USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 917 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 11 ASN : amide:sc= 0 X(o=0.42,f=0.39) USER MOD Set 1.2: B 28 LYS NZ :NH3+ -154:sc= 0.417 (180deg=0.142) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.94 K(o=-8.6,f=-21!) USER MOD Set 2.2: B 26 GLN : amide:sc= -4.15! C(o=-8.6!,f=-9.7!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.51 K(o=-8.6,f=-11!) USER MOD Set 3.1: B 7 LYS NZ :NH3+ 169:sc= 0.0421 (180deg=0) USER MOD Set 3.2: B 10 SER OG : rot -109:sc= 0.164 USER MOD Set 4.1: A 14 TYR OH : rot -78:sc= 0.509 USER MOD Set 4.2: A 18 HIS :FLIP no HE2:sc= -22.3! C(o=-24!,f=-22!) USER MOD Set 5.1: A 6 ASN : amide:sc= 0.263 X(o=-1.9,f=-2.1) USER MOD Set 5.2: A 10 GLN : amide:sc= -2.14 X(o=-1.9,f=-1.4!) USER MOD Single : A 1 VAL N :NH3+ 151:sc= -0.559 (180deg=-0.961) USER MOD Single : A 3 ASN : amide:sc= -0.378 K(o=-0.38,f=-3.5!) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.00457 (180deg=0.00209) USER MOD Single : A 9 GLN : amide:sc= -1.79! C(o=-1.8!,f=-4.4!) USER MOD Single : A 21 ASN : amide:sc= -2.51! X(o=-2.5!,f=-2.3) USER MOD Single : A 23 ASN : amide:sc= -1.5! C(o=-1.5!,f=-7.7!) USER MOD Single : A 26 GLN : amide:sc= 0.173 K(o=0.17,f=-1.6) USER MOD Single : A 28 ASN : amide:sc= -1.03 K(o=-1,f=-3.7!) USER MOD Single : A 32 GLN : amide:sc= -0.783 K(o=-0.78,f=-3.1!) USER MOD Single : A 33 SER OG : rot 20:sc= 0.118 USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.351 (180deg=0.281) USER MOD Single : A 39 SER OG : rot 58:sc= 0.0125 USER MOD Single : A 40 GLN : amide:sc=-0.00486 X(o=-0.0049,f=0) USER MOD Single : A 41 SER OG : rot -98:sc= 0.658 USER MOD Single : A 43 ASN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.03! C(o=-2!,f=-11!) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 150:sc= -0.734 (180deg=-1.05) USER MOD Single : B 3 ASN : amide:sc= 0.0239 K(o=0.024,f=-1.9) USER MOD Single : B 4 LYS NZ :NH3+ 166:sc= 0.0534 (180deg=0.0327) USER MOD Single : B 6 ASN :FLIP amide:sc= -2.02 F(o=-2.7!,f=-2) USER MOD Single : B 18 THR OG1 : rot -44:sc= 0.491 USER MOD Single : B 21 ASN : amide:sc= -3.33! C(o=-3.3!,f=-4.4!) USER MOD Single : B 27 LYS NZ :NH3+ -164:sc= 0.0552 (180deg=0.0035) USER MOD Single : B 33 SER OG : rot -42:sc= -0.369! USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.51) USER MOD Single : B 41 SER OG : rot -103:sc= -1.63 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 170:sc= 0.229 (180deg=0.0598) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 ASN : amide:sc= -5.69! C(o=-5.7!,f=-15!) USER MOD Single : B 58 LYS NZ :NH3+ -170:sc= -0.387 (180deg=-0.431) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -4.431 -18.494 10.410 1.00 0.00 N ATOM 2 CA VAL A 1 -3.169 -18.271 11.205 1.00 0.00 C ATOM 3 C VAL A 1 -2.086 -19.299 10.800 1.00 0.00 C ATOM 4 O VAL A 1 -1.508 -19.974 11.639 1.00 0.00 O ATOM 5 CB VAL A 1 -3.541 -18.412 12.711 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.345 -17.189 13.171 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.365 -19.690 12.962 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.252 -18.188 10.970 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.388 -17.943 9.529 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.524 -19.505 10.182 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.757 -17.281 11.010 1.00 0.00 H new ATOM 0 HB VAL A 1 -2.614 -18.478 13.281 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -4.600 -17.297 14.225 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.748 -16.288 13.033 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.259 -17.112 12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -4.610 -19.762 14.022 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -5.285 -19.650 12.378 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.783 -20.562 12.664 1.00 0.00 H new ATOM 19 N ASP A 2 -1.813 -19.415 9.514 1.00 0.00 N ATOM 20 CA ASP A 2 -0.775 -20.391 9.028 1.00 0.00 C ATOM 21 C ASP A 2 0.377 -19.678 8.282 1.00 0.00 C ATOM 22 O ASP A 2 1.518 -20.097 8.377 1.00 0.00 O ATOM 23 CB ASP A 2 -1.530 -21.367 8.094 1.00 0.00 C ATOM 24 CG ASP A 2 -2.070 -20.645 6.846 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.134 -20.049 6.941 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.415 -20.703 5.819 1.00 0.00 O ATOM 0 H ASP A 2 -2.267 -18.873 8.779 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.303 -20.913 9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.861 -22.172 7.790 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.356 -21.826 8.637 1.00 0.00 H new ATOM 31 N ASN A 3 0.091 -18.614 7.544 1.00 0.00 N ATOM 32 CA ASN A 3 1.167 -17.887 6.798 1.00 0.00 C ATOM 33 C ASN A 3 1.311 -16.447 7.316 1.00 0.00 C ATOM 34 O ASN A 3 0.444 -15.612 7.109 1.00 0.00 O ATOM 35 CB ASN A 3 0.712 -17.902 5.328 1.00 0.00 C ATOM 36 CG ASN A 3 1.753 -17.195 4.449 1.00 0.00 C ATOM 37 OD1 ASN A 3 1.514 -16.105 3.969 1.00 0.00 O ATOM 38 ND2 ASN A 3 2.906 -17.765 4.221 1.00 0.00 N ATOM 0 H ASN A 3 -0.845 -18.225 7.432 1.00 0.00 H new ATOM 0 HA ASN A 3 2.143 -18.355 6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.577 -18.930 4.991 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.254 -17.406 5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.602 -17.295 3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.111 -18.680 4.622 1.00 0.00 H new ATOM 45 N LYS A 4 2.417 -16.155 7.976 1.00 0.00 N ATOM 46 CA LYS A 4 2.654 -14.759 8.501 1.00 0.00 C ATOM 47 C LYS A 4 2.899 -13.766 7.344 1.00 0.00 C ATOM 48 O LYS A 4 2.615 -12.589 7.474 1.00 0.00 O ATOM 49 CB LYS A 4 3.901 -14.837 9.410 1.00 0.00 C ATOM 50 CG LYS A 4 5.167 -15.164 8.597 1.00 0.00 C ATOM 51 CD LYS A 4 6.387 -15.201 9.526 1.00 0.00 C ATOM 52 CE LYS A 4 7.297 -13.992 9.243 1.00 0.00 C ATOM 53 NZ LYS A 4 6.770 -12.876 10.088 1.00 0.00 N ATOM 0 H LYS A 4 3.164 -16.821 8.174 1.00 0.00 H new ATOM 0 HA LYS A 4 1.782 -14.401 9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.035 -13.888 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.750 -15.600 10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.050 -16.125 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.314 -14.415 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.063 -15.188 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.941 -16.128 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.334 -14.216 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.275 -13.726 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.379 -12.040 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.802 -12.641 9.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.763 -13.170 11.086 1.00 0.00 H new ATOM 67 N PHE A 5 3.444 -14.238 6.231 1.00 0.00 N ATOM 68 CA PHE A 5 3.750 -13.341 5.066 1.00 0.00 C ATOM 69 C PHE A 5 2.504 -12.595 4.564 1.00 0.00 C ATOM 70 O PHE A 5 2.628 -11.492 4.088 1.00 0.00 O ATOM 71 CB PHE A 5 4.318 -14.245 3.954 1.00 0.00 C ATOM 72 CG PHE A 5 5.654 -14.876 4.353 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.383 -14.416 5.470 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.161 -15.933 3.587 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.601 -15.016 5.805 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.381 -16.529 3.926 1.00 0.00 C ATOM 77 CZ PHE A 5 8.100 -16.069 5.034 1.00 0.00 C ATOM 0 H PHE A 5 3.689 -15.217 6.086 1.00 0.00 H new ATOM 0 HA PHE A 5 4.462 -12.572 5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.600 -15.032 3.725 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.451 -13.660 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.000 -13.601 6.066 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.608 -16.290 2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.157 -14.665 6.662 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.767 -17.344 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.042 -16.528 5.294 1.00 0.00 H new ATOM 87 N ASN A 6 1.314 -13.176 4.659 1.00 0.00 N ATOM 88 CA ASN A 6 0.082 -12.458 4.169 1.00 0.00 C ATOM 89 C ASN A 6 -0.032 -11.066 4.825 1.00 0.00 C ATOM 90 O ASN A 6 -0.115 -10.072 4.129 1.00 0.00 O ATOM 91 CB ASN A 6 -1.107 -13.350 4.564 1.00 0.00 C ATOM 92 CG ASN A 6 -2.411 -12.759 4.006 1.00 0.00 C ATOM 93 OD1 ASN A 6 -3.220 -12.241 4.747 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.649 -12.809 2.720 1.00 0.00 N ATOM 0 H ASN A 6 1.149 -14.104 5.050 1.00 0.00 H new ATOM 0 HA ASN A 6 0.114 -12.293 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.960 -14.359 4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.169 -13.430 5.649 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.511 -12.414 2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.972 -13.243 2.093 1.00 0.00 H new ATOM 101 N LYS A 7 0.002 -10.991 6.150 1.00 0.00 N ATOM 102 CA LYS A 7 -0.072 -9.657 6.851 1.00 0.00 C ATOM 103 C LYS A 7 1.290 -8.936 6.826 1.00 0.00 C ATOM 104 O LYS A 7 1.330 -7.726 6.860 1.00 0.00 O ATOM 105 CB LYS A 7 -0.546 -9.955 8.273 1.00 0.00 C ATOM 106 CG LYS A 7 -0.606 -8.690 9.114 1.00 0.00 C ATOM 107 CD LYS A 7 -1.918 -8.014 8.793 1.00 0.00 C ATOM 108 CE LYS A 7 -2.259 -6.975 9.875 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.748 -6.845 9.852 1.00 0.00 N ATOM 0 H LYS A 7 0.078 -11.797 6.771 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.763 -8.978 6.352 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.532 -10.419 8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.128 -10.673 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.544 -8.928 10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.233 -8.033 8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.857 -7.529 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.713 -8.758 8.729 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.909 -7.300 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.779 -6.019 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.055 -6.230 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.046 -6.430 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.180 -7.785 9.962 1.00 0.00 H new ATOM 123 N GLU A 8 2.396 -9.655 6.723 1.00 0.00 N ATOM 124 CA GLU A 8 3.743 -8.972 6.631 1.00 0.00 C ATOM 125 C GLU A 8 3.782 -8.226 5.306 1.00 0.00 C ATOM 126 O GLU A 8 4.104 -7.064 5.258 1.00 0.00 O ATOM 127 CB GLU A 8 4.844 -10.040 6.615 1.00 0.00 C ATOM 128 CG GLU A 8 5.086 -10.643 8.002 1.00 0.00 C ATOM 129 CD GLU A 8 5.386 -9.544 9.036 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.354 -8.822 8.849 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.639 -9.446 9.994 1.00 0.00 O ATOM 0 H GLU A 8 2.425 -10.674 6.699 1.00 0.00 H new ATOM 0 HA GLU A 8 3.894 -8.297 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.569 -10.833 5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.770 -9.599 6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.209 -11.211 8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.920 -11.343 7.958 1.00 0.00 H new ATOM 138 N GLN A 9 3.384 -8.901 4.237 1.00 0.00 N ATOM 139 CA GLN A 9 3.302 -8.246 2.901 1.00 0.00 C ATOM 140 C GLN A 9 2.258 -7.132 2.995 1.00 0.00 C ATOM 141 O GLN A 9 2.434 -6.077 2.457 1.00 0.00 O ATOM 142 CB GLN A 9 2.814 -9.308 1.913 1.00 0.00 C ATOM 143 CG GLN A 9 3.870 -10.374 1.640 1.00 0.00 C ATOM 144 CD GLN A 9 3.228 -11.490 0.807 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.699 -12.439 1.348 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.245 -11.414 -0.497 1.00 0.00 N ATOM 0 H GLN A 9 3.113 -9.884 4.247 1.00 0.00 H new ATOM 0 HA GLN A 9 4.261 -7.835 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.916 -9.783 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.535 -8.828 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.716 -9.941 1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.256 -10.775 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.688 -10.618 -0.956 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.815 -12.150 -1.056 1.00 0.00 H new ATOM 155 N GLN A 10 1.182 -7.383 3.719 1.00 0.00 N ATOM 156 CA GLN A 10 0.105 -6.360 3.924 1.00 0.00 C ATOM 157 C GLN A 10 0.684 -5.138 4.655 1.00 0.00 C ATOM 158 O GLN A 10 0.456 -4.011 4.258 1.00 0.00 O ATOM 159 CB GLN A 10 -0.926 -7.077 4.805 1.00 0.00 C ATOM 160 CG GLN A 10 -2.315 -6.997 4.175 1.00 0.00 C ATOM 161 CD GLN A 10 -2.855 -8.413 3.895 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.748 -9.290 4.730 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.468 -8.674 2.776 1.00 0.00 N ATOM 0 H GLN A 10 1.007 -8.274 4.184 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.327 -5.998 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.639 -8.120 4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.943 -6.625 5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.995 -6.466 4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.269 -6.427 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.565 -7.948 2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.851 -9.605 2.609 1.00 0.00 H new ATOM 172 N ASN A 11 1.447 -5.373 5.708 1.00 0.00 N ATOM 173 CA ASN A 11 2.080 -4.256 6.477 1.00 0.00 C ATOM 174 C ASN A 11 3.187 -3.619 5.645 1.00 0.00 C ATOM 175 O ASN A 11 3.263 -2.417 5.545 1.00 0.00 O ATOM 176 CB ASN A 11 2.671 -4.895 7.742 1.00 0.00 C ATOM 177 CG ASN A 11 3.026 -3.799 8.752 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.151 -3.233 9.383 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.275 -3.462 8.926 1.00 0.00 N ATOM 0 H ASN A 11 1.656 -6.305 6.066 1.00 0.00 H new ATOM 0 HA ASN A 11 1.359 -3.476 6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.954 -5.589 8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.560 -5.472 7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.517 -2.726 9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.009 -3.935 8.399 1.00 0.00 H new ATOM 186 N ALA A 12 4.030 -4.427 5.029 1.00 0.00 N ATOM 187 CA ALA A 12 5.123 -3.879 4.171 1.00 0.00 C ATOM 188 C ALA A 12 4.497 -3.109 3.012 1.00 0.00 C ATOM 189 O ALA A 12 4.910 -2.015 2.715 1.00 0.00 O ATOM 190 CB ALA A 12 5.906 -5.085 3.653 1.00 0.00 C ATOM 0 H ALA A 12 4.001 -5.445 5.089 1.00 0.00 H new ATOM 0 HA ALA A 12 5.779 -3.201 4.717 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.722 -4.743 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.313 -5.644 4.496 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.242 -5.730 3.077 1.00 0.00 H new ATOM 196 N PHE A 13 3.464 -3.667 2.405 1.00 0.00 N ATOM 197 CA PHE A 13 2.738 -2.970 1.297 1.00 0.00 C ATOM 198 C PHE A 13 2.241 -1.630 1.830 1.00 0.00 C ATOM 199 O PHE A 13 2.580 -0.589 1.306 1.00 0.00 O ATOM 200 CB PHE A 13 1.545 -3.896 0.951 1.00 0.00 C ATOM 201 CG PHE A 13 0.567 -3.208 0.040 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.011 -2.620 -1.138 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.789 -3.199 0.359 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.100 -2.017 -1.993 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.706 -2.605 -0.503 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.262 -2.013 -1.676 1.00 0.00 C ATOM 0 H PHE A 13 3.094 -4.588 2.639 1.00 0.00 H new ATOM 0 HA PHE A 13 3.357 -2.783 0.419 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.913 -4.804 0.474 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.040 -4.200 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.062 -2.632 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.129 -3.654 1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.443 -1.550 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.758 -2.605 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.970 -1.548 -2.346 1.00 0.00 H new ATOM 216 N TYR A 14 1.469 -1.675 2.896 1.00 0.00 N ATOM 217 CA TYR A 14 0.936 -0.432 3.523 1.00 0.00 C ATOM 218 C TYR A 14 2.070 0.553 3.841 1.00 0.00 C ATOM 219 O TYR A 14 2.047 1.675 3.400 1.00 0.00 O ATOM 220 CB TYR A 14 0.294 -0.898 4.812 1.00 0.00 C ATOM 221 CG TYR A 14 -0.395 0.265 5.458 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.660 0.643 5.031 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.225 0.954 6.501 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.308 1.679 5.627 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.434 2.016 7.116 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.712 2.381 6.683 1.00 0.00 C ATOM 227 OH TYR A 14 -2.383 3.436 7.282 1.00 0.00 O ATOM 0 H TYR A 14 1.185 -2.538 3.360 1.00 0.00 H new ATOM 0 HA TYR A 14 0.240 0.086 2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.421 -1.695 4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.049 -1.309 5.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.133 0.110 4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.212 0.665 6.830 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.291 1.964 5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.040 2.555 7.923 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.321 4.230 6.710 1.00 0.00 H new ATOM 237 N GLU A 15 3.067 0.126 4.594 1.00 0.00 N ATOM 238 CA GLU A 15 4.207 1.038 4.942 1.00 0.00 C ATOM 239 C GLU A 15 4.870 1.552 3.656 1.00 0.00 C ATOM 240 O GLU A 15 5.105 2.731 3.536 1.00 0.00 O ATOM 241 CB GLU A 15 5.182 0.201 5.780 1.00 0.00 C ATOM 242 CG GLU A 15 4.567 -0.150 7.154 1.00 0.00 C ATOM 243 CD GLU A 15 4.211 1.127 7.930 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.101 1.933 8.166 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.049 1.279 8.273 1.00 0.00 O ATOM 0 H GLU A 15 3.137 -0.815 4.981 1.00 0.00 H new ATOM 0 HA GLU A 15 3.878 1.914 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.434 -0.715 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.111 0.753 5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.673 -0.758 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.272 -0.748 7.732 1.00 0.00 H new ATOM 252 N ILE A 16 5.099 0.691 2.670 1.00 0.00 N ATOM 253 CA ILE A 16 5.681 1.163 1.353 1.00 0.00 C ATOM 254 C ILE A 16 4.796 2.302 0.799 1.00 0.00 C ATOM 255 O ILE A 16 5.290 3.348 0.413 1.00 0.00 O ATOM 256 CB ILE A 16 5.684 -0.096 0.444 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.997 -0.849 0.695 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.572 0.269 -1.042 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.786 -2.346 0.514 1.00 0.00 C ATOM 0 H ILE A 16 4.909 -0.310 2.722 1.00 0.00 H new ATOM 0 HA ILE A 16 6.689 1.570 1.432 1.00 0.00 H new ATOM 0 HB ILE A 16 4.819 -0.714 0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.765 -0.496 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.355 -0.644 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.578 -0.641 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.642 0.811 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.416 0.897 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.724 -2.870 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.033 -2.695 1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.449 -2.546 -0.503 1.00 0.00 H new ATOM 271 N LEU A 17 3.495 2.107 0.807 1.00 0.00 N ATOM 272 CA LEU A 17 2.544 3.184 0.332 1.00 0.00 C ATOM 273 C LEU A 17 2.554 4.396 1.284 1.00 0.00 C ATOM 274 O LEU A 17 2.450 5.520 0.846 1.00 0.00 O ATOM 275 CB LEU A 17 1.144 2.557 0.346 1.00 0.00 C ATOM 276 CG LEU A 17 1.058 1.437 -0.685 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.376 0.234 -0.097 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.216 1.856 -1.850 1.00 0.00 C ATOM 0 H LEU A 17 3.044 1.248 1.122 1.00 0.00 H new ATOM 0 HA LEU A 17 2.836 3.535 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.923 2.165 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.394 3.318 0.130 1.00 0.00 H new ATOM 0 HG LEU A 17 2.079 1.210 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.323 -0.556 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.942 -0.120 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.632 0.505 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.167 1.043 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.790 2.095 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.657 2.735 -2.320 1.00 0.00 H new ATOM 290 N HIS A 18 2.652 4.168 2.580 1.00 0.00 N ATOM 291 CA HIS A 18 2.638 5.302 3.570 1.00 0.00 C ATOM 292 C HIS A 18 4.031 5.965 3.747 1.00 0.00 C ATOM 293 O HIS A 18 4.137 6.967 4.435 1.00 0.00 O ATOM 294 CB HIS A 18 2.111 4.686 4.887 1.00 0.00 C ATOM 295 CG HIS A 18 0.613 4.460 4.775 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.132 3.463 4.183 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.323 5.370 5.252 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.467 3.772 4.260 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.545 4.897 4.920 1.00 0.00 N flip ATOM 0 H HIS A 18 2.741 3.241 2.995 1.00 0.00 H new ATOM 0 HA HIS A 18 2.002 6.117 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.618 3.742 5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.328 5.350 5.724 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.251 2.622 3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.113 6.284 5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.289 3.200 3.856 1.00 0.00 H new ATOM 307 N LEU A 19 5.093 5.454 3.118 1.00 0.00 N ATOM 308 CA LEU A 19 6.445 6.114 3.253 1.00 0.00 C ATOM 309 C LEU A 19 6.465 7.383 2.367 1.00 0.00 C ATOM 310 O LEU A 19 6.208 7.299 1.176 1.00 0.00 O ATOM 311 CB LEU A 19 7.496 5.103 2.752 1.00 0.00 C ATOM 312 CG LEU A 19 7.834 4.057 3.834 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.806 3.030 3.247 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.487 4.715 5.058 1.00 0.00 C ATOM 0 H LEU A 19 5.074 4.622 2.528 1.00 0.00 H new ATOM 0 HA LEU A 19 6.655 6.399 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.122 4.599 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.403 5.633 2.461 1.00 0.00 H new ATOM 0 HG LEU A 19 6.908 3.577 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.051 2.286 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.343 2.538 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.717 3.534 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.714 3.953 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.409 5.212 4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.803 5.448 5.485 1.00 0.00 H new ATOM 326 N PRO A 20 6.733 8.524 2.983 1.00 0.00 N ATOM 327 CA PRO A 20 6.742 9.834 2.248 1.00 0.00 C ATOM 328 C PRO A 20 7.857 9.989 1.182 1.00 0.00 C ATOM 329 O PRO A 20 7.775 10.904 0.380 1.00 0.00 O ATOM 330 CB PRO A 20 6.932 10.863 3.365 1.00 0.00 C ATOM 331 CG PRO A 20 7.604 10.112 4.465 1.00 0.00 C ATOM 332 CD PRO A 20 7.049 8.718 4.413 1.00 0.00 C ATOM 0 HA PRO A 20 5.826 9.943 1.667 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.541 11.703 3.030 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.976 11.273 3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.686 10.107 4.330 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.406 10.575 5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.773 7.984 4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.161 8.616 5.037 1.00 0.00 H new ATOM 340 N ASN A 21 8.898 9.160 1.153 1.00 0.00 N ATOM 341 CA ASN A 21 9.976 9.370 0.119 1.00 0.00 C ATOM 342 C ASN A 21 10.002 8.282 -0.974 1.00 0.00 C ATOM 343 O ASN A 21 10.653 8.463 -1.990 1.00 0.00 O ATOM 344 CB ASN A 21 11.295 9.406 0.899 1.00 0.00 C ATOM 345 CG ASN A 21 12.139 10.568 0.377 1.00 0.00 C ATOM 346 OD1 ASN A 21 12.792 10.449 -0.637 1.00 0.00 O ATOM 347 ND2 ASN A 21 12.135 11.703 1.020 1.00 0.00 N ATOM 0 H ASN A 21 9.040 8.371 1.784 1.00 0.00 H new ATOM 0 HA ASN A 21 9.793 10.295 -0.428 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.101 9.528 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.831 8.465 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.681 12.490 0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.586 11.804 1.873 1.00 0.00 H new ATOM 354 N LEU A 22 9.301 7.173 -0.801 1.00 0.00 N ATOM 355 CA LEU A 22 9.295 6.104 -1.872 1.00 0.00 C ATOM 356 C LEU A 22 8.593 6.596 -3.136 1.00 0.00 C ATOM 357 O LEU A 22 8.992 6.257 -4.233 1.00 0.00 O ATOM 358 CB LEU A 22 8.488 4.931 -1.314 1.00 0.00 C ATOM 359 CG LEU A 22 9.175 4.309 -0.105 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.472 3.004 0.206 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.640 4.033 -0.415 1.00 0.00 C ATOM 0 H LEU A 22 8.739 6.963 0.024 1.00 0.00 H new ATOM 0 HA LEU A 22 10.319 5.832 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.492 5.274 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.358 4.176 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 22 9.125 4.990 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.943 2.534 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.423 3.200 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.544 2.338 -0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.119 3.589 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.710 3.345 -1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.141 4.968 -0.667 1.00 0.00 H new ATOM 373 N ASN A 23 7.511 7.338 -2.953 1.00 0.00 N ATOM 374 CA ASN A 23 6.654 7.865 -4.088 1.00 0.00 C ATOM 375 C ASN A 23 6.248 6.737 -5.047 1.00 0.00 C ATOM 376 O ASN A 23 6.358 5.583 -4.719 1.00 0.00 O ATOM 377 CB ASN A 23 7.400 9.035 -4.794 1.00 0.00 C ATOM 378 CG ASN A 23 8.683 8.595 -5.515 1.00 0.00 C ATOM 379 OD1 ASN A 23 8.629 8.016 -6.579 1.00 0.00 O ATOM 380 ND2 ASN A 23 9.848 8.863 -4.981 1.00 0.00 N ATOM 0 H ASN A 23 7.174 7.610 -2.029 1.00 0.00 H new ATOM 0 HA ASN A 23 5.719 8.262 -3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.729 9.501 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.651 9.795 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.705 8.585 -5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.899 9.350 -4.086 1.00 0.00 H new ATOM 387 N GLU A 24 5.749 7.062 -6.209 1.00 0.00 N ATOM 388 CA GLU A 24 5.286 5.987 -7.159 1.00 0.00 C ATOM 389 C GLU A 24 6.432 5.095 -7.678 1.00 0.00 C ATOM 390 O GLU A 24 6.199 3.945 -8.009 1.00 0.00 O ATOM 391 CB GLU A 24 4.586 6.717 -8.318 1.00 0.00 C ATOM 392 CG GLU A 24 3.998 5.692 -9.309 1.00 0.00 C ATOM 393 CD GLU A 24 2.556 6.064 -9.665 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.373 6.799 -10.622 1.00 0.00 O ATOM 395 OE2 GLU A 24 1.658 5.600 -8.982 1.00 0.00 O ATOM 0 H GLU A 24 5.639 8.018 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 24 4.616 5.301 -6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.793 7.356 -7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.296 7.366 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.606 5.660 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.026 4.695 -8.870 1.00 0.00 H new ATOM 402 N GLU A 25 7.645 5.598 -7.762 1.00 0.00 N ATOM 403 CA GLU A 25 8.774 4.758 -8.285 1.00 0.00 C ATOM 404 C GLU A 25 9.129 3.625 -7.309 1.00 0.00 C ATOM 405 O GLU A 25 9.032 2.460 -7.655 1.00 0.00 O ATOM 406 CB GLU A 25 9.957 5.727 -8.444 1.00 0.00 C ATOM 407 CG GLU A 25 11.172 4.979 -9.015 1.00 0.00 C ATOM 408 CD GLU A 25 12.412 5.880 -8.955 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.880 6.146 -7.857 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.881 6.279 -10.009 1.00 0.00 O ATOM 0 H GLU A 25 7.900 6.548 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 25 8.509 4.274 -9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.680 6.547 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.210 6.167 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.347 4.065 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.976 4.682 -10.045 1.00 0.00 H new ATOM 417 N GLN A 26 9.543 3.960 -6.106 1.00 0.00 N ATOM 418 CA GLN A 26 9.927 2.895 -5.107 1.00 0.00 C ATOM 419 C GLN A 26 8.694 2.174 -4.545 1.00 0.00 C ATOM 420 O GLN A 26 8.716 0.969 -4.380 1.00 0.00 O ATOM 421 CB GLN A 26 10.698 3.602 -3.978 1.00 0.00 C ATOM 422 CG GLN A 26 11.990 4.250 -4.515 1.00 0.00 C ATOM 423 CD GLN A 26 12.872 3.206 -5.228 1.00 0.00 C ATOM 424 OE1 GLN A 26 12.996 2.082 -4.783 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.496 3.537 -6.324 1.00 0.00 N ATOM 0 H GLN A 26 9.633 4.919 -5.770 1.00 0.00 H new ATOM 0 HA GLN A 26 10.538 2.132 -5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.066 4.365 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.945 2.884 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.738 5.053 -5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.545 4.700 -3.692 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.396 4.479 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.084 2.854 -6.802 1.00 0.00 H new ATOM 434 N ARG A 27 7.636 2.900 -4.237 1.00 0.00 N ATOM 435 CA ARG A 27 6.402 2.257 -3.659 1.00 0.00 C ATOM 436 C ARG A 27 5.822 1.187 -4.612 1.00 0.00 C ATOM 437 O ARG A 27 5.589 0.064 -4.206 1.00 0.00 O ATOM 438 CB ARG A 27 5.398 3.404 -3.513 1.00 0.00 C ATOM 439 CG ARG A 27 4.097 2.951 -2.843 1.00 0.00 C ATOM 440 CD ARG A 27 2.903 3.080 -3.814 1.00 0.00 C ATOM 441 NE ARG A 27 2.985 4.456 -4.416 1.00 0.00 N ATOM 442 CZ ARG A 27 2.599 4.665 -5.656 1.00 0.00 C ATOM 443 NH1 ARG A 27 2.960 3.836 -6.602 1.00 0.00 N ATOM 444 NH2 ARG A 27 1.882 5.721 -5.958 1.00 0.00 N ATOM 0 H ARG A 27 7.574 3.911 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 27 6.622 1.754 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.847 4.205 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.174 3.816 -4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.194 1.916 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.913 3.552 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.949 2.315 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.959 2.943 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 27 3.342 5.232 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.541 3.028 -6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.661 3.998 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.621 6.385 -5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.586 5.878 -6.921 1.00 0.00 H new ATOM 458 N ASN A 28 5.601 1.535 -5.876 1.00 0.00 N ATOM 459 CA ASN A 28 5.044 0.539 -6.864 1.00 0.00 C ATOM 460 C ASN A 28 6.038 -0.606 -7.076 1.00 0.00 C ATOM 461 O ASN A 28 5.650 -1.759 -7.104 1.00 0.00 O ATOM 462 CB ASN A 28 4.833 1.322 -8.163 1.00 0.00 C ATOM 463 CG ASN A 28 4.327 0.395 -9.281 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.448 -0.417 -9.068 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.853 0.485 -10.472 1.00 0.00 N ATOM 0 H ASN A 28 5.783 2.463 -6.259 1.00 0.00 H new ATOM 0 HA ASN A 28 4.114 0.092 -6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.115 2.125 -7.997 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.769 1.790 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.526 -0.125 -11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.591 1.166 -10.654 1.00 0.00 H new ATOM 472 N ALA A 29 7.319 -0.291 -7.195 1.00 0.00 N ATOM 473 CA ALA A 29 8.363 -1.359 -7.373 1.00 0.00 C ATOM 474 C ALA A 29 8.321 -2.326 -6.196 1.00 0.00 C ATOM 475 O ALA A 29 8.463 -3.524 -6.359 1.00 0.00 O ATOM 476 CB ALA A 29 9.690 -0.632 -7.352 1.00 0.00 C ATOM 0 H ALA A 29 7.681 0.662 -7.176 1.00 0.00 H new ATOM 0 HA ALA A 29 8.205 -1.924 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.500 -1.350 -7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.720 0.094 -8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.807 -0.115 -6.399 1.00 0.00 H new ATOM 482 N PHE A 30 8.112 -1.800 -5.008 1.00 0.00 N ATOM 483 CA PHE A 30 8.031 -2.661 -3.799 1.00 0.00 C ATOM 484 C PHE A 30 6.823 -3.551 -3.875 1.00 0.00 C ATOM 485 O PHE A 30 6.914 -4.714 -3.607 1.00 0.00 O ATOM 486 CB PHE A 30 7.931 -1.709 -2.619 1.00 0.00 C ATOM 487 CG PHE A 30 9.321 -1.273 -2.229 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.397 -2.165 -2.364 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.536 0.002 -1.721 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.663 -1.787 -1.996 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.818 0.380 -1.338 1.00 0.00 C ATOM 492 CZ PHE A 30 11.882 -0.527 -1.479 1.00 0.00 C ATOM 0 H PHE A 30 7.994 -0.802 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 30 8.899 -3.314 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.324 -0.843 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.439 -2.199 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.227 -3.155 -2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.713 0.695 -1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.488 -2.475 -2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.995 1.366 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.878 -0.236 -1.181 1.00 0.00 H new ATOM 502 N ILE A 31 5.715 -3.013 -4.289 1.00 0.00 N ATOM 503 CA ILE A 31 4.489 -3.840 -4.454 1.00 0.00 C ATOM 504 C ILE A 31 4.751 -4.900 -5.549 1.00 0.00 C ATOM 505 O ILE A 31 4.207 -5.980 -5.487 1.00 0.00 O ATOM 506 CB ILE A 31 3.405 -2.826 -4.809 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.165 -1.943 -3.583 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.120 -3.536 -5.170 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.552 -0.618 -3.996 1.00 0.00 C ATOM 0 H ILE A 31 5.603 -2.026 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 31 4.189 -4.408 -3.573 1.00 0.00 H new ATOM 0 HB ILE A 31 3.723 -2.228 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.504 -2.454 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.107 -1.769 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.356 -2.800 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.292 -4.187 -6.027 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.784 -4.133 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.388 -0.002 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.227 -0.101 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.600 -0.797 -4.495 1.00 0.00 H new ATOM 521 N GLN A 32 5.634 -4.624 -6.513 1.00 0.00 N ATOM 522 CA GLN A 32 5.977 -5.662 -7.552 1.00 0.00 C ATOM 523 C GLN A 32 6.809 -6.785 -6.888 1.00 0.00 C ATOM 524 O GLN A 32 6.518 -7.953 -7.046 1.00 0.00 O ATOM 525 CB GLN A 32 6.791 -4.931 -8.631 1.00 0.00 C ATOM 526 CG GLN A 32 5.859 -3.991 -9.398 1.00 0.00 C ATOM 527 CD GLN A 32 6.633 -3.193 -10.454 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.804 -2.902 -10.298 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.013 -2.822 -11.537 1.00 0.00 N ATOM 0 H GLN A 32 6.121 -3.733 -6.616 1.00 0.00 H new ATOM 0 HA GLN A 32 5.092 -6.124 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.603 -4.367 -8.173 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.246 -5.650 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.070 -4.568 -9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.374 -3.306 -8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.031 -3.064 -11.671 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.509 -2.289 -12.251 1.00 0.00 H new ATOM 538 N SER A 33 7.818 -6.418 -6.108 1.00 0.00 N ATOM 539 CA SER A 33 8.666 -7.435 -5.375 1.00 0.00 C ATOM 540 C SER A 33 7.902 -8.046 -4.175 1.00 0.00 C ATOM 541 O SER A 33 8.182 -9.151 -3.757 1.00 0.00 O ATOM 542 CB SER A 33 9.912 -6.666 -4.892 1.00 0.00 C ATOM 543 OG SER A 33 9.540 -5.409 -4.331 1.00 0.00 O ATOM 0 H SER A 33 8.091 -5.448 -5.948 1.00 0.00 H new ATOM 0 HA SER A 33 8.930 -8.270 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.446 -7.258 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.596 -6.510 -5.726 1.00 0.00 H new ATOM 0 HG SER A 33 8.594 -5.432 -4.075 1.00 0.00 H new ATOM 549 N LEU A 34 6.958 -7.315 -3.623 1.00 0.00 N ATOM 550 CA LEU A 34 6.162 -7.786 -2.442 1.00 0.00 C ATOM 551 C LEU A 34 5.007 -8.711 -2.880 1.00 0.00 C ATOM 552 O LEU A 34 4.821 -9.768 -2.305 1.00 0.00 O ATOM 553 CB LEU A 34 5.655 -6.476 -1.815 1.00 0.00 C ATOM 554 CG LEU A 34 4.959 -6.715 -0.479 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.982 -6.976 0.608 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.165 -5.471 -0.108 1.00 0.00 C ATOM 0 H LEU A 34 6.700 -6.385 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 34 6.741 -8.385 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.494 -5.795 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.963 -5.989 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 34 4.302 -7.580 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.471 -7.145 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.570 -7.857 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.643 -6.114 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.663 -5.631 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.841 -4.620 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.422 -5.270 -0.880 1.00 0.00 H new ATOM 568 N LYS A 35 4.239 -8.326 -3.897 1.00 0.00 N ATOM 569 CA LYS A 35 3.098 -9.196 -4.378 1.00 0.00 C ATOM 570 C LYS A 35 3.645 -10.519 -4.954 1.00 0.00 C ATOM 571 O LYS A 35 2.986 -11.542 -4.878 1.00 0.00 O ATOM 572 CB LYS A 35 2.318 -8.371 -5.441 1.00 0.00 C ATOM 573 CG LYS A 35 1.194 -7.582 -4.773 1.00 0.00 C ATOM 574 CD LYS A 35 -0.111 -7.773 -5.552 1.00 0.00 C ATOM 575 CE LYS A 35 -1.298 -7.751 -4.576 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.716 -9.176 -4.410 1.00 0.00 N ATOM 0 H LYS A 35 4.356 -7.451 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 35 2.428 -9.470 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.997 -7.689 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.905 -9.037 -6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.065 -7.916 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.453 -6.524 -4.735 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.223 -6.983 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.089 -8.719 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.010 -7.314 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.116 -7.147 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.442 -9.241 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.105 -9.530 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.892 -9.750 -4.140 1.00 0.00 H new ATOM 590 N ASP A 36 4.852 -10.509 -5.504 1.00 0.00 N ATOM 591 CA ASP A 36 5.459 -11.767 -6.060 1.00 0.00 C ATOM 592 C ASP A 36 6.309 -12.511 -5.001 1.00 0.00 C ATOM 593 O ASP A 36 6.345 -13.731 -5.000 1.00 0.00 O ATOM 594 CB ASP A 36 6.332 -11.312 -7.239 1.00 0.00 C ATOM 595 CG ASP A 36 5.441 -10.994 -8.449 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.169 -11.907 -9.213 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.041 -9.850 -8.588 1.00 0.00 O ATOM 0 H ASP A 36 5.438 -9.679 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 36 4.688 -12.472 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.909 -10.431 -6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.048 -12.093 -7.497 1.00 0.00 H new ATOM 602 N ASP A 37 6.988 -11.801 -4.104 1.00 0.00 N ATOM 603 CA ASP A 37 7.830 -12.492 -3.057 1.00 0.00 C ATOM 604 C ASP A 37 7.273 -12.236 -1.639 1.00 0.00 C ATOM 605 O ASP A 37 7.502 -11.181 -1.066 1.00 0.00 O ATOM 606 CB ASP A 37 9.250 -11.908 -3.195 1.00 0.00 C ATOM 607 CG ASP A 37 10.282 -12.947 -2.730 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.235 -13.333 -1.569 1.00 0.00 O ATOM 609 OD2 ASP A 37 11.104 -13.335 -3.539 1.00 0.00 O ATOM 0 H ASP A 37 6.992 -10.782 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 37 7.826 -13.572 -3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.441 -11.630 -4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.340 -10.999 -2.600 1.00 0.00 H new ATOM 614 N PRO A 38 6.560 -13.223 -1.111 1.00 0.00 N ATOM 615 CA PRO A 38 5.974 -13.109 0.260 1.00 0.00 C ATOM 616 C PRO A 38 7.059 -13.138 1.361 1.00 0.00 C ATOM 617 O PRO A 38 6.961 -12.418 2.336 1.00 0.00 O ATOM 618 CB PRO A 38 5.065 -14.336 0.355 1.00 0.00 C ATOM 619 CG PRO A 38 5.647 -15.320 -0.600 1.00 0.00 C ATOM 620 CD PRO A 38 6.219 -14.517 -1.729 1.00 0.00 C ATOM 0 HA PRO A 38 5.449 -12.166 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.044 -14.735 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.037 -14.088 0.089 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.419 -15.920 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.885 -16.011 -0.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.098 -14.999 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.498 -14.395 -2.537 1.00 0.00 H new ATOM 628 N SER A 39 8.076 -13.974 1.215 1.00 0.00 N ATOM 629 CA SER A 39 9.164 -14.062 2.257 1.00 0.00 C ATOM 630 C SER A 39 9.989 -12.766 2.338 1.00 0.00 C ATOM 631 O SER A 39 10.399 -12.367 3.415 1.00 0.00 O ATOM 632 CB SER A 39 10.049 -15.238 1.827 1.00 0.00 C ATOM 633 OG SER A 39 10.932 -15.579 2.889 1.00 0.00 O ATOM 0 H SER A 39 8.197 -14.598 0.418 1.00 0.00 H new ATOM 0 HA SER A 39 8.739 -14.207 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.430 -16.096 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.619 -14.972 0.937 1.00 0.00 H new ATOM 0 HG SER A 39 10.411 -15.800 3.689 1.00 0.00 H new ATOM 639 N GLN A 40 10.229 -12.102 1.220 1.00 0.00 N ATOM 640 CA GLN A 40 11.025 -10.828 1.248 1.00 0.00 C ATOM 641 C GLN A 40 10.156 -9.625 1.671 1.00 0.00 C ATOM 642 O GLN A 40 10.645 -8.525 1.697 1.00 0.00 O ATOM 643 CB GLN A 40 11.523 -10.618 -0.191 1.00 0.00 C ATOM 644 CG GLN A 40 12.849 -9.852 -0.172 1.00 0.00 C ATOM 645 CD GLN A 40 13.147 -9.289 -1.566 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.205 -10.022 -2.535 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.351 -8.006 -1.710 1.00 0.00 N ATOM 0 H GLN A 40 9.908 -12.389 0.296 1.00 0.00 H new ATOM 0 HA GLN A 40 11.839 -10.900 1.969 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.655 -11.581 -0.684 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.780 -10.065 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.800 -9.041 0.554 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.656 -10.513 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.303 -7.388 -0.900 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.558 -7.623 -2.632 1.00 0.00 H new ATOM 656 N SER A 41 8.875 -9.813 1.963 1.00 0.00 N ATOM 657 CA SER A 41 7.988 -8.650 2.326 1.00 0.00 C ATOM 658 C SER A 41 8.528 -7.812 3.494 1.00 0.00 C ATOM 659 O SER A 41 8.574 -6.602 3.384 1.00 0.00 O ATOM 660 CB SER A 41 6.627 -9.261 2.678 1.00 0.00 C ATOM 661 OG SER A 41 6.726 -10.048 3.863 1.00 0.00 O ATOM 0 H SER A 41 8.412 -10.722 1.964 1.00 0.00 H new ATOM 0 HA SER A 41 7.930 -7.953 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.892 -8.469 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.274 -9.879 1.852 1.00 0.00 H new ATOM 0 HG SER A 41 6.823 -10.993 3.621 1.00 0.00 H new ATOM 667 N ALA A 42 8.946 -8.412 4.599 1.00 0.00 N ATOM 668 CA ALA A 42 9.499 -7.565 5.717 1.00 0.00 C ATOM 669 C ALA A 42 10.742 -6.824 5.223 1.00 0.00 C ATOM 670 O ALA A 42 10.855 -5.628 5.398 1.00 0.00 O ATOM 671 CB ALA A 42 9.912 -8.511 6.814 1.00 0.00 C ATOM 0 H ALA A 42 8.929 -9.417 4.770 1.00 0.00 H new ATOM 0 HA ALA A 42 8.760 -6.842 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.321 -7.943 7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.044 -9.079 7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.670 -9.197 6.436 1.00 0.00 H new ATOM 677 N ASN A 43 11.646 -7.538 4.563 1.00 0.00 N ATOM 678 CA ASN A 43 12.868 -6.890 3.983 1.00 0.00 C ATOM 679 C ASN A 43 12.432 -5.799 3.025 1.00 0.00 C ATOM 680 O ASN A 43 13.042 -4.770 2.963 1.00 0.00 O ATOM 681 CB ASN A 43 13.586 -7.959 3.171 1.00 0.00 C ATOM 682 CG ASN A 43 14.853 -8.427 3.899 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.921 -8.441 3.325 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.782 -8.813 5.148 1.00 0.00 N ATOM 0 H ASN A 43 11.581 -8.544 4.406 1.00 0.00 H new ATOM 0 HA ASN A 43 13.502 -6.473 4.766 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.921 -8.806 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.848 -7.564 2.190 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.623 -9.124 5.634 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.886 -8.803 5.635 1.00 0.00 H new ATOM 691 N LEU A 44 11.362 -6.044 2.288 1.00 0.00 N ATOM 692 CA LEU A 44 10.834 -5.034 1.327 1.00 0.00 C ATOM 693 C LEU A 44 10.385 -3.822 2.060 1.00 0.00 C ATOM 694 O LEU A 44 10.707 -2.726 1.660 1.00 0.00 O ATOM 695 CB LEU A 44 9.680 -5.690 0.608 1.00 0.00 C ATOM 696 CG LEU A 44 10.267 -6.552 -0.478 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.138 -7.313 -1.146 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.009 -5.636 -1.454 1.00 0.00 C ATOM 0 H LEU A 44 10.833 -6.916 2.320 1.00 0.00 H new ATOM 0 HA LEU A 44 11.598 -4.716 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.087 -6.290 1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.013 -4.939 0.185 1.00 0.00 H new ATOM 0 HG LEU A 44 10.976 -7.283 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.543 -7.944 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.632 -7.936 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.426 -6.607 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.446 -6.234 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.310 -4.916 -1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.800 -5.105 -0.925 1.00 0.00 H new ATOM 710 N LEU A 45 9.701 -3.993 3.162 1.00 0.00 N ATOM 711 CA LEU A 45 9.341 -2.790 3.929 1.00 0.00 C ATOM 712 C LEU A 45 10.635 -2.198 4.468 1.00 0.00 C ATOM 713 O LEU A 45 10.867 -1.052 4.287 1.00 0.00 O ATOM 714 CB LEU A 45 8.411 -3.221 5.043 1.00 0.00 C ATOM 715 CG LEU A 45 8.277 -2.105 6.088 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.987 -0.761 5.398 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.139 -2.458 7.039 1.00 0.00 C ATOM 0 H LEU A 45 9.390 -4.886 3.545 1.00 0.00 H new ATOM 0 HA LEU A 45 8.833 -2.036 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.431 -3.464 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.793 -4.126 5.515 1.00 0.00 H new ATOM 0 HG LEU A 45 9.210 -2.011 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.894 0.022 6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.804 -0.517 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.057 -0.835 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.033 -1.672 7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.210 -2.551 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.359 -3.404 7.534 1.00 0.00 H new ATOM 729 N ALA A 46 11.492 -2.992 5.083 1.00 0.00 N ATOM 730 CA ALA A 46 12.801 -2.446 5.601 1.00 0.00 C ATOM 731 C ALA A 46 13.566 -1.701 4.508 1.00 0.00 C ATOM 732 O ALA A 46 14.068 -0.636 4.755 1.00 0.00 O ATOM 733 CB ALA A 46 13.626 -3.664 5.976 1.00 0.00 C ATOM 0 H ALA A 46 11.344 -3.988 5.248 1.00 0.00 H new ATOM 0 HA ALA A 46 12.621 -1.758 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.594 -3.343 6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.102 -4.237 6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.775 -4.288 5.095 1.00 0.00 H new ATOM 739 N GLU A 47 13.648 -2.245 3.306 1.00 0.00 N ATOM 740 CA GLU A 47 14.365 -1.524 2.210 1.00 0.00 C ATOM 741 C GLU A 47 13.533 -0.299 1.828 1.00 0.00 C ATOM 742 O GLU A 47 14.086 0.748 1.579 1.00 0.00 O ATOM 743 CB GLU A 47 14.622 -2.504 1.051 1.00 0.00 C ATOM 744 CG GLU A 47 13.362 -3.111 0.498 1.00 0.00 C ATOM 745 CD GLU A 47 13.750 -4.301 -0.390 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.962 -4.099 -1.573 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.848 -5.401 0.136 1.00 0.00 O ATOM 0 H GLU A 47 13.251 -3.148 3.046 1.00 0.00 H new ATOM 0 HA GLU A 47 15.345 -1.160 2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.147 -1.981 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.280 -3.301 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.711 -3.438 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.806 -2.372 -0.079 1.00 0.00 H new ATOM 754 N ALA A 48 12.206 -0.391 1.860 1.00 0.00 N ATOM 755 CA ALA A 48 11.380 0.818 1.607 1.00 0.00 C ATOM 756 C ALA A 48 11.598 1.832 2.760 1.00 0.00 C ATOM 757 O ALA A 48 11.723 3.017 2.530 1.00 0.00 O ATOM 758 CB ALA A 48 9.951 0.297 1.612 1.00 0.00 C ATOM 0 H ALA A 48 11.683 -1.246 2.049 1.00 0.00 H new ATOM 0 HA ALA A 48 11.627 1.328 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.262 1.122 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.834 -0.451 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.732 -0.154 2.580 1.00 0.00 H new ATOM 764 N LYS A 49 11.706 1.338 3.990 1.00 0.00 N ATOM 765 CA LYS A 49 11.983 2.198 5.188 1.00 0.00 C ATOM 766 C LYS A 49 13.383 2.789 5.008 1.00 0.00 C ATOM 767 O LYS A 49 13.627 3.959 5.236 1.00 0.00 O ATOM 768 CB LYS A 49 11.965 1.210 6.382 1.00 0.00 C ATOM 769 CG LYS A 49 10.553 0.669 6.628 1.00 0.00 C ATOM 770 CD LYS A 49 9.609 1.788 7.029 1.00 0.00 C ATOM 771 CE LYS A 49 9.973 2.276 8.427 1.00 0.00 C ATOM 772 NZ LYS A 49 8.966 3.328 8.761 1.00 0.00 N ATOM 0 H LYS A 49 11.609 0.346 4.207 1.00 0.00 H new ATOM 0 HA LYS A 49 11.273 3.012 5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.646 0.382 6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.327 1.712 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.183 0.181 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.580 -0.088 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.676 2.609 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.578 1.434 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.940 1.459 9.148 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.985 2.681 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.160 3.705 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.024 4.098 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.012 2.914 8.741 1.00 0.00 H new ATOM 786 N LYS A 50 14.272 1.944 4.535 1.00 0.00 N ATOM 787 CA LYS A 50 15.680 2.319 4.230 1.00 0.00 C ATOM 788 C LYS A 50 15.682 3.390 3.128 1.00 0.00 C ATOM 789 O LYS A 50 16.441 4.333 3.184 1.00 0.00 O ATOM 790 CB LYS A 50 16.290 0.976 3.762 1.00 0.00 C ATOM 791 CG LYS A 50 17.518 1.147 2.859 1.00 0.00 C ATOM 792 CD LYS A 50 17.596 -0.066 1.911 1.00 0.00 C ATOM 793 CE LYS A 50 18.026 -1.317 2.699 1.00 0.00 C ATOM 794 NZ LYS A 50 18.248 -2.378 1.670 1.00 0.00 N ATOM 0 H LYS A 50 14.060 0.965 4.342 1.00 0.00 H new ATOM 0 HA LYS A 50 16.241 2.750 5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.570 0.388 4.636 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.530 0.407 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.442 2.072 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.424 1.218 3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.627 -0.236 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.307 0.132 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.935 -1.128 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.257 -1.616 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.543 -3.259 2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.365 -2.544 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.990 -2.071 1.009 1.00 0.00 H new ATOM 808 N LEU A 51 14.809 3.250 2.146 1.00 0.00 N ATOM 809 CA LEU A 51 14.718 4.261 1.043 1.00 0.00 C ATOM 810 C LEU A 51 14.105 5.555 1.571 1.00 0.00 C ATOM 811 O LEU A 51 14.535 6.633 1.224 1.00 0.00 O ATOM 812 CB LEU A 51 13.790 3.638 -0.008 1.00 0.00 C ATOM 813 CG LEU A 51 14.577 2.991 -1.157 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.886 2.373 -0.663 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.722 1.892 -1.765 1.00 0.00 C ATOM 0 H LEU A 51 14.154 2.472 2.066 1.00 0.00 H new ATOM 0 HA LEU A 51 15.698 4.502 0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.157 2.888 0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.128 4.406 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 51 14.817 3.762 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.416 1.924 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.507 3.148 -0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.668 1.606 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.265 1.420 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.493 1.146 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.794 2.320 -2.144 1.00 0.00 H new ATOM 827 N ASN A 52 13.101 5.441 2.412 1.00 0.00 N ATOM 828 CA ASN A 52 12.438 6.646 2.988 1.00 0.00 C ATOM 829 C ASN A 52 13.449 7.494 3.781 1.00 0.00 C ATOM 830 O ASN A 52 13.442 8.705 3.690 1.00 0.00 O ATOM 831 CB ASN A 52 11.348 6.099 3.911 1.00 0.00 C ATOM 832 CG ASN A 52 10.443 7.242 4.353 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.744 7.821 3.548 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.436 7.601 5.605 1.00 0.00 N ATOM 0 H ASN A 52 12.712 4.551 2.724 1.00 0.00 H new ATOM 0 HA ASN A 52 12.028 7.295 2.215 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.765 5.338 3.393 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.798 5.619 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.842 8.371 5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.025 7.112 6.279 1.00 0.00 H new ATOM 841 N ASP A 53 14.313 6.854 4.549 1.00 0.00 N ATOM 842 CA ASP A 53 15.341 7.602 5.357 1.00 0.00 C ATOM 843 C ASP A 53 16.568 7.969 4.499 1.00 0.00 C ATOM 844 O ASP A 53 17.100 9.059 4.619 1.00 0.00 O ATOM 845 CB ASP A 53 15.750 6.654 6.499 1.00 0.00 C ATOM 846 CG ASP A 53 14.540 6.307 7.393 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.766 7.200 7.712 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.417 5.148 7.753 1.00 0.00 O ATOM 0 H ASP A 53 14.349 5.840 4.650 1.00 0.00 H new ATOM 0 HA ASP A 53 14.934 8.540 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.173 5.740 6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.529 7.120 7.101 1.00 0.00 H new ATOM 853 N ALA A 54 17.021 7.071 3.638 1.00 0.00 N ATOM 854 CA ALA A 54 18.215 7.367 2.765 1.00 0.00 C ATOM 855 C ALA A 54 17.870 8.464 1.745 1.00 0.00 C ATOM 856 O ALA A 54 18.631 9.394 1.548 1.00 0.00 O ATOM 857 CB ALA A 54 18.545 6.051 2.050 1.00 0.00 C ATOM 0 H ALA A 54 16.613 6.146 3.504 1.00 0.00 H new ATOM 0 HA ALA A 54 19.062 7.728 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.406 6.197 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.776 5.283 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.688 5.736 1.455 1.00 0.00 H new ATOM 863 N GLN A 55 16.706 8.372 1.127 1.00 0.00 N ATOM 864 CA GLN A 55 16.268 9.417 0.140 1.00 0.00 C ATOM 865 C GLN A 55 15.614 10.620 0.870 1.00 0.00 C ATOM 866 O GLN A 55 15.279 11.610 0.240 1.00 0.00 O ATOM 867 CB GLN A 55 15.226 8.739 -0.764 1.00 0.00 C ATOM 868 CG GLN A 55 15.816 7.498 -1.460 1.00 0.00 C ATOM 869 CD GLN A 55 14.728 6.825 -2.309 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.568 6.554 -1.771 1.00 0.00 O flip ATOM 871 NE2 GLN A 55 14.935 6.545 -3.471 1.00 0.00 N flip ATOM 0 H GLN A 55 16.040 7.612 1.267 1.00 0.00 H new ATOM 0 HA GLN A 55 17.118 9.797 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.359 8.449 -0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.875 9.448 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.658 7.786 -2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.198 6.798 -0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.839 6.756 -3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.205 6.099 -4.026 1.00 0.00 H new ATOM 880 N ALA A 56 15.414 10.535 2.186 1.00 0.00 N ATOM 881 CA ALA A 56 14.762 11.657 2.955 1.00 0.00 C ATOM 882 C ALA A 56 15.531 12.975 2.834 1.00 0.00 C ATOM 883 O ALA A 56 16.735 12.982 2.627 1.00 0.00 O ATOM 884 CB ALA A 56 14.750 11.233 4.426 1.00 0.00 C ATOM 0 H ALA A 56 15.679 9.730 2.754 1.00 0.00 H new ATOM 0 HA ALA A 56 13.763 11.829 2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.286 12.015 5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.183 10.308 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.773 11.073 4.767 1.00 0.00 H new ATOM 890 N PRO A 57 14.794 14.057 2.991 1.00 0.00 N ATOM 891 CA PRO A 57 15.396 15.411 2.919 1.00 0.00 C ATOM 892 C PRO A 57 16.243 15.707 4.174 1.00 0.00 C ATOM 893 O PRO A 57 15.950 15.226 5.259 1.00 0.00 O ATOM 894 CB PRO A 57 14.184 16.337 2.845 1.00 0.00 C ATOM 895 CG PRO A 57 13.075 15.575 3.493 1.00 0.00 C ATOM 896 CD PRO A 57 13.339 14.120 3.240 1.00 0.00 C ATOM 0 HA PRO A 57 16.073 15.530 2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.373 17.277 3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.941 16.587 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.039 15.780 4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.111 15.870 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.054 13.508 4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.772 13.755 2.384 1.00 0.00 H new ATOM 904 N LYS A 58 17.285 16.499 4.023 1.00 0.00 N ATOM 905 CA LYS A 58 18.166 16.847 5.187 1.00 0.00 C ATOM 906 C LYS A 58 18.637 18.312 5.092 1.00 0.00 C ATOM 907 O LYS A 58 19.146 18.700 4.048 1.00 0.00 O ATOM 908 CB LYS A 58 19.357 15.878 5.093 1.00 0.00 C ATOM 909 CG LYS A 58 20.216 15.990 6.355 1.00 0.00 C ATOM 910 CD LYS A 58 21.445 15.085 6.225 1.00 0.00 C ATOM 911 CE LYS A 58 22.258 15.122 7.528 1.00 0.00 C ATOM 912 NZ LYS A 58 23.197 16.278 7.387 1.00 0.00 N ATOM 913 OXT LYS A 58 18.479 19.023 6.071 1.00 0.00 O ATOM 0 H LYS A 58 17.563 16.921 3.137 1.00 0.00 H new ATOM 0 HA LYS A 58 17.644 16.753 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.998 14.856 4.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.956 16.108 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.528 17.024 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.633 15.704 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.134 14.063 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.064 15.414 5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.606 15.250 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.804 14.190 7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.781 16.358 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.812 16.127 6.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.652 17.154 7.257 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -3.196 -15.106 -18.764 1.00 0.00 N ATOM 929 CA VAL B 1 -3.910 -13.836 -18.378 1.00 0.00 C ATOM 930 C VAL B 1 -2.925 -12.832 -17.746 1.00 0.00 C ATOM 931 O VAL B 1 -1.883 -13.210 -17.235 1.00 0.00 O ATOM 932 CB VAL B 1 -5.023 -14.212 -17.365 1.00 0.00 C ATOM 933 CG1 VAL B 1 -6.136 -15.000 -18.071 1.00 0.00 C ATOM 934 CG2 VAL B 1 -4.460 -15.053 -16.205 1.00 0.00 C ATOM 0 H1 VAL B 1 -3.855 -15.908 -18.700 1.00 0.00 H new ATOM 0 H2 VAL B 1 -2.844 -15.024 -19.739 1.00 0.00 H new ATOM 0 H3 VAL B 1 -2.395 -15.264 -18.120 1.00 0.00 H new ATOM 0 HA VAL B 1 -4.342 -13.362 -19.260 1.00 0.00 H new ATOM 0 HB VAL B 1 -5.429 -13.286 -16.958 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -6.912 -15.259 -17.350 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -6.567 -14.390 -18.865 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -5.720 -15.912 -18.500 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -5.264 -15.301 -15.512 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -4.025 -15.971 -16.599 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -3.692 -14.483 -15.682 1.00 0.00 H new ATOM 946 N ASP B 2 -3.259 -11.556 -17.779 1.00 0.00 N ATOM 947 CA ASP B 2 -2.355 -10.513 -17.184 1.00 0.00 C ATOM 948 C ASP B 2 -2.588 -10.405 -15.668 1.00 0.00 C ATOM 949 O ASP B 2 -3.691 -10.139 -15.218 1.00 0.00 O ATOM 950 CB ASP B 2 -2.720 -9.195 -17.887 1.00 0.00 C ATOM 951 CG ASP B 2 -1.718 -8.101 -17.491 1.00 0.00 C ATOM 952 OD1 ASP B 2 -0.695 -7.997 -18.147 1.00 0.00 O ATOM 953 OD2 ASP B 2 -1.991 -7.390 -16.537 1.00 0.00 O ATOM 0 H ASP B 2 -4.118 -11.194 -18.192 1.00 0.00 H new ATOM 0 HA ASP B 2 -1.303 -10.761 -17.325 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -2.712 -9.334 -18.968 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -3.730 -8.893 -17.612 1.00 0.00 H new ATOM 958 N ASN B 3 -1.546 -10.600 -14.888 1.00 0.00 N ATOM 959 CA ASN B 3 -1.664 -10.505 -13.393 1.00 0.00 C ATOM 960 C ASN B 3 -0.787 -9.352 -12.859 1.00 0.00 C ATOM 961 O ASN B 3 -0.034 -9.509 -11.910 1.00 0.00 O ATOM 962 CB ASN B 3 -1.222 -11.887 -12.851 1.00 0.00 C ATOM 963 CG ASN B 3 0.264 -12.165 -13.162 1.00 0.00 C ATOM 964 OD1 ASN B 3 0.634 -12.351 -14.305 1.00 0.00 O ATOM 965 ND2 ASN B 3 1.130 -12.201 -12.187 1.00 0.00 N ATOM 0 H ASN B 3 -0.610 -10.823 -15.227 1.00 0.00 H new ATOM 0 HA ASN B 3 -2.679 -10.278 -13.067 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -1.383 -11.925 -11.774 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -1.840 -12.668 -13.294 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.114 -12.385 -12.385 1.00 0.00 H new ATOM 0 HD22 ASN B 3 0.824 -12.045 -11.227 1.00 0.00 H new ATOM 972 N LYS B 4 -0.895 -8.185 -13.466 1.00 0.00 N ATOM 973 CA LYS B 4 -0.083 -6.997 -13.015 1.00 0.00 C ATOM 974 C LYS B 4 -0.854 -6.169 -11.965 1.00 0.00 C ATOM 975 O LYS B 4 -0.918 -4.950 -12.040 1.00 0.00 O ATOM 976 CB LYS B 4 0.186 -6.180 -14.292 1.00 0.00 C ATOM 977 CG LYS B 4 1.104 -6.973 -15.230 1.00 0.00 C ATOM 978 CD LYS B 4 1.451 -6.125 -16.455 1.00 0.00 C ATOM 979 CE LYS B 4 2.298 -6.954 -17.429 1.00 0.00 C ATOM 980 NZ LYS B 4 1.950 -6.453 -18.792 1.00 0.00 N ATOM 0 H LYS B 4 -1.513 -8.004 -14.257 1.00 0.00 H new ATOM 0 HA LYS B 4 0.847 -7.298 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.754 -5.953 -14.794 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.649 -5.227 -14.035 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.015 -7.260 -14.705 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.612 -7.894 -15.542 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.539 -5.787 -16.947 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.998 -5.233 -16.150 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.362 -6.831 -17.226 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.077 -8.017 -17.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.650 -6.799 -19.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 1.005 -6.797 -19.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.951 -5.413 -18.790 1.00 0.00 H new ATOM 994 N PHE B 5 -1.423 -6.833 -10.971 1.00 0.00 N ATOM 995 CA PHE B 5 -2.181 -6.124 -9.884 1.00 0.00 C ATOM 996 C PHE B 5 -1.258 -5.220 -9.046 1.00 0.00 C ATOM 997 O PHE B 5 -1.713 -4.273 -8.434 1.00 0.00 O ATOM 998 CB PHE B 5 -2.779 -7.242 -9.024 1.00 0.00 C ATOM 999 CG PHE B 5 -3.951 -7.877 -9.746 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.200 -7.240 -9.751 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -3.786 -9.100 -10.412 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.281 -7.824 -10.419 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -4.869 -9.682 -11.081 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.116 -9.045 -11.084 1.00 0.00 C ATOM 0 H PHE B 5 -1.391 -7.848 -10.871 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.946 -5.465 -10.294 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.020 -7.995 -8.812 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.106 -6.840 -8.065 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.327 -6.298 -9.239 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -2.825 -9.592 -10.409 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.243 -7.333 -10.422 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -4.743 -10.623 -11.595 1.00 0.00 H new ATOM 0 HZ PHE B 5 -6.951 -9.496 -11.600 1.00 0.00 H new ATOM 1014 N ASN B 6 0.030 -5.512 -9.022 1.00 0.00 N ATOM 1015 CA ASN B 6 1.013 -4.672 -8.237 1.00 0.00 C ATOM 1016 C ASN B 6 0.962 -3.195 -8.674 1.00 0.00 C ATOM 1017 O ASN B 6 1.030 -2.300 -7.847 1.00 0.00 O ATOM 1018 CB ASN B 6 2.420 -5.274 -8.485 1.00 0.00 C ATOM 1019 CG ASN B 6 2.655 -5.567 -9.984 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.058 -4.616 -10.781 1.00 0.00 O flip ATOM 1021 ND2 ASN B 6 2.457 -6.680 -10.429 1.00 0.00 N flip ATOM 0 H ASN B 6 0.447 -6.301 -9.516 1.00 0.00 H new ATOM 0 HA ASN B 6 0.765 -4.688 -7.176 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.181 -4.582 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.529 -6.195 -7.912 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.142 -7.428 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.606 -6.867 -11.421 1.00 0.00 H new ATOM 1028 N LYS B 7 0.797 -2.943 -9.954 1.00 0.00 N ATOM 1029 CA LYS B 7 0.690 -1.527 -10.446 1.00 0.00 C ATOM 1030 C LYS B 7 -0.609 -0.905 -9.934 1.00 0.00 C ATOM 1031 O LYS B 7 -0.664 0.269 -9.614 1.00 0.00 O ATOM 1032 CB LYS B 7 0.685 -1.589 -11.979 1.00 0.00 C ATOM 1033 CG LYS B 7 1.677 -0.557 -12.548 1.00 0.00 C ATOM 1034 CD LYS B 7 1.294 0.863 -12.093 1.00 0.00 C ATOM 1035 CE LYS B 7 2.332 1.873 -12.603 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.395 2.947 -11.561 1.00 0.00 N ATOM 0 H LYS B 7 0.732 -3.657 -10.680 1.00 0.00 H new ATOM 0 HA LYS B 7 1.519 -0.916 -10.089 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.957 -2.590 -12.312 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.318 -1.389 -12.357 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.688 -0.792 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.680 -0.608 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.305 1.122 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS B 7 1.239 0.903 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS B 7 3.305 1.401 -12.738 1.00 0.00 H new ATOM 0 HE3 LYS B 7 2.039 2.282 -13.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 3.209 3.566 -11.750 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.520 3.508 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.500 2.513 -10.622 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.641 -1.708 -9.841 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.953 -1.220 -9.323 1.00 0.00 C ATOM 1052 C GLU B 8 -2.834 -0.824 -7.855 1.00 0.00 C ATOM 1053 O GLU B 8 -3.448 0.129 -7.442 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.936 -2.382 -9.502 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.957 -2.034 -10.587 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.187 -2.947 -10.462 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.039 -4.150 -10.625 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.261 -2.426 -10.206 1.00 0.00 O ATOM 0 H GLU B 8 -1.627 -2.693 -10.106 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.292 -0.333 -9.859 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.396 -3.289 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.447 -2.587 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.257 -0.990 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.506 -2.150 -11.573 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.019 -1.510 -7.077 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.848 -1.106 -5.639 1.00 0.00 C ATOM 1067 C LEU B 9 -1.038 0.189 -5.564 1.00 0.00 C ATOM 1068 O LEU B 9 -1.158 0.944 -4.621 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.081 -2.195 -4.898 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.638 -3.597 -5.164 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.606 -4.635 -4.679 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.959 -3.752 -4.385 1.00 0.00 C ATOM 0 H LEU B 9 -1.473 -2.320 -7.371 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.830 -0.960 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.033 -2.162 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.114 -1.993 -3.827 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.826 -3.748 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.987 -5.640 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.330 -4.498 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.430 -4.502 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.371 -4.745 -4.562 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.770 -3.622 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.671 -2.998 -4.722 1.00 0.00 H new ATOM 1084 N SER B 10 -0.226 0.454 -6.565 1.00 0.00 N ATOM 1085 CA SER B 10 0.568 1.709 -6.582 1.00 0.00 C ATOM 1086 C SER B 10 -0.422 2.887 -6.674 1.00 0.00 C ATOM 1087 O SER B 10 -0.366 3.822 -5.896 1.00 0.00 O ATOM 1088 CB SER B 10 1.476 1.581 -7.832 1.00 0.00 C ATOM 1089 OG SER B 10 1.316 2.692 -8.711 1.00 0.00 O ATOM 0 H SER B 10 -0.085 -0.155 -7.371 1.00 0.00 H new ATOM 0 HA SER B 10 1.181 1.878 -5.696 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.518 1.510 -7.520 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.238 0.659 -8.363 1.00 0.00 H new ATOM 0 HG SER B 10 0.846 2.403 -9.521 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.360 2.804 -7.606 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.388 3.887 -7.775 1.00 0.00 C ATOM 1097 C VAL B 11 -3.498 3.747 -6.718 1.00 0.00 C ATOM 1098 O VAL B 11 -3.811 4.690 -6.016 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.958 3.691 -9.200 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.845 4.883 -9.571 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.813 3.569 -10.221 1.00 0.00 C ATOM 0 H VAL B 11 -1.453 2.025 -8.258 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.959 4.881 -7.646 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.549 2.775 -9.217 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.244 4.741 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.668 4.959 -8.861 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.255 5.799 -9.542 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.229 3.431 -11.219 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.210 4.476 -10.201 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.189 2.712 -9.967 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.088 2.570 -6.608 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.187 2.334 -5.611 1.00 0.00 C ATOM 1113 C ALA B 12 -4.687 2.454 -4.181 1.00 0.00 C ATOM 1114 O ALA B 12 -5.248 3.173 -3.379 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.682 0.902 -5.862 1.00 0.00 C ATOM 0 H ALA B 12 -3.849 1.756 -7.175 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.975 3.077 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.486 0.668 -5.165 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.052 0.819 -6.884 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.860 0.202 -5.716 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.644 1.743 -3.872 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.074 1.737 -2.505 1.00 0.00 C ATOM 1123 C GLY B 13 -2.635 3.117 -2.070 1.00 0.00 C ATOM 1124 O GLY B 13 -3.060 3.586 -1.035 1.00 0.00 O ATOM 0 H GLY B 13 -3.148 1.147 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.816 1.355 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.222 1.057 -2.470 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.760 3.748 -2.821 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.253 5.090 -2.383 1.00 0.00 C ATOM 1130 C ARG B 14 -2.386 6.135 -2.273 1.00 0.00 C ATOM 1131 O ARG B 14 -2.398 6.925 -1.347 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.186 5.521 -3.392 1.00 0.00 C ATOM 1133 CG ARG B 14 1.049 6.027 -2.641 1.00 0.00 C ATOM 1134 CD ARG B 14 0.682 7.191 -1.720 1.00 0.00 C ATOM 1135 NE ARG B 14 1.916 7.432 -0.927 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.324 8.651 -0.683 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.403 9.108 -1.272 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.659 9.409 0.157 1.00 0.00 N ATOM 0 H ARG B 14 -1.381 3.400 -3.702 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.828 5.018 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.083 4.682 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.578 6.305 -4.040 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.482 5.216 -2.055 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.809 6.347 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.396 8.075 -2.290 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.162 6.940 -1.077 1.00 0.00 H new ATOM 0 HE ARG B 14 2.450 6.640 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.922 8.514 -1.918 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.723 10.058 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.825 9.048 0.619 1.00 0.00 H new ATOM 0 HH22 ARG B 14 1.977 10.359 0.348 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.350 6.134 -3.180 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.486 7.122 -3.062 1.00 0.00 C ATOM 1154 C GLU B 15 -5.299 6.807 -1.791 1.00 0.00 C ATOM 1155 O GLU B 15 -5.656 7.697 -1.045 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.341 6.952 -4.320 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.647 7.599 -5.530 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.463 9.109 -5.300 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.464 9.792 -5.121 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.329 9.553 -5.297 1.00 0.00 O ATOM 0 H GLU B 15 -3.399 5.505 -3.981 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.132 8.150 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.509 5.892 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.319 7.408 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.677 7.129 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.240 7.431 -6.429 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.527 5.529 -1.522 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.246 5.103 -0.269 1.00 0.00 C ATOM 1169 C ILE B 16 -5.368 5.441 0.967 1.00 0.00 C ATOM 1170 O ILE B 16 -5.875 5.709 2.040 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.478 3.583 -0.446 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.600 3.383 -1.478 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.899 2.927 0.874 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.459 2.040 -2.191 1.00 0.00 C ATOM 0 H ILE B 16 -5.241 4.759 -2.127 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.195 5.615 -0.109 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.548 3.121 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.569 3.434 -0.981 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.574 4.191 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.054 1.860 0.717 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.117 3.074 1.619 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.826 3.380 1.226 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.266 1.926 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.500 2.001 -2.708 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.510 1.233 -1.460 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.055 5.456 0.793 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.099 5.805 1.904 1.00 0.00 C ATOM 1188 C VAL B 17 -3.198 7.297 2.271 1.00 0.00 C ATOM 1189 O VAL B 17 -2.991 7.657 3.418 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.684 5.481 1.347 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.578 6.193 2.137 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.434 3.983 1.412 1.00 0.00 C ATOM 0 H VAL B 17 -3.601 5.236 -0.093 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.323 5.245 2.812 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.656 5.833 0.316 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.393 5.938 1.713 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.727 7.271 2.080 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.614 5.876 3.179 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.441 3.763 1.020 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.498 3.648 2.447 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.183 3.463 0.815 1.00 0.00 H new ATOM 1202 N THR B 18 -3.446 8.174 1.310 1.00 0.00 N ATOM 1203 CA THR B 18 -3.472 9.636 1.640 1.00 0.00 C ATOM 1204 C THR B 18 -4.636 10.428 0.987 1.00 0.00 C ATOM 1205 O THR B 18 -4.464 11.605 0.704 1.00 0.00 O ATOM 1206 CB THR B 18 -2.085 10.145 1.170 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.860 11.468 1.654 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.976 10.128 -0.367 1.00 0.00 C ATOM 0 H THR B 18 -3.627 7.940 0.334 1.00 0.00 H new ATOM 0 HA THR B 18 -3.654 9.790 2.704 1.00 0.00 H new ATOM 0 HB THR B 18 -1.326 9.475 1.574 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.669 12.006 1.524 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.992 10.490 -0.666 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.113 9.110 -0.730 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.745 10.772 -0.793 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.824 9.851 0.782 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.937 10.699 0.197 1.00 0.00 C ATOM 1218 C LEU B 19 -7.269 11.850 1.194 1.00 0.00 C ATOM 1219 O LEU B 19 -6.951 11.759 2.371 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.129 9.776 -0.120 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.523 8.908 1.072 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.035 8.964 1.225 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.101 7.457 0.820 1.00 0.00 C ATOM 0 H LEU B 19 -6.058 8.879 0.984 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.648 11.178 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.983 10.381 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.875 9.136 -0.965 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.031 9.273 1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.338 8.349 2.073 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.346 9.995 1.395 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.507 8.588 0.317 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.385 6.842 1.674 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.597 7.084 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.021 7.411 0.683 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.789 12.946 0.663 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.026 14.198 1.472 1.00 0.00 C ATOM 1237 C PRO B 20 -8.931 14.078 2.720 1.00 0.00 C ATOM 1238 O PRO B 20 -8.810 14.910 3.605 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.621 15.169 0.446 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.187 14.295 -0.619 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.241 13.132 -0.727 1.00 0.00 C ATOM 0 HA PRO B 20 -7.088 14.512 1.930 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.392 15.796 0.895 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.859 15.838 0.046 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.192 13.961 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.263 14.829 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.738 12.242 -1.113 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.409 13.349 -1.397 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.833 13.118 2.820 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.718 13.070 4.051 1.00 0.00 C ATOM 1251 C ASN B 21 -10.677 11.719 4.798 1.00 0.00 C ATOM 1252 O ASN B 21 -11.556 11.451 5.603 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.141 13.314 3.540 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.313 14.700 2.899 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.535 15.608 3.122 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.332 14.904 2.114 1.00 0.00 N ATOM 0 H ASN B 21 -9.995 12.386 2.129 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.371 13.813 4.769 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.397 12.546 2.810 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.842 13.212 4.368 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.474 15.821 1.690 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.988 14.147 1.923 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.694 10.869 4.567 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.663 9.555 5.305 1.00 0.00 C ATOM 1265 C LEU B 22 -8.715 9.613 6.502 1.00 0.00 C ATOM 1266 O LEU B 22 -7.811 10.429 6.567 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.159 8.510 4.318 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.743 7.128 4.648 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.968 6.849 3.771 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.675 6.061 4.389 1.00 0.00 C ATOM 0 H LEU B 22 -8.927 11.023 3.913 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.657 9.316 5.683 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.438 8.796 3.304 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.070 8.468 4.349 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.047 7.105 5.694 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.373 5.867 4.014 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.727 7.610 3.953 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.676 6.872 2.721 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.081 5.076 4.621 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.375 6.093 3.341 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.808 6.254 5.020 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.914 8.711 7.427 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.027 8.631 8.643 1.00 0.00 C ATOM 1284 C ASN B 23 -7.101 7.397 8.549 1.00 0.00 C ATOM 1285 O ASN B 23 -7.362 6.476 7.795 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.962 8.586 9.873 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.825 7.310 9.915 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.896 6.566 8.964 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.503 7.034 10.997 1.00 0.00 N ATOM 0 H ASN B 23 -9.659 8.015 7.398 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.365 9.493 8.723 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.364 8.645 10.782 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.613 9.460 9.862 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.085 6.197 11.034 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -10.450 7.655 11.804 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.000 7.408 9.280 1.00 0.00 N ATOM 1297 CA ASP B 24 -4.992 6.281 9.218 1.00 0.00 C ATOM 1298 C ASP B 24 -5.549 4.848 9.490 1.00 0.00 C ATOM 1299 O ASP B 24 -5.066 3.925 8.859 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.844 6.651 10.190 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.311 6.685 11.651 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.805 7.721 12.072 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.154 5.680 12.327 1.00 0.00 O ATOM 0 H ASP B 24 -5.753 8.158 9.925 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.647 6.201 8.187 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.035 5.928 10.086 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.439 7.625 9.917 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.510 4.657 10.402 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.017 3.270 10.662 1.00 0.00 C ATOM 1310 C PRO B 25 -7.860 2.721 9.488 1.00 0.00 C ATOM 1311 O PRO B 25 -7.756 1.546 9.166 1.00 0.00 O ATOM 1312 CB PRO B 25 -7.868 3.423 11.919 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.295 4.853 11.928 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.206 5.643 11.254 1.00 0.00 C ATOM 0 HA PRO B 25 -6.202 2.556 10.778 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.729 2.755 11.896 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.297 3.176 12.814 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.242 4.976 11.402 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.449 5.203 12.949 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.617 6.460 10.661 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.528 6.087 11.983 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.689 3.541 8.846 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.519 3.016 7.705 1.00 0.00 C ATOM 1324 C GLN B 26 -8.625 2.672 6.510 1.00 0.00 C ATOM 1325 O GLN B 26 -8.749 1.593 5.968 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.571 4.088 7.377 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.577 4.147 8.543 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.810 4.964 8.154 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -13.815 4.409 7.765 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.786 6.263 8.249 1.00 0.00 N ATOM 0 H GLN B 26 -8.819 4.529 9.063 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.028 2.089 7.971 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.094 5.058 7.237 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.082 3.846 6.445 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -11.877 3.137 8.822 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.102 4.591 9.418 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.943 6.735 8.576 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.610 6.808 7.997 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.688 3.541 6.134 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.747 3.194 4.998 1.00 0.00 C ATOM 1341 C LYS B 27 -5.949 1.943 5.348 1.00 0.00 C ATOM 1342 O LYS B 27 -5.662 1.140 4.490 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.772 4.356 4.754 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.222 4.988 6.039 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.572 6.333 5.694 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.652 7.369 5.329 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.173 8.668 5.890 1.00 0.00 N ATOM 0 H LYS B 27 -7.539 4.457 6.558 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.336 3.013 4.099 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.938 3.996 4.152 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.278 5.125 4.171 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.025 5.132 6.762 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.492 4.325 6.502 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.987 6.690 6.542 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.881 6.208 4.860 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.783 7.434 4.249 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.618 7.093 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.962 9.345 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.809 8.517 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.414 9.047 5.288 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.600 1.777 6.606 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.836 0.561 7.040 1.00 0.00 C ATOM 1363 C LYS B 28 -5.625 -0.700 6.645 1.00 0.00 C ATOM 1364 O LYS B 28 -5.161 -1.491 5.857 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.726 0.665 8.574 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.271 0.839 8.980 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.625 -0.533 9.154 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.147 -0.469 8.757 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.474 -1.582 9.493 1.00 0.00 N ATOM 0 H LYS B 28 -5.814 2.437 7.354 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.852 0.500 6.575 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.316 1.509 8.933 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.137 -0.232 9.038 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.736 1.411 8.222 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.207 1.404 9.910 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.718 -0.859 10.190 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.144 -1.269 8.540 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.027 -0.585 7.680 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.713 0.494 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.530 -1.349 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.930 -1.712 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.553 -2.460 8.942 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.841 -0.858 7.151 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.681 -2.050 6.761 1.00 0.00 C ATOM 1385 C ALA B 29 -7.952 -2.030 5.241 1.00 0.00 C ATOM 1386 O ALA B 29 -8.042 -3.068 4.607 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.991 -1.903 7.542 1.00 0.00 C ATOM 0 H ALA B 29 -7.282 -0.217 7.811 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.184 -2.993 6.988 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.651 -2.738 7.306 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.779 -1.899 8.611 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.477 -0.967 7.265 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.067 -0.844 4.666 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.316 -0.690 3.190 1.00 0.00 C ATOM 1395 C PHE B 30 -7.157 -1.267 2.376 1.00 0.00 C ATOM 1396 O PHE B 30 -7.349 -2.126 1.544 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.377 0.827 2.961 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.696 1.221 2.386 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.905 1.109 1.016 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.705 1.711 3.220 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.129 1.487 0.472 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.929 2.088 2.675 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.142 1.976 1.302 1.00 0.00 C ATOM 0 H PHE B 30 -7.997 0.039 5.172 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.222 -1.212 2.883 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.215 1.349 3.904 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.576 1.131 2.287 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.121 0.730 0.377 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.536 1.797 4.283 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.296 1.403 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.712 2.467 3.315 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.092 2.268 0.879 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.958 -0.794 2.629 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.756 -1.302 1.902 1.00 0.00 C ATOM 1415 C ILE B 31 -4.611 -2.801 2.159 1.00 0.00 C ATOM 1416 O ILE B 31 -4.301 -3.554 1.264 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.570 -0.543 2.513 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.504 0.873 1.893 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.247 -1.316 2.287 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.067 1.293 1.658 1.00 0.00 C ATOM 0 H ILE B 31 -5.762 -0.068 3.318 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.820 -1.152 0.824 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.712 -0.454 3.590 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.050 0.887 0.950 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -3.992 1.588 2.555 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.420 -0.759 2.728 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.315 -2.298 2.756 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.074 -1.436 1.218 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.047 2.292 1.222 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.530 1.300 2.607 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.589 0.589 0.976 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.824 -3.219 3.388 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.699 -4.663 3.726 1.00 0.00 C ATOM 1434 C PHE B 32 -5.737 -5.481 2.915 1.00 0.00 C ATOM 1435 O PHE B 32 -5.424 -6.572 2.465 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.873 -4.740 5.261 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.524 -4.432 5.935 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.879 -3.163 5.767 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.875 -5.431 6.714 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.657 -2.933 6.365 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.645 -5.166 7.281 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.048 -3.934 7.113 1.00 0.00 C ATOM 0 H PHE B 32 -5.080 -2.614 4.169 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.737 -5.099 3.457 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.630 -4.028 5.590 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.221 -5.731 5.551 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.347 -2.391 5.175 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.343 -6.393 6.861 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.173 -1.974 6.252 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.146 -5.929 7.860 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.089 -3.743 7.571 1.00 0.00 H new ATOM 1452 N SER B 33 -6.932 -4.941 2.640 1.00 0.00 N ATOM 1453 CA SER B 33 -7.905 -5.695 1.765 1.00 0.00 C ATOM 1454 C SER B 33 -7.471 -5.531 0.281 1.00 0.00 C ATOM 1455 O SER B 33 -7.585 -6.451 -0.506 1.00 0.00 O ATOM 1456 CB SER B 33 -9.299 -5.092 2.032 1.00 0.00 C ATOM 1457 OG SER B 33 -9.431 -3.833 1.392 1.00 0.00 O ATOM 0 H SER B 33 -7.258 -4.036 2.979 1.00 0.00 H new ATOM 0 HA SER B 33 -7.926 -6.763 1.982 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.070 -5.772 1.670 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.452 -4.978 3.105 1.00 0.00 H new ATOM 0 HG SER B 33 -8.605 -3.318 1.509 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.923 -4.368 -0.070 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.402 -4.105 -1.466 1.00 0.00 C ATOM 1465 C LEU B 34 -5.228 -5.060 -1.764 1.00 0.00 C ATOM 1466 O LEU B 34 -5.123 -5.602 -2.851 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.957 -2.617 -1.422 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.029 -2.230 -2.570 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.837 -2.007 -3.853 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.304 -0.930 -2.208 1.00 0.00 C ATOM 0 H LEU B 34 -6.816 -3.580 0.569 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.134 -4.277 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.841 -1.980 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.453 -2.424 -0.475 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.311 -3.033 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.163 -1.731 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.364 -2.924 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.559 -1.206 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.638 -0.646 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.036 -0.139 -2.044 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.721 -1.079 -1.299 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.370 -5.281 -0.786 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.214 -6.215 -0.955 1.00 0.00 C ATOM 1484 C TRP B 35 -3.703 -7.665 -1.129 1.00 0.00 C ATOM 1485 O TRP B 35 -3.216 -8.390 -1.977 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.409 -6.111 0.340 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.181 -6.936 0.181 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.925 -8.095 0.822 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.064 -6.704 -0.710 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.282 -8.584 0.382 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.860 -7.751 -0.552 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.236 -5.684 -1.621 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.043 -7.783 -1.281 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.424 -5.713 -2.349 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.322 -6.755 -2.178 1.00 0.00 C ATOM 0 H TRP B 35 -4.429 -4.844 0.134 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.628 -5.956 -1.837 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.148 -5.073 0.545 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.999 -6.464 1.186 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.563 -8.561 1.559 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.699 -9.456 0.707 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.458 -4.869 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.740 -8.598 -1.153 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.646 -4.921 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.242 -6.770 -2.743 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.655 -8.083 -0.309 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.184 -9.479 -0.383 1.00 0.00 C ATOM 1508 C ASP B 36 -5.983 -9.681 -1.668 1.00 0.00 C ATOM 1509 O ASP B 36 -5.882 -10.717 -2.302 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.095 -9.639 0.846 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.234 -11.124 1.196 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.129 -11.758 0.664 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.437 -11.599 1.989 1.00 0.00 O ATOM 0 H ASP B 36 -5.085 -7.503 0.412 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.380 -10.215 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.679 -9.093 1.693 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.076 -9.210 0.642 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.785 -8.703 -2.049 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.597 -8.842 -3.283 1.00 0.00 C ATOM 1520 C ASP B 37 -7.497 -7.576 -4.156 1.00 0.00 C ATOM 1521 O ASP B 37 -8.409 -6.759 -4.162 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.050 -9.076 -2.811 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.122 -10.252 -1.822 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.997 -11.382 -2.262 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.297 -9.995 -0.643 1.00 0.00 O ATOM 0 H ASP B 37 -6.903 -7.821 -1.550 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.242 -9.668 -3.900 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.433 -8.172 -2.337 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.688 -9.279 -3.671 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.404 -7.459 -4.905 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.236 -6.297 -5.822 1.00 0.00 C ATOM 1532 C PRO B 38 -7.252 -6.335 -6.985 1.00 0.00 C ATOM 1533 O PRO B 38 -7.349 -5.382 -7.734 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.815 -6.411 -6.319 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.483 -7.863 -6.176 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.239 -8.357 -4.971 1.00 0.00 C ATOM 0 HA PRO B 38 -6.420 -5.348 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.730 -6.085 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.138 -5.790 -5.732 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.772 -8.417 -7.069 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.410 -8.005 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.541 -9.398 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.635 -8.298 -4.066 1.00 0.00 H new ATOM 1544 N SER B 39 -8.058 -7.387 -7.114 1.00 0.00 N ATOM 1545 CA SER B 39 -9.126 -7.389 -8.181 1.00 0.00 C ATOM 1546 C SER B 39 -10.065 -6.203 -7.870 1.00 0.00 C ATOM 1547 O SER B 39 -10.512 -5.493 -8.753 1.00 0.00 O ATOM 1548 CB SER B 39 -9.867 -8.723 -8.031 1.00 0.00 C ATOM 1549 OG SER B 39 -10.265 -9.187 -9.314 1.00 0.00 O ATOM 0 H SER B 39 -8.019 -8.226 -6.535 1.00 0.00 H new ATOM 0 HA SER B 39 -8.739 -7.287 -9.195 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.222 -9.458 -7.550 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.740 -8.597 -7.390 1.00 0.00 H new ATOM 0 HG SER B 39 -10.737 -10.041 -9.221 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.294 -5.969 -6.584 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.125 -4.813 -6.107 1.00 0.00 C ATOM 1557 C GLN B 40 -10.272 -3.530 -5.972 1.00 0.00 C ATOM 1558 O GLN B 40 -10.768 -2.539 -5.512 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.588 -5.219 -4.697 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.882 -6.019 -4.751 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.601 -7.449 -5.236 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.953 -7.806 -6.342 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -11.976 -8.289 -4.450 1.00 0.00 N ATOM 0 H GLN B 40 -9.926 -6.552 -5.832 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.939 -4.606 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -10.811 -5.811 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -11.734 -4.327 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -13.343 -6.046 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -13.591 -5.533 -5.421 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -11.679 -7.993 -3.520 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.786 -9.240 -4.767 1.00 0.00 H new ATOM 1572 N SER B 41 -8.996 -3.561 -6.328 1.00 0.00 N ATOM 1573 CA SER B 41 -8.087 -2.360 -6.179 1.00 0.00 C ATOM 1574 C SER B 41 -8.692 -1.080 -6.780 1.00 0.00 C ATOM 1575 O SER B 41 -8.714 -0.052 -6.125 1.00 0.00 O ATOM 1576 CB SER B 41 -6.826 -2.758 -6.920 1.00 0.00 C ATOM 1577 OG SER B 41 -5.902 -1.683 -6.952 1.00 0.00 O ATOM 0 H SER B 41 -8.539 -4.383 -6.722 1.00 0.00 H new ATOM 0 HA SER B 41 -7.913 -2.120 -5.130 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.370 -3.621 -6.435 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.076 -3.059 -7.937 1.00 0.00 H new ATOM 0 HG SER B 41 -5.917 -1.265 -7.838 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.207 -1.138 -7.997 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.842 0.083 -8.609 1.00 0.00 C ATOM 1585 C ALA B 42 -11.062 0.478 -7.762 1.00 0.00 C ATOM 1586 O ALA B 42 -11.240 1.636 -7.417 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.263 -0.329 -10.026 1.00 0.00 C ATOM 0 H ALA B 42 -9.214 -1.971 -8.586 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.169 0.939 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.733 0.518 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.384 -0.642 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -10.971 -1.156 -9.969 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.873 -0.501 -7.384 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.056 -0.237 -6.511 1.00 0.00 C ATOM 1595 C ASN B 43 -12.601 0.241 -5.114 1.00 0.00 C ATOM 1596 O ASN B 43 -13.294 1.005 -4.479 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.803 -1.577 -6.405 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.139 -1.374 -5.679 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.264 -1.697 -4.515 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.150 -0.848 -6.319 1.00 0.00 N ATOM 0 H ASN B 43 -11.754 -1.478 -7.652 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.693 0.546 -6.923 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.978 -1.985 -7.400 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.193 -2.302 -5.866 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.040 -0.710 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.049 -0.575 -7.297 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.443 -0.211 -4.642 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.931 0.207 -3.293 1.00 0.00 C ATOM 1609 C LEU B 44 -10.586 1.686 -3.302 1.00 0.00 C ATOM 1610 O LEU B 44 -11.029 2.434 -2.460 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.688 -0.653 -3.055 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.070 -1.844 -2.182 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.434 -3.124 -2.739 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.588 -1.567 -0.754 1.00 0.00 C ATOM 0 H LEU B 44 -10.834 -0.856 -5.145 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.669 0.066 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.281 -0.998 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.910 -0.064 -2.570 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.151 -1.984 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.711 -3.971 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.789 -3.294 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.349 -3.018 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.851 -2.407 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.506 -1.435 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.064 -0.661 -0.379 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.827 2.102 -4.277 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.465 3.554 -4.413 1.00 0.00 C ATOM 1628 C LEU B 45 -10.761 4.384 -4.442 1.00 0.00 C ATOM 1629 O LEU B 45 -10.885 5.376 -3.747 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.721 3.678 -5.752 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.589 4.699 -5.629 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -6.969 4.933 -7.006 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.135 6.012 -5.076 1.00 0.00 C ATOM 0 H LEU B 45 -9.434 1.496 -4.997 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.848 3.911 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.317 2.709 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.414 3.984 -6.536 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.828 4.318 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.161 5.660 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.573 3.993 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.730 5.312 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.324 6.736 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.899 6.401 -5.749 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.572 5.839 -4.093 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.744 3.932 -5.205 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.070 4.634 -5.256 1.00 0.00 C ATOM 1647 C ALA B 46 -13.721 4.570 -3.865 1.00 0.00 C ATOM 1648 O ALA B 46 -14.213 5.560 -3.362 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.894 3.836 -6.265 1.00 0.00 C ATOM 0 H ALA B 46 -11.678 3.103 -5.795 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.989 5.683 -5.539 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.883 4.284 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.393 3.847 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.994 2.807 -5.920 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.681 3.400 -3.239 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.243 3.218 -1.861 1.00 0.00 C ATOM 1657 C GLU B 47 -13.534 4.170 -0.876 1.00 0.00 C ATOM 1658 O GLU B 47 -14.138 4.652 0.061 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.953 1.748 -1.497 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.909 1.287 -0.380 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.352 1.175 -0.907 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.544 0.674 -2.010 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.247 1.603 -0.195 1.00 0.00 O ATOM 0 H GLU B 47 -13.274 2.555 -3.640 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.309 3.442 -1.815 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.075 1.115 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.919 1.642 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.583 0.322 0.009 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -14.874 1.993 0.450 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.259 4.446 -1.111 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.478 5.378 -0.233 1.00 0.00 C ATOM 1672 C ALA B 48 -12.087 6.784 -0.330 1.00 0.00 C ATOM 1673 O ALA B 48 -12.463 7.358 0.673 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.036 5.355 -0.782 1.00 0.00 C ATOM 0 H ALA B 48 -11.726 4.055 -1.888 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.496 5.086 0.817 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.409 6.017 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.643 4.339 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.036 5.693 -1.818 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.225 7.318 -1.537 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.854 8.677 -1.716 1.00 0.00 C ATOM 1682 C LYS B 49 -14.317 8.649 -1.244 1.00 0.00 C ATOM 1683 O LYS B 49 -14.755 9.537 -0.546 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.787 8.974 -3.217 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.371 9.439 -3.586 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.624 8.324 -4.323 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.421 8.907 -5.082 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.356 9.131 -4.050 1.00 0.00 N ATOM 0 H LYS B 49 -11.928 6.868 -2.403 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.338 9.440 -1.133 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.048 8.082 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.513 9.743 -3.479 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.424 10.328 -4.214 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.825 9.718 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.285 7.571 -3.612 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.296 7.824 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.077 8.221 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.687 9.840 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.459 9.365 -4.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.635 9.916 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.234 8.267 -3.484 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.062 7.619 -1.600 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.499 7.512 -1.144 1.00 0.00 C ATOM 1704 C LYS B 50 -16.556 7.536 0.396 1.00 0.00 C ATOM 1705 O LYS B 50 -17.391 8.203 0.980 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.010 6.166 -1.683 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.206 6.251 -3.206 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.378 4.841 -3.791 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.765 4.282 -3.434 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.510 3.100 -2.555 1.00 0.00 N ATOM 0 H LYS B 50 -14.739 6.849 -2.185 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.108 8.339 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.299 5.375 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.952 5.905 -1.201 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.081 6.858 -3.435 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.348 6.742 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.258 4.872 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -16.602 4.182 -3.403 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.368 5.030 -2.919 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.313 3.992 -4.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.416 2.673 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -17.941 2.399 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.995 3.405 -1.705 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.641 6.834 1.044 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.585 6.823 2.544 1.00 0.00 C ATOM 1726 C LEU B 51 -15.093 8.183 3.073 1.00 0.00 C ATOM 1727 O LEU B 51 -15.606 8.676 4.063 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.592 5.700 2.899 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.606 5.438 4.412 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.938 4.095 4.702 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.870 6.558 5.160 1.00 0.00 C ATOM 0 H LEU B 51 -14.927 6.265 0.589 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.563 6.653 2.993 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.856 4.789 2.362 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.588 5.979 2.580 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.640 5.414 4.756 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.947 3.908 5.776 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.481 3.300 4.191 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.908 4.117 4.347 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.890 6.355 6.231 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -12.836 6.605 4.819 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.360 7.511 4.962 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.108 8.786 2.419 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.573 10.124 2.864 1.00 0.00 C ATOM 1745 C ASN B 52 -14.726 11.139 3.011 1.00 0.00 C ATOM 1746 O ASN B 52 -14.680 12.021 3.846 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.526 10.515 1.768 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.951 11.651 0.790 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -14.096 11.854 0.474 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.030 12.395 0.257 1.00 0.00 N ATOM 0 H ASN B 52 -13.652 8.402 1.591 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.100 10.102 3.846 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.605 10.817 2.266 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.295 9.626 1.182 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.286 13.125 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.051 12.249 0.503 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.761 11.000 2.197 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.921 11.930 2.259 1.00 0.00 C ATOM 1759 C ASP B 53 -17.666 11.802 3.601 1.00 0.00 C ATOM 1760 O ASP B 53 -18.220 12.769 4.094 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.845 11.508 1.111 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.847 12.628 0.807 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.505 13.508 0.032 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.937 12.585 1.349 1.00 0.00 O ATOM 0 H ASP B 53 -15.839 10.270 1.489 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.597 12.967 2.174 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.255 11.285 0.222 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.377 10.595 1.378 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.683 10.611 4.187 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.394 10.407 5.494 1.00 0.00 C ATOM 1771 C ALA B 54 -17.730 11.228 6.616 1.00 0.00 C ATOM 1772 O ALA B 54 -18.401 11.739 7.495 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.281 8.906 5.768 1.00 0.00 C ATOM 0 H ALA B 54 -17.233 9.777 3.810 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.432 10.738 5.455 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.777 8.670 6.709 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.756 8.352 4.958 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.230 8.626 5.832 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.419 11.366 6.573 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.684 12.162 7.608 1.00 0.00 C ATOM 1781 C GLN B 55 -15.619 13.647 7.211 1.00 0.00 C ATOM 1782 O GLN B 55 -15.665 14.520 8.062 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.285 11.536 7.643 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.323 10.255 8.481 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.058 9.442 8.217 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.355 9.069 9.135 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.733 9.159 6.989 1.00 0.00 N ATOM 0 H GLN B 55 -15.824 10.954 5.854 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.172 12.135 8.582 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.949 11.312 6.631 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.570 12.240 8.067 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.396 10.502 9.540 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.206 9.668 8.229 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.324 9.473 6.220 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.887 8.623 6.796 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.501 13.935 5.925 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.415 15.357 5.454 1.00 0.00 C ATOM 1798 C ALA B 56 -16.009 15.508 4.040 1.00 0.00 C ATOM 1799 O ALA B 56 -16.033 14.557 3.292 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.920 15.642 5.423 1.00 0.00 C ATOM 0 H ALA B 56 -15.461 13.237 5.182 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.971 16.040 6.097 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.752 16.666 5.088 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.504 15.514 6.422 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.432 14.951 4.736 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.451 16.712 3.707 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.030 16.965 2.356 1.00 0.00 C ATOM 1808 C PRO B 57 -15.921 16.975 1.286 1.00 0.00 C ATOM 1809 O PRO B 57 -14.810 17.417 1.539 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.672 18.344 2.491 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.923 19.011 3.596 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.454 17.928 4.533 1.00 0.00 C ATOM 0 HA PRO B 57 -17.741 16.200 2.046 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.592 18.909 1.562 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.733 18.264 2.725 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.076 19.573 3.202 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.562 19.723 4.119 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.461 18.145 4.926 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.121 17.826 5.389 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.224 16.501 0.098 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.197 16.482 -1.006 1.00 0.00 C ATOM 1822 C LYS B 58 -15.014 17.893 -1.597 1.00 0.00 C ATOM 1823 O LYS B 58 -13.879 18.336 -1.667 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.734 15.512 -2.073 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.651 14.070 -1.564 1.00 0.00 C ATOM 1826 CD LYS B 58 -16.134 13.115 -2.662 1.00 0.00 C ATOM 1827 CE LYS B 58 -16.206 11.684 -2.110 1.00 0.00 C ATOM 1828 NZ LYS B 58 -17.637 11.271 -2.240 1.00 0.00 N ATOM 1829 OXT LYS B 58 -16.008 18.508 -1.963 1.00 0.00 O ATOM 0 H LYS B 58 -17.137 16.126 -0.158 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.222 16.163 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.767 15.761 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -15.157 15.615 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.626 13.830 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -16.262 13.952 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -17.115 13.426 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -15.455 13.152 -3.514 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.553 11.015 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.881 11.649 -1.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.788 10.377 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -18.249 12.008 -1.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.871 11.140 -3.245 1.00 0.00 H new TER 1843 LYS B 58