 H SER A 72 -19.024 -2.471 0.404 1.00 0.00 H new ATOM 0 HA SER A 72 -20.664 -3.933 0.735 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.761 -1.893 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.756 -3.057 1.320 1.00 0.00 H new ATOM 0 HG SER A 72 -22.371 -0.894 2.065 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.708 -4.663 -1.800 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.437 -5.112 -1.220 1.00 0.00 C ATOM 1115 C PRO A 73 -18.426 -3.978 -1.101 1.00 0.00 C ATOM 1116 O PRO A 73 -18.524 -2.971 -1.803 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.937 -6.170 -2.212 1.00 0.00 C ATOM 1118 CG PRO A 73 -20.140 -6.574 -2.994 1.00 0.00 C ATOM 1119 CD PRO A 73 -21.015 -5.356 -3.060 1.00 0.00 C ATOM 0 HA PRO A 73 -19.567 -5.491 -0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.163 -5.764 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.501 -7.023 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.862 -6.910 -3.993 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.659 -7.402 -2.512 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.783 -4.738 -3.928 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.070 -5.620 -3.129 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.457 -4.145 -0.206 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.429 -3.132 0.009 1.00 0.00 C ATOM 1129 C LYS A 74 -16.082 -2.411 -1.286 1.00 0.00 C ATOM 1130 O LYS A 74 -16.507 -2.813 -2.369 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.186 -3.770 0.622 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.417 -5.198 1.085 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.119 -5.234 2.420 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.368 -4.391 2.375 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.107 -4.410 3.667 1.00 0.00 N ATOM 0 H LYS A 74 -17.362 -4.973 0.382 1.00 0.00 H new ATOM 0 HA LYS A 74 -16.822 -2.389 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.379 -3.758 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.856 -3.168 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.013 -5.731 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.462 -5.717 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.375 -6.262 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -15.452 -4.867 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.102 -3.364 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.020 -4.753 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.958 -3.817 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.385 -5.386 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -17.495 -4.040 4.422 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.329 -1.324 -1.162 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.955 -0.520 -2.316 1.00 0.00 C ATOM 1151 C ARG A 75 -13.489 -0.676 -2.697 1.00 0.00 C ATOM 1152 O ARG A 75 -13.168 -0.944 -3.852 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.252 0.953 -2.039 1.00 0.00 C ATOM 1154 CG ARG A 75 -15.141 1.329 -0.571 1.00 0.00 C ATOM 1155 CD ARG A 75 -15.790 2.675 -0.291 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.237 3.333 -1.515 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.351 4.052 -1.600 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.127 4.204 -0.536 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.691 4.620 -2.750 1.00 0.00 N ATOM 0 H ARG A 75 -14.966 -0.980 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.549 -0.879 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.563 1.569 -2.617 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.258 1.185 -2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.616 0.561 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.091 1.363 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.640 2.535 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.080 3.319 0.228 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.662 3.235 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.869 3.769 0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.982 4.756 -0.603 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.097 4.505 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.547 5.172 -2.813 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.596 -0.454 -1.743 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.173 -0.516 -2.029 1.00 0.00 C ATOM 1175 C TYR A 76 -10.591 -1.910 -1.881 1.00 0.00 C ATOM 1176 O TYR A 76 -11.012 -2.700 -1.037 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.425 0.481 -1.158 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.152 1.792 -1.056 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.280 2.024 -1.827 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.720 2.790 -0.203 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.962 3.214 -1.752 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.397 3.992 -0.117 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.520 4.200 -0.894 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.197 5.395 -0.814 1.00 0.00 O ATOM 0 H TYR A 76 -12.829 -0.232 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.047 -0.250 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.290 0.062 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.430 0.649 -1.571 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.629 1.255 -2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.842 2.629 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.839 3.377 -2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.050 4.764 0.554 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.262 5.795 -1.706 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.614 -2.181 -2.738 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.917 -3.469 -2.779 1.00 0.00 C ATOM 1196 C TYR A 77 -7.792 -3.414 -3.806 1.00 0.00 C ATOM 1197 O TYR A 77 -7.962 -2.847 -4.881 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.873 -4.574 -3.181 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.093 -4.595 -4.666 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.022 -3.749 -5.253 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.346 -5.428 -5.486 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.208 -3.733 -6.617 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.527 -5.419 -6.856 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.457 -4.570 -7.417 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.640 -4.560 -8.781 1.00 0.00 O ATOM 0 H TYR A 77 -9.278 -1.511 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.515 -3.672 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.476 -5.536 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.827 -4.435 -2.672 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.610 -3.091 -4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.614 -6.091 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.937 -3.070 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.942 -6.074 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.777 -4.423 -9.226 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.647 -3.995 -3.484 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.514 -3.973 -4.403 1.00 0.00 C ATOM 1217 C VAL A 78 -5.464 -5.183 -5.328 1.00 0.00 C ATOM 1218 O VAL A 78 -5.444 -5.037 -6.550 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.182 -3.895 -3.639 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -3.273 -5.058 -4.006 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.505 -2.557 -3.889 1.00 0.00 C ATOM 0 H VAL A 78 -6.476 -4.483 -2.605 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.658 -3.082 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.391 -3.972 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.338 -4.978 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.765 -5.998 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.064 -5.033 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.563 -2.518 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.310 -2.442 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.156 -1.751 -3.550 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.383 -6.369 -4.745 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.264 -7.588 -5.530 1.00 0.00 C ATOM 1233 C ALA A 79 -6.605 -8.235 -5.861 1.00 0.00 C ATOM 1234 O ALA A 79 -6.795 -9.415 -5.582 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.399 -8.586 -4.782 1.00 0.00 C ATOM 0 H ALA A 79 -5.397 -6.513 -3.735 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.809 -7.304 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.308 -9.500 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.409 -8.160 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.857 -8.816 -3.820 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.529 -7.491 -6.466 1.00 0.00 N ATOM 1242 CA GLU A 80 -8.825 -8.071 -6.811 1.00 0.00 C ATOM 1243 C GLU A 80 -9.076 -9.281 -5.929 1.00 0.00 C ATOM 1244 O GLU A 80 -9.655 -10.282 -6.352 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.864 -8.470 -8.287 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.367 -7.366 -9.203 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.086 -7.904 -10.424 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.124 -8.577 -10.254 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.610 -7.653 -11.551 1.00 0.00 O ATOM 0 H GLU A 80 -7.410 -6.511 -6.722 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.606 -7.329 -6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.863 -8.764 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.504 -9.345 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.042 -6.716 -8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.525 -6.752 -9.523 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.617 -9.160 -4.694 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.750 -10.205 -3.696 1.00 0.00 C ATOM 1258 C LYS A 81 -9.936 -9.903 -2.809 1.00 0.00 C ATOM 1259 O LYS A 81 -10.983 -10.547 -2.872 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.502 -10.230 -2.820 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.271 -10.847 -3.457 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.003 -10.267 -2.847 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.539 -11.076 -1.651 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.408 -10.228 -0.437 1.00 0.00 N ATOM 0 H LYS A 81 -8.138 -8.326 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.883 -11.163 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.264 -9.207 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.731 -10.779 -1.906 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.286 -11.928 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.281 -10.664 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.214 -10.243 -3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.184 -9.236 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.247 -11.882 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.580 -11.542 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.493 -10.822 0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.480 -9.759 -0.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.159 -9.509 -0.433 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.736 -8.886 -1.990 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.736 -8.410 -1.064 1.00 0.00 C ATOM 1280 C TYR A 82 -11.110 -6.988 -1.435 1.00 0.00 C ATOM 1281 O TYR A 82 -10.822 -6.535 -2.538 1.00 0.00 O ATOM 1282 CB TYR A 82 -10.177 -8.433 0.362 1.00 0.00 C ATOM 1283 CG TYR A 82 -9.249 -9.592 0.641 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.123 -9.812 -0.142 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -9.492 -10.461 1.696 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.268 -10.864 0.116 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.642 -11.516 1.962 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.531 -11.714 1.169 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.680 -12.765 1.430 1.00 0.00 O ATOM 0 H TYR A 82 -8.861 -8.363 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.615 -9.053 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.643 -7.501 0.547 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.008 -8.469 1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.913 -9.148 -0.967 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.361 -10.309 2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.397 -11.021 -0.504 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.846 -12.183 2.787 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.008 -13.266 2.206 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.715 -6.284 -0.500 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.091 -4.896 -0.704 1.00 0.00 C ATOM 1301 C VAL A 83 -12.454 -4.275 0.630 1.00 0.00 C ATOM 1302 O VAL A 83 -12.750 -4.988 1.589 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.275 -4.723 -1.677 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.845 -4.953 -3.121 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.419 -5.640 -1.287 1.00 0.00 C ATOM 0 H VAL A 83 -11.960 -6.653 0.419 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.231 -4.398 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.626 -3.693 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.703 -4.824 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.070 -4.235 -3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.455 -5.965 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.247 -5.506 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.082 -6.676 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.751 -5.398 -0.278 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.432 -2.959 0.703 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.767 -2.293 1.946 1.00 0.00 C ATOM 1317 C PHE A 84 -13.291 -0.886 1.703 1.00 0.00 C ATOM 1318 O PHE A 84 -13.368 -0.425 0.564 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.546 -2.253 2.867 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.881 -3.591 3.023 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.907 -4.004 2.128 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.235 -4.438 4.060 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.299 -5.239 2.264 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.630 -5.673 4.203 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.662 -6.075 3.302 1.00 0.00 C ATOM 0 H PHE A 84 -12.190 -2.338 -0.069 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.561 -2.863 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.824 -1.539 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.850 -1.889 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.619 -3.354 1.315 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.993 -4.130 4.765 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.541 -5.549 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.913 -6.323 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.190 -7.041 3.409 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.653 -0.212 2.785 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.174 1.143 2.704 1.00 0.00 C ATOM 1337 C ASP A 85 -13.058 2.158 2.897 1.00 0.00 C ATOM 1338 O ASP A 85 -13.286 3.365 2.821 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.265 1.357 3.755 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.838 2.323 4.843 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -13.759 2.110 5.435 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.582 3.292 5.102 1.00 0.00 O ATOM 0 H ASP A 85 -13.595 -0.584 3.733 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.606 1.285 1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.164 1.736 3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.525 0.399 4.205 1.00 0.00 H new ATOM 1347 N SER A 86 -11.849 1.665 3.146 1.00 0.00 N ATOM 1348 CA SER A 86 -10.708 2.546 3.346 1.00 0.00 C ATOM 1349 C SER A 86 -9.381 1.786 3.317 1.00 0.00 C ATOM 1350 O SER A 86 -9.288 0.605 3.705 1.00 0.00 O ATOM 1351 CB SER A 86 -10.847 3.304 4.667 1.00 0.00 C ATOM 1352 OG SER A 86 -10.888 4.704 4.448 1.00 0.00 O ATOM 0 H SER A 86 -11.637 0.670 3.213 1.00 0.00 H new ATOM 0 HA SER A 86 -10.699 3.256 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.755 2.986 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.010 3.059 5.321 1.00 0.00 H new ATOM 0 HG SER A 86 -11.636 4.920 3.853 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.350 2.487 2.862 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.020 1.922 2.779 1.00 0.00 C ATOM 1360 C ILE A 87 -6.594 1.350 4.124 1.00 0.00 C ATOM 1361 O ILE A 87 -6.046 0.258 4.188 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.982 2.971 2.347 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.113 3.313 0.862 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.581 2.468 2.648 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.347 2.742 0.206 1.00 0.00 C ATOM 0 H ILE A 87 -8.416 3.454 2.544 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.061 1.131 2.030 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.169 3.883 2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.123 4.397 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.232 2.946 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.851 3.217 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.482 2.285 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.402 1.541 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.366 3.029 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.331 1.655 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.236 3.129 0.704 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.838 2.080 5.227 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.458 1.614 6.559 1.00 0.00 C ATOM 1379 C PRO A 88 -6.986 0.216 6.830 1.00 0.00 C ATOM 1380 O PRO A 88 -6.231 -0.672 7.229 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.096 2.630 7.513 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.014 3.460 6.673 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.485 3.395 5.268 1.00 0.00 C ATOM 0 HA PRO A 88 -5.376 1.549 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.644 2.127 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.336 3.249 7.990 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.034 3.079 6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.041 4.490 7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.284 3.476 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.779 4.200 5.064 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.270 -0.002 6.564 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.838 -1.324 6.740 1.00 0.00 C ATOM 1393 C LEU A 89 -8.239 -2.224 5.680 1.00 0.00 C ATOM 1394 O LEU A 89 -7.717 -3.309 5.974 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.365 -1.312 6.620 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.019 0.065 6.702 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -10.999 0.739 5.342 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.445 -0.058 7.217 1.00 0.00 C ATOM 0 H LEU A 89 -8.923 0.708 6.232 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.605 -1.686 7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.641 -1.770 5.670 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.779 -1.939 7.409 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.452 0.681 7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.469 1.720 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.968 0.854 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.546 0.127 4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.899 0.931 7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.023 -0.687 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.436 -0.507 8.210 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.273 -1.741 4.436 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.690 -2.492 3.343 1.00 0.00 C ATOM 1412 C LEU A 90 -6.230 -2.784 3.662 1.00 0.00 C ATOM 1413 O LEU A 90 -5.712 -3.855 3.344 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.810 -1.724 2.032 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.477 -2.542 0.789 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.473 -2.248 -0.320 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.053 -2.259 0.335 1.00 0.00 C ATOM 0 H LEU A 90 -8.692 -0.849 4.172 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.230 -3.431 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.827 -1.344 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.148 -0.859 2.070 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.549 -3.601 1.036 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.222 -2.839 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.478 -2.505 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.435 -1.188 -0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.830 -2.850 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.949 -1.199 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.358 -2.524 1.131 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.584 -1.832 4.332 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.199 -1.991 4.743 1.00 0.00 C ATOM 1431 C ILE A 91 -4.164 -2.865 5.980 1.00 0.00 C ATOM 1432 O ILE A 91 -3.277 -3.701 6.150 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.512 -0.641 5.052 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.607 0.283 3.844 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.051 -0.851 5.438 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.870 -0.247 2.645 1.00 0.00 C ATOM 0 H ILE A 91 -6.003 -0.941 4.600 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.653 -2.448 3.918 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.026 -0.180 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.656 0.428 3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.206 1.261 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.589 0.113 5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.996 -1.483 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.523 -1.333 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.973 0.453 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.815 -0.366 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.287 -1.212 2.359 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.171 -2.679 6.827 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.297 -3.465 8.038 1.00 0.00 C ATOM 1450 C GLN A 92 -5.431 -4.932 7.666 1.00 0.00 C ATOM 1451 O GLN A 92 -4.903 -5.809 8.348 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.509 -3.012 8.854 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.257 -1.758 9.675 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.783 -1.534 9.958 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.019 -1.238 8.913 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.338 -1.625 11.102 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.910 -1.989 6.692 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.407 -3.323 8.651 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.345 -2.831 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.809 -3.819 9.522 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.657 -0.894 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.798 -1.831 10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.962 -1.855 11.875 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.345 -1.471 11.277 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.128 -5.193 6.557 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.303 -6.555 6.086 1.00 0.00 C ATOM 1467 C TYR A 93 -5.016 -7.045 5.429 1.00 0.00 C ATOM 1468 O TYR A 93 -4.694 -8.233 5.477 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.469 -6.635 5.102 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.093 -7.221 3.764 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.921 -8.591 3.607 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.912 -6.405 2.657 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.579 -9.128 2.380 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.570 -6.936 1.430 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.405 -8.297 1.297 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.067 -8.830 0.076 1.00 0.00 O ATOM 0 H TYR A 93 -6.574 -4.481 5.978 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.531 -7.196 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.264 -7.237 5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.874 -5.635 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.056 -9.245 4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.041 -5.337 2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.449 -10.195 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.432 -6.287 0.578 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.674 -9.569 -0.138 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.272 -6.114 4.831 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.008 -6.443 4.184 1.00 0.00 C ATOM 1488 C HIS A 94 -1.884 -6.471 5.216 1.00 0.00 C ATOM 1489 O HIS A 94 -0.838 -7.084 5.000 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.696 -5.433 3.078 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.118 -5.876 1.715 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.688 -5.498 0.488 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -4.113 -6.804 1.501 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -3.427 -6.196 -0.436 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.280 -6.976 0.202 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.525 -5.127 4.783 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.091 -7.431 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.190 -4.490 3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.624 -5.238 3.070 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.670 -7.312 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.327 -6.119 -1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.954 -7.605 -0.234 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.118 -5.808 6.347 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.141 -5.754 7.432 1.00 0.00 C ATOM 1506 C GLN A 95 -1.225 -7.009 8.293 1.00 0.00 C ATOM 1507 O GLN A 95 -0.212 -7.645 8.585 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.382 -4.518 8.298 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.314 -3.448 8.149 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.235 -2.531 9.354 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.365 -1.231 9.118 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -0.059 -2.987 10.484 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.981 -5.298 6.536 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.145 -5.696 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.351 -4.089 8.042 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.435 -4.823 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.654 -3.925 7.996 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.521 -2.855 7.258 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.036 -3.994 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.008 -2.358 11.285 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.442 -7.359 8.698 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.665 -8.537 9.528 1.00 0.00 C ATOM 1523 C TYR A 96 -2.941 -9.765 8.666 1.00 0.00 C ATOM 1524 O TYR A 96 -2.069 -10.614 8.480 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.835 -8.298 10.483 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.481 -7.435 11.670 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.426 -6.535 11.608 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -4.205 -7.518 12.852 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.101 -5.742 12.692 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.887 -6.728 13.939 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.835 -5.842 13.854 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.515 -5.054 14.936 1.00 0.00 O ATOM 0 H TYR A 96 -3.290 -6.842 8.464 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.761 -8.718 10.109 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.651 -7.828 9.934 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.203 -9.260 10.841 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.850 -6.453 10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -5.030 -8.211 12.922 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.276 -5.048 12.629 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.460 -6.804 14.851 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.130 -5.247 15.674 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.159 -9.852 8.141 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.549 -10.976 7.299 1.00 0.00 C ATOM 1544 C ASN A 97 -3.404 -11.388 6.380 1.00 0.00 C ATOM 1545 O ASN A 97 -2.369 -10.724 6.328 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.781 -10.616 6.467 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.808 -9.833 7.263 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.432 -8.905 6.749 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.986 -10.204 8.525 1.00 0.00 N ATOM 0 H ASN A 97 -4.892 -9.158 8.284 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.792 -11.817 7.949 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.473 -10.030 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.239 -11.529 6.087 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.662 -9.714 9.110 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.446 -10.979 8.910 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.595 -12.488 5.660 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.568 -12.969 4.756 1.00 0.00 C ATOM 1558 C GLY A 98 -2.862 -12.633 3.307 1.00 0.00 C ATOM 1559 O GLY A 98 -3.204 -13.512 2.518 1.00 0.00 O ATOM 0 H GLY A 98 -4.443 -13.055 5.687 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.609 -12.535 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.473 -14.050 4.862 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.727 -11.357 2.956 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.982 -10.937 1.591 1.00 0.00 C ATOM 1565 C GLY A 99 -1.729 -10.944 0.738 1.00 0.00 C ATOM 1566 O GLY A 99 -0.881 -10.061 0.863 1.00 0.00 O ATOM 0 H GLY A 99 -2.447 -10.609 3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.726 -11.597 1.144 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.408 -9.934 1.597 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.615 -11.944 -0.130 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.454 -12.051 -0.997 1.00 0.00 C ATOM 1572 C GLY A 100 0.495 -10.879 -0.851 1.00 0.00 C ATOM 1573 O GLY A 100 1.144 -10.722 0.184 1.00 0.00 O ATOM 0 H GLY A 100 -2.307 -12.684 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.079 -12.975 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.785 -12.119 -2.033 1.00 0.00 H new ATOM 1577 N LEU A 101 0.577 -10.052 -1.888 1.00 0.00 N ATOM 1578 CA LEU A 101 1.452 -8.888 -1.871 1.00 0.00 C ATOM 1579 C LEU A 101 2.861 -9.273 -1.432 1.00 0.00 C ATOM 1580 O LEU A 101 3.052 -10.254 -0.714 1.00 0.00 O ATOM 1581 CB LEU A 101 0.886 -7.819 -0.936 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.429 -7.185 -1.397 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.613 -7.892 -0.757 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.448 -5.701 -1.066 1.00 0.00 C ATOM 0 H LEU A 101 0.047 -10.168 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 101 1.506 -8.486 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.732 -8.263 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.630 -7.031 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.507 -7.296 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.540 -7.429 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.607 -8.944 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.542 -7.811 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.390 -5.266 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.349 -5.567 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.381 -5.205 -1.571 1.00 0.00 H new ATOM 1596 N VAL A 102 3.847 -8.494 -1.868 1.00 0.00 N ATOM 1597 CA VAL A 102 5.238 -8.755 -1.518 1.00 0.00 C ATOM 1598 C VAL A 102 5.342 -9.405 -0.142 1.00 0.00 C ATOM 1599 O VAL A 102 6.209 -10.245 0.096 1.00 0.00 O ATOM 1600 CB VAL A 102 6.074 -7.462 -1.527 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.857 -6.694 -2.821 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.735 -6.598 -0.321 1.00 0.00 C ATOM 0 H VAL A 102 3.708 -7.678 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 102 5.632 -9.436 -2.272 1.00 0.00 H new ATOM 0 HB VAL A 102 7.128 -7.733 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.456 -5.783 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.156 -7.314 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.803 -6.433 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.336 -5.689 -0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.677 -6.335 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.949 -7.150 0.594 1.00 0.00 H new ATOM 1612 N THR A 103 4.451 -9.008 0.760 1.00 0.00 N ATOM 1613 CA THR A 103 4.437 -9.551 2.113 1.00 0.00 C ATOM 1614 C THR A 103 3.296 -8.948 2.926 1.00 0.00 C ATOM 1615 O THR A 103 3.418 -8.750 4.134 1.00 0.00 O ATOM 1616 CB THR A 103 5.775 -9.285 2.806 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.631 -9.338 4.214 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.377 -7.941 2.457 1.00 0.00 C ATOM 0 H THR A 103 3.728 -8.311 0.578 1.00 0.00 H new ATOM 0 HA THR A 103 4.281 -10.628 2.047 1.00 0.00 H new ATOM 0 HB THR A 103 6.444 -10.067 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.759 -9.724 4.439 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.324 -7.819 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.550 -7.888 1.382 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.692 -7.147 2.754 1.00 0.00 H new ATOM 1626 N ARG A 104 2.185 -8.663 2.251 1.00 0.00 N ATOM 1627 CA ARG A 104 1.017 -8.085 2.908 1.00 0.00 C ATOM 1628 C ARG A 104 1.432 -7.113 4.007 1.00 0.00 C ATOM 1629 O ARG A 104 1.902 -7.526 5.068 1.00 0.00 O ATOM 1630 CB ARG A 104 0.140 -9.192 3.494 1.00 0.00 C ATOM 1631 CG ARG A 104 0.875 -10.094 4.473 1.00 0.00 C ATOM 1632 CD ARG A 104 0.040 -10.372 5.712 1.00 0.00 C ATOM 1633 NE ARG A 104 0.864 -10.782 6.845 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.522 -9.929 7.623 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.452 -8.626 7.389 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.249 -10.378 8.637 1.00 0.00 N ATOM 0 H ARG A 104 2.070 -8.823 1.250 1.00 0.00 H new ATOM 0 HA ARG A 104 0.447 -7.533 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.713 -8.739 3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.257 -9.799 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.126 -11.035 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.815 -9.626 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.523 -9.478 5.978 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.688 -11.153 5.491 1.00 0.00 H new ATOM 0 HE ARG A 104 0.939 -11.778 7.051 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.892 -8.277 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.958 -7.973 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.304 -11.380 8.821 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.753 -9.722 9.233 1.00 0.00 H new ATOM 1650 N LEU A 105 1.255 -5.820 3.749 1.00 0.00 N ATOM 1651 CA LEU A 105 1.614 -4.793 4.722 1.00 0.00 C ATOM 1652 C LEU A 105 2.503 -5.353 5.822 1.00 0.00 C ATOM 1653 O LEU A 105 2.169 -5.275 7.004 1.00 0.00 O ATOM 1654 CB LEU A 105 0.360 -4.161 5.327 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.288 -3.080 4.482 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.473 -2.902 3.188 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.735 -3.419 4.214 1.00 0.00 C ATOM 0 H LEU A 105 0.867 -5.460 2.877 1.00 0.00 H new ATOM 0 HA LEU A 105 2.177 -4.024 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.373 -4.947 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.618 -3.736 6.297 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.256 -2.138 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.002 -2.124 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.501 -2.614 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.469 -3.839 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.186 -2.634 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.794 -4.368 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.271 -3.499 5.160 1.00 0.00 H new ATOM 1669 N ARG A 106 3.646 -5.901 5.427 1.00 0.00 N ATOM 1670 CA ARG A 106 4.591 -6.455 6.383 1.00 0.00 C ATOM 1671 C ARG A 106 5.006 -5.385 7.382 1.00 0.00 C ATOM 1672 O ARG A 106 5.184 -5.657 8.570 1.00 0.00 O ATOM 1673 CB ARG A 106 5.825 -6.990 5.660 1.00 0.00 C ATOM 1674 CG ARG A 106 6.505 -8.141 6.382 1.00 0.00 C ATOM 1675 CD ARG A 106 7.295 -7.655 7.585 1.00 0.00 C ATOM 1676 NE ARG A 106 6.984 -8.419 8.790 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.018 -7.907 10.017 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.348 -6.636 10.198 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.722 -8.666 11.063 1.00 0.00 N ATOM 0 H ARG A 106 3.939 -5.973 4.452 1.00 0.00 H new ATOM 0 HA ARG A 106 4.109 -7.276 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.536 -7.319 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.541 -6.178 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.755 -8.863 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.171 -8.661 5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.361 -7.731 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.079 -6.601 7.759 1.00 0.00 H new ATOM 0 HE ARG A 106 6.726 -9.400 8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.576 -6.049 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.374 -6.245 11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.468 -9.644 10.927 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.749 -8.271 12.003 1.00 0.00 H new ATOM 1693 N TYR A 107 5.156 -4.161 6.886 1.00 0.00 N ATOM 1694 CA TYR A 107 5.547 -3.037 7.724 1.00 0.00 C ATOM 1695 C TYR A 107 5.336 -1.708 7.009 1.00 0.00 C ATOM 1696 O TYR A 107 6.193 -1.262 6.244 1.00 0.00 O ATOM 1697 CB TYR A 107 7.010 -3.154 8.133 1.00 0.00 C ATOM 1698 CG TYR A 107 7.432 -2.052 9.068 1.00 0.00 C ATOM 1699 CD1 TYR A 107 7.225 -2.165 10.433 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.016 -0.892 8.584 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.589 -1.153 11.294 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.388 0.125 9.437 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.173 -0.008 10.793 1.00 0.00 C ATOM 1704 OH TYR A 107 8.539 1.006 11.648 1.00 0.00 O ATOM 0 H TYR A 107 5.012 -3.924 5.905 1.00 0.00 H new ATOM 0 HA TYR A 107 4.915 -3.063 8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.174 -4.118 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.637 -3.131 7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.771 -3.061 10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.182 -0.783 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.418 -1.256 12.355 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.846 1.022 9.045 1.00 0.00 H new ATOM 0 HH TYR A 107 8.937 1.740 11.134 1.00 0.00 H new ATOM 1714 N PRO A 108 4.198 -1.047 7.258 1.00 0.00 N ATOM 1715 CA PRO A 108 3.892 0.244 6.647 1.00 0.00 C ATOM 1716 C PRO A 108 5.035 1.235 6.823 1.00 0.00 C ATOM 1717 O PRO A 108 5.306 1.698 7.931 1.00 0.00 O ATOM 1718 CB PRO A 108 2.643 0.723 7.401 1.00 0.00 C ATOM 1719 CG PRO A 108 2.506 -0.190 8.575 1.00 0.00 C ATOM 1720 CD PRO A 108 3.127 -1.488 8.156 1.00 0.00 C ATOM 0 HA PRO A 108 3.738 0.161 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.752 1.759 7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.760 0.678 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.010 0.220 9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.459 -0.326 8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.515 -2.047 9.008 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.412 -2.136 7.649 1.00 0.00 H new ATOM 1728 N VAL A 109 5.704 1.554 5.723 1.00 0.00 N ATOM 1729 CA VAL A 109 6.817 2.482 5.743 1.00 0.00 C ATOM 1730 C VAL A 109 6.329 3.907 5.545 1.00 0.00 C ATOM 1731 O VAL A 109 5.502 4.174 4.674 1.00 0.00 O ATOM 1732 CB VAL A 109 7.831 2.140 4.638 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.429 2.789 3.322 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.235 2.557 5.047 1.00 0.00 C ATOM 0 H VAL A 109 5.489 1.177 4.800 1.00 0.00 H new ATOM 0 HA VAL A 109 7.302 2.397 6.716 1.00 0.00 H new ATOM 0 HB VAL A 109 7.831 1.059 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.159 2.535 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.446 2.426 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.394 3.871 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.936 2.306 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.258 3.632 5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.519 2.032 5.959 1.00 0.00 H new ATOM 1744 N CYS A 110 6.842 4.823 6.351 1.00 0.00 N ATOM 1745 CA CYS A 110 6.453 6.216 6.244 1.00 0.00 C ATOM 1746 C CYS A 110 7.681 7.099 6.081 1.00 0.00 C ATOM 1747 O CYS A 110 8.236 7.608 7.053 1.00 0.00 O ATOM 1748 CB CYS A 110 5.639 6.638 7.469 1.00 0.00 C ATOM 1749 SG CYS A 110 6.080 8.260 8.137 1.00 0.00 S ATOM 0 H CYS A 110 7.525 4.626 7.082 1.00 0.00 H new ATOM 0 HA CYS A 110 5.827 6.336 5.360 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.582 6.643 7.203 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.767 5.889 8.251 1.00 0.00 H new ATOM 0 HG CYS A 110 7.374 8.371 8.187 1.00 0.00 H new ATOM 1755 N GLY A 111 8.098 7.268 4.833 1.00 0.00 N ATOM 1756 CA GLY A 111 9.260 8.087 4.542 1.00 0.00 C ATOM 1757 C GLY A 111 9.178 9.460 5.177 1.00 0.00 C ATOM 1758 O GLY A 111 8.086 9.989 5.386 1.00 0.00 O ATOM 0 H GLY A 111 7.652 6.852 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.156 7.579 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.362 8.196 3.462 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.328 10.046 5.491 1.00 0.00 N TER 1765 NH2 A 112