USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 882 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= 0 X(o=-0.51,f=-0.51) USER MOD Set 1.2: A 47 SER OG : rot -90:sc= -0.513 USER MOD Set 2.1: A 34 MET CE :methyl 157:sc= -0.897 (180deg=-1.56) USER MOD Set 2.2: A 58 HIS : no HD1:sc= -0.117 X(o=-1,f=-1.1) USER MOD Set 3.1: A 1 MET N :NH3+ -114:sc= 1.47 (180deg=-0.743) USER MOD Set 3.2: A 3 THR OG1 : rot -118:sc= 1.46 USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0125 (180deg=-1.35!) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.0574 F(o=-1.9,f=-0.057) USER MOD Single : A 7 ASN : amide:sc= -3.26 K(o=-3.3,f=-13!) USER MOD Single : A 8 GLN :FLIP amide:sc= -6.09! C(o=-14!,f=-6.1!) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.121 F(o=-0.84,f=-0.12) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 1.07 (180deg=0.8) USER MOD Single : A 15 SER OG : rot 180:sc= -0.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 36 SER OG : rot 25:sc= -1.67! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -16:sc= -2.67 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.035 F(o=-2.6,f=-0.035) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= 0.409 (180deg=-0.0237) USER MOD Single : A 62 SER OG : rot 94:sc= 1.19 USER MOD Single : A 63 SER OG : rot 92:sc= 0.693 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -13:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -123:sc= -0.125 (180deg=-1.65) USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= 0.655 (180deg=-1.75!) USER MOD Single : A 86 ASN :FLIP amide:sc= -0.437 F(o=-3!,f=-0.44) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN :FLIP amide:sc= -9.3! C(o=-9.8!,f=-9.3!) USER MOD Single : A 91 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.51) USER MOD Single : A 93 MET CE :methyl 154:sc= -0.346 (180deg=-0.989) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -178:sc= -1.13 (180deg=-1.14) USER MOD Single : A 103 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-4.4!) USER MOD Single : A 105 THR OG1 : rot 34:sc= 0.622 USER MOD Single : A 109 TYR OH : rot -158:sc= 0.179 USER MOD Single : A 111 SER OG : rot -27:sc= 0.029 USER MOD Single : A 113 THR OG1 : rot 160:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.931! C(o=-0.93!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.071 7.807 9.938 1.00 0.00 N ATOM 2 CA MET A 1 1.738 6.573 9.206 1.00 0.00 C ATOM 3 C MET A 1 0.881 6.822 7.959 1.00 0.00 C ATOM 4 O MET A 1 1.345 7.391 6.974 1.00 0.00 O ATOM 5 CB MET A 1 1.167 5.429 10.106 1.00 0.00 C ATOM 6 CG MET A 1 0.004 5.766 11.071 1.00 0.00 C ATOM 7 SD MET A 1 0.497 6.861 12.425 1.00 0.00 S ATOM 8 CE MET A 1 -0.911 6.701 13.523 1.00 0.00 C ATOM 0 H1 MET A 1 3.096 7.976 9.886 1.00 0.00 H new ATOM 0 H2 MET A 1 1.566 8.610 9.512 1.00 0.00 H new ATOM 0 H3 MET A 1 1.786 7.708 10.933 1.00 0.00 H new ATOM 0 HA MET A 1 2.699 6.203 8.849 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.833 4.625 9.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.989 5.033 10.702 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.803 6.235 10.508 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.394 4.841 11.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.362 7.681 13.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.646 6.031 13.077 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.582 6.294 14.479 1.00 0.00 H new ATOM 17 N ASN A 2 -0.361 6.401 8.009 1.00 0.00 N ATOM 18 CA ASN A 2 -1.308 6.519 6.915 1.00 0.00 C ATOM 19 C ASN A 2 -2.421 7.379 7.455 1.00 0.00 C ATOM 20 O ASN A 2 -3.562 7.314 7.016 1.00 0.00 O ATOM 21 CB ASN A 2 -1.870 5.121 6.590 1.00 0.00 C ATOM 22 CG ASN A 2 -0.792 4.063 6.413 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.361 3.827 5.195 1.00 0.00 O flip ATOM 24 ND2 ASN A 2 -0.364 3.448 7.374 1.00 0.00 N flip ATOM 0 H ASN A 2 -0.756 5.953 8.835 1.00 0.00 H new ATOM 0 HA ASN A 2 -0.857 6.936 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.543 4.813 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.465 5.179 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -0.717 3.652 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.347 2.729 7.244 1.00 0.00 H new ATOM 31 N THR A 3 -2.039 8.228 8.369 1.00 0.00 N ATOM 32 CA THR A 3 -2.896 8.953 9.252 1.00 0.00 C ATOM 33 C THR A 3 -3.698 10.097 8.593 1.00 0.00 C ATOM 34 O THR A 3 -3.964 10.119 7.364 1.00 0.00 O ATOM 35 CB THR A 3 -1.982 9.504 10.360 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.755 8.749 10.346 1.00 0.00 O ATOM 37 CG2 THR A 3 -2.620 9.343 11.736 1.00 0.00 C ATOM 0 H THR A 3 -1.054 8.442 8.523 1.00 0.00 H new ATOM 0 HA THR A 3 -3.667 8.278 9.623 1.00 0.00 H new ATOM 0 HB THR A 3 -1.809 10.564 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.645 8.287 11.203 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.949 9.742 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.565 9.886 11.765 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.802 8.286 11.931 1.00 0.00 H new ATOM 45 N ASP A 4 -4.095 11.009 9.461 1.00 0.00 N ATOM 46 CA ASP A 4 -4.951 12.152 9.191 1.00 0.00 C ATOM 47 C ASP A 4 -4.259 13.143 8.305 1.00 0.00 C ATOM 48 O ASP A 4 -3.704 14.140 8.748 1.00 0.00 O ATOM 49 CB ASP A 4 -5.470 12.776 10.478 1.00 0.00 C ATOM 50 CG ASP A 4 -6.514 13.828 10.221 1.00 0.00 C ATOM 51 OD1 ASP A 4 -7.305 13.670 9.274 1.00 0.00 O ATOM 52 OD2 ASP A 4 -6.552 14.826 10.969 1.00 0.00 O ATOM 0 H ASP A 4 -3.809 10.969 10.439 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.828 11.800 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.891 11.997 11.113 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.638 13.219 11.026 1.00 0.00 H new ATOM 57 N VAL A 5 -4.217 12.786 7.048 1.00 0.00 N ATOM 58 CA VAL A 5 -3.545 13.496 6.006 1.00 0.00 C ATOM 59 C VAL A 5 -3.911 12.826 4.692 1.00 0.00 C ATOM 60 O VAL A 5 -4.166 13.485 3.689 1.00 0.00 O ATOM 61 CB VAL A 5 -1.996 13.454 6.210 1.00 0.00 C ATOM 62 CG1 VAL A 5 -1.400 12.040 6.107 1.00 0.00 C ATOM 63 CG2 VAL A 5 -1.287 14.427 5.287 1.00 0.00 C ATOM 0 H VAL A 5 -4.680 11.942 6.711 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.849 14.543 6.011 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.822 13.774 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.322 12.088 6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.846 11.401 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.609 11.628 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.212 14.371 5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.505 14.170 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.634 15.440 5.490 1.00 0.00 H new ATOM 73 N LEU A 6 -3.998 11.499 4.716 1.00 0.00 N ATOM 74 CA LEU A 6 -4.263 10.788 3.508 1.00 0.00 C ATOM 75 C LEU A 6 -5.412 9.822 3.604 1.00 0.00 C ATOM 76 O LEU A 6 -6.238 9.810 2.749 1.00 0.00 O ATOM 77 CB LEU A 6 -2.982 10.140 2.941 1.00 0.00 C ATOM 78 CG LEU A 6 -2.231 9.109 3.807 1.00 0.00 C ATOM 79 CD1 LEU A 6 -2.849 7.721 3.721 1.00 0.00 C ATOM 80 CD2 LEU A 6 -0.753 9.066 3.450 1.00 0.00 C ATOM 0 H LEU A 6 -3.889 10.920 5.549 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.597 11.535 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.245 9.654 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.284 10.942 2.701 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.326 9.438 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.284 7.032 4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.882 7.761 4.065 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.824 7.375 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.249 8.330 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.640 8.789 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.310 10.048 3.615 1.00 0.00 H new ATOM 92 N ASN A 7 -5.479 8.994 4.607 1.00 0.00 N ATOM 93 CA ASN A 7 -6.529 7.994 4.567 1.00 0.00 C ATOM 94 C ASN A 7 -7.920 8.587 4.822 1.00 0.00 C ATOM 95 O ASN A 7 -8.740 8.633 4.001 1.00 0.00 O ATOM 96 CB ASN A 7 -6.196 6.850 5.479 1.00 0.00 C ATOM 97 CG ASN A 7 -6.699 5.522 4.905 1.00 0.00 C ATOM 98 OD1 ASN A 7 -7.792 5.048 5.209 1.00 0.00 O ATOM 99 ND2 ASN A 7 -5.908 4.916 4.042 1.00 0.00 N ATOM 0 H ASN A 7 -4.864 8.979 5.421 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.578 7.597 3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.117 6.801 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.644 7.019 6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.199 4.037 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.005 5.326 3.803 1.00 0.00 H new ATOM 106 N GLN A 8 -8.049 9.295 5.822 1.00 0.00 N ATOM 107 CA GLN A 8 -9.325 9.852 6.224 1.00 0.00 C ATOM 108 C GLN A 8 -9.559 11.105 5.400 1.00 0.00 C ATOM 109 O GLN A 8 -10.671 11.451 5.112 1.00 0.00 O ATOM 110 CB GLN A 8 -9.415 10.171 7.747 1.00 0.00 C ATOM 111 CG GLN A 8 -8.650 9.208 8.668 1.00 0.00 C ATOM 112 CD GLN A 8 -7.184 9.536 8.740 1.00 0.00 C ATOM 113 OE1 GLN A 8 -6.711 10.295 7.775 1.00 0.00 O flip ATOM 114 NE2 GLN A 8 -6.512 9.228 9.711 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.276 9.542 6.440 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.098 9.105 6.043 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.039 11.181 7.912 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.465 10.170 8.040 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.079 9.247 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.775 8.187 8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.911 8.638 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.551 9.561 9.793 1.00 0.00 H new ATOM 123 N GLN A 9 -8.503 11.780 4.969 1.00 0.00 N ATOM 124 CA GLN A 9 -8.708 12.887 4.078 1.00 0.00 C ATOM 125 C GLN A 9 -8.859 12.380 2.656 1.00 0.00 C ATOM 126 O GLN A 9 -9.958 12.235 2.165 1.00 0.00 O ATOM 127 CB GLN A 9 -7.563 13.903 4.175 1.00 0.00 C ATOM 128 CG GLN A 9 -7.508 14.665 5.497 1.00 0.00 C ATOM 129 CD GLN A 9 -8.738 15.532 5.743 1.00 0.00 C ATOM 130 OE1 GLN A 9 -9.316 16.076 4.689 1.00 0.00 O flip ATOM 131 NE2 GLN A 9 -9.142 15.742 6.886 1.00 0.00 N flip ATOM 0 H GLN A 9 -7.533 11.583 5.216 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.624 13.400 4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.617 13.381 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.659 14.620 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.404 13.953 6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.619 15.296 5.509 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.674 15.306 7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.945 16.352 7.039 1.00 0.00 H new ATOM 140 N LYS A 10 -7.754 11.930 2.095 1.00 0.00 N ATOM 141 CA LYS A 10 -7.652 11.573 0.685 1.00 0.00 C ATOM 142 C LYS A 10 -8.407 10.284 0.355 1.00 0.00 C ATOM 143 O LYS A 10 -8.829 10.087 -0.773 1.00 0.00 O ATOM 144 CB LYS A 10 -6.180 11.428 0.313 1.00 0.00 C ATOM 145 CG LYS A 10 -5.888 11.352 -1.175 1.00 0.00 C ATOM 146 CD LYS A 10 -6.421 12.588 -1.900 1.00 0.00 C ATOM 147 CE LYS A 10 -5.875 13.857 -1.262 1.00 0.00 C ATOM 148 NZ LYS A 10 -6.476 15.088 -1.813 1.00 0.00 N ATOM 0 H LYS A 10 -6.884 11.798 2.611 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.114 12.370 0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.632 12.273 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.790 10.528 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.813 11.267 -1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.344 10.455 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.136 12.551 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.510 12.596 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.054 13.822 -0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.795 13.892 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.883 15.905 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.541 15.009 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.428 15.218 -1.415 1.00 0.00 H new ATOM 162 N ILE A 11 -8.643 9.442 1.335 1.00 0.00 N ATOM 163 CA ILE A 11 -9.354 8.243 1.062 1.00 0.00 C ATOM 164 C ILE A 11 -10.785 8.446 1.336 1.00 0.00 C ATOM 165 O ILE A 11 -11.587 8.016 0.585 1.00 0.00 O ATOM 166 CB ILE A 11 -8.789 6.955 1.800 1.00 0.00 C ATOM 167 CG1 ILE A 11 -8.522 5.886 0.823 1.00 0.00 C ATOM 168 CG2 ILE A 11 -9.769 6.357 2.846 1.00 0.00 C ATOM 169 CD1 ILE A 11 -9.780 5.410 0.220 1.00 0.00 C ATOM 0 H ILE A 11 -8.355 9.572 2.305 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.208 8.028 0.003 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.886 7.291 2.310 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.856 6.256 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.011 5.057 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.316 5.481 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.983 7.103 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.696 6.068 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.563 4.620 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.433 5.020 1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.276 6.237 -0.288 1.00 0.00 H new ATOM 181 N GLU A 12 -11.123 9.191 2.334 1.00 0.00 N ATOM 182 CA GLU A 12 -12.493 9.252 2.657 1.00 0.00 C ATOM 183 C GLU A 12 -13.181 10.180 1.622 1.00 0.00 C ATOM 184 O GLU A 12 -14.295 9.893 1.148 1.00 0.00 O ATOM 185 CB GLU A 12 -12.534 9.643 4.126 1.00 0.00 C ATOM 186 CG GLU A 12 -13.767 9.293 4.931 1.00 0.00 C ATOM 187 CD GLU A 12 -14.986 10.116 4.584 1.00 0.00 C ATOM 188 OE1 GLU A 12 -15.109 11.260 5.078 1.00 0.00 O ATOM 189 OE2 GLU A 12 -15.851 9.649 3.830 1.00 0.00 O ATOM 0 H GLU A 12 -10.493 9.743 2.915 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.064 8.327 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.676 9.182 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.394 10.722 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.999 8.239 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.545 9.422 5.990 1.00 0.00 H new ATOM 196 N GLU A 13 -12.383 11.135 1.104 1.00 0.00 N ATOM 197 CA GLU A 13 -12.855 12.116 0.120 1.00 0.00 C ATOM 198 C GLU A 13 -12.896 11.511 -1.290 1.00 0.00 C ATOM 199 O GLU A 13 -13.774 11.834 -2.095 1.00 0.00 O ATOM 200 CB GLU A 13 -11.954 13.369 0.079 1.00 0.00 C ATOM 201 CG GLU A 13 -10.607 13.165 -0.624 1.00 0.00 C ATOM 202 CD GLU A 13 -9.889 14.452 -0.955 1.00 0.00 C ATOM 203 OE1 GLU A 13 -10.338 15.166 -1.876 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.837 14.743 -0.360 1.00 0.00 O ATOM 0 H GLU A 13 -11.401 11.244 1.357 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.859 12.403 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.493 14.172 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.769 13.701 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.965 12.555 0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.770 12.604 -1.544 1.00 0.00 H new ATOM 211 N LEU A 14 -11.921 10.664 -1.590 1.00 0.00 N ATOM 212 CA LEU A 14 -11.811 10.129 -2.911 1.00 0.00 C ATOM 213 C LEU A 14 -12.430 8.767 -3.032 1.00 0.00 C ATOM 214 O LEU A 14 -12.753 8.364 -4.130 1.00 0.00 O ATOM 215 CB LEU A 14 -10.357 10.138 -3.374 1.00 0.00 C ATOM 216 CG LEU A 14 -10.107 9.802 -4.841 1.00 0.00 C ATOM 217 CD1 LEU A 14 -10.854 10.779 -5.729 1.00 0.00 C ATOM 218 CD2 LEU A 14 -8.627 9.865 -5.130 1.00 0.00 C ATOM 0 H LEU A 14 -11.209 10.344 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.381 10.778 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.942 11.126 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.800 9.429 -2.762 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.468 8.794 -5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.671 10.533 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -11.922 10.715 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.506 11.792 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.450 9.625 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.258 10.869 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.102 9.147 -4.500 1.00 0.00 H new ATOM 230 N SER A 15 -12.503 8.012 -1.938 1.00 0.00 N ATOM 231 CA SER A 15 -13.232 6.776 -1.945 1.00 0.00 C ATOM 232 C SER A 15 -14.653 7.187 -2.275 1.00 0.00 C ATOM 233 O SER A 15 -15.046 7.090 -3.426 1.00 0.00 O ATOM 234 CB SER A 15 -13.159 6.085 -0.568 1.00 0.00 C ATOM 235 OG SER A 15 -13.608 4.748 -0.574 1.00 0.00 O ATOM 0 H SER A 15 -12.064 8.245 -1.047 1.00 0.00 H new ATOM 0 HA SER A 15 -12.831 6.057 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.128 6.110 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.755 6.655 0.145 1.00 0.00 H new ATOM 0 HG SER A 15 -13.532 4.373 0.328 1.00 0.00 H new ATOM 241 N ALA A 16 -15.408 7.634 -1.257 1.00 0.00 N ATOM 242 CA ALA A 16 -16.703 8.249 -1.516 1.00 0.00 C ATOM 243 C ALA A 16 -17.593 7.396 -2.454 1.00 0.00 C ATOM 244 O ALA A 16 -17.702 6.189 -2.293 1.00 0.00 O ATOM 245 CB ALA A 16 -16.406 9.606 -2.142 1.00 0.00 C ATOM 0 H ALA A 16 -15.145 7.580 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.267 8.340 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.343 10.119 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.817 10.206 -1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.845 9.466 -3.066 1.00 0.00 H new ATOM 251 N GLU A 17 -18.203 8.056 -3.437 1.00 0.00 N ATOM 252 CA GLU A 17 -19.061 7.435 -4.438 1.00 0.00 C ATOM 253 C GLU A 17 -18.309 6.456 -5.324 1.00 0.00 C ATOM 254 O GLU A 17 -18.927 5.703 -6.077 1.00 0.00 O ATOM 255 CB GLU A 17 -19.675 8.485 -5.331 1.00 0.00 C ATOM 256 CG GLU A 17 -20.627 9.441 -4.647 1.00 0.00 C ATOM 257 CD GLU A 17 -21.190 10.451 -5.617 1.00 0.00 C ATOM 258 OE1 GLU A 17 -22.145 10.125 -6.336 1.00 0.00 O ATOM 259 OE2 GLU A 17 -20.660 11.585 -5.694 1.00 0.00 O ATOM 0 H GLU A 17 -18.110 9.064 -3.560 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.828 6.893 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.872 9.063 -5.789 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -20.208 7.984 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -21.442 8.880 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.107 9.959 -3.841 1.00 0.00 H new ATOM 266 N ILE A 18 -17.001 6.435 -5.230 1.00 0.00 N ATOM 267 CA ILE A 18 -16.225 5.511 -5.950 1.00 0.00 C ATOM 268 C ILE A 18 -15.709 4.421 -5.077 1.00 0.00 C ATOM 269 O ILE A 18 -16.411 3.414 -4.973 1.00 0.00 O ATOM 270 CB ILE A 18 -15.250 6.109 -6.985 1.00 0.00 C ATOM 271 CG1 ILE A 18 -14.231 7.072 -6.382 1.00 0.00 C ATOM 272 CG2 ILE A 18 -16.059 6.826 -8.054 1.00 0.00 C ATOM 273 CD1 ILE A 18 -13.228 7.623 -7.381 1.00 0.00 C ATOM 0 H ILE A 18 -16.462 7.071 -4.643 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.908 5.009 -6.635 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.676 5.283 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.763 7.904 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -13.690 6.560 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -15.384 7.255 -8.794 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.728 6.117 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.646 7.621 -7.594 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.541 8.298 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.667 6.801 -7.824 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -13.756 8.166 -8.165 1.00 0.00 H new ATOM 285 N GLY A 19 -14.522 4.465 -4.477 1.00 0.00 N ATOM 286 CA GLY A 19 -13.946 3.544 -3.540 1.00 0.00 C ATOM 287 C GLY A 19 -14.852 2.877 -2.554 1.00 0.00 C ATOM 288 O GLY A 19 -14.527 1.788 -2.155 1.00 0.00 O ATOM 0 H GLY A 19 -13.882 5.237 -4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.441 2.763 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.178 4.077 -2.979 1.00 0.00 H new ATOM 292 N SER A 20 -15.971 3.451 -2.160 1.00 0.00 N ATOM 293 CA SER A 20 -16.828 2.764 -1.221 1.00 0.00 C ATOM 294 C SER A 20 -17.296 1.409 -1.826 1.00 0.00 C ATOM 295 O SER A 20 -17.597 0.462 -1.102 1.00 0.00 O ATOM 296 CB SER A 20 -17.965 3.698 -0.791 1.00 0.00 C ATOM 297 OG SER A 20 -18.746 3.157 0.266 1.00 0.00 O ATOM 0 H SER A 20 -16.300 4.366 -2.466 1.00 0.00 H new ATOM 0 HA SER A 20 -16.288 2.507 -0.310 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.546 4.654 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.609 3.899 -1.647 1.00 0.00 H new ATOM 0 HG SER A 20 -19.456 3.789 0.505 1.00 0.00 H new ATOM 303 N ASP A 21 -17.334 1.334 -3.164 1.00 0.00 N ATOM 304 CA ASP A 21 -17.512 0.029 -3.811 1.00 0.00 C ATOM 305 C ASP A 21 -16.271 -0.374 -4.620 1.00 0.00 C ATOM 306 O ASP A 21 -16.241 -1.432 -5.221 1.00 0.00 O ATOM 307 CB ASP A 21 -18.725 0.013 -4.741 1.00 0.00 C ATOM 308 CG ASP A 21 -19.438 -1.341 -4.787 1.00 0.00 C ATOM 309 OD1 ASP A 21 -18.803 -2.390 -5.005 1.00 0.00 O ATOM 310 OD2 ASP A 21 -20.673 -1.377 -4.618 1.00 0.00 O ATOM 0 H ASP A 21 -17.248 2.129 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.670 -0.687 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.432 0.777 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -18.405 0.281 -5.748 1.00 0.00 H new ATOM 315 N ASN A 22 -15.232 0.444 -4.640 1.00 0.00 N ATOM 316 CA ASN A 22 -14.035 0.112 -5.401 1.00 0.00 C ATOM 317 C ASN A 22 -12.877 -0.363 -4.500 1.00 0.00 C ATOM 318 O ASN A 22 -12.241 -1.376 -4.787 1.00 0.00 O ATOM 319 CB ASN A 22 -13.618 1.285 -6.313 1.00 0.00 C ATOM 320 CG ASN A 22 -12.179 1.206 -6.805 1.00 0.00 C ATOM 321 OD1 ASN A 22 -11.266 1.727 -6.164 1.00 0.00 O ATOM 322 ND2 ASN A 22 -11.960 0.581 -7.939 1.00 0.00 N ATOM 0 H ASN A 22 -15.190 1.334 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 22 -14.283 -0.734 -6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.285 1.316 -7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.755 2.220 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.013 0.517 -8.312 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.737 0.159 -8.447 1.00 0.00 H new ATOM 329 N VAL A 23 -12.621 0.343 -3.400 1.00 0.00 N ATOM 330 CA VAL A 23 -11.507 -0.011 -2.525 1.00 0.00 C ATOM 331 C VAL A 23 -11.658 -1.348 -1.775 1.00 0.00 C ATOM 332 O VAL A 23 -10.701 -2.100 -1.774 1.00 0.00 O ATOM 333 CB VAL A 23 -10.920 1.145 -1.645 1.00 0.00 C ATOM 334 CG1 VAL A 23 -11.911 1.720 -0.652 1.00 0.00 C ATOM 335 CG2 VAL A 23 -9.652 0.711 -0.922 1.00 0.00 C ATOM 0 H VAL A 23 -13.162 1.153 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.718 -0.193 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.678 1.942 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.433 2.515 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.770 2.125 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.244 0.934 0.026 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.274 1.539 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.875 -0.136 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.898 0.419 -1.653 1.00 0.00 H new ATOM 345 N PRO A 24 -12.832 -1.720 -1.162 1.00 0.00 N ATOM 346 CA PRO A 24 -12.983 -3.051 -0.540 1.00 0.00 C ATOM 347 C PRO A 24 -12.672 -4.130 -1.574 1.00 0.00 C ATOM 348 O PRO A 24 -12.061 -5.157 -1.270 1.00 0.00 O ATOM 349 CB PRO A 24 -14.473 -3.112 -0.140 1.00 0.00 C ATOM 350 CG PRO A 24 -15.121 -1.965 -0.834 1.00 0.00 C ATOM 351 CD PRO A 24 -14.059 -0.924 -0.984 1.00 0.00 C ATOM 0 HA PRO A 24 -12.317 -3.208 0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.922 -4.058 -0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.592 -3.034 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.512 -2.267 -1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.963 -1.584 -0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.247 -0.277 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.998 -0.281 -0.106 1.00 0.00 H new ATOM 359 N VAL A 25 -13.142 -3.851 -2.784 1.00 0.00 N ATOM 360 CA VAL A 25 -12.830 -4.707 -3.902 1.00 0.00 C ATOM 361 C VAL A 25 -11.302 -4.806 -4.107 1.00 0.00 C ATOM 362 O VAL A 25 -10.737 -5.869 -3.886 1.00 0.00 O ATOM 363 CB VAL A 25 -13.538 -4.260 -5.208 1.00 0.00 C ATOM 364 CG1 VAL A 25 -13.133 -5.139 -6.385 1.00 0.00 C ATOM 365 CG2 VAL A 25 -15.045 -4.313 -5.027 1.00 0.00 C ATOM 0 H VAL A 25 -13.731 -3.049 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.214 -5.698 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 25 -13.231 -3.236 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.646 -4.800 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.055 -5.073 -6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -13.408 -6.173 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.534 -3.997 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.347 -5.332 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.338 -3.647 -4.215 1.00 0.00 H new ATOM 375 N LEU A 26 -10.627 -3.694 -4.446 1.00 0.00 N ATOM 376 CA LEU A 26 -9.191 -3.680 -4.780 1.00 0.00 C ATOM 377 C LEU A 26 -8.335 -4.154 -3.568 1.00 0.00 C ATOM 378 O LEU A 26 -7.576 -5.089 -3.672 1.00 0.00 O ATOM 379 CB LEU A 26 -8.752 -2.238 -5.235 1.00 0.00 C ATOM 380 CG LEU A 26 -7.853 -2.120 -6.511 1.00 0.00 C ATOM 381 CD1 LEU A 26 -6.683 -3.100 -6.480 1.00 0.00 C ATOM 382 CD2 LEU A 26 -8.685 -2.323 -7.768 1.00 0.00 C ATOM 0 H LEU A 26 -11.064 -2.774 -4.496 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.023 -4.373 -5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.654 -1.651 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.220 -1.772 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.433 -1.114 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.086 -2.983 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.062 -2.898 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.064 -4.120 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.045 -2.238 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.141 -3.313 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.466 -1.564 -7.814 1.00 0.00 H new ATOM 394 N LEU A 27 -8.453 -3.404 -2.496 1.00 0.00 N ATOM 395 CA LEU A 27 -7.718 -3.666 -1.265 1.00 0.00 C ATOM 396 C LEU A 27 -7.697 -5.155 -0.902 1.00 0.00 C ATOM 397 O LEU A 27 -6.624 -5.743 -0.763 1.00 0.00 O ATOM 398 CB LEU A 27 -8.326 -2.874 -0.103 1.00 0.00 C ATOM 399 CG LEU A 27 -7.762 -3.202 1.276 1.00 0.00 C ATOM 400 CD1 LEU A 27 -6.291 -2.826 1.376 1.00 0.00 C ATOM 401 CD2 LEU A 27 -8.581 -2.552 2.375 1.00 0.00 C ATOM 0 H LEU A 27 -9.064 -2.588 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.690 -3.348 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.179 -1.811 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.402 -3.050 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.831 -4.281 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.919 -3.072 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.722 -3.379 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.176 -1.756 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.154 -2.805 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.571 -1.470 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.608 -2.914 2.326 1.00 0.00 H new ATOM 413 N ASP A 28 -8.868 -5.774 -0.809 1.00 0.00 N ATOM 414 CA ASP A 28 -8.935 -7.168 -0.390 1.00 0.00 C ATOM 415 C ASP A 28 -8.377 -8.106 -1.453 1.00 0.00 C ATOM 416 O ASP A 28 -7.757 -9.117 -1.125 1.00 0.00 O ATOM 417 CB ASP A 28 -10.358 -7.583 0.027 1.00 0.00 C ATOM 418 CG ASP A 28 -10.437 -9.017 0.539 1.00 0.00 C ATOM 419 OD1 ASP A 28 -10.012 -9.289 1.690 1.00 0.00 O ATOM 420 OD2 ASP A 28 -10.936 -9.904 -0.185 1.00 0.00 O ATOM 0 H ASP A 28 -9.769 -5.342 -1.014 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.302 -7.256 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.715 -6.906 0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.027 -7.471 -0.826 1.00 0.00 H new ATOM 425 N ILE A 29 -8.512 -7.753 -2.725 1.00 0.00 N ATOM 426 CA ILE A 29 -8.047 -8.648 -3.768 1.00 0.00 C ATOM 427 C ILE A 29 -6.553 -8.517 -3.969 1.00 0.00 C ATOM 428 O ILE A 29 -5.865 -9.517 -4.115 1.00 0.00 O ATOM 429 CB ILE A 29 -8.768 -8.477 -5.137 1.00 0.00 C ATOM 430 CG1 ILE A 29 -8.579 -7.050 -5.670 1.00 0.00 C ATOM 431 CG2 ILE A 29 -10.242 -8.842 -5.013 1.00 0.00 C ATOM 432 CD1 ILE A 29 -9.150 -6.766 -7.041 1.00 0.00 C ATOM 0 H ILE A 29 -8.927 -6.880 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.297 -9.646 -3.408 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.320 -9.160 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.032 -6.357 -4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.511 -6.832 -5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.730 -8.717 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.334 -9.879 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.717 -8.191 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.955 -5.728 -7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.682 -7.424 -7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.226 -6.942 -7.031 1.00 0.00 H new ATOM 444 N PHE A 30 -6.042 -7.287 -3.948 1.00 0.00 N ATOM 445 CA PHE A 30 -4.670 -7.034 -4.240 1.00 0.00 C ATOM 446 C PHE A 30 -3.820 -7.562 -3.144 1.00 0.00 C ATOM 447 O PHE A 30 -2.772 -8.077 -3.372 1.00 0.00 O ATOM 448 CB PHE A 30 -4.451 -5.558 -4.572 1.00 0.00 C ATOM 449 CG PHE A 30 -3.960 -4.610 -3.486 1.00 0.00 C ATOM 450 CD1 PHE A 30 -2.620 -4.571 -3.121 1.00 0.00 C ATOM 451 CD2 PHE A 30 -4.823 -3.728 -2.879 1.00 0.00 C ATOM 452 CE1 PHE A 30 -2.168 -3.681 -2.172 1.00 0.00 C ATOM 453 CE2 PHE A 30 -4.376 -2.831 -1.928 1.00 0.00 C ATOM 454 CZ PHE A 30 -3.050 -2.809 -1.573 1.00 0.00 C ATOM 0 H PHE A 30 -6.584 -6.452 -3.726 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.365 -7.569 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.737 -5.511 -5.394 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.396 -5.164 -4.947 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.922 -5.249 -3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.868 -3.737 -3.150 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.123 -3.667 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.070 -2.147 -1.463 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.700 -2.111 -0.827 1.00 0.00 H new ATOM 464 N LEU A 31 -4.373 -7.576 -1.983 1.00 0.00 N ATOM 465 CA LEU A 31 -3.748 -8.202 -0.904 1.00 0.00 C ATOM 466 C LEU A 31 -3.910 -9.706 -1.039 1.00 0.00 C ATOM 467 O LEU A 31 -2.935 -10.385 -1.219 1.00 0.00 O ATOM 468 CB LEU A 31 -4.251 -7.608 0.418 1.00 0.00 C ATOM 469 CG LEU A 31 -3.884 -6.166 0.677 1.00 0.00 C ATOM 470 CD1 LEU A 31 -4.258 -5.760 2.077 1.00 0.00 C ATOM 471 CD2 LEU A 31 -2.434 -5.902 0.341 1.00 0.00 C ATOM 0 H LEU A 31 -5.274 -7.149 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.674 -8.014 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.337 -7.696 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.863 -8.214 1.237 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.466 -5.531 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.984 -4.718 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.333 -5.878 2.215 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.729 -6.390 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.200 -4.856 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.797 -6.538 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.259 -6.121 -0.712 1.00 0.00 H new ATOM 483 N GLY A 32 -5.145 -10.178 -1.112 1.00 0.00 N ATOM 484 CA GLY A 32 -5.468 -11.608 -1.173 1.00 0.00 C ATOM 485 C GLY A 32 -4.769 -12.437 -2.266 1.00 0.00 C ATOM 486 O GLY A 32 -4.201 -13.495 -1.971 1.00 0.00 O ATOM 0 H GLY A 32 -5.968 -9.575 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.228 -12.051 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.545 -11.706 -1.310 1.00 0.00 H new ATOM 490 N GLU A 33 -4.794 -12.002 -3.522 1.00 0.00 N ATOM 491 CA GLU A 33 -4.184 -12.818 -4.581 1.00 0.00 C ATOM 492 C GLU A 33 -2.675 -12.649 -4.627 1.00 0.00 C ATOM 493 O GLU A 33 -1.945 -13.577 -4.965 1.00 0.00 O ATOM 494 CB GLU A 33 -4.846 -12.628 -5.943 1.00 0.00 C ATOM 495 CG GLU A 33 -4.873 -11.210 -6.459 1.00 0.00 C ATOM 496 CD GLU A 33 -5.648 -11.106 -7.739 1.00 0.00 C ATOM 497 OE1 GLU A 33 -6.895 -10.995 -7.686 1.00 0.00 O ATOM 498 OE2 GLU A 33 -5.037 -11.138 -8.822 1.00 0.00 O ATOM 0 H GLU A 33 -5.212 -11.124 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.374 -13.858 -4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.326 -13.251 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.871 -12.994 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.318 -10.557 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.853 -10.861 -6.620 1.00 0.00 H new ATOM 505 N MET A 34 -2.223 -11.464 -4.276 1.00 0.00 N ATOM 506 CA MET A 34 -0.783 -11.320 -4.110 1.00 0.00 C ATOM 507 C MET A 34 -0.327 -12.263 -3.010 1.00 0.00 C ATOM 508 O MET A 34 0.595 -13.057 -3.184 1.00 0.00 O ATOM 509 CB MET A 34 -0.444 -9.946 -3.682 1.00 0.00 C ATOM 510 CG MET A 34 -0.478 -8.879 -4.791 1.00 0.00 C ATOM 511 SD MET A 34 0.270 -9.361 -6.376 1.00 0.00 S ATOM 512 CE MET A 34 -1.102 -10.168 -7.212 1.00 0.00 C ATOM 0 H MET A 34 -2.786 -10.630 -4.107 1.00 0.00 H new ATOM 0 HA MET A 34 -0.298 -11.542 -5.061 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.136 -9.648 -2.894 1.00 0.00 H new ATOM 0 HB3 MET A 34 0.553 -9.957 -3.243 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.517 -8.602 -4.970 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.032 -7.987 -4.427 1.00 0.00 H new ATOM 0 HE1 MET A 34 -0.936 -10.145 -8.289 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.173 -11.203 -6.878 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.029 -9.646 -6.976 1.00 0.00 H new ATOM 522 N ASP A 35 -1.094 -12.246 -1.929 1.00 0.00 N ATOM 523 CA ASP A 35 -0.919 -13.056 -0.729 1.00 0.00 C ATOM 524 C ASP A 35 -1.004 -14.544 -1.074 1.00 0.00 C ATOM 525 O ASP A 35 -0.466 -15.404 -0.365 1.00 0.00 O ATOM 526 CB ASP A 35 -2.015 -12.639 0.278 1.00 0.00 C ATOM 527 CG ASP A 35 -2.070 -13.453 1.560 1.00 0.00 C ATOM 528 OD1 ASP A 35 -1.032 -13.619 2.228 1.00 0.00 O ATOM 529 OD2 ASP A 35 -3.166 -13.949 1.922 1.00 0.00 O ATOM 0 H ASP A 35 -1.904 -11.630 -1.861 1.00 0.00 H new ATOM 0 HA ASP A 35 0.064 -12.892 -0.288 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.864 -11.592 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.984 -12.707 -0.217 1.00 0.00 H new ATOM 534 N SER A 36 -1.644 -14.835 -2.202 1.00 0.00 N ATOM 535 CA SER A 36 -1.738 -16.197 -2.670 1.00 0.00 C ATOM 536 C SER A 36 -0.368 -16.753 -2.965 1.00 0.00 C ATOM 537 O SER A 36 -0.002 -17.864 -2.574 1.00 0.00 O ATOM 538 CB SER A 36 -2.549 -16.312 -3.926 1.00 0.00 C ATOM 539 OG SER A 36 -3.865 -15.785 -3.752 1.00 0.00 O ATOM 0 H SER A 36 -2.100 -14.145 -2.800 1.00 0.00 H new ATOM 0 HA SER A 36 -2.225 -16.758 -1.872 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.047 -15.780 -4.734 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.612 -17.358 -4.225 1.00 0.00 H new ATOM 0 HG SER A 36 -3.860 -15.124 -3.029 1.00 0.00 H new ATOM 545 N TYR A 37 0.399 -15.933 -3.629 1.00 0.00 N ATOM 546 CA TYR A 37 1.736 -16.284 -4.035 1.00 0.00 C ATOM 547 C TYR A 37 2.658 -16.323 -2.870 1.00 0.00 C ATOM 548 O TYR A 37 3.715 -16.883 -2.908 1.00 0.00 O ATOM 549 CB TYR A 37 2.195 -15.325 -5.099 1.00 0.00 C ATOM 550 CG TYR A 37 1.308 -15.495 -6.270 1.00 0.00 C ATOM 551 CD1 TYR A 37 1.349 -16.672 -6.962 1.00 0.00 C ATOM 552 CD2 TYR A 37 0.385 -14.546 -6.630 1.00 0.00 C ATOM 553 CE1 TYR A 37 0.538 -16.935 -7.992 1.00 0.00 C ATOM 554 CE2 TYR A 37 -0.477 -14.783 -7.686 1.00 0.00 C ATOM 555 CZ TYR A 37 -0.394 -15.991 -8.373 1.00 0.00 C ATOM 556 OH TYR A 37 -1.236 -16.243 -9.434 1.00 0.00 O ATOM 0 H TYR A 37 0.113 -14.994 -3.907 1.00 0.00 H new ATOM 0 HA TYR A 37 1.739 -17.289 -4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.153 -14.299 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.231 -15.524 -5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.067 -17.422 -6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.331 -13.613 -6.089 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.611 -17.875 -8.519 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.206 -14.040 -7.974 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.831 -15.476 -9.569 1.00 0.00 H new ATOM 566 N ILE A 38 2.230 -15.748 -1.839 1.00 0.00 N ATOM 567 CA ILE A 38 2.975 -15.777 -0.627 1.00 0.00 C ATOM 568 C ILE A 38 2.743 -17.085 0.068 1.00 0.00 C ATOM 569 O ILE A 38 3.675 -17.724 0.538 1.00 0.00 O ATOM 570 CB ILE A 38 2.707 -14.517 0.214 1.00 0.00 C ATOM 571 CG1 ILE A 38 3.567 -13.396 -0.361 1.00 0.00 C ATOM 572 CG2 ILE A 38 2.996 -14.722 1.692 1.00 0.00 C ATOM 573 CD1 ILE A 38 3.336 -13.068 -1.812 1.00 0.00 C ATOM 0 H ILE A 38 1.350 -15.235 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 38 4.046 -15.736 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 38 1.648 -14.267 0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.395 -12.494 0.227 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.615 -13.666 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.789 -13.800 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.363 -15.521 2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.044 -14.993 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.001 -12.258 -2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.539 -13.949 -2.421 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.300 -12.759 -1.955 1.00 0.00 H new ATOM 585 N GLY A 39 1.514 -17.537 0.038 1.00 0.00 N ATOM 586 CA GLY A 39 1.213 -18.838 0.545 1.00 0.00 C ATOM 587 C GLY A 39 1.938 -19.901 -0.269 1.00 0.00 C ATOM 588 O GLY A 39 2.788 -20.606 0.250 1.00 0.00 O ATOM 0 H GLY A 39 0.715 -17.021 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.510 -18.906 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.138 -19.011 0.507 1.00 0.00 H new ATOM 592 N THR A 40 1.705 -19.892 -1.565 1.00 0.00 N ATOM 593 CA THR A 40 2.188 -20.909 -2.436 1.00 0.00 C ATOM 594 C THR A 40 3.615 -20.641 -2.898 1.00 0.00 C ATOM 595 O THR A 40 4.496 -21.435 -2.619 1.00 0.00 O ATOM 596 CB THR A 40 1.233 -21.053 -3.636 1.00 0.00 C ATOM 597 OG1 THR A 40 -0.090 -21.295 -3.138 1.00 0.00 O ATOM 598 CG2 THR A 40 1.642 -22.198 -4.542 1.00 0.00 C ATOM 0 H THR A 40 1.167 -19.164 -2.035 1.00 0.00 H new ATOM 0 HA THR A 40 2.215 -21.847 -1.882 1.00 0.00 H new ATOM 0 HB THR A 40 1.269 -20.134 -4.221 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.711 -21.387 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.945 -22.268 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.648 -22.019 -4.923 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.628 -23.131 -3.978 1.00 0.00 H new ATOM 606 N LEU A 41 3.871 -19.514 -3.561 1.00 0.00 N ATOM 607 CA LEU A 41 5.186 -19.267 -4.137 1.00 0.00 C ATOM 608 C LEU A 41 6.279 -19.011 -3.106 1.00 0.00 C ATOM 609 O LEU A 41 7.432 -19.131 -3.422 1.00 0.00 O ATOM 610 CB LEU A 41 5.194 -18.097 -5.070 1.00 0.00 C ATOM 611 CG LEU A 41 4.246 -18.084 -6.196 1.00 0.00 C ATOM 612 CD1 LEU A 41 4.695 -17.113 -7.277 1.00 0.00 C ATOM 613 CD2 LEU A 41 3.872 -19.461 -6.709 1.00 0.00 C ATOM 0 H LEU A 41 3.192 -18.767 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 41 5.400 -20.194 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.015 -17.200 -4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.199 -18.011 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 41 3.301 -17.704 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.977 -17.124 -8.097 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.756 -16.108 -6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.675 -17.411 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.171 -19.362 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.769 -19.977 -7.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.408 -20.034 -5.907 1.00 0.00 H new ATOM 625 N THR A 42 5.922 -18.650 -1.898 1.00 0.00 N ATOM 626 CA THR A 42 6.946 -18.457 -0.883 1.00 0.00 C ATOM 627 C THR A 42 7.279 -19.764 -0.228 1.00 0.00 C ATOM 628 O THR A 42 8.430 -20.081 0.073 1.00 0.00 O ATOM 629 CB THR A 42 6.464 -17.452 0.121 1.00 0.00 C ATOM 630 OG1 THR A 42 6.143 -16.254 -0.578 1.00 0.00 O ATOM 631 CG2 THR A 42 7.486 -17.207 1.222 1.00 0.00 C ATOM 0 H THR A 42 4.963 -18.486 -1.592 1.00 0.00 H new ATOM 0 HA THR A 42 7.857 -18.078 -1.346 1.00 0.00 H new ATOM 0 HB THR A 42 5.578 -17.836 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.544 -16.279 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.094 -16.473 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.687 -18.141 1.747 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.410 -16.832 0.783 1.00 0.00 H new ATOM 639 N GLU A 43 6.247 -20.528 -0.067 1.00 0.00 N ATOM 640 CA GLU A 43 6.363 -21.928 0.347 1.00 0.00 C ATOM 641 C GLU A 43 7.197 -22.697 -0.701 1.00 0.00 C ATOM 642 O GLU A 43 7.743 -23.770 -0.436 1.00 0.00 O ATOM 643 CB GLU A 43 4.964 -22.524 0.441 1.00 0.00 C ATOM 644 CG GLU A 43 4.870 -23.986 0.799 1.00 0.00 C ATOM 645 CD GLU A 43 3.432 -24.441 0.826 1.00 0.00 C ATOM 646 OE1 GLU A 43 2.774 -24.305 1.877 1.00 0.00 O ATOM 647 OE2 GLU A 43 2.919 -24.898 -0.218 1.00 0.00 O ATOM 0 H GLU A 43 5.287 -20.217 -0.214 1.00 0.00 H new ATOM 0 HA GLU A 43 6.856 -22.000 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.402 -21.956 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.467 -22.376 -0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.430 -24.579 0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.328 -24.156 1.773 1.00 0.00 H new ATOM 654 N LEU A 44 7.311 -22.109 -1.882 1.00 0.00 N ATOM 655 CA LEU A 44 7.996 -22.696 -2.980 1.00 0.00 C ATOM 656 C LEU A 44 9.338 -22.013 -3.258 1.00 0.00 C ATOM 657 O LEU A 44 10.251 -22.650 -3.788 1.00 0.00 O ATOM 658 CB LEU A 44 7.073 -22.619 -4.198 1.00 0.00 C ATOM 659 CG LEU A 44 5.919 -23.613 -4.243 1.00 0.00 C ATOM 660 CD1 LEU A 44 5.128 -23.423 -5.516 1.00 0.00 C ATOM 661 CD2 LEU A 44 6.415 -25.044 -4.124 1.00 0.00 C ATOM 0 H LEU A 44 6.915 -21.192 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 44 8.234 -23.734 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.658 -21.612 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.678 -22.759 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 44 5.268 -23.423 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.304 -24.136 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.731 -22.409 -5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.778 -23.587 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.567 -25.727 -4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.093 -25.264 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.942 -25.169 -3.178 1.00 0.00 H new ATOM 673 N GLN A 45 9.477 -20.751 -2.844 1.00 0.00 N ATOM 674 CA GLN A 45 10.636 -19.924 -3.177 1.00 0.00 C ATOM 675 C GLN A 45 10.508 -18.517 -2.605 1.00 0.00 C ATOM 676 O GLN A 45 9.712 -18.255 -1.730 1.00 0.00 O ATOM 677 CB GLN A 45 10.811 -19.873 -4.693 1.00 0.00 C ATOM 678 CG GLN A 45 9.737 -19.139 -5.467 1.00 0.00 C ATOM 679 CD GLN A 45 10.074 -19.080 -6.941 1.00 0.00 C ATOM 680 OE1 GLN A 45 10.742 -18.143 -7.389 1.00 0.00 O ATOM 681 NE2 GLN A 45 9.634 -20.050 -7.708 1.00 0.00 N ATOM 0 H GLN A 45 8.785 -20.274 -2.266 1.00 0.00 H new ATOM 0 HA GLN A 45 11.519 -20.377 -2.725 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.771 -19.405 -4.911 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.863 -20.896 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.779 -19.639 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.628 -18.128 -5.075 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.085 -20.809 -7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.841 -20.045 -8.707 1.00 0.00 H new ATOM 690 N GLY A 46 11.332 -17.636 -3.098 1.00 0.00 N ATOM 691 CA GLY A 46 11.353 -16.287 -2.621 1.00 0.00 C ATOM 692 C GLY A 46 10.531 -15.380 -3.464 1.00 0.00 C ATOM 693 O GLY A 46 10.828 -14.233 -3.537 1.00 0.00 O ATOM 0 H GLY A 46 12.005 -17.834 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.984 -16.260 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.382 -15.927 -2.599 1.00 0.00 H new ATOM 697 N SER A 47 9.555 -15.945 -4.162 1.00 0.00 N ATOM 698 CA SER A 47 8.635 -15.213 -4.983 1.00 0.00 C ATOM 699 C SER A 47 8.117 -13.914 -4.369 1.00 0.00 C ATOM 700 O SER A 47 7.704 -13.047 -5.102 1.00 0.00 O ATOM 701 CB SER A 47 7.546 -16.125 -5.364 1.00 0.00 C ATOM 702 OG SER A 47 7.903 -16.928 -6.465 1.00 0.00 O ATOM 0 H SER A 47 9.388 -16.951 -4.164 1.00 0.00 H new ATOM 0 HA SER A 47 9.175 -14.868 -5.865 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.290 -16.761 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.655 -15.547 -5.609 1.00 0.00 H new ATOM 0 HG SER A 47 7.649 -16.475 -7.296 1.00 0.00 H new ATOM 708 N GLU A 48 7.900 -13.913 -3.063 1.00 0.00 N ATOM 709 CA GLU A 48 7.753 -12.627 -2.298 1.00 0.00 C ATOM 710 C GLU A 48 8.553 -11.464 -2.990 1.00 0.00 C ATOM 711 O GLU A 48 8.094 -10.334 -3.095 1.00 0.00 O ATOM 712 CB GLU A 48 8.478 -12.805 -0.983 1.00 0.00 C ATOM 713 CG GLU A 48 7.970 -13.895 -0.104 1.00 0.00 C ATOM 714 CD GLU A 48 6.692 -13.530 0.585 1.00 0.00 C ATOM 715 OE1 GLU A 48 6.228 -12.398 0.411 1.00 0.00 O ATOM 716 OE2 GLU A 48 6.157 -14.389 1.335 1.00 0.00 O ATOM 0 H GLU A 48 7.819 -14.757 -2.495 1.00 0.00 H new ATOM 0 HA GLU A 48 6.690 -12.399 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.531 -12.994 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.427 -11.866 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.813 -14.794 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.726 -14.136 0.644 1.00 0.00 H new ATOM 723 N GLN A 49 9.778 -11.791 -3.428 1.00 0.00 N ATOM 724 CA GLN A 49 10.700 -10.925 -4.161 1.00 0.00 C ATOM 725 C GLN A 49 9.991 -10.332 -5.381 1.00 0.00 C ATOM 726 O GLN A 49 10.082 -9.139 -5.651 1.00 0.00 O ATOM 727 CB GLN A 49 11.934 -11.777 -4.571 1.00 0.00 C ATOM 728 CG GLN A 49 13.076 -11.018 -5.227 1.00 0.00 C ATOM 729 CD GLN A 49 13.199 -11.193 -6.738 1.00 0.00 C ATOM 730 OE1 GLN A 49 12.121 -11.488 -7.425 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 14.299 -11.088 -7.289 1.00 0.00 N flip ATOM 0 H GLN A 49 10.169 -12.720 -3.269 1.00 0.00 H new ATOM 0 HA GLN A 49 11.032 -10.092 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 49 12.319 -12.276 -3.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.601 -12.557 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.955 -9.957 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.011 -11.333 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.126 -10.858 -6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.381 -11.231 -8.296 1.00 0.00 H new ATOM 740 N LEU A 50 9.291 -11.190 -6.121 1.00 0.00 N ATOM 741 CA LEU A 50 8.479 -10.806 -7.214 1.00 0.00 C ATOM 742 C LEU A 50 7.348 -9.989 -6.681 1.00 0.00 C ATOM 743 O LEU A 50 7.037 -8.949 -7.250 1.00 0.00 O ATOM 744 CB LEU A 50 7.954 -12.046 -7.951 1.00 0.00 C ATOM 745 CG LEU A 50 7.291 -11.828 -9.318 1.00 0.00 C ATOM 746 CD1 LEU A 50 8.304 -11.398 -10.367 1.00 0.00 C ATOM 747 CD2 LEU A 50 6.541 -13.073 -9.762 1.00 0.00 C ATOM 0 H LEU A 50 9.291 -12.196 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 50 9.057 -10.220 -7.929 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.788 -12.735 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.233 -12.543 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 50 6.569 -11.018 -9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.799 -11.253 -11.322 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.773 -10.464 -10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.067 -12.169 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.080 -12.893 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.237 -13.909 -9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.768 -13.312 -9.032 1.00 0.00 H new ATOM 759 N LEU A 51 6.808 -10.390 -5.513 1.00 0.00 N ATOM 760 CA LEU A 51 5.637 -9.744 -4.952 1.00 0.00 C ATOM 761 C LEU A 51 5.889 -8.289 -4.669 1.00 0.00 C ATOM 762 O LEU A 51 4.987 -7.500 -4.648 1.00 0.00 O ATOM 763 CB LEU A 51 5.109 -10.360 -3.678 1.00 0.00 C ATOM 764 CG LEU A 51 3.680 -9.927 -3.465 1.00 0.00 C ATOM 765 CD1 LEU A 51 2.773 -10.831 -4.270 1.00 0.00 C ATOM 766 CD2 LEU A 51 3.293 -9.776 -1.995 1.00 0.00 C ATOM 0 H LEU A 51 7.174 -11.159 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 51 4.884 -9.882 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.166 -11.447 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.723 -10.053 -2.831 1.00 0.00 H new ATOM 0 HG LEU A 51 3.558 -8.910 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.736 -10.529 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.029 -10.755 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.900 -11.862 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.252 -9.462 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.420 -10.731 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.931 -9.027 -1.526 1.00 0.00 H new ATOM 778 N TYR A 52 7.111 -7.924 -4.594 1.00 0.00 N ATOM 779 CA TYR A 52 7.540 -6.607 -4.324 1.00 0.00 C ATOM 780 C TYR A 52 7.374 -5.759 -5.561 1.00 0.00 C ATOM 781 O TYR A 52 6.705 -4.755 -5.541 1.00 0.00 O ATOM 782 CB TYR A 52 8.981 -6.759 -3.970 1.00 0.00 C ATOM 783 CG TYR A 52 9.813 -5.490 -4.046 1.00 0.00 C ATOM 784 CD1 TYR A 52 9.719 -4.471 -3.096 1.00 0.00 C ATOM 785 CD2 TYR A 52 10.707 -5.326 -5.099 1.00 0.00 C ATOM 786 CE1 TYR A 52 10.505 -3.332 -3.206 1.00 0.00 C ATOM 787 CE2 TYR A 52 11.490 -4.199 -5.209 1.00 0.00 C ATOM 788 CZ TYR A 52 11.390 -3.206 -4.263 1.00 0.00 C ATOM 789 OH TYR A 52 12.176 -2.075 -4.374 1.00 0.00 O ATOM 0 H TYR A 52 7.885 -8.575 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 52 6.973 -6.121 -3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.048 -7.156 -2.957 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.423 -7.502 -4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 52 9.030 -4.570 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.789 -6.100 -5.847 1.00 0.00 H new ATOM 0 HE1 TYR A 52 10.426 -2.546 -2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 52 12.179 -4.095 -6.034 1.00 0.00 H new ATOM 0 HH TYR A 52 12.742 -2.147 -5.171 1.00 0.00 H new ATOM 799 N LEU A 53 7.918 -6.248 -6.650 1.00 0.00 N ATOM 800 CA LEU A 53 7.802 -5.446 -7.851 1.00 0.00 C ATOM 801 C LEU A 53 6.393 -5.492 -8.351 1.00 0.00 C ATOM 802 O LEU A 53 5.855 -4.495 -8.809 1.00 0.00 O ATOM 803 CB LEU A 53 8.799 -5.769 -8.976 1.00 0.00 C ATOM 804 CG LEU A 53 8.793 -7.187 -9.541 1.00 0.00 C ATOM 805 CD1 LEU A 53 9.241 -7.182 -10.986 1.00 0.00 C ATOM 806 CD2 LEU A 53 9.726 -8.059 -8.736 1.00 0.00 C ATOM 0 H LEU A 53 8.414 -7.135 -6.736 1.00 0.00 H new ATOM 0 HA LEU A 53 8.074 -4.434 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.612 -5.079 -9.799 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.803 -5.559 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 53 7.778 -7.579 -9.484 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.231 -8.201 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.564 -6.563 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.251 -6.778 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.719 -9.071 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.737 -7.654 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.396 -8.083 -7.697 1.00 0.00 H new ATOM 818 N LYS A 54 5.769 -6.636 -8.237 1.00 0.00 N ATOM 819 CA LYS A 54 4.423 -6.691 -8.686 1.00 0.00 C ATOM 820 C LYS A 54 3.328 -6.175 -7.789 1.00 0.00 C ATOM 821 O LYS A 54 2.439 -5.546 -8.272 1.00 0.00 O ATOM 822 CB LYS A 54 4.036 -7.812 -9.645 1.00 0.00 C ATOM 823 CG LYS A 54 4.835 -9.089 -9.502 1.00 0.00 C ATOM 824 CD LYS A 54 4.521 -9.842 -8.238 1.00 0.00 C ATOM 825 CE LYS A 54 3.079 -10.023 -7.947 1.00 0.00 C ATOM 826 NZ LYS A 54 2.365 -10.799 -8.981 1.00 0.00 N ATOM 0 H LYS A 54 6.157 -7.498 -7.855 1.00 0.00 H new ATOM 0 HA LYS A 54 4.501 -5.842 -9.365 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.981 -8.045 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.144 -7.448 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.638 -9.732 -10.360 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.898 -8.850 -9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.989 -10.825 -8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.980 -9.318 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.970 -10.526 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.610 -9.044 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.363 -10.889 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.440 -10.310 -9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.789 -11.746 -9.059 1.00 0.00 H new ATOM 840 N GLU A 55 3.410 -6.372 -6.511 1.00 0.00 N ATOM 841 CA GLU A 55 2.287 -5.838 -5.750 1.00 0.00 C ATOM 842 C GLU A 55 2.404 -4.333 -5.670 1.00 0.00 C ATOM 843 O GLU A 55 1.469 -3.618 -5.992 1.00 0.00 O ATOM 844 CB GLU A 55 2.084 -6.491 -4.357 1.00 0.00 C ATOM 845 CG GLU A 55 2.849 -5.904 -3.176 1.00 0.00 C ATOM 846 CD GLU A 55 1.974 -4.972 -2.344 1.00 0.00 C ATOM 847 OE1 GLU A 55 1.774 -3.817 -2.752 1.00 0.00 O ATOM 848 OE2 GLU A 55 1.466 -5.409 -1.294 1.00 0.00 O ATOM 0 H GLU A 55 4.153 -6.846 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 55 1.379 -6.102 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.021 -6.450 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.352 -7.544 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.222 -6.712 -2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.718 -5.357 -3.541 1.00 0.00 H new ATOM 855 N ILE A 56 3.593 -3.872 -5.365 1.00 0.00 N ATOM 856 CA ILE A 56 3.700 -2.457 -5.047 1.00 0.00 C ATOM 857 C ILE A 56 3.657 -1.572 -6.283 1.00 0.00 C ATOM 858 O ILE A 56 3.338 -0.400 -6.189 1.00 0.00 O ATOM 859 CB ILE A 56 4.912 -2.074 -4.165 1.00 0.00 C ATOM 860 CG1 ILE A 56 6.165 -1.941 -5.026 1.00 0.00 C ATOM 861 CG2 ILE A 56 5.134 -3.096 -3.050 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.430 -1.835 -4.237 1.00 0.00 C ATOM 0 H ILE A 56 4.457 -4.413 -5.329 1.00 0.00 H new ATOM 0 HA ILE A 56 2.811 -2.270 -4.445 1.00 0.00 H new ATOM 0 HB ILE A 56 4.700 -1.113 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.232 -2.804 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.068 -1.059 -5.659 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.993 -2.798 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.247 -3.143 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.321 -4.077 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.277 -1.743 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.385 -0.956 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.552 -2.728 -3.624 1.00 0.00 H new ATOM 874 N SER A 57 3.969 -2.123 -7.433 1.00 0.00 N ATOM 875 CA SER A 57 3.950 -1.330 -8.635 1.00 0.00 C ATOM 876 C SER A 57 2.649 -1.587 -9.374 1.00 0.00 C ATOM 877 O SER A 57 2.109 -0.709 -10.040 1.00 0.00 O ATOM 878 CB SER A 57 5.174 -1.637 -9.503 1.00 0.00 C ATOM 879 OG SER A 57 5.328 -0.700 -10.554 1.00 0.00 O ATOM 0 H SER A 57 4.234 -3.100 -7.559 1.00 0.00 H new ATOM 0 HA SER A 57 4.001 -0.271 -8.383 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.069 -1.635 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.079 -2.639 -9.922 1.00 0.00 H new ATOM 0 HG SER A 57 6.120 -0.929 -11.083 1.00 0.00 H new ATOM 885 N HIS A 58 2.149 -2.792 -9.251 1.00 0.00 N ATOM 886 CA HIS A 58 0.913 -3.137 -9.864 1.00 0.00 C ATOM 887 C HIS A 58 -0.270 -2.733 -9.016 1.00 0.00 C ATOM 888 O HIS A 58 -0.945 -1.771 -9.356 1.00 0.00 O ATOM 889 CB HIS A 58 0.908 -4.584 -10.418 1.00 0.00 C ATOM 890 CG HIS A 58 -0.352 -5.381 -10.253 1.00 0.00 C ATOM 891 ND1 HIS A 58 -0.492 -6.218 -9.181 1.00 0.00 N ATOM 892 CD2 HIS A 58 -1.467 -5.447 -11.019 1.00 0.00 C ATOM 893 CE1 HIS A 58 -1.669 -6.773 -9.295 1.00 0.00 C ATOM 894 NE2 HIS A 58 -2.306 -6.343 -10.396 1.00 0.00 N ATOM 0 H HIS A 58 2.591 -3.547 -8.726 1.00 0.00 H new ATOM 0 HA HIS A 58 0.796 -2.535 -10.765 1.00 0.00 H new ATOM 0 HB2 HIS A 58 1.141 -4.538 -11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.719 -5.132 -9.937 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.659 -4.906 -11.934 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.077 -7.486 -8.594 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -3.234 -6.626 -10.711 1.00 0.00 H new ATOM 902 N ALA A 59 -0.507 -3.326 -7.879 1.00 0.00 N ATOM 903 CA ALA A 59 -1.679 -3.190 -7.074 1.00 0.00 C ATOM 904 C ALA A 59 -1.576 -2.017 -6.158 1.00 0.00 C ATOM 905 O ALA A 59 -2.471 -1.167 -6.166 1.00 0.00 O ATOM 906 CB ALA A 59 -1.796 -4.446 -6.279 1.00 0.00 C ATOM 0 H ALA A 59 0.170 -3.966 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.554 -3.027 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.680 -4.393 -5.644 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.885 -5.297 -6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.909 -4.567 -5.657 1.00 0.00 H new ATOM 912 N LEU A 60 -0.512 -1.932 -5.376 1.00 0.00 N ATOM 913 CA LEU A 60 -0.351 -0.845 -4.454 1.00 0.00 C ATOM 914 C LEU A 60 -0.230 0.434 -5.209 1.00 0.00 C ATOM 915 O LEU A 60 -0.960 1.331 -4.958 1.00 0.00 O ATOM 916 CB LEU A 60 0.846 -1.058 -3.557 1.00 0.00 C ATOM 917 CG LEU A 60 0.868 -0.211 -2.298 1.00 0.00 C ATOM 918 CD1 LEU A 60 -0.362 -0.528 -1.437 1.00 0.00 C ATOM 919 CD2 LEU A 60 2.146 -0.459 -1.504 1.00 0.00 C ATOM 0 H LEU A 60 0.250 -2.611 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.231 -0.798 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.882 -2.109 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.750 -0.853 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 60 0.843 0.841 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.341 0.083 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.268 -0.310 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.352 -1.583 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.142 0.158 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.201 -1.510 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.010 -0.202 -2.116 1.00 0.00 H new ATOM 931 N LYS A 61 0.602 0.456 -6.215 1.00 0.00 N ATOM 932 CA LYS A 61 0.768 1.686 -6.985 1.00 0.00 C ATOM 933 C LYS A 61 -0.537 2.071 -7.721 1.00 0.00 C ATOM 934 O LYS A 61 -0.744 3.238 -8.056 1.00 0.00 O ATOM 935 CB LYS A 61 1.941 1.582 -7.945 1.00 0.00 C ATOM 936 CG LYS A 61 2.314 2.869 -8.664 1.00 0.00 C ATOM 937 CD LYS A 61 2.545 2.595 -10.132 1.00 0.00 C ATOM 938 CE LYS A 61 1.233 2.218 -10.803 1.00 0.00 C ATOM 939 NZ LYS A 61 0.319 3.380 -10.905 1.00 0.00 N ATOM 0 H LYS A 61 1.168 -0.334 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 61 0.992 2.488 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.811 1.230 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.710 0.823 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.519 3.605 -8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.213 3.296 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.969 3.477 -10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.269 1.789 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.433 1.823 -11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.749 1.422 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.384 3.205 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.168 3.519 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.866 4.233 -11.138 1.00 0.00 H new ATOM 953 N SER A 62 -1.461 1.124 -7.882 1.00 0.00 N ATOM 954 CA SER A 62 -2.745 1.410 -8.474 1.00 0.00 C ATOM 955 C SER A 62 -3.671 2.022 -7.455 1.00 0.00 C ATOM 956 O SER A 62 -4.132 3.178 -7.582 1.00 0.00 O ATOM 957 CB SER A 62 -3.346 0.148 -9.084 1.00 0.00 C ATOM 958 OG SER A 62 -2.711 -0.151 -10.314 1.00 0.00 O ATOM 0 H SER A 62 -1.332 0.151 -7.606 1.00 0.00 H new ATOM 0 HA SER A 62 -2.606 2.134 -9.277 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.231 -0.688 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.416 0.286 -9.243 1.00 0.00 H new ATOM 0 HG SER A 62 -1.976 -0.780 -10.158 1.00 0.00 H new ATOM 964 N SER A 63 -3.859 1.282 -6.415 1.00 0.00 N ATOM 965 CA SER A 63 -4.715 1.582 -5.357 1.00 0.00 C ATOM 966 C SER A 63 -4.224 2.825 -4.652 1.00 0.00 C ATOM 967 O SER A 63 -4.981 3.709 -4.424 1.00 0.00 O ATOM 968 CB SER A 63 -4.673 0.362 -4.454 1.00 0.00 C ATOM 969 OG SER A 63 -5.019 -0.795 -5.175 1.00 0.00 O ATOM 0 H SER A 63 -3.376 0.392 -6.290 1.00 0.00 H new ATOM 0 HA SER A 63 -5.736 1.789 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.675 0.249 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.360 0.496 -3.619 1.00 0.00 H new ATOM 0 HG SER A 63 -4.208 -1.208 -5.539 1.00 0.00 H new ATOM 975 N ALA A 64 -2.930 2.884 -4.394 1.00 0.00 N ATOM 976 CA ALA A 64 -2.324 3.998 -3.655 1.00 0.00 C ATOM 977 C ALA A 64 -2.476 5.307 -4.394 1.00 0.00 C ATOM 978 O ALA A 64 -2.764 6.301 -3.801 1.00 0.00 O ATOM 979 CB ALA A 64 -0.859 3.750 -3.357 1.00 0.00 C ATOM 0 H ALA A 64 -2.264 2.168 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.862 4.065 -2.710 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.450 4.599 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.758 2.847 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.313 3.625 -4.292 1.00 0.00 H new ATOM 985 N ALA A 65 -2.362 5.282 -5.700 1.00 0.00 N ATOM 986 CA ALA A 65 -2.465 6.478 -6.530 1.00 0.00 C ATOM 987 C ALA A 65 -3.864 7.059 -6.396 1.00 0.00 C ATOM 988 O ALA A 65 -4.110 8.236 -6.691 1.00 0.00 O ATOM 989 CB ALA A 65 -2.174 6.127 -7.981 1.00 0.00 C ATOM 0 H ALA A 65 -2.193 4.427 -6.230 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.736 7.218 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.253 7.024 -8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.166 5.719 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.894 5.386 -8.328 1.00 0.00 H new ATOM 995 N SER A 66 -4.780 6.203 -5.979 1.00 0.00 N ATOM 996 CA SER A 66 -6.109 6.616 -5.657 1.00 0.00 C ATOM 997 C SER A 66 -6.291 6.786 -4.127 1.00 0.00 C ATOM 998 O SER A 66 -6.649 7.862 -3.668 1.00 0.00 O ATOM 999 CB SER A 66 -7.101 5.591 -6.211 1.00 0.00 C ATOM 1000 OG SER A 66 -6.862 5.366 -7.594 1.00 0.00 O ATOM 0 H SER A 66 -4.610 5.204 -5.858 1.00 0.00 H new ATOM 0 HA SER A 66 -6.297 7.587 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.009 4.654 -5.663 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.121 5.947 -6.065 1.00 0.00 H new ATOM 0 HG SER A 66 -7.503 4.707 -7.934 1.00 0.00 H new ATOM 1006 N PHE A 67 -5.961 5.763 -3.323 1.00 0.00 N ATOM 1007 CA PHE A 67 -6.346 5.769 -1.889 1.00 0.00 C ATOM 1008 C PHE A 67 -5.261 6.286 -0.917 1.00 0.00 C ATOM 1009 O PHE A 67 -5.409 6.259 0.306 1.00 0.00 O ATOM 1010 CB PHE A 67 -6.885 4.381 -1.439 1.00 0.00 C ATOM 1011 CG PHE A 67 -5.938 3.189 -1.356 1.00 0.00 C ATOM 1012 CD1 PHE A 67 -4.582 3.320 -1.084 1.00 0.00 C ATOM 1013 CD2 PHE A 67 -6.446 1.915 -1.504 1.00 0.00 C ATOM 1014 CE1 PHE A 67 -3.764 2.215 -0.977 1.00 0.00 C ATOM 1015 CE2 PHE A 67 -5.637 0.802 -1.399 1.00 0.00 C ATOM 1016 CZ PHE A 67 -4.292 0.953 -1.136 1.00 0.00 C ATOM 0 H PHE A 67 -5.442 4.938 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.149 6.503 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.332 4.510 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.691 4.109 -2.121 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.161 4.306 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.499 1.786 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.712 2.339 -0.769 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.057 -0.185 -1.523 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.655 0.085 -1.055 1.00 0.00 H new ATOM 1026 N GLY A 68 -4.206 6.761 -1.470 1.00 0.00 N ATOM 1027 CA GLY A 68 -3.074 7.203 -0.687 1.00 0.00 C ATOM 1028 C GLY A 68 -2.129 7.906 -1.580 1.00 0.00 C ATOM 1029 O GLY A 68 -0.916 7.744 -1.488 1.00 0.00 O ATOM 0 H GLY A 68 -4.087 6.861 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.403 7.866 0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.585 6.351 -0.214 1.00 0.00 H new ATOM 1033 N ALA A 69 -2.741 8.745 -2.402 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.041 9.535 -3.430 1.00 0.00 C ATOM 1035 C ALA A 69 -1.178 10.633 -2.789 1.00 0.00 C ATOM 1036 O ALA A 69 -0.853 11.651 -3.399 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.075 10.179 -4.338 1.00 0.00 C ATOM 0 H ALA A 69 -3.748 8.905 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.388 8.873 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.570 10.767 -5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.676 9.403 -4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.722 10.829 -3.749 1.00 0.00 H new ATOM 1043 N ASP A 70 -0.800 10.390 -1.570 1.00 0.00 N ATOM 1044 CA ASP A 70 -0.108 11.284 -0.738 1.00 0.00 C ATOM 1045 C ASP A 70 1.154 10.493 -0.412 1.00 0.00 C ATOM 1046 O ASP A 70 1.700 9.830 -1.333 1.00 0.00 O ATOM 1047 CB ASP A 70 -0.988 11.546 0.470 1.00 0.00 C ATOM 1048 CG ASP A 70 -0.583 12.773 1.219 1.00 0.00 C ATOM 1049 OD1 ASP A 70 -0.867 13.890 0.741 1.00 0.00 O ATOM 1050 OD2 ASP A 70 0.002 12.642 2.285 1.00 0.00 O ATOM 0 H ASP A 70 -0.987 9.497 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 70 0.136 12.262 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.024 11.648 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -0.947 10.686 1.139 1.00 0.00 H new ATOM 1055 N ARG A 71 1.638 10.427 0.815 1.00 0.00 N ATOM 1056 CA ARG A 71 2.856 9.760 1.217 1.00 0.00 C ATOM 1057 C ARG A 71 2.985 8.332 0.799 1.00 0.00 C ATOM 1058 O ARG A 71 3.875 8.016 0.058 1.00 0.00 O ATOM 1059 CB ARG A 71 3.023 9.786 2.717 1.00 0.00 C ATOM 1060 CG ARG A 71 3.615 11.047 3.284 1.00 0.00 C ATOM 1061 CD ARG A 71 2.633 12.188 3.315 1.00 0.00 C ATOM 1062 NE ARG A 71 3.200 13.422 3.850 1.00 0.00 N ATOM 1063 CZ ARG A 71 2.576 14.601 3.838 1.00 0.00 C ATOM 1064 NH1 ARG A 71 1.375 14.715 3.280 1.00 0.00 N ATOM 1065 NH2 ARG A 71 3.153 15.657 4.394 1.00 0.00 N ATOM 0 H ARG A 71 1.160 10.865 1.602 1.00 0.00 H new ATOM 0 HA ARG A 71 3.626 10.330 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.047 9.626 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.654 8.947 3.009 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.972 10.853 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.482 11.335 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.268 12.372 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.771 11.901 3.918 1.00 0.00 H new ATOM 0 HE ARG A 71 4.133 13.380 4.259 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.928 13.900 2.860 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.900 15.618 3.272 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.071 15.566 4.829 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.679 16.560 4.387 1.00 0.00 H new ATOM 1079 N LEU A 72 2.094 7.481 1.252 1.00 0.00 N ATOM 1080 CA LEU A 72 2.293 6.036 1.063 1.00 0.00 C ATOM 1081 C LEU A 72 2.517 5.674 -0.413 1.00 0.00 C ATOM 1082 O LEU A 72 3.227 4.754 -0.735 1.00 0.00 O ATOM 1083 CB LEU A 72 1.165 5.222 1.735 1.00 0.00 C ATOM 1084 CG LEU A 72 -0.264 5.378 1.203 1.00 0.00 C ATOM 1085 CD1 LEU A 72 -0.482 4.547 -0.041 1.00 0.00 C ATOM 1086 CD2 LEU A 72 -1.265 5.006 2.265 1.00 0.00 C ATOM 0 H LEU A 72 1.239 7.741 1.744 1.00 0.00 H new ATOM 0 HA LEU A 72 3.215 5.754 1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.431 4.167 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.155 5.480 2.794 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.408 6.425 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.505 4.680 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.213 4.866 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.311 3.495 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.274 5.123 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.110 3.969 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.136 5.656 3.130 1.00 0.00 H new ATOM 1098 N CYS A 73 2.004 6.525 -1.263 1.00 0.00 N ATOM 1099 CA CYS A 73 2.121 6.192 -2.679 1.00 0.00 C ATOM 1100 C CYS A 73 3.565 6.344 -3.174 1.00 0.00 C ATOM 1101 O CYS A 73 4.181 5.381 -3.640 1.00 0.00 O ATOM 1102 CB CYS A 73 1.112 6.925 -3.575 1.00 0.00 C ATOM 1103 SG CYS A 73 1.274 6.580 -5.348 1.00 0.00 S ATOM 0 H CYS A 73 1.530 7.399 -1.035 1.00 0.00 H new ATOM 0 HA CYS A 73 1.854 5.139 -2.763 1.00 0.00 H new ATOM 0 HB2 CYS A 73 0.104 6.656 -3.258 1.00 0.00 H new ATOM 0 HB3 CYS A 73 1.220 7.998 -3.417 1.00 0.00 H new ATOM 0 HG CYS A 73 2.407 5.983 -5.572 1.00 0.00 H new ATOM 1109 N GLU A 74 4.172 7.478 -2.937 1.00 0.00 N ATOM 1110 CA GLU A 74 5.487 7.720 -3.536 1.00 0.00 C ATOM 1111 C GLU A 74 6.547 7.818 -2.469 1.00 0.00 C ATOM 1112 O GLU A 74 7.717 7.458 -2.664 1.00 0.00 O ATOM 1113 CB GLU A 74 5.420 8.977 -4.402 1.00 0.00 C ATOM 1114 CG GLU A 74 6.709 9.368 -5.108 1.00 0.00 C ATOM 1115 CD GLU A 74 7.227 8.323 -6.075 1.00 0.00 C ATOM 1116 OE1 GLU A 74 6.607 8.114 -7.136 1.00 0.00 O ATOM 1117 OE2 GLU A 74 8.299 7.746 -5.815 1.00 0.00 O ATOM 0 H GLU A 74 3.805 8.233 -2.357 1.00 0.00 H new ATOM 0 HA GLU A 74 5.763 6.881 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.645 8.835 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.105 9.811 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.546 10.299 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.475 9.566 -4.359 1.00 0.00 H new ATOM 1124 N ARG A 75 6.122 8.252 -1.319 1.00 0.00 N ATOM 1125 CA ARG A 75 6.996 8.354 -0.200 1.00 0.00 C ATOM 1126 C ARG A 75 7.274 6.926 0.266 1.00 0.00 C ATOM 1127 O ARG A 75 8.287 6.662 0.848 1.00 0.00 O ATOM 1128 CB ARG A 75 6.338 9.237 0.896 1.00 0.00 C ATOM 1129 CG ARG A 75 6.955 9.241 2.298 1.00 0.00 C ATOM 1130 CD ARG A 75 6.682 7.945 3.064 1.00 0.00 C ATOM 1131 NE ARG A 75 7.538 7.777 4.243 1.00 0.00 N ATOM 1132 CZ ARG A 75 8.303 6.689 4.478 1.00 0.00 C ATOM 1133 NH1 ARG A 75 8.444 5.752 3.532 1.00 0.00 N ATOM 1134 NH2 ARG A 75 8.970 6.582 5.621 1.00 0.00 N ATOM 0 H ARG A 75 5.162 8.543 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 75 7.941 8.838 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.331 10.265 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.298 8.926 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 75 8.032 9.391 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.558 10.084 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.638 7.929 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.828 7.098 2.394 1.00 0.00 H new ATOM 0 HE ARG A 75 7.557 8.531 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.974 5.860 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.022 4.931 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.904 7.321 6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.548 5.761 5.799 1.00 0.00 H new ATOM 1148 N ALA A 76 6.390 5.975 0.009 1.00 0.00 N ATOM 1149 CA ALA A 76 6.743 4.649 0.431 1.00 0.00 C ATOM 1150 C ALA A 76 7.598 4.048 -0.637 1.00 0.00 C ATOM 1151 O ALA A 76 8.741 3.792 -0.413 1.00 0.00 O ATOM 1152 CB ALA A 76 5.543 3.785 0.747 1.00 0.00 C ATOM 0 H ALA A 76 5.489 6.089 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 76 7.292 4.708 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.879 2.796 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.966 4.243 1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.918 3.692 -0.141 1.00 0.00 H new ATOM 1158 N ILE A 77 7.065 4.061 -1.832 1.00 0.00 N ATOM 1159 CA ILE A 77 7.727 3.318 -2.919 1.00 0.00 C ATOM 1160 C ILE A 77 9.252 3.550 -3.084 1.00 0.00 C ATOM 1161 O ILE A 77 10.062 2.580 -3.109 1.00 0.00 O ATOM 1162 CB ILE A 77 6.909 3.313 -4.235 1.00 0.00 C ATOM 1163 CG1 ILE A 77 5.724 2.327 -4.111 1.00 0.00 C ATOM 1164 CG2 ILE A 77 7.777 2.889 -5.417 1.00 0.00 C ATOM 1165 CD1 ILE A 77 4.920 2.461 -2.838 1.00 0.00 C ATOM 0 H ILE A 77 6.209 4.552 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 77 7.718 2.285 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 77 6.543 4.325 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.058 2.472 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.108 1.309 -4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.179 2.894 -6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.609 3.585 -5.526 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.164 1.885 -5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.111 1.730 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.567 2.284 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.501 3.465 -2.776 1.00 0.00 H new ATOM 1177 N ALA A 78 9.667 4.775 -2.873 1.00 0.00 N ATOM 1178 CA ALA A 78 11.023 5.174 -3.129 1.00 0.00 C ATOM 1179 C ALA A 78 11.776 5.203 -1.811 1.00 0.00 C ATOM 1180 O ALA A 78 12.942 4.783 -1.718 1.00 0.00 O ATOM 1181 CB ALA A 78 11.058 6.540 -3.794 1.00 0.00 C ATOM 0 H ALA A 78 9.070 5.522 -2.518 1.00 0.00 H new ATOM 0 HA ALA A 78 11.496 4.462 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.093 6.827 -3.981 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.516 6.499 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.590 7.275 -3.140 1.00 0.00 H new ATOM 1187 N ILE A 79 11.044 5.581 -0.765 1.00 0.00 N ATOM 1188 CA ILE A 79 11.615 5.838 0.534 1.00 0.00 C ATOM 1189 C ILE A 79 11.515 4.607 1.433 1.00 0.00 C ATOM 1190 O ILE A 79 12.150 4.514 2.521 1.00 0.00 O ATOM 1191 CB ILE A 79 10.967 7.077 1.152 1.00 0.00 C ATOM 1192 CG1 ILE A 79 10.992 8.193 0.100 1.00 0.00 C ATOM 1193 CG2 ILE A 79 11.647 7.520 2.450 1.00 0.00 C ATOM 1194 CD1 ILE A 79 10.517 9.538 0.582 1.00 0.00 C ATOM 0 H ILE A 79 10.034 5.715 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 79 12.679 6.047 0.423 1.00 0.00 H new ATOM 0 HB ILE A 79 9.941 6.838 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 79 12.011 8.297 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 79 10.374 7.888 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.143 8.404 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 79 11.591 6.715 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 79 12.692 7.757 2.251 1.00 0.00 H new ATOM 0 HD11 ILE A 79 10.573 10.258 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 79 9.486 9.458 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 79 11.148 9.873 1.405 1.00 0.00 H new ATOM 1206 N ASP A 80 11.090 3.534 0.824 1.00 0.00 N ATOM 1207 CA ASP A 80 10.988 2.266 1.396 1.00 0.00 C ATOM 1208 C ASP A 80 12.088 1.491 1.018 1.00 0.00 C ATOM 1209 O ASP A 80 12.900 1.202 1.899 1.00 0.00 O ATOM 1210 CB ASP A 80 9.641 1.553 1.155 1.00 0.00 C ATOM 1211 CG ASP A 80 8.542 2.030 2.109 1.00 0.00 C ATOM 1212 OD1 ASP A 80 8.667 3.129 2.718 1.00 0.00 O ATOM 1213 OD2 ASP A 80 7.603 1.268 2.387 1.00 0.00 O ATOM 0 H ASP A 80 10.791 3.549 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 80 11.005 2.405 2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.323 1.724 0.126 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.777 0.478 1.272 1.00 0.00 H new ATOM 1218 N LYS A 81 12.180 1.248 -0.306 1.00 0.00 N ATOM 1219 CA LYS A 81 13.250 0.445 -0.828 1.00 0.00 C ATOM 1220 C LYS A 81 14.536 0.892 -0.166 1.00 0.00 C ATOM 1221 O LYS A 81 15.100 0.144 0.662 1.00 0.00 O ATOM 1222 CB LYS A 81 13.221 0.442 -2.386 1.00 0.00 C ATOM 1223 CG LYS A 81 13.494 1.781 -3.080 1.00 0.00 C ATOM 1224 CD LYS A 81 13.163 1.749 -4.562 1.00 0.00 C ATOM 1225 CE LYS A 81 13.603 3.047 -5.223 1.00 0.00 C ATOM 1226 NZ LYS A 81 13.349 3.065 -6.677 1.00 0.00 N ATOM 0 H LYS A 81 11.526 1.600 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 81 13.144 -0.611 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 81 13.956 -0.281 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.243 0.085 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.907 2.562 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.544 2.045 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.661 0.903 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.091 1.606 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.079 3.882 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.667 3.198 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.668 3.972 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.869 2.287 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.331 2.949 -6.853 1.00 0.00 H new ATOM 1240 N LYS A 82 14.906 2.112 -0.475 1.00 0.00 N ATOM 1241 CA LYS A 82 15.920 2.885 0.169 1.00 0.00 C ATOM 1242 C LYS A 82 16.321 2.448 1.594 1.00 0.00 C ATOM 1243 O LYS A 82 17.283 1.668 1.767 1.00 0.00 O ATOM 1244 CB LYS A 82 15.536 4.368 -0.019 1.00 0.00 C ATOM 1245 CG LYS A 82 16.070 5.350 0.964 1.00 0.00 C ATOM 1246 CD LYS A 82 15.062 5.564 2.070 1.00 0.00 C ATOM 1247 CE LYS A 82 15.311 6.786 2.895 1.00 0.00 C ATOM 1248 NZ LYS A 82 16.678 6.857 3.471 1.00 0.00 N ATOM 0 H LYS A 82 14.467 2.621 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 82 16.880 2.697 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.863 4.676 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.448 4.437 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.010 4.988 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 82 16.285 6.296 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.066 5.631 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.064 4.691 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.141 7.669 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.584 6.819 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.615 6.941 4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.204 5.994 3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.174 7.686 3.086 1.00 0.00 H new ATOM 1262 N ALA A 83 15.551 2.680 2.605 1.00 0.00 N ATOM 1263 CA ALA A 83 16.125 2.449 3.884 1.00 0.00 C ATOM 1264 C ALA A 83 15.111 2.001 4.787 1.00 0.00 C ATOM 1265 O ALA A 83 15.429 1.446 5.767 1.00 0.00 O ATOM 1266 CB ALA A 83 16.833 3.663 4.433 1.00 0.00 C ATOM 0 H ALA A 83 14.585 3.008 2.579 1.00 0.00 H new ATOM 0 HA ALA A 83 16.886 1.677 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 83 17.252 3.428 5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.635 3.954 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.124 4.485 4.529 1.00 0.00 H new ATOM 1272 N LYS A 84 13.888 2.368 4.516 1.00 0.00 N ATOM 1273 CA LYS A 84 12.879 1.720 5.277 1.00 0.00 C ATOM 1274 C LYS A 84 13.085 0.182 5.139 1.00 0.00 C ATOM 1275 O LYS A 84 12.923 -0.554 6.110 1.00 0.00 O ATOM 1276 CB LYS A 84 11.509 2.181 4.822 1.00 0.00 C ATOM 1277 CG LYS A 84 10.602 1.073 4.304 1.00 0.00 C ATOM 1278 CD LYS A 84 9.781 0.405 5.391 1.00 0.00 C ATOM 1279 CE LYS A 84 8.793 1.394 5.986 1.00 0.00 C ATOM 1280 NZ LYS A 84 7.780 1.865 5.005 1.00 0.00 N ATOM 0 H LYS A 84 13.588 3.058 3.828 1.00 0.00 H new ATOM 0 HA LYS A 84 12.949 1.979 6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.013 2.678 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.634 2.926 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.928 1.487 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.211 0.319 3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.246 -0.451 4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.439 0.024 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.284 0.928 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.338 2.253 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.870 2.010 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.095 2.762 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.665 1.153 4.256 1.00 0.00 H new ATOM 1294 N ALA A 85 13.525 -0.307 3.958 1.00 0.00 N ATOM 1295 CA ALA A 85 13.757 -1.714 3.819 1.00 0.00 C ATOM 1296 C ALA A 85 15.159 -2.105 4.295 1.00 0.00 C ATOM 1297 O ALA A 85 15.313 -3.185 4.934 1.00 0.00 O ATOM 1298 CB ALA A 85 13.544 -2.134 2.378 1.00 0.00 C ATOM 0 H ALA A 85 13.714 0.252 3.126 1.00 0.00 H new ATOM 0 HA ALA A 85 13.042 -2.239 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 85 13.722 -3.205 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.520 -1.908 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 85 14.236 -1.591 1.735 1.00 0.00 H new ATOM 1304 N ASN A 86 16.192 -1.239 4.096 1.00 0.00 N ATOM 1305 CA ASN A 86 17.482 -1.601 4.696 1.00 0.00 C ATOM 1306 C ASN A 86 17.552 -1.425 6.204 1.00 0.00 C ATOM 1307 O ASN A 86 18.398 -2.040 6.856 1.00 0.00 O ATOM 1308 CB ASN A 86 18.694 -0.964 4.016 1.00 0.00 C ATOM 1309 CG ASN A 86 19.160 -1.703 2.764 1.00 0.00 C ATOM 1310 OD1 ASN A 86 18.988 -3.014 2.729 1.00 0.00 O flip ATOM 1311 ND2 ASN A 86 19.695 -1.101 1.835 1.00 0.00 N flip ATOM 0 H ASN A 86 16.158 -0.365 3.572 1.00 0.00 H new ATOM 0 HA ASN A 86 17.537 -2.673 4.505 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.450 0.064 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.518 -0.922 4.729 1.00 0.00 H new ATOM 0 HD21 ASN A 86 19.816 -0.090 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 86 20.017 -1.613 1.014 1.00 0.00 H new ATOM 1318 N GLN A 87 16.681 -0.611 6.767 1.00 0.00 N ATOM 1319 CA GLN A 87 16.692 -0.358 8.191 1.00 0.00 C ATOM 1320 C GLN A 87 16.059 -1.506 8.938 1.00 0.00 C ATOM 1321 O GLN A 87 16.489 -1.828 10.040 1.00 0.00 O ATOM 1322 CB GLN A 87 15.979 0.968 8.564 1.00 0.00 C ATOM 1323 CG GLN A 87 14.458 0.913 8.528 1.00 0.00 C ATOM 1324 CD GLN A 87 13.806 1.455 9.766 1.00 0.00 C ATOM 1325 OE1 GLN A 87 13.523 2.651 9.866 1.00 0.00 O ATOM 1326 NE2 GLN A 87 13.544 0.578 10.705 1.00 0.00 N ATOM 0 H GLN A 87 15.954 -0.112 6.255 1.00 0.00 H new ATOM 0 HA GLN A 87 17.737 -0.263 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 87 16.293 1.263 9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.316 1.748 7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.103 1.476 7.665 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.144 -0.121 8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.798 -0.401 10.574 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.086 0.875 11.567 1.00 0.00 H new ATOM 1335 N LEU A 88 15.019 -2.110 8.367 1.00 0.00 N ATOM 1336 CA LEU A 88 14.231 -3.189 8.902 1.00 0.00 C ATOM 1337 C LEU A 88 15.094 -4.395 9.213 1.00 0.00 C ATOM 1338 O LEU A 88 15.452 -4.661 10.358 1.00 0.00 O ATOM 1339 CB LEU A 88 13.186 -3.592 7.823 1.00 0.00 C ATOM 1340 CG LEU A 88 11.701 -3.396 8.118 1.00 0.00 C ATOM 1341 CD1 LEU A 88 11.240 -4.343 9.212 1.00 0.00 C ATOM 1342 CD2 LEU A 88 11.387 -1.954 8.497 1.00 0.00 C ATOM 0 H LEU A 88 14.689 -1.825 7.445 1.00 0.00 H new ATOM 0 HA LEU A 88 13.753 -2.861 9.825 1.00 0.00 H new ATOM 0 HB2 LEU A 88 13.417 -3.033 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 88 13.339 -4.647 7.595 1.00 0.00 H new ATOM 0 HG LEU A 88 11.155 -3.625 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.179 -4.186 9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.402 -5.373 8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.808 -4.151 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.321 -1.855 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.952 -1.681 9.388 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.663 -1.293 7.675 1.00 0.00 H new ATOM 1354 N GLN A 89 15.435 -5.101 8.171 1.00 0.00 N ATOM 1355 CA GLN A 89 16.095 -6.385 8.227 1.00 0.00 C ATOM 1356 C GLN A 89 17.567 -6.183 8.398 1.00 0.00 C ATOM 1357 O GLN A 89 18.147 -5.286 7.768 1.00 0.00 O ATOM 1358 CB GLN A 89 15.857 -7.087 6.905 1.00 0.00 C ATOM 1359 CG GLN A 89 14.562 -6.648 6.267 1.00 0.00 C ATOM 1360 CD GLN A 89 14.283 -7.296 4.955 1.00 0.00 C ATOM 1361 OE1 GLN A 89 13.731 -6.525 4.080 1.00 0.00 O flip ATOM 1362 NE2 GLN A 89 14.624 -8.439 4.703 1.00 0.00 N flip ATOM 0 H GLN A 89 15.255 -4.788 7.217 1.00 0.00 H new ATOM 0 HA GLN A 89 15.708 -6.971 9.060 1.00 0.00 H new ATOM 0 HB2 GLN A 89 16.685 -6.879 6.228 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.838 -8.165 7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.741 -6.865 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.585 -5.567 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.057 -9.013 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.476 -8.821 3.769 1.00 0.00 H new ATOM 1371 N GLU A 90 18.200 -7.035 9.188 1.00 0.00 N ATOM 1372 CA GLU A 90 19.632 -6.898 9.358 1.00 0.00 C ATOM 1373 C GLU A 90 20.262 -7.595 8.151 1.00 0.00 C ATOM 1374 O GLU A 90 21.437 -7.436 7.837 1.00 0.00 O ATOM 1375 CB GLU A 90 20.097 -7.622 10.618 1.00 0.00 C ATOM 1376 CG GLU A 90 19.397 -7.222 11.901 1.00 0.00 C ATOM 1377 CD GLU A 90 19.896 -8.026 13.075 1.00 0.00 C ATOM 1378 OE1 GLU A 90 19.470 -9.187 13.242 1.00 0.00 O ATOM 1379 OE2 GLU A 90 20.762 -7.532 13.828 1.00 0.00 O ATOM 0 H GLU A 90 17.764 -7.800 9.703 1.00 0.00 H new ATOM 0 HA GLU A 90 19.911 -5.847 9.441 1.00 0.00 H new ATOM 0 HB2 GLU A 90 19.961 -8.693 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 90 21.166 -7.450 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 90 19.559 -6.161 12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 90 18.322 -7.366 11.791 1.00 0.00 H new ATOM 1386 N GLN A 91 19.404 -8.349 7.466 1.00 0.00 N ATOM 1387 CA GLN A 91 19.774 -9.150 6.318 1.00 0.00 C ATOM 1388 C GLN A 91 19.882 -8.292 5.066 1.00 0.00 C ATOM 1389 O GLN A 91 20.339 -8.763 4.033 1.00 0.00 O ATOM 1390 CB GLN A 91 18.745 -10.265 6.096 1.00 0.00 C ATOM 1391 CG GLN A 91 18.534 -11.155 7.311 1.00 0.00 C ATOM 1392 CD GLN A 91 19.805 -11.838 7.779 1.00 0.00 C ATOM 1393 OE1 GLN A 91 20.693 -12.148 6.987 1.00 0.00 O ATOM 1394 NE2 GLN A 91 19.911 -12.067 9.069 1.00 0.00 N ATOM 0 H GLN A 91 18.415 -8.416 7.704 1.00 0.00 H new ATOM 0 HA GLN A 91 20.749 -9.594 6.517 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.792 -9.817 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 91 19.066 -10.882 5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.130 -10.556 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 91 17.788 -11.913 7.073 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.155 -11.797 9.699 1.00 0.00 H new ATOM 0 HE22 GLN A 91 20.749 -12.515 9.440 1.00 0.00 H new ATOM 1403 N GLY A 92 19.479 -7.027 5.157 1.00 0.00 N ATOM 1404 CA GLY A 92 19.613 -6.143 4.025 1.00 0.00 C ATOM 1405 C GLY A 92 18.568 -6.296 2.929 1.00 0.00 C ATOM 1406 O GLY A 92 18.930 -6.605 1.812 1.00 0.00 O ATOM 0 H GLY A 92 19.066 -6.606 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.583 -5.115 4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.598 -6.297 3.584 1.00 0.00 H new ATOM 1410 N MET A 93 17.292 -5.965 3.227 1.00 0.00 N ATOM 1411 CA MET A 93 16.161 -5.983 2.262 1.00 0.00 C ATOM 1412 C MET A 93 16.092 -7.240 1.390 1.00 0.00 C ATOM 1413 O MET A 93 16.633 -7.319 0.293 1.00 0.00 O ATOM 1414 CB MET A 93 15.851 -4.637 1.573 1.00 0.00 C ATOM 1415 CG MET A 93 16.857 -4.068 0.576 1.00 0.00 C ATOM 1416 SD MET A 93 16.764 -4.738 -1.107 1.00 0.00 S ATOM 1417 CE MET A 93 15.059 -4.375 -1.548 1.00 0.00 C ATOM 0 H MET A 93 17.010 -5.672 4.162 1.00 0.00 H new ATOM 0 HA MET A 93 15.278 -6.092 2.891 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.898 -4.744 1.054 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.706 -3.892 2.356 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.719 -2.988 0.525 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.861 -4.243 0.962 1.00 0.00 H new ATOM 0 HE1 MET A 93 14.974 -4.289 -2.631 1.00 0.00 H new ATOM 0 HE2 MET A 93 14.413 -5.179 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.755 -3.436 -1.085 1.00 0.00 H new ATOM 1427 N GLU A 94 15.406 -8.231 1.920 1.00 0.00 N ATOM 1428 CA GLU A 94 15.457 -9.577 1.397 1.00 0.00 C ATOM 1429 C GLU A 94 14.106 -10.263 1.346 1.00 0.00 C ATOM 1430 O GLU A 94 13.957 -11.255 0.624 1.00 0.00 O ATOM 1431 CB GLU A 94 16.316 -10.367 2.364 1.00 0.00 C ATOM 1432 CG GLU A 94 17.765 -9.999 2.357 1.00 0.00 C ATOM 1433 CD GLU A 94 18.467 -10.464 1.097 1.00 0.00 C ATOM 1434 OE1 GLU A 94 18.398 -11.677 0.788 1.00 0.00 O ATOM 1435 OE2 GLU A 94 19.055 -9.625 0.372 1.00 0.00 O ATOM 0 H GLU A 94 14.795 -8.123 2.730 1.00 0.00 H new ATOM 0 HA GLU A 94 15.837 -9.532 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.925 -10.229 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.223 -11.427 2.128 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.864 -8.917 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.254 -10.438 3.227 1.00 0.00 H new ATOM 1442 N THR A 95 13.114 -9.716 2.059 1.00 0.00 N ATOM 1443 CA THR A 95 11.855 -10.432 2.296 1.00 0.00 C ATOM 1444 C THR A 95 11.055 -9.797 3.456 1.00 0.00 C ATOM 1445 O THR A 95 9.855 -9.581 3.356 1.00 0.00 O ATOM 1446 CB THR A 95 12.069 -11.973 2.590 1.00 0.00 C ATOM 1447 OG1 THR A 95 10.825 -12.647 2.808 1.00 0.00 O ATOM 1448 CG2 THR A 95 12.992 -12.231 3.780 1.00 0.00 C ATOM 0 H THR A 95 13.158 -8.787 2.479 1.00 0.00 H new ATOM 0 HA THR A 95 11.287 -10.343 1.370 1.00 0.00 H new ATOM 0 HB THR A 95 12.549 -12.373 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.994 -13.596 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.099 -13.305 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 95 13.970 -11.793 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 95 12.566 -11.779 4.676 1.00 0.00 H new ATOM 1456 N SER A 96 11.715 -9.436 4.538 1.00 0.00 N ATOM 1457 CA SER A 96 10.995 -9.015 5.723 1.00 0.00 C ATOM 1458 C SER A 96 10.371 -7.630 5.578 1.00 0.00 C ATOM 1459 O SER A 96 9.564 -7.211 6.405 1.00 0.00 O ATOM 1460 CB SER A 96 11.904 -9.139 6.934 1.00 0.00 C ATOM 1461 OG SER A 96 12.410 -10.468 7.024 1.00 0.00 O ATOM 0 H SER A 96 12.731 -9.425 4.622 1.00 0.00 H new ATOM 0 HA SER A 96 10.143 -9.680 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 96 12.729 -8.431 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.354 -8.888 7.841 1.00 0.00 H new ATOM 0 HG SER A 96 12.997 -10.542 7.805 1.00 0.00 H new ATOM 1467 N GLU A 97 10.744 -6.941 4.522 1.00 0.00 N ATOM 1468 CA GLU A 97 10.138 -5.644 4.258 1.00 0.00 C ATOM 1469 C GLU A 97 8.868 -5.831 3.410 1.00 0.00 C ATOM 1470 O GLU A 97 7.838 -5.202 3.634 1.00 0.00 O ATOM 1471 CB GLU A 97 11.129 -4.699 3.553 1.00 0.00 C ATOM 1472 CG GLU A 97 11.338 -4.894 2.037 1.00 0.00 C ATOM 1473 CD GLU A 97 12.118 -6.138 1.695 1.00 0.00 C ATOM 1474 OE1 GLU A 97 11.693 -7.243 2.059 1.00 0.00 O ATOM 1475 OE2 GLU A 97 13.218 -6.024 1.188 1.00 0.00 O ATOM 0 H GLU A 97 11.445 -7.242 3.845 1.00 0.00 H new ATOM 0 HA GLU A 97 9.869 -5.185 5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.794 -3.675 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 97 12.098 -4.800 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.366 -4.938 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.859 -4.025 1.635 1.00 0.00 H new ATOM 1482 N MET A 98 8.970 -6.701 2.439 1.00 0.00 N ATOM 1483 CA MET A 98 7.910 -6.990 1.496 1.00 0.00 C ATOM 1484 C MET A 98 6.723 -7.731 2.152 1.00 0.00 C ATOM 1485 O MET A 98 5.584 -7.424 1.872 1.00 0.00 O ATOM 1486 CB MET A 98 8.493 -7.679 0.240 1.00 0.00 C ATOM 1487 CG MET A 98 9.157 -9.016 0.498 1.00 0.00 C ATOM 1488 SD MET A 98 10.178 -9.612 -0.868 1.00 0.00 S ATOM 1489 CE MET A 98 11.407 -8.323 -1.034 1.00 0.00 C ATOM 0 H MET A 98 9.816 -7.246 2.274 1.00 0.00 H new ATOM 0 HA MET A 98 7.470 -6.053 1.155 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.691 -7.822 -0.484 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.221 -7.010 -0.219 1.00 0.00 H new ATOM 0 HG2 MET A 98 9.776 -8.935 1.391 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.386 -9.757 0.711 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.071 -8.558 -1.866 1.00 0.00 H new ATOM 0 HE2 MET A 98 10.912 -7.371 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.988 -8.254 -0.114 1.00 0.00 H new ATOM 1499 N LEU A 99 6.983 -8.687 3.041 1.00 0.00 N ATOM 1500 CA LEU A 99 5.857 -9.326 3.784 1.00 0.00 C ATOM 1501 C LEU A 99 5.225 -8.321 4.744 1.00 0.00 C ATOM 1502 O LEU A 99 4.011 -8.371 5.064 1.00 0.00 O ATOM 1503 CB LEU A 99 6.312 -10.546 4.604 1.00 0.00 C ATOM 1504 CG LEU A 99 6.656 -11.835 3.853 1.00 0.00 C ATOM 1505 CD1 LEU A 99 7.802 -11.632 2.892 1.00 0.00 C ATOM 1506 CD2 LEU A 99 6.983 -12.940 4.836 1.00 0.00 C ATOM 0 H LEU A 99 7.913 -9.036 3.270 1.00 0.00 H new ATOM 0 HA LEU A 99 5.139 -9.657 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.190 -10.252 5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.524 -10.778 5.320 1.00 0.00 H new ATOM 0 HG LEU A 99 5.783 -12.122 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 99 8.016 -12.569 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.533 -10.870 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 99 8.686 -11.310 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.226 -13.852 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.836 -12.644 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.122 -13.121 5.480 1.00 0.00 H new ATOM 1518 N ALA A 100 6.076 -7.413 5.192 1.00 0.00 N ATOM 1519 CA ALA A 100 5.693 -6.376 6.120 1.00 0.00 C ATOM 1520 C ALA A 100 4.536 -5.592 5.581 1.00 0.00 C ATOM 1521 O ALA A 100 3.623 -5.296 6.330 1.00 0.00 O ATOM 1522 CB ALA A 100 6.850 -5.462 6.473 1.00 0.00 C ATOM 0 H ALA A 100 7.058 -7.379 4.917 1.00 0.00 H new ATOM 0 HA ALA A 100 5.386 -6.865 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.510 -4.699 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.648 -6.046 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.224 -4.983 5.568 1.00 0.00 H new ATOM 1528 N LEU A 101 4.529 -5.378 4.253 1.00 0.00 N ATOM 1529 CA LEU A 101 3.489 -4.639 3.552 1.00 0.00 C ATOM 1530 C LEU A 101 2.130 -5.062 4.010 1.00 0.00 C ATOM 1531 O LEU A 101 1.323 -4.229 4.369 1.00 0.00 O ATOM 1532 CB LEU A 101 3.552 -4.901 2.075 1.00 0.00 C ATOM 1533 CG LEU A 101 4.861 -4.503 1.376 1.00 0.00 C ATOM 1534 CD1 LEU A 101 4.876 -4.980 -0.059 1.00 0.00 C ATOM 1535 CD2 LEU A 101 5.095 -3.000 1.439 1.00 0.00 C ATOM 0 H LEU A 101 5.263 -5.724 3.635 1.00 0.00 H new ATOM 0 HA LEU A 101 3.656 -3.583 3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.382 -5.965 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.731 -4.368 1.596 1.00 0.00 H new ATOM 0 HG LEU A 101 5.675 -4.991 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 101 5.813 -4.685 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.784 -6.066 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.042 -4.533 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.030 -2.756 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.271 -2.483 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.152 -2.684 2.481 1.00 0.00 H new ATOM 1547 N LEU A 102 1.901 -6.358 4.063 1.00 0.00 N ATOM 1548 CA LEU A 102 0.611 -6.845 4.451 1.00 0.00 C ATOM 1549 C LEU A 102 0.248 -6.521 5.904 1.00 0.00 C ATOM 1550 O LEU A 102 -0.842 -6.014 6.143 1.00 0.00 O ATOM 1551 CB LEU A 102 0.406 -8.323 4.147 1.00 0.00 C ATOM 1552 CG LEU A 102 -0.879 -8.904 4.730 1.00 0.00 C ATOM 1553 CD1 LEU A 102 -2.111 -8.410 3.976 1.00 0.00 C ATOM 1554 CD2 LEU A 102 -0.834 -10.416 4.812 1.00 0.00 C ATOM 0 H LEU A 102 2.588 -7.079 3.843 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.086 -6.293 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.398 -8.463 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.256 -8.885 4.536 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.960 -8.538 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.007 -8.844 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -2.165 -7.323 4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.042 -8.709 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.769 -10.786 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.696 -10.831 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.004 -10.721 5.449 1.00 0.00 H new ATOM 1566 N HIS A 103 1.139 -6.755 6.879 1.00 0.00 N ATOM 1567 CA HIS A 103 0.763 -6.507 8.269 1.00 0.00 C ATOM 1568 C HIS A 103 0.602 -5.002 8.497 1.00 0.00 C ATOM 1569 O HIS A 103 -0.215 -4.570 9.300 1.00 0.00 O ATOM 1570 CB HIS A 103 1.759 -7.142 9.288 1.00 0.00 C ATOM 1571 CG HIS A 103 2.968 -6.320 9.653 1.00 0.00 C ATOM 1572 ND1 HIS A 103 4.135 -6.379 8.945 1.00 0.00 N ATOM 1573 CD2 HIS A 103 3.103 -5.414 10.650 1.00 0.00 C ATOM 1574 CE1 HIS A 103 4.945 -5.499 9.515 1.00 0.00 C ATOM 1575 NE2 HIS A 103 4.366 -4.896 10.558 1.00 0.00 N ATOM 0 H HIS A 103 2.087 -7.102 6.736 1.00 0.00 H new ATOM 0 HA HIS A 103 -0.193 -6.999 8.449 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.212 -7.368 10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 103 2.104 -8.092 8.880 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.354 -5.150 11.381 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.950 -5.294 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.783 -4.190 11.165 1.00 0.00 H new ATOM 1583 N ILE A 104 1.365 -4.227 7.741 1.00 0.00 N ATOM 1584 CA ILE A 104 1.310 -2.769 7.882 1.00 0.00 C ATOM 1585 C ILE A 104 0.092 -2.210 7.171 1.00 0.00 C ATOM 1586 O ILE A 104 -0.607 -1.351 7.696 1.00 0.00 O ATOM 1587 CB ILE A 104 2.660 -2.018 7.509 1.00 0.00 C ATOM 1588 CG1 ILE A 104 2.550 -0.478 7.518 1.00 0.00 C ATOM 1589 CG2 ILE A 104 3.232 -2.456 6.178 1.00 0.00 C ATOM 1590 CD1 ILE A 104 2.082 0.106 6.186 1.00 0.00 C ATOM 0 H ILE A 104 2.019 -4.568 7.036 1.00 0.00 H new ATOM 0 HA ILE A 104 1.198 -2.564 8.947 1.00 0.00 H new ATOM 0 HB ILE A 104 3.339 -2.313 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.856 -0.176 8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.522 -0.053 7.771 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.153 -1.908 5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.445 -3.525 6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.510 -2.252 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.027 1.192 6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.788 -0.166 5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.097 -0.290 5.941 1.00 0.00 H new ATOM 1602 N THR A 105 -0.220 -2.786 6.034 1.00 0.00 N ATOM 1603 CA THR A 105 -1.337 -2.304 5.262 1.00 0.00 C ATOM 1604 C THR A 105 -2.654 -2.781 5.878 1.00 0.00 C ATOM 1605 O THR A 105 -3.570 -2.004 6.040 1.00 0.00 O ATOM 1606 CB THR A 105 -1.219 -2.675 3.744 1.00 0.00 C ATOM 1607 OG1 THR A 105 -2.097 -1.882 2.944 1.00 0.00 O ATOM 1608 CG2 THR A 105 -1.553 -4.124 3.497 1.00 0.00 C ATOM 0 H THR A 105 0.277 -3.579 5.628 1.00 0.00 H new ATOM 0 HA THR A 105 -1.324 -1.215 5.299 1.00 0.00 H new ATOM 0 HB THR A 105 -0.183 -2.483 3.466 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.175 -0.986 3.334 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.460 -4.343 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.866 -4.757 4.059 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.575 -4.322 3.820 1.00 0.00 H new ATOM 1616 N ARG A 106 -2.718 -4.026 6.328 1.00 0.00 N ATOM 1617 CA ARG A 106 -3.973 -4.538 6.832 1.00 0.00 C ATOM 1618 C ARG A 106 -4.322 -3.870 8.142 1.00 0.00 C ATOM 1619 O ARG A 106 -5.430 -3.423 8.314 1.00 0.00 O ATOM 1620 CB ARG A 106 -4.017 -6.076 6.949 1.00 0.00 C ATOM 1621 CG ARG A 106 -3.184 -6.693 8.069 1.00 0.00 C ATOM 1622 CD ARG A 106 -3.385 -8.200 8.137 1.00 0.00 C ATOM 1623 NE ARG A 106 -2.798 -8.787 9.349 1.00 0.00 N ATOM 1624 CZ ARG A 106 -3.492 -9.476 10.269 1.00 0.00 C ATOM 1625 NH1 ARG A 106 -4.818 -9.588 10.181 1.00 0.00 N ATOM 1626 NH2 ARG A 106 -2.857 -10.019 11.292 1.00 0.00 N ATOM 0 H ARG A 106 -1.936 -4.681 6.353 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.732 -4.288 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.055 -6.379 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.685 -6.501 6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.129 -6.471 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.461 -6.243 9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.451 -8.424 8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.938 -8.664 7.258 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.797 -8.663 9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.317 -9.147 9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.333 -10.114 10.887 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.846 -9.913 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.377 -10.544 11.995 1.00 0.00 H new ATOM 1640 N ASP A 107 -3.334 -3.698 9.001 1.00 0.00 N ATOM 1641 CA ASP A 107 -3.550 -3.108 10.310 1.00 0.00 C ATOM 1642 C ASP A 107 -4.037 -1.672 10.160 1.00 0.00 C ATOM 1643 O ASP A 107 -5.115 -1.296 10.658 1.00 0.00 O ATOM 1644 CB ASP A 107 -2.243 -3.138 11.100 1.00 0.00 C ATOM 1645 CG ASP A 107 -2.430 -2.786 12.568 1.00 0.00 C ATOM 1646 OD1 ASP A 107 -2.744 -1.628 12.895 1.00 0.00 O ATOM 1647 OD2 ASP A 107 -2.238 -3.680 13.425 1.00 0.00 O ATOM 0 H ASP A 107 -2.366 -3.961 8.814 1.00 0.00 H new ATOM 0 HA ASP A 107 -4.308 -3.680 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.801 -4.131 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -1.537 -2.439 10.651 1.00 0.00 H new ATOM 1652 N ALA A 108 -3.276 -0.907 9.401 1.00 0.00 N ATOM 1653 CA ALA A 108 -3.566 0.487 9.178 1.00 0.00 C ATOM 1654 C ALA A 108 -4.889 0.667 8.448 1.00 0.00 C ATOM 1655 O ALA A 108 -5.769 1.323 8.943 1.00 0.00 O ATOM 1656 CB ALA A 108 -2.433 1.134 8.402 1.00 0.00 C ATOM 0 H ALA A 108 -2.439 -1.240 8.923 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.657 0.977 10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.660 2.187 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.507 1.047 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -2.318 0.633 7.441 1.00 0.00 H new ATOM 1662 N TYR A 109 -5.072 -0.065 7.372 1.00 0.00 N ATOM 1663 CA TYR A 109 -6.235 0.174 6.489 1.00 0.00 C ATOM 1664 C TYR A 109 -7.549 -0.189 7.179 1.00 0.00 C ATOM 1665 O TYR A 109 -8.593 0.425 6.960 1.00 0.00 O ATOM 1666 CB TYR A 109 -6.038 -0.528 5.129 1.00 0.00 C ATOM 1667 CG TYR A 109 -4.954 0.108 4.255 1.00 0.00 C ATOM 1668 CD1 TYR A 109 -3.805 0.683 4.805 1.00 0.00 C ATOM 1669 CD2 TYR A 109 -5.077 0.120 2.887 1.00 0.00 C ATOM 1670 CE1 TYR A 109 -2.829 1.239 4.021 1.00 0.00 C ATOM 1671 CE2 TYR A 109 -4.098 0.672 2.093 1.00 0.00 C ATOM 1672 CZ TYR A 109 -2.979 1.231 2.664 1.00 0.00 C ATOM 1673 OH TYR A 109 -1.996 1.767 1.868 1.00 0.00 O ATOM 0 H TYR A 109 -4.455 -0.821 7.075 1.00 0.00 H new ATOM 0 HA TYR A 109 -6.302 1.242 6.280 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.783 -1.573 5.304 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -6.983 -0.517 4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -3.683 0.689 5.878 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.955 -0.310 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -1.951 1.679 4.471 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.209 0.666 1.019 1.00 0.00 H new ATOM 0 HH TYR A 109 -2.374 2.002 0.995 1.00 0.00 H new ATOM 1683 N ARG A 110 -7.400 -1.160 8.034 1.00 0.00 N ATOM 1684 CA ARG A 110 -8.557 -1.575 8.847 1.00 0.00 C ATOM 1685 C ARG A 110 -8.982 -0.485 9.847 1.00 0.00 C ATOM 1686 O ARG A 110 -10.048 -0.560 10.443 1.00 0.00 O ATOM 1687 CB ARG A 110 -8.319 -2.913 9.537 1.00 0.00 C ATOM 1688 CG ARG A 110 -8.239 -4.054 8.550 1.00 0.00 C ATOM 1689 CD ARG A 110 -9.582 -4.309 7.908 1.00 0.00 C ATOM 1690 NE ARG A 110 -9.502 -5.234 6.776 1.00 0.00 N ATOM 1691 CZ ARG A 110 -10.030 -6.456 6.744 1.00 0.00 C ATOM 1692 NH1 ARG A 110 -10.769 -6.894 7.759 1.00 0.00 N ATOM 1693 NH2 ARG A 110 -9.851 -7.230 5.674 1.00 0.00 N ATOM 0 H ARG A 110 -6.535 -1.675 8.199 1.00 0.00 H new ATOM 0 HA ARG A 110 -9.390 -1.715 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -7.394 -2.865 10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -9.125 -3.103 10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.502 -3.823 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.898 -4.956 9.058 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.266 -4.713 8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.003 -3.363 7.569 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.002 -4.917 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.934 -6.293 8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.171 -7.831 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.310 -6.886 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.255 -8.166 5.648 1.00 0.00 H new ATOM 1707 N SER A 111 -8.141 0.516 10.022 1.00 0.00 N ATOM 1708 CA SER A 111 -8.424 1.631 10.897 1.00 0.00 C ATOM 1709 C SER A 111 -9.097 2.842 10.185 1.00 0.00 C ATOM 1710 O SER A 111 -9.673 3.687 10.874 1.00 0.00 O ATOM 1711 CB SER A 111 -7.115 2.064 11.591 1.00 0.00 C ATOM 1712 OG SER A 111 -7.304 3.132 12.501 1.00 0.00 O ATOM 0 H SER A 111 -7.236 0.576 9.556 1.00 0.00 H new ATOM 0 HA SER A 111 -9.155 1.289 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.691 1.211 12.121 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.389 2.362 10.834 1.00 0.00 H new ATOM 0 HG SER A 111 -8.075 3.668 12.221 1.00 0.00 H new ATOM 1718 N TRP A 112 -9.053 2.944 8.839 1.00 0.00 N ATOM 1719 CA TRP A 112 -9.596 4.144 8.172 1.00 0.00 C ATOM 1720 C TRP A 112 -10.249 3.871 6.800 1.00 0.00 C ATOM 1721 O TRP A 112 -11.313 4.418 6.483 1.00 0.00 O ATOM 1722 CB TRP A 112 -8.525 5.256 8.081 1.00 0.00 C ATOM 1723 CG TRP A 112 -7.096 4.794 8.285 1.00 0.00 C ATOM 1724 CD1 TRP A 112 -6.414 3.870 7.549 1.00 0.00 C ATOM 1725 CD2 TRP A 112 -6.173 5.254 9.282 1.00 0.00 C ATOM 1726 NE1 TRP A 112 -5.138 3.745 8.004 1.00 0.00 N ATOM 1727 CE2 TRP A 112 -4.961 4.569 9.077 1.00 0.00 C ATOM 1728 CE3 TRP A 112 -6.254 6.177 10.324 1.00 0.00 C ATOM 1729 CZ2 TRP A 112 -3.841 4.771 9.878 1.00 0.00 C ATOM 1730 CZ3 TRP A 112 -5.141 6.379 11.120 1.00 0.00 C ATOM 1731 CH2 TRP A 112 -3.950 5.682 10.891 1.00 0.00 C ATOM 0 H TRP A 112 -8.663 2.239 8.214 1.00 0.00 H new ATOM 0 HA TRP A 112 -10.412 4.490 8.807 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -8.600 5.731 7.103 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.753 6.019 8.825 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -6.829 3.315 6.721 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -4.426 3.132 7.606 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.168 6.723 10.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -2.922 4.230 9.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.192 7.088 11.933 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -3.098 5.868 11.528 1.00 0.00 H new ATOM 1742 N THR A 113 -9.637 3.005 6.014 1.00 0.00 N ATOM 1743 CA THR A 113 -10.261 2.740 4.716 1.00 0.00 C ATOM 1744 C THR A 113 -11.312 1.652 4.737 1.00 0.00 C ATOM 1745 O THR A 113 -12.413 1.846 4.197 1.00 0.00 O ATOM 1746 CB THR A 113 -9.254 2.592 3.538 1.00 0.00 C ATOM 1747 OG1 THR A 113 -9.941 2.515 2.285 1.00 0.00 O ATOM 1748 CG2 THR A 113 -8.392 1.367 3.688 1.00 0.00 C ATOM 0 H THR A 113 -8.774 2.502 6.220 1.00 0.00 H new ATOM 0 HA THR A 113 -10.810 3.659 4.508 1.00 0.00 H new ATOM 0 HB THR A 113 -8.619 3.477 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 113 -9.324 2.743 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.704 1.301 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.824 1.433 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.023 0.479 3.711 1.00 0.00 H new ATOM 1756 N ASN A 114 -11.044 0.560 5.394 1.00 0.00 N ATOM 1757 CA ASN A 114 -11.991 -0.520 5.414 1.00 0.00 C ATOM 1758 C ASN A 114 -11.943 -1.232 6.713 1.00 0.00 C ATOM 1759 O ASN A 114 -11.213 -2.201 6.820 1.00 0.00 O ATOM 1760 CB ASN A 114 -11.795 -1.490 4.249 1.00 0.00 C ATOM 1761 CG ASN A 114 -13.020 -1.542 3.362 1.00 0.00 C ATOM 1762 OD1 ASN A 114 -13.351 -2.584 2.803 1.00 0.00 O ATOM 1763 ND2 ASN A 114 -13.686 -0.415 3.202 1.00 0.00 N ATOM 1764 OXT ASN A 114 -12.635 -0.798 7.648 1.00 0.00 O ATOM 0 H ASN A 114 -10.186 0.393 5.919 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.981 -0.081 5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.930 -1.184 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.581 -2.487 4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.507 -0.389 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.380 0.431 3.683 1.00 0.00 H new TER 1771 ASN A 114