USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 GLN : amide:sc= -5.1! C(o=-5.1!,f=-3.4!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= -2.19 K(o=-3.5,f=-4.6) USER MOD Set 2.2: A 11 LYS NZ :NH3+ -114:sc= -1.34 (180deg=-4.89!) USER MOD Single : A 10 SER OG : rot 96:sc= 1.23 USER MOD Single : A 14 ASN : amide:sc= -5.8! C(o=-5.8!,f=-15!) USER MOD Single : A 20 LYS NZ :NH3+ -179:sc= -0.838 (180deg=-0.847) USER MOD Single : A 22 SER OG : rot -3:sc= -2.25! USER MOD Single : A 25 CYS SG : rot 16:sc= 0.0116 USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.334 (180deg=-1.01) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.493 USER MOD Single : A 30 THR OG1 : rot 60:sc= 0.131 USER MOD Single : A 37 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-6.1!) USER MOD Single : A 41 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 46 ASN : amide:sc= -8.37! C(o=-8.4!,f=-23!) USER MOD Single : A 48 CYS SG : rot -44:sc= -5.51! USER MOD Single : A 53 SER OG : rot 72:sc= 1.1 USER MOD Single : A 60 THR OG1 : rot 110:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -3.37! K(o=-3.4!,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.32! K(o=-1.3!,f=0) USER MOD Single : A 72 SER OG : rot 110:sc= -0.362 USER MOD Single : A 74 GLN : amide:sc= -0.953 K(o=-0.95,f=-1.7!) USER MOD Single : A 77 GLN : amide:sc= -3.6! K(o=-3.6!,f=-2.5) USER MOD Single : A 79 GLN : amide:sc= -7.8! C(o=-7.8!,f=-3!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 134:sc= -0.309 (180deg=-2.61!) USER MOD Single : A 104 ASN : amide:sc= -0.0356 K(o=-0.036,f=-1.8!) USER MOD Single : A 107 CYS SG : rot -63:sc= -14.6! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -5! C(o=-5!,f=-5.6!) USER MOD Single : A 122 MET CE :methyl -162:sc= -0.557 (180deg=-1.18) USER MOD Single : A 124 CYS SG : rot 180:sc= -2.04 USER MOD Single : A 133 GLN : amide:sc= -0.0042 X(o=-0.0042,f=-0.24) USER MOD Single : A 134 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.2) USER MOD Single : A 140 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.2) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -16.803 -24.341 -0.540 1.00 0.00 N ATOM 2 CA VAL A 4 -15.720 -23.533 -1.161 1.00 0.00 C ATOM 3 C VAL A 4 -14.779 -24.457 -1.919 1.00 0.00 C ATOM 4 O VAL A 4 -14.559 -25.590 -1.533 1.00 0.00 O ATOM 5 CB VAL A 4 -14.934 -22.804 -0.067 1.00 0.00 C ATOM 6 CG1 VAL A 4 -14.115 -21.662 -0.689 1.00 0.00 C ATOM 7 CG2 VAL A 4 -15.922 -22.240 0.956 1.00 0.00 C ATOM 0 HA VAL A 4 -16.156 -22.805 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.251 -23.497 0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.558 -21.146 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.419 -22.071 -1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.787 -20.958 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.375 -21.718 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -16.600 -21.544 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.496 -23.056 1.395 1.00 0.00 H new ATOM 17 N VAL A 5 -14.209 -23.980 -2.978 1.00 0.00 N ATOM 18 CA VAL A 5 -13.265 -24.822 -3.746 1.00 0.00 C ATOM 19 C VAL A 5 -11.999 -25.002 -2.894 1.00 0.00 C ATOM 20 O VAL A 5 -11.535 -24.055 -2.290 1.00 0.00 O ATOM 21 CB VAL A 5 -12.945 -24.101 -5.061 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.145 -22.828 -4.780 1.00 0.00 C ATOM 23 CG2 VAL A 5 -12.127 -25.015 -5.971 1.00 0.00 C ATOM 0 H VAL A 5 -14.356 -23.041 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.684 -25.802 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.882 -23.840 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.923 -22.323 -5.720 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.729 -22.165 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.213 -23.087 -4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.904 -24.495 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.195 -25.284 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.697 -25.918 -6.187 1.00 0.00 H new ATOM 33 N PRO A 6 -11.438 -26.189 -2.823 1.00 0.00 N ATOM 34 CA PRO A 6 -10.213 -26.424 -2.005 1.00 0.00 C ATOM 35 C PRO A 6 -8.967 -25.861 -2.675 1.00 0.00 C ATOM 36 O PRO A 6 -7.860 -26.061 -2.216 1.00 0.00 O ATOM 37 CB PRO A 6 -10.130 -27.945 -1.917 1.00 0.00 C ATOM 38 CG PRO A 6 -10.752 -28.422 -3.184 1.00 0.00 C ATOM 39 CD PRO A 6 -11.883 -27.437 -3.490 1.00 0.00 C ATOM 0 HA PRO A 6 -10.267 -25.934 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.097 -28.283 -1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.664 -28.323 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.023 -28.444 -3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.136 -29.436 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.014 -27.295 -4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.838 -27.785 -3.096 1.00 0.00 H new ATOM 47 N ASP A 7 -9.127 -25.171 -3.767 1.00 0.00 N ATOM 48 CA ASP A 7 -7.923 -24.618 -4.450 1.00 0.00 C ATOM 49 C ASP A 7 -7.464 -23.352 -3.716 1.00 0.00 C ATOM 50 O ASP A 7 -6.358 -22.885 -3.911 1.00 0.00 O ATOM 51 CB ASP A 7 -8.233 -24.328 -5.933 1.00 0.00 C ATOM 52 CG ASP A 7 -9.156 -23.112 -6.106 1.00 0.00 C ATOM 53 OD1 ASP A 7 -9.146 -22.240 -5.257 1.00 0.00 O ATOM 54 OD2 ASP A 7 -9.857 -23.075 -7.105 1.00 0.00 O ATOM 0 H ASP A 7 -10.022 -24.967 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.115 -25.349 -4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.301 -24.154 -6.470 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.701 -25.204 -6.383 1.00 0.00 H new ATOM 59 N GLN A 8 -8.283 -22.805 -2.843 1.00 0.00 N ATOM 60 CA GLN A 8 -7.838 -21.591 -2.090 1.00 0.00 C ATOM 61 C GLN A 8 -6.857 -22.041 -1.009 1.00 0.00 C ATOM 62 O GLN A 8 -5.698 -21.690 -1.013 1.00 0.00 O ATOM 63 CB GLN A 8 -9.024 -20.903 -1.391 1.00 0.00 C ATOM 64 CG GLN A 8 -10.175 -20.685 -2.366 1.00 0.00 C ATOM 65 CD GLN A 8 -9.700 -19.803 -3.516 1.00 0.00 C ATOM 66 OE1 GLN A 8 -8.865 -18.943 -3.330 1.00 0.00 O ATOM 67 NE2 GLN A 8 -10.214 -19.976 -4.697 1.00 0.00 N ATOM 0 H GLN A 8 -9.221 -23.141 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.385 -20.890 -2.791 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.362 -21.513 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.704 -19.946 -0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.529 -21.642 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.016 -20.215 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.916 -20.701 -4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.916 -19.387 -5.474 1.00 0.00 H new ATOM 76 N ARG A 9 -7.331 -22.821 -0.079 1.00 0.00 N ATOM 77 CA ARG A 9 -6.453 -23.319 1.017 1.00 0.00 C ATOM 78 C ARG A 9 -5.206 -24.005 0.448 1.00 0.00 C ATOM 79 O ARG A 9 -4.118 -23.882 0.970 1.00 0.00 O ATOM 80 CB ARG A 9 -7.244 -24.361 1.807 1.00 0.00 C ATOM 81 CG ARG A 9 -8.523 -23.750 2.397 1.00 0.00 C ATOM 82 CD ARG A 9 -8.182 -22.802 3.557 1.00 0.00 C ATOM 83 NE ARG A 9 -9.423 -22.499 4.345 1.00 0.00 N ATOM 84 CZ ARG A 9 -10.490 -22.005 3.775 1.00 0.00 C ATOM 85 NH1 ARG A 9 -10.433 -21.556 2.554 1.00 0.00 N ATOM 86 NH2 ARG A 9 -11.598 -21.887 4.459 1.00 0.00 N ATOM 0 H ARG A 9 -8.299 -23.138 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.143 -22.480 1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.502 -25.197 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.624 -24.762 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.064 -23.206 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.183 -24.543 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.432 -23.258 4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.751 -21.879 3.170 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.434 -22.683 5.348 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.553 -21.589 2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.268 -21.171 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.628 -22.180 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.432 -21.502 4.016 1.00 0.00 H new ATOM 100 N SER A 10 -5.378 -24.772 -0.595 1.00 0.00 N ATOM 101 CA SER A 10 -4.229 -25.536 -1.171 1.00 0.00 C ATOM 102 C SER A 10 -3.136 -24.636 -1.748 1.00 0.00 C ATOM 103 O SER A 10 -1.978 -24.766 -1.406 1.00 0.00 O ATOM 104 CB SER A 10 -4.751 -26.444 -2.280 1.00 0.00 C ATOM 105 OG SER A 10 -5.627 -27.408 -1.720 1.00 0.00 O ATOM 0 H SER A 10 -6.268 -24.904 -1.076 1.00 0.00 H new ATOM 0 HA SER A 10 -3.781 -26.107 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.274 -25.854 -3.033 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.920 -26.939 -2.783 1.00 0.00 H new ATOM 0 HG SER A 10 -6.553 -27.102 -1.814 1.00 0.00 H new ATOM 111 N LYS A 11 -3.457 -23.750 -2.637 1.00 0.00 N ATOM 112 CA LYS A 11 -2.379 -22.911 -3.217 1.00 0.00 C ATOM 113 C LYS A 11 -1.726 -22.079 -2.108 1.00 0.00 C ATOM 114 O LYS A 11 -0.526 -21.916 -2.063 1.00 0.00 O ATOM 115 CB LYS A 11 -2.978 -22.018 -4.308 1.00 0.00 C ATOM 116 CG LYS A 11 -3.766 -20.871 -3.677 1.00 0.00 C ATOM 117 CD LYS A 11 -4.574 -20.161 -4.756 1.00 0.00 C ATOM 118 CE LYS A 11 -5.174 -18.880 -4.180 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.049 -18.244 -5.203 1.00 0.00 N ATOM 0 H LYS A 11 -4.399 -23.570 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.607 -23.537 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.183 -21.619 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.631 -22.607 -4.952 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.430 -21.254 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.085 -20.169 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.936 -19.926 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.366 -20.814 -5.122 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.749 -19.106 -3.282 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.380 -18.193 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.637 -17.335 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.128 -18.870 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.994 -18.083 -4.800 1.00 0.00 H new ATOM 133 N PHE A 12 -2.505 -21.560 -1.205 1.00 0.00 N ATOM 134 CA PHE A 12 -1.906 -20.748 -0.108 1.00 0.00 C ATOM 135 C PHE A 12 -0.910 -21.577 0.731 1.00 0.00 C ATOM 136 O PHE A 12 0.152 -21.108 1.078 1.00 0.00 O ATOM 137 CB PHE A 12 -3.011 -20.178 0.801 1.00 0.00 C ATOM 138 CG PHE A 12 -2.399 -19.664 2.096 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.708 -18.437 2.130 1.00 0.00 C ATOM 140 CD2 PHE A 12 -2.511 -20.432 3.262 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.139 -17.993 3.334 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.944 -19.983 4.460 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.260 -18.764 4.495 1.00 0.00 C ATOM 0 H PHE A 12 -3.520 -21.659 -1.176 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.358 -19.925 -0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.534 -19.370 0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.750 -20.949 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.616 -17.841 1.234 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.037 -21.375 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.607 -17.054 3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.035 -20.578 5.357 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.824 -18.417 5.420 1.00 0.00 H new ATOM 153 N GLU A 13 -1.252 -22.769 1.123 1.00 0.00 N ATOM 154 CA GLU A 13 -0.314 -23.541 1.993 1.00 0.00 C ATOM 155 C GLU A 13 0.914 -24.079 1.237 1.00 0.00 C ATOM 156 O GLU A 13 1.916 -24.384 1.852 1.00 0.00 O ATOM 157 CB GLU A 13 -1.066 -24.700 2.645 1.00 0.00 C ATOM 158 CG GLU A 13 -1.510 -25.700 1.577 1.00 0.00 C ATOM 159 CD GLU A 13 -2.293 -26.838 2.232 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.736 -27.488 3.103 1.00 0.00 O ATOM 161 OE2 GLU A 13 -3.432 -27.046 1.849 1.00 0.00 O ATOM 0 H GLU A 13 -2.125 -23.240 0.886 1.00 0.00 H new ATOM 0 HA GLU A 13 0.062 -22.850 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.426 -25.195 3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.934 -24.323 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.130 -25.201 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.641 -26.098 1.053 1.00 0.00 H new ATOM 168 N ASN A 14 0.844 -24.247 -0.065 1.00 0.00 N ATOM 169 CA ASN A 14 2.021 -24.828 -0.818 1.00 0.00 C ATOM 170 C ASN A 14 2.667 -23.821 -1.783 1.00 0.00 C ATOM 171 O ASN A 14 3.682 -24.117 -2.384 1.00 0.00 O ATOM 172 CB ASN A 14 1.531 -26.021 -1.634 1.00 0.00 C ATOM 173 CG ASN A 14 0.411 -25.548 -2.558 1.00 0.00 C ATOM 174 OD1 ASN A 14 0.494 -24.482 -3.131 1.00 0.00 O ATOM 175 ND2 ASN A 14 -0.649 -26.291 -2.717 1.00 0.00 N ATOM 0 H ASN A 14 0.035 -24.012 -0.639 1.00 0.00 H new ATOM 0 HA ASN A 14 2.772 -25.113 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.350 -26.444 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.170 -26.809 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.407 -25.976 -3.323 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.720 -27.188 -2.236 1.00 0.00 H new ATOM 182 N GLU A 15 2.106 -22.657 -1.974 1.00 0.00 N ATOM 183 CA GLU A 15 2.731 -21.697 -2.943 1.00 0.00 C ATOM 184 C GLU A 15 3.943 -21.000 -2.311 1.00 0.00 C ATOM 185 O GLU A 15 3.831 -20.280 -1.337 1.00 0.00 O ATOM 186 CB GLU A 15 1.693 -20.656 -3.375 1.00 0.00 C ATOM 187 CG GLU A 15 0.718 -21.269 -4.390 1.00 0.00 C ATOM 188 CD GLU A 15 1.370 -21.348 -5.770 1.00 0.00 C ATOM 189 OE1 GLU A 15 2.180 -22.234 -5.973 1.00 0.00 O ATOM 190 OE2 GLU A 15 1.037 -20.523 -6.605 1.00 0.00 O ATOM 0 H GLU A 15 1.257 -22.329 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 15 3.073 -22.253 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.144 -20.296 -2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.194 -19.794 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.421 -22.265 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.189 -20.667 -4.443 1.00 0.00 H new ATOM 197 N GLU A 16 5.100 -21.208 -2.885 1.00 0.00 N ATOM 198 CA GLU A 16 6.351 -20.569 -2.369 1.00 0.00 C ATOM 199 C GLU A 16 6.435 -19.107 -2.832 1.00 0.00 C ATOM 200 O GLU A 16 7.300 -18.362 -2.429 1.00 0.00 O ATOM 201 CB GLU A 16 7.559 -21.348 -2.885 1.00 0.00 C ATOM 202 CG GLU A 16 7.616 -21.264 -4.411 1.00 0.00 C ATOM 203 CD GLU A 16 8.742 -22.164 -4.913 1.00 0.00 C ATOM 204 OE1 GLU A 16 9.568 -22.547 -4.104 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.761 -22.455 -6.095 1.00 0.00 O ATOM 0 H GLU A 16 5.234 -21.803 -3.703 1.00 0.00 H new ATOM 0 HA GLU A 16 6.340 -20.585 -1.279 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.475 -20.943 -2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.493 -22.390 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.664 -21.575 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.787 -20.235 -4.726 1.00 0.00 H new ATOM 212 N PHE A 17 5.554 -18.707 -3.694 1.00 0.00 N ATOM 213 CA PHE A 17 5.560 -17.310 -4.215 1.00 0.00 C ATOM 214 C PHE A 17 5.449 -16.274 -3.072 1.00 0.00 C ATOM 215 O PHE A 17 5.758 -15.115 -3.264 1.00 0.00 O ATOM 216 CB PHE A 17 4.374 -17.197 -5.207 1.00 0.00 C ATOM 217 CG PHE A 17 3.732 -15.822 -5.162 1.00 0.00 C ATOM 218 CD1 PHE A 17 4.468 -14.692 -5.516 1.00 0.00 C ATOM 219 CD2 PHE A 17 2.395 -15.691 -4.751 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.875 -13.426 -5.456 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.801 -14.428 -4.695 1.00 0.00 C ATOM 222 CZ PHE A 17 2.539 -13.295 -5.046 1.00 0.00 C ATOM 0 H PHE A 17 4.812 -19.297 -4.071 1.00 0.00 H new ATOM 0 HA PHE A 17 6.502 -17.092 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.725 -17.402 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.628 -17.955 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.494 -14.794 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.826 -16.567 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.445 -12.549 -5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.773 -14.328 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.081 -12.318 -5.002 1.00 0.00 H new ATOM 232 N PHE A 18 4.990 -16.648 -1.907 1.00 0.00 N ATOM 233 CA PHE A 18 4.853 -15.627 -0.822 1.00 0.00 C ATOM 234 C PHE A 18 6.230 -15.183 -0.305 1.00 0.00 C ATOM 235 O PHE A 18 6.553 -14.012 -0.313 1.00 0.00 O ATOM 236 CB PHE A 18 4.036 -16.215 0.334 1.00 0.00 C ATOM 237 CG PHE A 18 2.706 -16.708 -0.186 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.822 -15.819 -0.819 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.352 -18.052 -0.032 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.593 -16.280 -1.296 1.00 0.00 C ATOM 241 CE2 PHE A 18 1.124 -18.506 -0.508 1.00 0.00 C ATOM 242 CZ PHE A 18 0.242 -17.620 -1.142 1.00 0.00 C ATOM 0 H PHE A 18 4.708 -17.597 -1.660 1.00 0.00 H new ATOM 0 HA PHE A 18 4.343 -14.755 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.583 -17.035 0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.880 -15.459 1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.092 -14.780 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.030 -18.737 0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.086 -15.597 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.851 -19.544 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.709 -17.975 -1.511 1.00 0.00 H new ATOM 252 N ARG A 19 7.044 -16.089 0.146 1.00 0.00 N ATOM 253 CA ARG A 19 8.395 -15.690 0.650 1.00 0.00 C ATOM 254 C ARG A 19 9.242 -15.083 -0.477 1.00 0.00 C ATOM 255 O ARG A 19 10.019 -14.173 -0.257 1.00 0.00 O ATOM 256 CB ARG A 19 9.109 -16.910 1.273 1.00 0.00 C ATOM 257 CG ARG A 19 8.572 -18.213 0.646 1.00 0.00 C ATOM 258 CD ARG A 19 7.311 -18.697 1.414 1.00 0.00 C ATOM 259 NE ARG A 19 7.686 -19.743 2.432 1.00 0.00 N ATOM 260 CZ ARG A 19 8.296 -20.849 2.090 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.482 -21.138 0.833 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.687 -21.690 3.010 1.00 0.00 N ATOM 0 H ARG A 19 6.840 -17.087 0.190 1.00 0.00 H new ATOM 0 HA ARG A 19 8.267 -14.929 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.184 -16.835 1.110 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.950 -16.923 2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.326 -18.046 -0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.342 -18.984 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.833 -17.852 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.585 -19.107 0.712 1.00 0.00 H new ATOM 0 HE ARG A 19 7.458 -19.585 3.414 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.151 -20.500 0.109 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.958 -22.002 0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.517 -21.484 3.994 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.163 -22.552 2.744 1.00 0.00 H new ATOM 276 N LYS A 20 9.126 -15.600 -1.671 1.00 0.00 N ATOM 277 CA LYS A 20 9.951 -15.068 -2.797 1.00 0.00 C ATOM 278 C LYS A 20 9.655 -13.592 -3.065 1.00 0.00 C ATOM 279 O LYS A 20 10.526 -12.852 -3.473 1.00 0.00 O ATOM 280 CB LYS A 20 9.682 -15.886 -4.057 1.00 0.00 C ATOM 281 CG LYS A 20 10.262 -17.295 -3.883 1.00 0.00 C ATOM 282 CD LYS A 20 10.215 -18.044 -5.219 1.00 0.00 C ATOM 283 CE LYS A 20 10.790 -19.456 -5.045 1.00 0.00 C ATOM 284 NZ LYS A 20 10.564 -20.237 -6.293 1.00 0.00 N ATOM 0 H LYS A 20 8.498 -16.365 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 20 11.001 -15.151 -2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.610 -15.943 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.132 -15.400 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 20 11.290 -17.234 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.695 -17.841 -3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.187 -18.102 -5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.785 -17.500 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.856 -19.402 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.314 -19.953 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.937 -21.200 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.545 -20.284 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.052 -19.773 -7.086 1.00 0.00 H new ATOM 298 N LEU A 21 8.439 -13.157 -2.850 1.00 0.00 N ATOM 299 CA LEU A 21 8.093 -11.718 -3.107 1.00 0.00 C ATOM 300 C LEU A 21 7.290 -11.147 -1.945 1.00 0.00 C ATOM 301 O LEU A 21 7.506 -10.026 -1.528 1.00 0.00 O ATOM 302 CB LEU A 21 7.266 -11.600 -4.393 1.00 0.00 C ATOM 303 CG LEU A 21 8.144 -11.868 -5.627 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.242 -11.986 -6.859 1.00 0.00 C ATOM 305 CD2 LEU A 21 9.148 -10.711 -5.837 1.00 0.00 C ATOM 0 H LEU A 21 7.669 -13.732 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 21 9.021 -11.156 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.439 -12.310 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.829 -10.604 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 21 8.702 -12.792 -5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.854 -12.176 -7.741 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.541 -12.809 -6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.688 -11.057 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.762 -10.916 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.603 -9.779 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.788 -10.621 -4.959 1.00 0.00 H new ATOM 317 N SER A 22 6.362 -11.889 -1.411 1.00 0.00 N ATOM 318 CA SER A 22 5.566 -11.342 -0.281 1.00 0.00 C ATOM 319 C SER A 22 6.431 -11.356 0.976 1.00 0.00 C ATOM 320 O SER A 22 6.176 -12.064 1.932 1.00 0.00 O ATOM 321 CB SER A 22 4.289 -12.166 -0.087 1.00 0.00 C ATOM 322 OG SER A 22 4.565 -13.289 0.730 1.00 0.00 O ATOM 0 H SER A 22 6.123 -12.837 -1.703 1.00 0.00 H new ATOM 0 HA SER A 22 5.265 -10.316 -0.494 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.515 -11.552 0.372 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.905 -12.493 -1.053 1.00 0.00 H new ATOM 0 HG SER A 22 5.521 -13.311 0.943 1.00 0.00 H new ATOM 328 N ARG A 23 7.469 -10.563 0.959 1.00 0.00 N ATOM 329 CA ARG A 23 8.406 -10.479 2.115 1.00 0.00 C ATOM 330 C ARG A 23 8.908 -9.031 2.188 1.00 0.00 C ATOM 331 O ARG A 23 8.532 -8.210 1.369 1.00 0.00 O ATOM 332 CB ARG A 23 9.583 -11.440 1.856 1.00 0.00 C ATOM 333 CG ARG A 23 10.256 -11.831 3.175 1.00 0.00 C ATOM 334 CD ARG A 23 11.418 -12.788 2.900 1.00 0.00 C ATOM 335 NE ARG A 23 11.845 -13.412 4.190 1.00 0.00 N ATOM 336 CZ ARG A 23 12.638 -14.458 4.195 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.027 -14.994 3.074 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.019 -14.988 5.328 1.00 0.00 N ATOM 0 H ARG A 23 7.711 -9.957 0.175 1.00 0.00 H new ATOM 0 HA ARG A 23 7.923 -10.755 3.052 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.225 -12.334 1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.310 -10.965 1.197 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.620 -10.940 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.531 -12.305 3.837 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.113 -13.558 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.251 -12.250 2.447 1.00 0.00 H new ATOM 0 HE ARG A 23 11.517 -13.022 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.716 -14.601 2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.643 -15.807 3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.700 -14.589 6.211 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.635 -15.801 5.329 1.00 0.00 H new ATOM 352 N GLU A 24 9.741 -8.699 3.143 1.00 0.00 N ATOM 353 CA GLU A 24 10.261 -7.304 3.203 1.00 0.00 C ATOM 354 C GLU A 24 11.034 -7.028 1.910 1.00 0.00 C ATOM 355 O GLU A 24 12.042 -7.646 1.641 1.00 0.00 O ATOM 356 CB GLU A 24 11.172 -7.129 4.433 1.00 0.00 C ATOM 357 CG GLU A 24 12.489 -7.903 4.256 1.00 0.00 C ATOM 358 CD GLU A 24 13.133 -8.142 5.629 1.00 0.00 C ATOM 359 OE1 GLU A 24 12.573 -8.908 6.397 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.171 -7.554 5.890 1.00 0.00 O ATOM 0 H GLU A 24 10.078 -9.326 3.873 1.00 0.00 H new ATOM 0 HA GLU A 24 9.438 -6.596 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.385 -6.071 4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.656 -7.482 5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.299 -8.855 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.170 -7.341 3.616 1.00 0.00 H new ATOM 367 N CYS A 25 10.548 -6.124 1.095 1.00 0.00 N ATOM 368 CA CYS A 25 11.234 -5.815 -0.204 1.00 0.00 C ATOM 369 C CYS A 25 11.375 -4.295 -0.384 1.00 0.00 C ATOM 370 O CYS A 25 10.623 -3.527 0.178 1.00 0.00 O ATOM 371 CB CYS A 25 10.387 -6.395 -1.339 1.00 0.00 C ATOM 372 SG CYS A 25 10.664 -8.181 -1.438 1.00 0.00 S ATOM 0 H CYS A 25 9.702 -5.583 1.272 1.00 0.00 H new ATOM 0 HA CYS A 25 12.232 -6.254 -0.211 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.331 -6.188 -1.163 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.651 -5.921 -2.284 1.00 0.00 H new ATOM 0 HG CYS A 25 11.240 -8.592 -0.347 1.00 0.00 H new ATOM 378 N GLU A 26 12.316 -3.858 -1.187 1.00 0.00 N ATOM 379 CA GLU A 26 12.472 -2.390 -1.421 1.00 0.00 C ATOM 380 C GLU A 26 11.233 -1.873 -2.145 1.00 0.00 C ATOM 381 O GLU A 26 10.627 -2.579 -2.926 1.00 0.00 O ATOM 382 CB GLU A 26 13.712 -2.127 -2.278 1.00 0.00 C ATOM 383 CG GLU A 26 14.952 -2.617 -1.538 1.00 0.00 C ATOM 384 CD GLU A 26 16.192 -2.232 -2.341 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.171 -2.416 -3.546 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.141 -1.758 -1.739 1.00 0.00 O ATOM 0 H GLU A 26 12.978 -4.451 -1.687 1.00 0.00 H new ATOM 0 HA GLU A 26 12.588 -1.877 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.621 -2.639 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.800 -1.062 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.996 -2.176 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.909 -3.698 -1.406 1.00 0.00 H new ATOM 393 N ILE A 27 10.846 -0.643 -1.894 1.00 0.00 N ATOM 394 CA ILE A 27 9.635 -0.079 -2.577 1.00 0.00 C ATOM 395 C ILE A 27 9.871 1.390 -2.941 1.00 0.00 C ATOM 396 O ILE A 27 10.646 2.088 -2.296 1.00 0.00 O ATOM 397 CB ILE A 27 8.407 -0.207 -1.663 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.574 0.633 -0.384 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.213 -1.670 -1.270 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.240 0.693 0.376 1.00 0.00 C ATOM 0 H ILE A 27 11.314 -0.007 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 27 9.453 -0.642 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 27 7.539 0.159 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.345 0.197 0.251 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.903 1.640 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.342 -1.760 -0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.062 -2.271 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.097 -2.025 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.363 1.289 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.480 1.149 -0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.929 -0.316 0.646 1.00 0.00 H new ATOM 412 N LYS A 28 9.197 1.873 -3.961 1.00 0.00 N ATOM 413 CA LYS A 28 9.374 3.296 -4.371 1.00 0.00 C ATOM 414 C LYS A 28 8.031 3.898 -4.823 1.00 0.00 C ATOM 415 O LYS A 28 7.320 3.329 -5.630 1.00 0.00 O ATOM 416 CB LYS A 28 10.368 3.360 -5.531 1.00 0.00 C ATOM 417 CG LYS A 28 10.748 4.817 -5.792 1.00 0.00 C ATOM 418 CD LYS A 28 11.499 4.934 -7.120 1.00 0.00 C ATOM 419 CE LYS A 28 12.776 4.089 -7.084 1.00 0.00 C ATOM 420 NZ LYS A 28 13.474 4.292 -5.785 1.00 0.00 N ATOM 0 H LYS A 28 8.534 1.340 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 28 9.747 3.866 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.258 2.777 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.928 2.921 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.851 5.436 -5.816 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.371 5.190 -4.979 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.859 4.604 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.750 5.977 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.530 3.035 -7.215 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.432 4.368 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.478 4.042 -5.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.393 5.289 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.039 3.687 -5.059 1.00 0.00 H new ATOM 434 N TYR A 29 7.693 5.059 -4.309 1.00 0.00 N ATOM 435 CA TYR A 29 6.411 5.734 -4.698 1.00 0.00 C ATOM 436 C TYR A 29 6.465 6.159 -6.169 1.00 0.00 C ATOM 437 O TYR A 29 7.499 6.547 -6.674 1.00 0.00 O ATOM 438 CB TYR A 29 6.243 6.973 -3.829 1.00 0.00 C ATOM 439 CG TYR A 29 4.952 7.688 -4.158 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.926 8.649 -5.177 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.792 7.419 -3.422 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.738 9.339 -5.460 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.608 8.112 -3.704 1.00 0.00 C ATOM 444 CZ TYR A 29 2.581 9.073 -4.721 1.00 0.00 C ATOM 445 OH TYR A 29 1.410 9.757 -4.992 1.00 0.00 O ATOM 0 H TYR A 29 8.256 5.572 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 29 5.576 5.047 -4.559 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.248 6.688 -2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.086 7.647 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.821 8.859 -5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.810 6.677 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.717 10.076 -6.249 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.714 7.904 -3.135 1.00 0.00 H new ATOM 0 HH TYR A 29 0.656 9.297 -4.567 1.00 0.00 H new ATOM 455 N THR A 30 5.357 6.096 -6.863 1.00 0.00 N ATOM 456 CA THR A 30 5.356 6.496 -8.301 1.00 0.00 C ATOM 457 C THR A 30 5.225 8.014 -8.424 1.00 0.00 C ATOM 458 O THR A 30 4.295 8.612 -7.925 1.00 0.00 O ATOM 459 CB THR A 30 4.186 5.824 -9.028 1.00 0.00 C ATOM 460 OG1 THR A 30 4.221 4.426 -8.777 1.00 0.00 O ATOM 461 CG2 THR A 30 4.303 6.071 -10.536 1.00 0.00 C ATOM 0 H THR A 30 4.457 5.786 -6.497 1.00 0.00 H new ATOM 0 HA THR A 30 6.295 6.179 -8.753 1.00 0.00 H new ATOM 0 HB THR A 30 3.247 6.242 -8.666 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.151 4.265 -7.813 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.469 5.592 -11.049 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.281 7.143 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.242 5.654 -10.901 1.00 0.00 H new ATOM 469 N GLY A 31 6.157 8.627 -9.107 1.00 0.00 N ATOM 470 CA GLY A 31 6.116 10.107 -9.300 1.00 0.00 C ATOM 471 C GLY A 31 7.384 10.559 -10.050 1.00 0.00 C ATOM 472 O GLY A 31 8.308 9.794 -10.233 1.00 0.00 O ATOM 0 H GLY A 31 6.952 8.161 -9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.227 10.387 -9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.052 10.609 -8.335 1.00 0.00 H new ATOM 476 N PHE A 32 7.438 11.798 -10.481 1.00 0.00 N ATOM 477 CA PHE A 32 8.652 12.287 -11.213 1.00 0.00 C ATOM 478 C PHE A 32 9.761 12.648 -10.211 1.00 0.00 C ATOM 479 O PHE A 32 9.872 13.776 -9.776 1.00 0.00 O ATOM 480 CB PHE A 32 8.273 13.532 -12.020 1.00 0.00 C ATOM 481 CG PHE A 32 7.381 13.118 -13.168 1.00 0.00 C ATOM 482 CD1 PHE A 32 7.933 12.474 -14.279 1.00 0.00 C ATOM 483 CD2 PHE A 32 6.001 13.361 -13.111 1.00 0.00 C ATOM 484 CE1 PHE A 32 7.110 12.071 -15.338 1.00 0.00 C ATOM 485 CE2 PHE A 32 5.175 12.954 -14.166 1.00 0.00 C ATOM 486 CZ PHE A 32 5.730 12.310 -15.281 1.00 0.00 C ATOM 0 H PHE A 32 6.698 12.489 -10.359 1.00 0.00 H new ATOM 0 HA PHE A 32 9.016 11.504 -11.878 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.758 14.252 -11.383 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.169 14.024 -12.397 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.996 12.287 -14.321 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.576 13.862 -12.254 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.538 11.577 -16.198 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.111 13.136 -14.121 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.094 11.998 -16.096 1.00 0.00 H new ATOM 496 N ARG A 33 10.582 11.700 -9.849 1.00 0.00 N ATOM 497 CA ARG A 33 11.688 11.975 -8.875 1.00 0.00 C ATOM 498 C ARG A 33 12.617 13.082 -9.408 1.00 0.00 C ATOM 499 O ARG A 33 13.382 13.661 -8.664 1.00 0.00 O ATOM 500 CB ARG A 33 12.509 10.699 -8.643 1.00 0.00 C ATOM 501 CG ARG A 33 13.415 10.880 -7.418 1.00 0.00 C ATOM 502 CD ARG A 33 14.246 9.614 -7.206 1.00 0.00 C ATOM 503 NE ARG A 33 15.268 9.488 -8.290 1.00 0.00 N ATOM 504 CZ ARG A 33 16.259 8.640 -8.152 1.00 0.00 C ATOM 505 NH1 ARG A 33 16.362 7.932 -7.064 1.00 0.00 N ATOM 506 NH2 ARG A 33 17.150 8.499 -9.095 1.00 0.00 N ATOM 0 H ARG A 33 10.537 10.738 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 33 11.243 12.304 -7.936 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.843 9.849 -8.492 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.112 10.478 -9.524 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.071 11.739 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.812 11.084 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.737 9.650 -6.234 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.597 8.739 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 33 15.195 10.058 -9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.672 8.037 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.132 7.272 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 33 17.080 9.051 -9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.917 7.837 -8.977 1.00 0.00 H new ATOM 520 N ASP A 34 12.601 13.360 -10.689 1.00 0.00 N ATOM 521 CA ASP A 34 13.538 14.398 -11.232 1.00 0.00 C ATOM 522 C ASP A 34 13.041 15.806 -10.896 1.00 0.00 C ATOM 523 O ASP A 34 13.676 16.791 -11.219 1.00 0.00 O ATOM 524 CB ASP A 34 13.653 14.239 -12.754 1.00 0.00 C ATOM 525 CG ASP A 34 14.828 15.070 -13.276 1.00 0.00 C ATOM 526 OD1 ASP A 34 15.464 15.731 -12.473 1.00 0.00 O ATOM 527 OD2 ASP A 34 15.069 15.032 -14.471 1.00 0.00 O ATOM 0 H ASP A 34 11.989 12.920 -11.376 1.00 0.00 H new ATOM 0 HA ASP A 34 14.517 14.259 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.797 13.189 -13.009 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.728 14.560 -13.233 1.00 0.00 H new ATOM 532 N ARG A 35 11.921 15.917 -10.238 1.00 0.00 N ATOM 533 CA ARG A 35 11.406 17.265 -9.870 1.00 0.00 C ATOM 534 C ARG A 35 12.122 17.744 -8.601 1.00 0.00 C ATOM 535 O ARG A 35 12.535 16.939 -7.794 1.00 0.00 O ATOM 536 CB ARG A 35 9.897 17.181 -9.624 1.00 0.00 C ATOM 537 CG ARG A 35 9.174 16.859 -10.943 1.00 0.00 C ATOM 538 CD ARG A 35 8.929 18.142 -11.754 1.00 0.00 C ATOM 539 NE ARG A 35 7.635 18.751 -11.344 1.00 0.00 N ATOM 540 CZ ARG A 35 7.368 19.979 -11.685 1.00 0.00 C ATOM 541 NH1 ARG A 35 8.250 20.675 -12.339 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.232 20.521 -11.362 1.00 0.00 N ATOM 0 H ARG A 35 11.340 15.133 -9.939 1.00 0.00 H new ATOM 0 HA ARG A 35 11.595 17.972 -10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.682 16.411 -8.883 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.532 18.125 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.770 16.160 -11.529 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.224 16.368 -10.733 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.743 18.848 -11.591 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.914 17.914 -12.820 1.00 0.00 H new ATOM 0 HE ARG A 35 6.962 18.211 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.149 20.259 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.043 21.637 -12.607 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.542 19.984 -10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.031 21.484 -11.633 1.00 0.00 H new ATOM 556 N PRO A 36 12.286 19.041 -8.429 1.00 0.00 N ATOM 557 CA PRO A 36 12.976 19.607 -7.237 1.00 0.00 C ATOM 558 C PRO A 36 12.623 18.878 -5.933 1.00 0.00 C ATOM 559 O PRO A 36 11.795 17.990 -5.897 1.00 0.00 O ATOM 560 CB PRO A 36 12.488 21.058 -7.200 1.00 0.00 C ATOM 561 CG PRO A 36 12.239 21.415 -8.633 1.00 0.00 C ATOM 562 CD PRO A 36 11.844 20.114 -9.349 1.00 0.00 C ATOM 0 HA PRO A 36 14.059 19.508 -7.315 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.580 21.155 -6.605 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.234 21.715 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.446 22.158 -8.715 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.131 21.850 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.770 20.068 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.331 20.031 -10.320 1.00 0.00 H new ATOM 570 N HIS A 37 13.250 19.257 -4.856 1.00 0.00 N ATOM 571 CA HIS A 37 12.970 18.592 -3.558 1.00 0.00 C ATOM 572 C HIS A 37 11.481 18.722 -3.257 1.00 0.00 C ATOM 573 O HIS A 37 10.971 18.129 -2.333 1.00 0.00 O ATOM 574 CB HIS A 37 13.785 19.264 -2.448 1.00 0.00 C ATOM 575 CG HIS A 37 15.254 19.213 -2.784 1.00 0.00 C ATOM 576 ND1 HIS A 37 15.975 18.024 -2.839 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.153 20.206 -3.083 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.245 18.334 -3.166 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.405 19.649 -3.326 1.00 0.00 N ATOM 0 H HIS A 37 13.946 20.001 -4.820 1.00 0.00 H new ATOM 0 HA HIS A 37 13.248 17.539 -3.610 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.467 20.300 -2.328 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.603 18.762 -1.497 1.00 0.00 H new ATOM 0 HD2 HIS A 37 15.923 21.261 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.036 17.608 -3.284 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.263 20.142 -3.574 1.00 0.00 H new ATOM 587 N GLU A 38 10.774 19.494 -4.033 1.00 0.00 N ATOM 588 CA GLU A 38 9.314 19.642 -3.786 1.00 0.00 C ATOM 589 C GLU A 38 8.620 18.286 -3.914 1.00 0.00 C ATOM 590 O GLU A 38 7.525 18.092 -3.423 1.00 0.00 O ATOM 591 CB GLU A 38 8.708 20.630 -4.784 1.00 0.00 C ATOM 592 CG GLU A 38 8.750 20.041 -6.200 1.00 0.00 C ATOM 593 CD GLU A 38 8.428 21.126 -7.234 1.00 0.00 C ATOM 594 OE1 GLU A 38 8.135 22.239 -6.830 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.483 20.822 -8.416 1.00 0.00 O ATOM 0 H GLU A 38 11.141 20.026 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 38 9.167 20.023 -2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.678 20.855 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.258 21.570 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.736 19.621 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.033 19.224 -6.284 1.00 0.00 H new ATOM 602 N GLU A 39 9.237 17.344 -4.579 1.00 0.00 N ATOM 603 CA GLU A 39 8.608 16.023 -4.754 1.00 0.00 C ATOM 604 C GLU A 39 8.416 15.338 -3.406 1.00 0.00 C ATOM 605 O GLU A 39 7.421 14.681 -3.181 1.00 0.00 O ATOM 606 CB GLU A 39 9.525 15.181 -5.642 1.00 0.00 C ATOM 607 CG GLU A 39 8.875 13.836 -5.925 1.00 0.00 C ATOM 608 CD GLU A 39 7.671 14.043 -6.851 1.00 0.00 C ATOM 609 OE1 GLU A 39 7.698 14.987 -7.619 1.00 0.00 O ATOM 610 OE2 GLU A 39 6.741 13.256 -6.773 1.00 0.00 O ATOM 0 H GLU A 39 10.157 17.444 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 39 7.626 16.136 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.721 15.704 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.487 15.034 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.594 13.161 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.556 13.369 -4.993 1.00 0.00 H new ATOM 617 N ARG A 40 9.346 15.449 -2.506 1.00 0.00 N ATOM 618 CA ARG A 40 9.150 14.746 -1.209 1.00 0.00 C ATOM 619 C ARG A 40 7.938 15.328 -0.459 1.00 0.00 C ATOM 620 O ARG A 40 7.060 14.602 -0.040 1.00 0.00 O ATOM 621 CB ARG A 40 10.421 14.852 -0.344 1.00 0.00 C ATOM 622 CG ARG A 40 10.510 16.222 0.337 1.00 0.00 C ATOM 623 CD ARG A 40 11.901 16.394 0.943 1.00 0.00 C ATOM 624 NE ARG A 40 12.923 16.273 -0.136 1.00 0.00 N ATOM 625 CZ ARG A 40 14.154 16.640 0.091 1.00 0.00 C ATOM 626 NH1 ARG A 40 14.497 17.060 1.274 1.00 0.00 N ATOM 627 NH2 ARG A 40 15.047 16.583 -0.856 1.00 0.00 N ATOM 0 H ARG A 40 10.212 15.980 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 40 8.956 13.693 -1.412 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.418 14.066 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.302 14.693 -0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.315 17.014 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.749 16.305 1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.981 17.366 1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.073 15.639 1.710 1.00 0.00 H new ATOM 0 HE ARG A 40 12.660 15.904 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.804 17.102 2.021 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.459 17.348 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.786 16.249 -1.784 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.007 16.872 -0.670 1.00 0.00 H new ATOM 641 N GLN A 41 7.878 16.622 -0.286 1.00 0.00 N ATOM 642 CA GLN A 41 6.722 17.210 0.453 1.00 0.00 C ATOM 643 C GLN A 41 5.455 17.188 -0.396 1.00 0.00 C ATOM 644 O GLN A 41 4.403 16.794 0.059 1.00 0.00 O ATOM 645 CB GLN A 41 7.055 18.643 0.863 1.00 0.00 C ATOM 646 CG GLN A 41 7.086 19.557 -0.361 1.00 0.00 C ATOM 647 CD GLN A 41 7.651 20.907 0.054 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.568 20.978 0.851 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.134 21.992 -0.449 1.00 0.00 N ATOM 0 H GLN A 41 8.571 17.291 -0.620 1.00 0.00 H new ATOM 0 HA GLN A 41 6.538 16.608 1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.314 19.005 1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.021 18.668 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.699 19.116 -1.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.082 19.676 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.366 21.929 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.498 22.905 -0.175 1.00 0.00 H new ATOM 658 N THR A 42 5.528 17.618 -1.616 1.00 0.00 N ATOM 659 CA THR A 42 4.304 17.635 -2.452 1.00 0.00 C ATOM 660 C THR A 42 3.758 16.226 -2.587 1.00 0.00 C ATOM 661 O THR A 42 2.564 16.014 -2.585 1.00 0.00 O ATOM 662 CB THR A 42 4.630 18.201 -3.834 1.00 0.00 C ATOM 663 OG1 THR A 42 5.303 19.437 -3.673 1.00 0.00 O ATOM 664 CG2 THR A 42 3.337 18.418 -4.623 1.00 0.00 C ATOM 0 H THR A 42 6.376 17.957 -2.070 1.00 0.00 H new ATOM 0 HA THR A 42 3.552 18.266 -1.977 1.00 0.00 H new ATOM 0 HB THR A 42 5.263 17.501 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.238 19.271 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.575 18.822 -5.607 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.816 17.467 -4.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.698 19.120 -4.088 1.00 0.00 H new ATOM 672 N ARG A 43 4.602 15.253 -2.718 1.00 0.00 N ATOM 673 CA ARG A 43 4.071 13.884 -2.871 1.00 0.00 C ATOM 674 C ARG A 43 3.215 13.490 -1.661 1.00 0.00 C ATOM 675 O ARG A 43 2.154 12.920 -1.818 1.00 0.00 O ATOM 676 CB ARG A 43 5.232 12.888 -3.027 1.00 0.00 C ATOM 677 CG ARG A 43 4.670 11.454 -3.195 1.00 0.00 C ATOM 678 CD ARG A 43 4.586 10.721 -1.834 1.00 0.00 C ATOM 679 NE ARG A 43 3.318 9.933 -1.776 1.00 0.00 N ATOM 680 CZ ARG A 43 3.144 9.046 -0.833 1.00 0.00 C ATOM 681 NH1 ARG A 43 4.056 8.898 0.088 1.00 0.00 N ATOM 682 NH2 ARG A 43 2.046 8.334 -0.793 1.00 0.00 N ATOM 0 H ARG A 43 5.618 15.343 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 43 3.444 13.858 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.839 13.155 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.883 12.934 -2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.680 11.500 -3.648 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.306 10.889 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.444 10.061 -1.710 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.618 11.442 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 43 2.589 10.088 -2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.898 9.473 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.927 8.207 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.323 8.471 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.913 7.642 -0.055 1.00 0.00 H new ATOM 696 N PHE A 44 3.648 13.753 -0.458 1.00 0.00 N ATOM 697 CA PHE A 44 2.823 13.338 0.714 1.00 0.00 C ATOM 698 C PHE A 44 1.459 14.047 0.758 1.00 0.00 C ATOM 699 O PHE A 44 0.451 13.413 0.951 1.00 0.00 O ATOM 700 CB PHE A 44 3.584 13.589 2.015 1.00 0.00 C ATOM 701 CG PHE A 44 4.888 12.813 2.000 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.879 11.418 1.866 1.00 0.00 C ATOM 703 CD2 PHE A 44 6.109 13.491 2.101 1.00 0.00 C ATOM 704 CE1 PHE A 44 6.084 10.707 1.831 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.316 12.782 2.059 1.00 0.00 C ATOM 706 CZ PHE A 44 7.303 11.390 1.923 1.00 0.00 C ATOM 0 H PHE A 44 4.522 14.229 -0.237 1.00 0.00 H new ATOM 0 HA PHE A 44 2.629 12.271 0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.784 14.654 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.977 13.284 2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.940 10.890 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.120 14.565 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 44 6.074 9.632 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.256 13.309 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.233 10.842 1.889 1.00 0.00 H new ATOM 716 N GLN A 45 1.404 15.345 0.604 1.00 0.00 N ATOM 717 CA GLN A 45 0.071 16.027 0.674 1.00 0.00 C ATOM 718 C GLN A 45 -0.779 15.676 -0.545 1.00 0.00 C ATOM 719 O GLN A 45 -1.900 15.233 -0.428 1.00 0.00 O ATOM 720 CB GLN A 45 0.243 17.564 0.751 1.00 0.00 C ATOM 721 CG GLN A 45 1.412 18.043 -0.150 1.00 0.00 C ATOM 722 CD GLN A 45 2.578 18.535 0.719 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.112 19.604 0.498 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.991 17.788 1.708 1.00 0.00 N ATOM 0 H GLN A 45 2.205 15.954 0.436 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.432 15.678 1.576 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.681 18.052 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.431 17.860 1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.745 17.227 -0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.072 18.845 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.541 16.891 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.763 18.102 2.296 1.00 0.00 H new ATOM 733 N ASN A 46 -0.266 15.891 -1.718 1.00 0.00 N ATOM 734 CA ASN A 46 -1.069 15.596 -2.937 1.00 0.00 C ATOM 735 C ASN A 46 -1.421 14.106 -3.018 1.00 0.00 C ATOM 736 O ASN A 46 -2.439 13.734 -3.570 1.00 0.00 O ATOM 737 CB ASN A 46 -0.307 16.018 -4.191 1.00 0.00 C ATOM 738 CG ASN A 46 0.879 15.094 -4.419 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.239 14.328 -3.555 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.494 15.131 -5.567 1.00 0.00 N ATOM 0 H ASN A 46 0.671 16.257 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.996 16.166 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.970 15.990 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.038 17.047 -4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.285 14.511 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.184 15.780 -6.291 1.00 0.00 H new ATOM 747 N ALA A 47 -0.596 13.242 -2.482 1.00 0.00 N ATOM 748 CA ALA A 47 -0.911 11.785 -2.554 1.00 0.00 C ATOM 749 C ALA A 47 -1.872 11.430 -1.425 1.00 0.00 C ATOM 750 O ALA A 47 -2.669 10.519 -1.536 1.00 0.00 O ATOM 751 CB ALA A 47 0.374 10.960 -2.398 1.00 0.00 C ATOM 0 H ALA A 47 0.273 13.480 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.364 11.562 -3.520 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.133 9.898 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.070 11.216 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.833 11.180 -1.434 1.00 0.00 H new ATOM 757 N CYS A 48 -1.809 12.147 -0.339 1.00 0.00 N ATOM 758 CA CYS A 48 -2.729 11.844 0.783 1.00 0.00 C ATOM 759 C CYS A 48 -4.169 12.220 0.402 1.00 0.00 C ATOM 760 O CYS A 48 -5.102 11.503 0.713 1.00 0.00 O ATOM 761 CB CYS A 48 -2.301 12.612 2.030 1.00 0.00 C ATOM 762 SG CYS A 48 -2.782 14.346 1.885 1.00 0.00 S ATOM 0 H CYS A 48 -1.165 12.923 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.688 10.775 0.994 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.762 12.171 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.222 12.536 2.161 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.493 14.778 0.694 1.00 0.00 H new ATOM 768 N ARG A 49 -4.363 13.332 -0.280 1.00 0.00 N ATOM 769 CA ARG A 49 -5.751 13.729 -0.683 1.00 0.00 C ATOM 770 C ARG A 49 -6.283 12.694 -1.677 1.00 0.00 C ATOM 771 O ARG A 49 -7.418 12.266 -1.594 1.00 0.00 O ATOM 772 CB ARG A 49 -5.745 15.140 -1.305 1.00 0.00 C ATOM 773 CG ARG A 49 -4.638 15.236 -2.355 1.00 0.00 C ATOM 774 CD ARG A 49 -4.624 16.634 -2.992 1.00 0.00 C ATOM 775 NE ARG A 49 -3.947 17.595 -2.073 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.555 18.772 -2.502 1.00 0.00 C ATOM 777 NH1 ARG A 49 -3.719 19.120 -3.750 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.988 19.604 -1.675 1.00 0.00 N ATOM 0 H ARG A 49 -3.625 13.974 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.401 13.758 0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.712 15.351 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.589 15.889 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.672 15.030 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.792 14.480 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.104 16.603 -3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.643 16.964 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.787 17.334 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.157 18.474 -4.406 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.409 20.038 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.851 19.339 -0.700 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.681 20.520 -2.003 1.00 0.00 H new ATOM 792 N ASP A 50 -5.447 12.240 -2.575 1.00 0.00 N ATOM 793 CA ASP A 50 -5.856 11.168 -3.537 1.00 0.00 C ATOM 794 C ASP A 50 -5.069 9.926 -3.137 1.00 0.00 C ATOM 795 O ASP A 50 -3.990 9.670 -3.634 1.00 0.00 O ATOM 796 CB ASP A 50 -5.524 11.555 -4.983 1.00 0.00 C ATOM 797 CG ASP A 50 -4.197 12.302 -5.033 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.177 11.654 -4.893 1.00 0.00 O ATOM 799 OD2 ASP A 50 -4.221 13.509 -5.217 1.00 0.00 O ATOM 0 H ASP A 50 -4.488 12.569 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.933 11.004 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.471 10.661 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.318 12.180 -5.392 1.00 0.00 H new ATOM 804 N GLY A 51 -5.584 9.180 -2.213 1.00 0.00 N ATOM 805 CA GLY A 51 -4.856 7.978 -1.728 1.00 0.00 C ATOM 806 C GLY A 51 -4.757 6.925 -2.827 1.00 0.00 C ATOM 807 O GLY A 51 -4.397 5.792 -2.577 1.00 0.00 O ATOM 0 H GLY A 51 -6.485 9.349 -1.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.856 8.261 -1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.371 7.560 -0.863 1.00 0.00 H new ATOM 811 N ARG A 52 -5.036 7.288 -4.045 1.00 0.00 N ATOM 812 CA ARG A 52 -4.919 6.298 -5.152 1.00 0.00 C ATOM 813 C ARG A 52 -3.448 6.261 -5.546 1.00 0.00 C ATOM 814 O ARG A 52 -3.079 6.524 -6.674 1.00 0.00 O ATOM 815 CB ARG A 52 -5.743 6.770 -6.351 1.00 0.00 C ATOM 816 CG ARG A 52 -7.209 6.945 -5.947 1.00 0.00 C ATOM 817 CD ARG A 52 -8.057 7.259 -7.186 1.00 0.00 C ATOM 818 NE ARG A 52 -7.493 8.450 -7.903 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.412 9.610 -7.319 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.957 9.782 -6.150 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.837 10.613 -7.927 1.00 0.00 N ATOM 0 H ARG A 52 -5.339 8.222 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.279 5.317 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.346 7.713 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.665 6.047 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.574 6.037 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.301 7.751 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.075 6.397 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.088 7.456 -6.891 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.168 8.349 -8.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.445 9.010 -5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.897 10.689 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.450 10.488 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.775 11.521 -7.466 1.00 0.00 H new ATOM 835 N SER A 53 -2.605 5.978 -4.598 1.00 0.00 N ATOM 836 CA SER A 53 -1.143 5.968 -4.872 1.00 0.00 C ATOM 837 C SER A 53 -0.731 4.730 -5.659 1.00 0.00 C ATOM 838 O SER A 53 -1.184 3.633 -5.400 1.00 0.00 O ATOM 839 CB SER A 53 -0.383 6.003 -3.550 1.00 0.00 C ATOM 840 OG SER A 53 1.000 5.809 -3.804 1.00 0.00 O ATOM 0 H SER A 53 -2.866 5.752 -3.638 1.00 0.00 H new ATOM 0 HA SER A 53 -0.903 6.846 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.543 6.958 -3.049 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.755 5.226 -2.882 1.00 0.00 H new ATOM 0 HG SER A 53 1.370 6.611 -4.228 1.00 0.00 H new ATOM 846 N GLU A 54 0.168 4.900 -6.594 1.00 0.00 N ATOM 847 CA GLU A 54 0.672 3.744 -7.386 1.00 0.00 C ATOM 848 C GLU A 54 2.105 3.506 -6.925 1.00 0.00 C ATOM 849 O GLU A 54 2.882 4.434 -6.819 1.00 0.00 O ATOM 850 CB GLU A 54 0.669 4.090 -8.875 1.00 0.00 C ATOM 851 CG GLU A 54 -0.756 4.421 -9.311 1.00 0.00 C ATOM 852 CD GLU A 54 -0.804 4.584 -10.829 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.127 4.144 -11.482 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.768 5.150 -11.312 1.00 0.00 O ATOM 0 H GLU A 54 0.577 5.801 -6.843 1.00 0.00 H new ATOM 0 HA GLU A 54 0.047 2.863 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.326 4.939 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.054 3.252 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.436 3.628 -8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.092 5.338 -8.826 1.00 0.00 H new ATOM 861 N ILE A 55 2.462 2.294 -6.623 1.00 0.00 N ATOM 862 CA ILE A 55 3.849 2.027 -6.138 1.00 0.00 C ATOM 863 C ILE A 55 4.293 0.636 -6.589 1.00 0.00 C ATOM 864 O ILE A 55 3.483 -0.211 -6.902 1.00 0.00 O ATOM 865 CB ILE A 55 3.857 2.131 -4.606 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.110 1.445 -4.028 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.596 1.473 -4.034 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.410 1.939 -2.602 1.00 0.00 C ATOM 0 H ILE A 55 1.858 1.474 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 55 4.545 2.756 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 55 3.873 3.185 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.964 0.365 -4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.966 1.645 -4.672 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.607 1.550 -2.947 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.713 1.978 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.571 0.422 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.300 1.436 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.581 3.015 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.563 1.716 -1.954 1.00 0.00 H new ATOM 880 N ALA A 56 5.581 0.394 -6.630 1.00 0.00 N ATOM 881 CA ALA A 56 6.069 -0.953 -7.074 1.00 0.00 C ATOM 882 C ALA A 56 7.332 -1.356 -6.315 1.00 0.00 C ATOM 883 O ALA A 56 7.933 -0.571 -5.607 1.00 0.00 O ATOM 884 CB ALA A 56 6.378 -0.928 -8.574 1.00 0.00 C ATOM 0 H ALA A 56 6.310 1.062 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 56 5.284 -1.680 -6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.732 -1.910 -8.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.474 -0.673 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.148 -0.183 -8.774 1.00 0.00 H new ATOM 890 N PHE A 57 7.741 -2.588 -6.473 1.00 0.00 N ATOM 891 CA PHE A 57 8.972 -3.069 -5.786 1.00 0.00 C ATOM 892 C PHE A 57 10.173 -2.797 -6.698 1.00 0.00 C ATOM 893 O PHE A 57 10.184 -3.176 -7.852 1.00 0.00 O ATOM 894 CB PHE A 57 8.871 -4.585 -5.555 1.00 0.00 C ATOM 895 CG PHE A 57 7.689 -4.924 -4.665 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.818 -4.870 -3.269 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.470 -5.322 -5.236 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.730 -5.207 -2.448 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.387 -5.663 -4.412 1.00 0.00 C ATOM 900 CZ PHE A 57 5.519 -5.604 -3.023 1.00 0.00 C ATOM 0 H PHE A 57 7.271 -3.284 -7.052 1.00 0.00 H new ATOM 0 HA PHE A 57 9.086 -2.557 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.768 -5.096 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.791 -4.948 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.755 -4.569 -2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.366 -5.366 -6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.828 -5.160 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.450 -5.971 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.683 -5.866 -2.391 1.00 0.00 H new ATOM 910 N VAL A 58 11.188 -2.155 -6.204 1.00 0.00 N ATOM 911 CA VAL A 58 12.362 -1.892 -7.073 1.00 0.00 C ATOM 912 C VAL A 58 12.960 -3.226 -7.555 1.00 0.00 C ATOM 913 O VAL A 58 13.346 -3.369 -8.698 1.00 0.00 O ATOM 914 CB VAL A 58 13.410 -1.133 -6.259 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.637 -0.871 -7.128 1.00 0.00 C ATOM 916 CG2 VAL A 58 12.821 0.197 -5.766 1.00 0.00 C ATOM 0 H VAL A 58 11.257 -1.804 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 58 12.058 -1.303 -7.939 1.00 0.00 H new ATOM 0 HB VAL A 58 13.703 -1.731 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.385 -0.330 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.055 -1.820 -7.463 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.349 -0.276 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.571 0.735 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.522 0.802 -6.622 1.00 0.00 H new ATOM 0 HG23 VAL A 58 11.951 -0.000 -5.139 1.00 0.00 H new ATOM 926 N ALA A 59 13.039 -4.205 -6.688 1.00 0.00 N ATOM 927 CA ALA A 59 13.626 -5.523 -7.093 1.00 0.00 C ATOM 928 C ALA A 59 12.829 -6.157 -8.243 1.00 0.00 C ATOM 929 O ALA A 59 13.401 -6.700 -9.169 1.00 0.00 O ATOM 930 CB ALA A 59 13.608 -6.482 -5.895 1.00 0.00 C ATOM 0 H ALA A 59 12.724 -4.150 -5.719 1.00 0.00 H new ATOM 0 HA ALA A 59 14.648 -5.348 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.035 -7.441 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.196 -6.058 -5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.581 -6.629 -5.562 1.00 0.00 H new ATOM 936 N THR A 60 11.515 -6.119 -8.179 1.00 0.00 N ATOM 937 CA THR A 60 10.670 -6.755 -9.253 1.00 0.00 C ATOM 938 C THR A 60 9.878 -5.694 -10.028 1.00 0.00 C ATOM 939 O THR A 60 9.479 -4.680 -9.496 1.00 0.00 O ATOM 940 CB THR A 60 9.698 -7.749 -8.607 1.00 0.00 C ATOM 941 OG1 THR A 60 10.412 -8.575 -7.704 1.00 0.00 O ATOM 942 CG2 THR A 60 9.069 -8.625 -9.691 1.00 0.00 C ATOM 0 H THR A 60 10.988 -5.674 -7.428 1.00 0.00 H new ATOM 0 HA THR A 60 11.326 -7.273 -9.953 1.00 0.00 H new ATOM 0 HB THR A 60 8.917 -7.204 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.157 -8.351 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.378 -9.332 -9.232 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.528 -7.996 -10.399 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.852 -9.172 -10.216 1.00 0.00 H new ATOM 950 N GLY A 61 9.654 -5.936 -11.295 1.00 0.00 N ATOM 951 CA GLY A 61 8.897 -4.966 -12.141 1.00 0.00 C ATOM 952 C GLY A 61 7.406 -5.037 -11.811 1.00 0.00 C ATOM 953 O GLY A 61 6.589 -4.382 -12.429 1.00 0.00 O ATOM 0 H GLY A 61 9.967 -6.774 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.268 -3.955 -11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.055 -5.190 -13.196 1.00 0.00 H new ATOM 957 N THR A 62 7.044 -5.822 -10.842 1.00 0.00 N ATOM 958 CA THR A 62 5.610 -5.928 -10.468 1.00 0.00 C ATOM 959 C THR A 62 5.165 -4.616 -9.824 1.00 0.00 C ATOM 960 O THR A 62 5.919 -3.980 -9.116 1.00 0.00 O ATOM 961 CB THR A 62 5.430 -7.069 -9.465 1.00 0.00 C ATOM 962 OG1 THR A 62 5.950 -8.267 -10.026 1.00 0.00 O ATOM 963 CG2 THR A 62 3.940 -7.261 -9.133 1.00 0.00 C ATOM 0 H THR A 62 7.680 -6.397 -10.290 1.00 0.00 H new ATOM 0 HA THR A 62 5.011 -6.126 -11.357 1.00 0.00 H new ATOM 0 HB THR A 62 5.964 -6.825 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.839 -9.002 -9.387 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.829 -8.076 -8.418 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.542 -6.343 -8.701 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.392 -7.500 -10.044 1.00 0.00 H new ATOM 971 N ASN A 63 3.945 -4.206 -10.061 1.00 0.00 N ATOM 972 CA ASN A 63 3.446 -2.936 -9.456 1.00 0.00 C ATOM 973 C ASN A 63 2.033 -3.164 -8.927 1.00 0.00 C ATOM 974 O ASN A 63 1.244 -3.860 -9.529 1.00 0.00 O ATOM 975 CB ASN A 63 3.429 -1.837 -10.527 1.00 0.00 C ATOM 976 CG ASN A 63 2.354 -2.154 -11.573 1.00 0.00 C ATOM 977 OD1 ASN A 63 2.661 -2.515 -12.690 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.095 -2.031 -11.250 1.00 0.00 N ATOM 0 H ASN A 63 3.272 -4.698 -10.649 1.00 0.00 H new ATOM 0 HA ASN A 63 4.098 -2.629 -8.638 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.228 -0.870 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.406 -1.766 -11.005 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.370 -2.238 -11.937 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.837 -1.728 -10.311 1.00 0.00 H new ATOM 985 N LEU A 64 1.714 -2.576 -7.806 1.00 0.00 N ATOM 986 CA LEU A 64 0.356 -2.740 -7.213 1.00 0.00 C ATOM 987 C LEU A 64 -0.236 -1.349 -6.984 1.00 0.00 C ATOM 988 O LEU A 64 0.434 -0.456 -6.505 1.00 0.00 O ATOM 989 CB LEU A 64 0.490 -3.477 -5.862 1.00 0.00 C ATOM 990 CG LEU A 64 0.374 -5.003 -6.041 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.584 -5.554 -6.821 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.311 -5.656 -4.652 1.00 0.00 C ATOM 0 H LEU A 64 2.345 -1.981 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.290 -3.315 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.450 -3.234 -5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.284 -3.129 -5.178 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.529 -5.232 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.482 -6.633 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.626 -5.087 -7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.501 -5.333 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.229 -6.737 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.217 -5.416 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.557 -5.279 -4.112 1.00 0.00 H new ATOM 1004 N SER A 65 -1.490 -1.166 -7.305 1.00 0.00 N ATOM 1005 CA SER A 65 -2.151 0.162 -7.091 1.00 0.00 C ATOM 1006 C SER A 65 -3.122 0.013 -5.919 1.00 0.00 C ATOM 1007 O SER A 65 -3.750 -1.017 -5.765 1.00 0.00 O ATOM 1008 CB SER A 65 -2.921 0.566 -8.349 1.00 0.00 C ATOM 1009 OG SER A 65 -2.022 0.618 -9.450 1.00 0.00 O ATOM 0 H SER A 65 -2.092 -1.883 -7.710 1.00 0.00 H new ATOM 0 HA SER A 65 -1.407 0.930 -6.879 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.718 -0.151 -8.548 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.394 1.537 -8.204 1.00 0.00 H new ATOM 0 HG SER A 65 -2.511 0.875 -10.260 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.235 1.004 -5.066 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.162 0.863 -3.898 1.00 0.00 C ATOM 1017 C LEU A 66 -4.811 2.208 -3.540 1.00 0.00 C ATOM 1018 O LEU A 66 -4.272 3.283 -3.783 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.387 0.317 -2.676 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.958 0.925 -2.620 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.510 1.064 -1.163 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.936 0.024 -3.340 1.00 0.00 C ATOM 0 H LEU A 66 -2.734 1.891 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.952 0.164 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.926 0.556 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.324 -0.770 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.998 1.897 -3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.508 1.491 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.201 1.718 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.502 0.082 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.053 0.478 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.914 -0.955 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.223 -0.089 -4.385 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.973 2.126 -2.936 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.725 3.340 -2.512 1.00 0.00 C ATOM 1036 C GLN A 67 -7.081 3.170 -1.025 1.00 0.00 C ATOM 1037 O GLN A 67 -7.927 2.366 -0.685 1.00 0.00 O ATOM 1038 CB GLN A 67 -8.030 3.408 -3.323 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.745 3.208 -4.816 1.00 0.00 C ATOM 1040 CD GLN A 67 -9.002 3.557 -5.614 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.954 3.712 -6.819 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -10.134 3.688 -4.983 1.00 0.00 N ATOM 0 H GLN A 67 -6.438 1.245 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.136 4.243 -2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.723 2.643 -2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.514 4.372 -3.165 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.913 3.840 -5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.451 2.176 -5.008 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.172 3.558 -3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.982 3.921 -5.500 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.450 3.900 -0.128 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.790 3.735 1.335 1.00 0.00 C ATOM 1053 C PHE A 68 -7.904 4.712 1.746 1.00 0.00 C ATOM 1054 O PHE A 68 -9.036 4.322 1.954 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.549 3.949 2.224 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.707 5.092 1.709 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -4.002 4.945 0.515 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.617 6.287 2.434 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.209 5.992 0.038 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.817 7.332 1.961 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.114 7.184 0.763 1.00 0.00 C ATOM 0 H PHE A 68 -5.728 4.590 -0.336 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.143 2.714 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.861 4.155 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.954 3.036 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.069 4.022 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.165 6.401 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.669 5.881 -0.891 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.743 8.252 2.521 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.497 7.991 0.396 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.587 5.981 1.862 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.613 7.005 2.260 1.00 0.00 C ATOM 1073 C PHE A 69 -8.419 8.270 1.408 1.00 0.00 C ATOM 1074 O PHE A 69 -7.853 9.249 1.853 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.427 7.364 3.744 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.573 8.234 4.228 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.885 7.735 4.231 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.322 9.538 4.684 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.938 8.538 4.687 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.375 10.337 5.137 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.684 9.839 5.137 1.00 0.00 C ATOM 0 H PHE A 69 -6.653 6.356 1.697 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.613 6.602 2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.377 6.453 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.481 7.888 3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.082 6.732 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.313 9.924 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.947 8.153 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.179 11.340 5.487 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.498 10.459 5.484 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.892 8.244 0.191 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.783 9.384 -0.757 1.00 0.00 C ATOM 1093 C PRO A 70 -9.991 10.316 -0.646 1.00 0.00 C ATOM 1094 O PRO A 70 -11.114 9.872 -0.507 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.773 8.671 -2.101 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.740 7.547 -1.904 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.591 7.113 -0.436 1.00 0.00 C ATOM 0 HA PRO A 70 -7.915 10.019 -0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.085 9.333 -2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.778 8.305 -2.355 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.760 7.868 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.520 6.720 -2.580 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.560 6.933 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.019 6.189 -0.347 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.783 11.601 -0.697 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.939 12.525 -0.584 1.00 0.00 C ATOM 1107 C ALA A 71 -11.980 12.166 -1.641 1.00 0.00 C ATOM 1108 O ALA A 71 -13.167 12.198 -1.392 1.00 0.00 O ATOM 1109 CB ALA A 71 -10.473 13.964 -0.812 1.00 0.00 C ATOM 0 H ALA A 71 -8.872 12.046 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.374 12.435 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.324 14.640 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.726 14.227 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.037 14.052 -1.807 1.00 0.00 H new ATOM 1115 N SER A 72 -11.539 11.830 -2.820 1.00 0.00 N ATOM 1116 CA SER A 72 -12.497 11.476 -3.899 1.00 0.00 C ATOM 1117 C SER A 72 -11.728 11.055 -5.136 1.00 0.00 C ATOM 1118 O SER A 72 -10.576 11.406 -5.317 1.00 0.00 O ATOM 1119 CB SER A 72 -13.356 12.690 -4.246 1.00 0.00 C ATOM 1120 OG SER A 72 -14.101 12.426 -5.428 1.00 0.00 O ATOM 0 H SER A 72 -10.554 11.786 -3.082 1.00 0.00 H new ATOM 0 HA SER A 72 -13.134 10.660 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.032 12.917 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.724 13.566 -4.391 1.00 0.00 H new ATOM 0 HG SER A 72 -15.050 12.330 -5.202 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.358 10.322 -6.001 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.673 9.893 -7.244 1.00 0.00 C ATOM 1128 C TRP A 73 -11.733 11.051 -8.241 1.00 0.00 C ATOM 1129 O TRP A 73 -10.904 11.939 -8.229 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.385 8.639 -7.792 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.131 8.454 -9.260 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.021 8.858 -9.921 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.984 7.814 -10.256 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.138 8.506 -11.252 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -12.328 7.861 -11.508 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -14.252 7.203 -10.198 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -12.903 7.324 -12.658 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.835 6.661 -11.356 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -14.160 6.721 -12.583 1.00 0.00 C ATOM 0 H TRP A 73 -13.321 10.000 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.629 9.640 -7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.041 7.759 -7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.457 8.723 -7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.180 9.372 -9.480 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.429 8.700 -11.959 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.780 7.151 -9.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.380 7.374 -13.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.808 6.196 -11.300 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.612 6.301 -13.470 1.00 0.00 H new ATOM 1150 N GLN A 74 -12.699 11.044 -9.111 1.00 0.00 N ATOM 1151 CA GLN A 74 -12.808 12.135 -10.117 1.00 0.00 C ATOM 1152 C GLN A 74 -13.622 13.305 -9.530 1.00 0.00 C ATOM 1153 O GLN A 74 -13.848 14.299 -10.191 1.00 0.00 O ATOM 1154 CB GLN A 74 -13.496 11.562 -11.369 1.00 0.00 C ATOM 1155 CG GLN A 74 -13.011 12.296 -12.627 1.00 0.00 C ATOM 1156 CD GLN A 74 -11.585 11.848 -12.968 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -11.242 10.697 -12.792 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -10.735 12.709 -13.468 1.00 0.00 N ATOM 0 H GLN A 74 -13.422 10.327 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 74 -11.821 12.514 -10.383 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -13.280 10.497 -11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.577 11.662 -11.276 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.678 12.086 -13.463 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.035 13.373 -12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.018 13.677 -13.618 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.789 12.412 -13.708 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.089 13.180 -8.306 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.914 14.267 -7.699 1.00 0.00 C ATOM 1169 C GLY A 75 -14.059 15.484 -7.339 1.00 0.00 C ATOM 1170 O GLY A 75 -12.960 15.372 -6.834 1.00 0.00 O ATOM 0 H GLY A 75 -13.932 12.371 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.697 14.564 -8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.411 13.892 -6.804 1.00 0.00 H new ATOM 1174 N GLU A 76 -14.587 16.650 -7.602 1.00 0.00 N ATOM 1175 CA GLU A 76 -13.864 17.924 -7.302 1.00 0.00 C ATOM 1176 C GLU A 76 -14.328 18.488 -5.952 1.00 0.00 C ATOM 1177 O GLU A 76 -14.324 19.683 -5.746 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.167 18.939 -8.409 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.636 19.379 -8.332 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.050 20.031 -9.655 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.514 19.313 -10.525 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -15.900 21.240 -9.773 1.00 0.00 O ATOM 0 H GLU A 76 -15.508 16.777 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.792 17.730 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.514 19.806 -8.308 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.962 18.498 -9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.273 18.519 -8.124 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.772 20.082 -7.511 1.00 0.00 H new ATOM 1189 N GLN A 77 -14.747 17.646 -5.046 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.232 18.138 -3.719 1.00 0.00 C ATOM 1191 C GLN A 77 -14.162 18.984 -3.018 1.00 0.00 C ATOM 1192 O GLN A 77 -13.555 19.859 -3.604 1.00 0.00 O ATOM 1193 CB GLN A 77 -15.606 16.933 -2.845 1.00 0.00 C ATOM 1194 CG GLN A 77 -14.406 15.989 -2.691 1.00 0.00 C ATOM 1195 CD GLN A 77 -14.820 14.767 -1.862 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -15.819 14.135 -2.142 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -14.088 14.411 -0.838 1.00 0.00 N ATOM 0 H GLN A 77 -14.775 16.634 -5.166 1.00 0.00 H new ATOM 0 HA GLN A 77 -16.106 18.770 -3.876 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.935 17.276 -1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -16.443 16.397 -3.293 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.050 15.673 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.581 16.509 -2.205 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.249 14.941 -0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.356 13.603 -0.276 1.00 0.00 H new ATOM 1206 N ARG A 78 -13.933 18.748 -1.761 1.00 0.00 N ATOM 1207 CA ARG A 78 -12.918 19.550 -1.026 1.00 0.00 C ATOM 1208 C ARG A 78 -11.556 18.865 -1.172 1.00 0.00 C ATOM 1209 O ARG A 78 -11.431 17.672 -0.989 1.00 0.00 O ATOM 1210 CB ARG A 78 -13.295 19.571 0.455 1.00 0.00 C ATOM 1211 CG ARG A 78 -14.686 20.189 0.653 1.00 0.00 C ATOM 1212 CD ARG A 78 -14.663 21.686 0.337 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.852 22.341 0.974 1.00 0.00 N ATOM 1214 CZ ARG A 78 -17.075 21.920 0.752 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -17.331 21.063 -0.198 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -18.062 22.400 1.456 1.00 0.00 N ATOM 0 H ARG A 78 -14.405 18.033 -1.208 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.877 20.565 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.283 18.556 0.853 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.555 20.142 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -15.407 19.687 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -15.015 20.034 1.680 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.742 22.135 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.680 21.843 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.706 23.135 1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.574 20.709 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -18.288 20.747 -0.356 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.882 23.100 2.176 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -19.014 22.076 1.287 1.00 0.00 H new ATOM 1230 N GLN A 79 -10.535 19.604 -1.511 1.00 0.00 N ATOM 1231 CA GLN A 79 -9.188 18.979 -1.679 1.00 0.00 C ATOM 1232 C GLN A 79 -8.544 18.798 -0.301 1.00 0.00 C ATOM 1233 O GLN A 79 -7.365 19.027 -0.118 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.303 19.881 -2.558 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.679 21.348 -2.338 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.716 21.668 -0.838 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -7.701 21.990 -0.247 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.851 21.593 -0.192 1.00 0.00 N ATOM 0 H GLN A 79 -10.573 20.609 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.291 18.008 -2.162 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.252 19.725 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.429 19.617 -3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.957 21.994 -2.837 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.652 21.552 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.702 21.323 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.885 21.804 0.805 1.00 0.00 H new ATOM 1247 N THR A 80 -9.306 18.393 0.672 1.00 0.00 N ATOM 1248 CA THR A 80 -8.725 18.214 2.032 1.00 0.00 C ATOM 1249 C THR A 80 -7.838 16.955 2.051 1.00 0.00 C ATOM 1250 O THR A 80 -8.179 15.951 1.454 1.00 0.00 O ATOM 1251 CB THR A 80 -9.847 18.051 3.059 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.273 17.968 4.354 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.627 16.772 2.763 1.00 0.00 C ATOM 0 H THR A 80 -10.300 18.179 0.588 1.00 0.00 H new ATOM 0 HA THR A 80 -8.128 19.091 2.282 1.00 0.00 H new ATOM 0 HB THR A 80 -10.524 18.904 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.984 17.865 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.426 16.656 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.056 16.831 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.956 15.915 2.820 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.698 16.994 2.724 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.769 15.825 2.793 1.00 0.00 C ATOM 1263 C PRO A 81 -6.245 14.768 3.793 1.00 0.00 C ATOM 1264 O PRO A 81 -7.120 15.013 4.601 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.452 16.459 3.256 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.875 17.592 4.124 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.165 18.138 3.497 1.00 0.00 C ATOM 0 HA PRO A 81 -5.692 15.297 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.838 15.745 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.858 16.806 2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.048 17.258 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.104 18.362 4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.871 18.468 4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.965 18.996 2.855 1.00 0.00 H new ATOM 1275 N SER A 82 -5.670 13.596 3.753 1.00 0.00 N ATOM 1276 CA SER A 82 -6.085 12.530 4.706 1.00 0.00 C ATOM 1277 C SER A 82 -5.389 12.776 6.032 1.00 0.00 C ATOM 1278 O SER A 82 -4.180 12.745 6.127 1.00 0.00 O ATOM 1279 CB SER A 82 -5.663 11.168 4.161 1.00 0.00 C ATOM 1280 OG SER A 82 -5.940 10.169 5.132 1.00 0.00 O ATOM 0 H SER A 82 -4.931 13.332 3.101 1.00 0.00 H new ATOM 0 HA SER A 82 -7.167 12.545 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.198 10.951 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.600 11.173 3.920 1.00 0.00 H new ATOM 0 HG SER A 82 -5.672 9.292 4.785 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.139 13.021 7.060 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.511 13.280 8.378 1.00 0.00 C ATOM 1288 C ARG A 83 -4.683 12.062 8.790 1.00 0.00 C ATOM 1289 O ARG A 83 -3.688 12.175 9.477 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.608 13.543 9.409 1.00 0.00 C ATOM 1291 CG ARG A 83 -5.977 13.960 10.746 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.076 14.069 11.812 1.00 0.00 C ATOM 1293 NE ARG A 83 -6.528 14.679 13.078 1.00 0.00 N ATOM 1294 CZ ARG A 83 -5.491 14.175 13.703 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -5.008 13.010 13.360 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -4.975 14.812 14.722 1.00 0.00 N ATOM 0 H ARG A 83 -7.158 13.054 7.047 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.858 14.150 8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.275 14.327 9.051 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.213 12.647 9.546 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.229 13.229 11.052 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.464 14.915 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.897 14.678 11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.483 13.081 12.025 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.979 15.510 13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.438 12.484 12.600 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.201 12.627 13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.379 15.697 15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.168 14.424 15.211 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.101 10.903 8.381 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.371 9.658 8.741 1.00 0.00 C ATOM 1312 C GLU A 84 -2.923 9.743 8.256 1.00 0.00 C ATOM 1313 O GLU A 84 -2.034 9.155 8.826 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.076 8.483 8.071 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.519 8.431 8.573 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.235 7.222 7.972 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -6.713 6.127 8.094 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.299 7.411 7.408 1.00 0.00 O ATOM 0 H GLU A 84 -5.930 10.761 7.804 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.364 9.526 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.056 8.598 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.561 7.551 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.533 8.369 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.042 9.347 8.299 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.685 10.446 7.187 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.294 10.549 6.648 1.00 0.00 C ATOM 1327 C TYR A 85 -0.391 11.337 7.614 1.00 0.00 C ATOM 1328 O TYR A 85 0.733 10.952 7.869 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.373 11.187 5.232 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.502 12.424 5.057 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.881 12.350 5.259 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.080 13.627 4.620 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.686 13.475 5.028 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.283 14.751 4.395 1.00 0.00 C ATOM 1335 CZ TYR A 85 1.104 14.677 4.593 1.00 0.00 C ATOM 1336 OH TYR A 85 1.896 15.783 4.358 1.00 0.00 O ATOM 0 H TYR A 85 -3.392 10.957 6.659 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.838 9.563 6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.079 10.442 4.493 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.409 11.453 5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.329 11.426 5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.146 13.683 4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.753 13.417 5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.734 15.677 4.069 1.00 0.00 H new ATOM 0 HH TYR A 85 1.335 16.530 4.062 1.00 0.00 H new ATOM 1346 N VAL A 86 -0.858 12.418 8.166 1.00 0.00 N ATOM 1347 CA VAL A 86 0.004 13.199 9.111 1.00 0.00 C ATOM 1348 C VAL A 86 -0.166 12.673 10.534 1.00 0.00 C ATOM 1349 O VAL A 86 0.394 13.205 11.472 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.354 14.693 9.041 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.854 15.531 9.481 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.711 15.068 7.599 1.00 0.00 C ATOM 0 H VAL A 86 -1.791 12.798 8.010 1.00 0.00 H new ATOM 0 HA VAL A 86 1.048 13.079 8.820 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.202 14.888 9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.600 16.590 9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.124 15.270 10.504 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.697 15.329 8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.965 16.127 7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.141 14.869 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.564 14.475 7.270 1.00 0.00 H new ATOM 1362 N ASP A 87 -0.921 11.621 10.702 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.107 11.054 12.073 1.00 0.00 C ATOM 1364 C ASP A 87 -0.028 9.996 12.286 1.00 0.00 C ATOM 1365 O ASP A 87 0.122 9.445 13.361 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.520 10.435 12.207 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.592 8.998 11.643 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -1.641 8.559 11.017 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.611 8.358 11.850 1.00 0.00 O ATOM 0 H ASP A 87 -1.415 11.131 9.956 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.018 11.835 12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.811 10.425 13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.240 11.064 11.683 1.00 0.00 H new ATOM 1374 N LEU A 88 0.735 9.731 11.253 1.00 0.00 N ATOM 1375 CA LEU A 88 1.842 8.728 11.348 1.00 0.00 C ATOM 1376 C LEU A 88 3.132 9.372 10.863 1.00 0.00 C ATOM 1377 O LEU A 88 4.202 8.803 10.967 1.00 0.00 O ATOM 1378 CB LEU A 88 1.517 7.466 10.524 1.00 0.00 C ATOM 1379 CG LEU A 88 0.887 7.825 9.163 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.964 8.282 8.173 1.00 0.00 C ATOM 1381 CD2 LEU A 88 0.179 6.593 8.584 1.00 0.00 C ATOM 0 H LEU A 88 0.637 10.172 10.338 1.00 0.00 H new ATOM 0 HA LEU A 88 1.958 8.417 12.386 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.429 6.891 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.833 6.830 11.086 1.00 0.00 H new ATOM 0 HG LEU A 88 0.174 8.635 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.499 8.531 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.473 9.161 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.687 7.480 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.266 6.848 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.902 5.788 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.602 6.266 9.270 1.00 0.00 H new ATOM 1393 N GLU A 89 3.045 10.573 10.362 1.00 0.00 N ATOM 1394 CA GLU A 89 4.268 11.279 9.905 1.00 0.00 C ATOM 1395 C GLU A 89 4.934 11.887 11.139 1.00 0.00 C ATOM 1396 O GLU A 89 6.141 11.992 11.223 1.00 0.00 O ATOM 1397 CB GLU A 89 3.867 12.374 8.915 1.00 0.00 C ATOM 1398 CG GLU A 89 5.104 12.977 8.246 1.00 0.00 C ATOM 1399 CD GLU A 89 4.647 14.071 7.280 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.530 14.536 7.437 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.419 14.428 6.407 1.00 0.00 O ATOM 0 H GLU A 89 2.176 11.095 10.250 1.00 0.00 H new ATOM 0 HA GLU A 89 4.960 10.600 9.407 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.203 11.960 8.157 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.311 13.155 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.777 13.391 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.659 12.206 7.711 1.00 0.00 H new ATOM 1408 N ARG A 90 4.146 12.267 12.109 1.00 0.00 N ATOM 1409 CA ARG A 90 4.717 12.844 13.356 1.00 0.00 C ATOM 1410 C ARG A 90 5.451 11.756 14.138 1.00 0.00 C ATOM 1411 O ARG A 90 6.186 12.031 15.065 1.00 0.00 O ATOM 1412 CB ARG A 90 3.604 13.450 14.222 1.00 0.00 C ATOM 1413 CG ARG A 90 2.715 12.351 14.816 1.00 0.00 C ATOM 1414 CD ARG A 90 1.482 13.000 15.462 1.00 0.00 C ATOM 1415 NE ARG A 90 0.533 13.423 14.392 1.00 0.00 N ATOM 1416 CZ ARG A 90 -0.673 13.810 14.700 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -1.048 13.851 15.953 1.00 0.00 N ATOM 1418 NH2 ARG A 90 -1.500 14.161 13.750 1.00 0.00 N ATOM 0 H ARG A 90 3.128 12.202 12.089 1.00 0.00 H new ATOM 0 HA ARG A 90 5.420 13.633 13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.044 14.042 15.025 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.998 14.128 13.621 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.408 11.653 14.037 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.271 11.777 15.558 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.997 12.295 16.137 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.781 13.860 16.061 1.00 0.00 H new ATOM 0 HE ARG A 90 0.829 13.409 13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.396 13.580 16.689 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.992 14.154 16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -1.200 14.131 12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.445 14.465 13.983 1.00 0.00 H new ATOM 1432 N GLU A 91 5.231 10.519 13.800 1.00 0.00 N ATOM 1433 CA GLU A 91 5.892 9.417 14.566 1.00 0.00 C ATOM 1434 C GLU A 91 7.366 9.235 14.148 1.00 0.00 C ATOM 1435 O GLU A 91 8.220 10.035 14.478 1.00 0.00 O ATOM 1436 CB GLU A 91 5.111 8.117 14.339 1.00 0.00 C ATOM 1437 CG GLU A 91 5.611 7.036 15.299 1.00 0.00 C ATOM 1438 CD GLU A 91 5.218 7.421 16.726 1.00 0.00 C ATOM 1439 OE1 GLU A 91 4.141 7.966 16.894 1.00 0.00 O ATOM 1440 OE2 GLU A 91 6.006 7.177 17.622 1.00 0.00 O ATOM 0 H GLU A 91 4.628 10.219 13.034 1.00 0.00 H new ATOM 0 HA GLU A 91 5.887 9.677 15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.046 8.290 14.495 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.232 7.785 13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.180 6.070 15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.693 6.933 15.221 1.00 0.00 H new ATOM 1447 N ALA A 92 7.673 8.175 13.451 1.00 0.00 N ATOM 1448 CA ALA A 92 9.083 7.919 13.036 1.00 0.00 C ATOM 1449 C ALA A 92 9.601 9.051 12.155 1.00 0.00 C ATOM 1450 O ALA A 92 10.775 9.121 11.847 1.00 0.00 O ATOM 1451 CB ALA A 92 9.144 6.616 12.240 1.00 0.00 C ATOM 0 H ALA A 92 7.002 7.469 13.148 1.00 0.00 H new ATOM 0 HA ALA A 92 9.700 7.852 13.932 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.173 6.424 11.934 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.791 5.793 12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.512 6.700 11.356 1.00 0.00 H new ATOM 1457 N GLY A 93 8.730 9.907 11.707 1.00 0.00 N ATOM 1458 CA GLY A 93 9.163 11.002 10.794 1.00 0.00 C ATOM 1459 C GLY A 93 9.084 10.445 9.373 1.00 0.00 C ATOM 1460 O GLY A 93 9.690 10.951 8.448 1.00 0.00 O ATOM 0 H GLY A 93 7.735 9.898 11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.520 11.875 10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.178 11.323 11.028 1.00 0.00 H new ATOM 1464 N LYS A 94 8.329 9.380 9.215 1.00 0.00 N ATOM 1465 CA LYS A 94 8.171 8.723 7.880 1.00 0.00 C ATOM 1466 C LYS A 94 6.682 8.681 7.541 1.00 0.00 C ATOM 1467 O LYS A 94 5.845 8.716 8.417 1.00 0.00 O ATOM 1468 CB LYS A 94 8.662 7.279 7.988 1.00 0.00 C ATOM 1469 CG LYS A 94 10.046 7.260 8.620 1.00 0.00 C ATOM 1470 CD LYS A 94 10.642 5.859 8.504 1.00 0.00 C ATOM 1471 CE LYS A 94 11.996 5.814 9.217 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.328 4.400 9.542 1.00 0.00 N ATOM 0 H LYS A 94 7.808 8.933 9.970 1.00 0.00 H new ATOM 0 HA LYS A 94 8.732 9.269 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.968 6.692 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.695 6.820 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.693 7.984 8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.983 7.554 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.964 5.127 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.764 5.591 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.770 6.246 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.961 6.411 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.247 4.362 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.593 4.005 10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.376 3.844 8.664 1.00 0.00 H new ATOM 1486 N VAL A 95 6.341 8.577 6.282 1.00 0.00 N ATOM 1487 CA VAL A 95 4.896 8.502 5.890 1.00 0.00 C ATOM 1488 C VAL A 95 4.604 7.121 5.315 1.00 0.00 C ATOM 1489 O VAL A 95 5.286 6.671 4.416 1.00 0.00 O ATOM 1490 CB VAL A 95 4.608 9.531 4.796 1.00 0.00 C ATOM 1491 CG1 VAL A 95 3.131 9.441 4.396 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.914 10.939 5.318 1.00 0.00 C ATOM 0 H VAL A 95 7.001 8.541 5.505 1.00 0.00 H new ATOM 0 HA VAL A 95 4.279 8.695 6.768 1.00 0.00 H new ATOM 0 HB VAL A 95 5.236 9.327 3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.920 10.173 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.916 8.440 4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.506 9.646 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.708 11.670 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.288 11.149 6.185 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.964 11.001 5.604 1.00 0.00 H new ATOM 1502 N TYR A 96 3.587 6.438 5.796 1.00 0.00 N ATOM 1503 CA TYR A 96 3.275 5.092 5.214 1.00 0.00 C ATOM 1504 C TYR A 96 1.774 4.839 5.162 1.00 0.00 C ATOM 1505 O TYR A 96 0.993 5.445 5.869 1.00 0.00 O ATOM 1506 CB TYR A 96 3.989 4.003 6.001 1.00 0.00 C ATOM 1507 CG TYR A 96 3.419 3.817 7.370 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.898 4.598 8.420 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.468 2.824 7.602 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.417 4.400 9.709 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.986 2.615 8.889 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.460 3.403 9.949 1.00 0.00 C ATOM 1513 OH TYR A 96 1.983 3.198 11.226 1.00 0.00 O ATOM 0 H TYR A 96 2.973 6.747 6.550 1.00 0.00 H new ATOM 0 HA TYR A 96 3.638 5.073 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.925 3.063 5.454 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.047 4.253 6.083 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.643 5.357 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.107 2.219 6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.779 5.011 10.523 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.248 1.848 9.073 1.00 0.00 H new ATOM 0 HH TYR A 96 1.326 2.471 11.217 1.00 0.00 H new ATOM 1523 N LEU A 97 1.377 3.941 4.294 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.070 3.618 4.125 1.00 0.00 C ATOM 1525 C LEU A 97 -0.257 2.095 4.145 1.00 0.00 C ATOM 1526 O LEU A 97 0.588 1.341 3.673 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.565 4.192 2.775 1.00 0.00 C ATOM 1528 CG LEU A 97 0.597 4.250 1.754 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.027 4.186 0.334 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.409 5.558 1.910 1.00 0.00 C ATOM 0 H LEU A 97 2.005 3.412 3.688 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.646 4.060 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.371 3.572 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.975 5.191 2.926 1.00 0.00 H new ATOM 0 HG LEU A 97 1.258 3.403 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.843 4.227 -0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.525 3.255 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.643 5.031 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.219 5.573 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.755 6.414 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.826 5.610 2.916 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.368 1.640 4.688 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.645 0.168 4.760 1.00 0.00 C ATOM 1544 C LYS A 98 -3.064 -0.121 4.245 1.00 0.00 C ATOM 1545 O LYS A 98 -3.993 0.615 4.518 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.497 -0.293 6.228 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.669 0.235 7.076 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.494 -0.165 8.554 1.00 0.00 C ATOM 1549 CE LYS A 98 -1.386 0.658 9.218 1.00 0.00 C ATOM 1550 NZ LYS A 98 -1.518 0.558 10.701 1.00 0.00 N ATOM 0 H LYS A 98 -2.097 2.232 5.086 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.937 -0.378 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.468 -1.382 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.553 0.068 6.636 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.726 1.320 6.992 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.609 -0.164 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.432 -0.016 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.254 -1.226 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.408 0.294 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.454 1.700 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.767 1.116 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.446 0.925 10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.433 -0.437 10.991 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.240 -1.197 3.508 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.609 -1.535 2.995 1.00 0.00 C ATOM 1566 C ALA A 99 -4.674 -3.026 2.603 1.00 0.00 C ATOM 1567 O ALA A 99 -3.708 -3.569 2.104 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.926 -0.683 1.761 1.00 0.00 C ATOM 0 H ALA A 99 -2.502 -1.849 3.242 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.336 -1.332 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.921 -0.932 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.893 0.373 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.190 -0.883 0.982 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.805 -3.687 2.772 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.954 -5.113 2.362 1.00 0.00 C ATOM 1576 C PRO A 100 -6.421 -5.230 0.901 1.00 0.00 C ATOM 1577 O PRO A 100 -7.573 -4.994 0.594 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.045 -5.611 3.298 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.961 -4.436 3.438 1.00 0.00 C ATOM 1580 CD PRO A 100 -7.061 -3.185 3.378 1.00 0.00 C ATOM 0 HA PRO A 100 -5.021 -5.673 2.422 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.564 -6.475 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.637 -5.917 4.261 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.702 -4.422 2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.508 -4.478 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.510 -2.397 2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.888 -2.767 4.370 1.00 0.00 H new ATOM 1588 N MET A 101 -5.539 -5.574 -0.003 1.00 0.00 N ATOM 1589 CA MET A 101 -5.939 -5.692 -1.453 1.00 0.00 C ATOM 1590 C MET A 101 -6.174 -7.160 -1.830 1.00 0.00 C ATOM 1591 O MET A 101 -5.345 -8.010 -1.576 1.00 0.00 O ATOM 1592 CB MET A 101 -4.812 -5.122 -2.321 1.00 0.00 C ATOM 1593 CG MET A 101 -5.188 -5.195 -3.809 1.00 0.00 C ATOM 1594 SD MET A 101 -6.580 -4.082 -4.147 1.00 0.00 S ATOM 1595 CE MET A 101 -5.739 -2.511 -3.829 1.00 0.00 C ATOM 0 H MET A 101 -4.559 -5.779 0.192 1.00 0.00 H new ATOM 0 HA MET A 101 -6.864 -5.139 -1.615 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.617 -4.087 -2.040 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.892 -5.679 -2.145 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.332 -4.918 -4.424 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.455 -6.217 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.970 -1.806 -4.628 1.00 0.00 H new ATOM 0 HE2 MET A 101 -6.077 -2.103 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.662 -2.676 -3.791 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.281 -7.464 -2.474 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.542 -8.875 -2.904 1.00 0.00 C ATOM 1607 C ILE A 102 -6.960 -9.112 -4.289 1.00 0.00 C ATOM 1608 O ILE A 102 -7.152 -8.346 -5.209 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.060 -9.210 -2.882 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.886 -7.949 -3.176 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.462 -9.779 -1.510 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.375 -8.277 -3.038 1.00 0.00 C ATOM 0 H ILE A 102 -8.012 -6.796 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.053 -9.541 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.259 -9.957 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.612 -7.151 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.673 -7.587 -4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.527 -10.009 -1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.894 -10.688 -1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.249 -9.043 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.965 -7.384 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.642 -9.061 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.580 -8.619 -2.024 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.263 -10.200 -4.435 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.662 -10.568 -5.741 1.00 0.00 C ATOM 1626 C LEU A 103 -6.488 -11.727 -6.279 1.00 0.00 C ATOM 1627 O LEU A 103 -7.455 -12.118 -5.662 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.205 -10.996 -5.542 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.432 -9.913 -4.777 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -1.944 -10.281 -4.758 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.621 -8.543 -5.450 1.00 0.00 C ATOM 0 H LEU A 103 -6.081 -10.866 -3.684 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.666 -9.728 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.167 -11.937 -4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.735 -11.173 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.812 -9.852 -3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.387 -9.517 -4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.814 -11.244 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.572 -10.345 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.067 -7.786 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.251 -8.587 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.680 -8.284 -5.458 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.159 -12.262 -7.417 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.980 -13.386 -7.953 1.00 0.00 C ATOM 1645 C ASN A 104 -6.891 -14.573 -6.987 1.00 0.00 C ATOM 1646 O ASN A 104 -6.370 -15.620 -7.315 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.433 -13.798 -9.319 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.409 -14.765 -9.991 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.593 -14.727 -9.727 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -6.961 -15.641 -10.848 1.00 0.00 N ATOM 0 H ASN A 104 -5.369 -11.977 -7.996 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.019 -13.074 -8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.289 -12.917 -9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.458 -14.271 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.606 -16.293 -11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.966 -15.674 -11.071 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.398 -14.407 -5.796 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.353 -15.503 -4.791 1.00 0.00 C ATOM 1659 C GLY A 105 -8.051 -15.043 -3.500 1.00 0.00 C ATOM 1660 O GLY A 105 -9.224 -15.292 -3.295 1.00 0.00 O ATOM 0 H GLY A 105 -7.846 -13.549 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.844 -16.393 -5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.319 -15.776 -4.581 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.325 -14.380 -2.627 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.915 -13.897 -1.331 1.00 0.00 C ATOM 1666 C VAL A 106 -7.190 -12.599 -0.919 1.00 0.00 C ATOM 1667 O VAL A 106 -6.359 -12.095 -1.647 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.764 -14.972 -0.218 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.083 -15.111 0.561 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.417 -16.329 -0.833 1.00 0.00 C ATOM 0 H VAL A 106 -6.340 -14.150 -2.757 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.980 -13.707 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.965 -14.658 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.968 -15.866 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.338 -14.155 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.879 -15.411 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.314 -17.072 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.211 -16.633 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.478 -16.251 -1.381 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.514 -12.033 0.221 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.844 -10.754 0.624 1.00 0.00 C ATOM 1682 C CYS A 107 -5.425 -10.970 1.142 1.00 0.00 C ATOM 1683 O CYS A 107 -5.107 -11.937 1.806 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.660 -10.033 1.699 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.186 -11.206 2.955 1.00 0.00 S ATOM 0 H CYS A 107 -8.203 -12.395 0.881 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.785 -10.144 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.062 -9.243 2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.530 -9.555 1.248 1.00 0.00 H new ATOM 0 HG CYS A 107 -8.971 -12.093 2.419 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.598 -10.000 0.868 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.188 -9.989 1.333 1.00 0.00 C ATOM 1693 C VAL A 108 -2.982 -8.598 1.945 1.00 0.00 C ATOM 1694 O VAL A 108 -3.681 -7.671 1.584 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.246 -10.246 0.141 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.328 -9.106 -0.889 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.801 -10.406 0.639 1.00 0.00 C ATOM 0 H VAL A 108 -4.857 -9.182 0.317 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.971 -10.768 2.064 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.562 -11.167 -0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.652 -9.316 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.349 -9.027 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.041 -8.167 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.142 -10.587 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.490 -9.496 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.745 -11.248 1.328 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.096 -8.433 2.895 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.945 -7.085 3.544 1.00 0.00 C ATOM 1709 C ILE A 109 -0.762 -6.304 2.959 1.00 0.00 C ATOM 1710 O ILE A 109 0.379 -6.695 3.075 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.740 -7.300 5.058 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.026 -6.003 5.819 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.301 -7.746 5.364 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.017 -6.293 7.324 1.00 0.00 C ATOM 0 H ILE A 109 -1.475 -9.161 3.249 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.843 -6.497 3.356 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.431 -8.080 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.275 -5.251 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.992 -5.597 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.185 -7.890 6.438 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.093 -8.683 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.397 -6.981 5.023 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.220 -5.373 7.873 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.784 -7.032 7.557 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.040 -6.681 7.614 1.00 0.00 H new ATOM 1726 N TRP A 110 -1.037 -5.177 2.353 1.00 0.00 N ATOM 1727 CA TRP A 110 0.055 -4.331 1.781 1.00 0.00 C ATOM 1728 C TRP A 110 0.309 -3.160 2.745 1.00 0.00 C ATOM 1729 O TRP A 110 -0.609 -2.473 3.148 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.397 -3.814 0.405 1.00 0.00 C ATOM 1731 CG TRP A 110 0.766 -3.274 -0.367 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.479 -3.960 -1.295 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.343 -1.946 -0.307 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.464 -3.129 -1.802 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.416 -1.877 -1.224 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.038 -0.806 0.452 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.162 -0.711 -1.383 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.785 0.368 0.295 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.843 0.416 -0.621 1.00 0.00 C ATOM 0 H TRP A 110 -1.978 -4.804 2.229 1.00 0.00 H new ATOM 0 HA TRP A 110 0.976 -4.901 1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.868 -4.622 -0.155 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.148 -3.034 0.533 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.307 -4.985 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.140 -3.407 -2.513 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.223 -0.834 1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 3.979 -0.679 -2.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.544 1.241 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.413 1.326 -0.739 1.00 0.00 H new ATOM 1750 N LYS A 111 1.542 -2.923 3.126 1.00 0.00 N ATOM 1751 CA LYS A 111 1.839 -1.788 4.067 1.00 0.00 C ATOM 1752 C LYS A 111 3.221 -1.226 3.769 1.00 0.00 C ATOM 1753 O LYS A 111 4.157 -1.388 4.523 1.00 0.00 O ATOM 1754 CB LYS A 111 1.754 -2.263 5.528 1.00 0.00 C ATOM 1755 CG LYS A 111 2.391 -3.643 5.666 1.00 0.00 C ATOM 1756 CD LYS A 111 2.259 -4.123 7.112 1.00 0.00 C ATOM 1757 CE LYS A 111 3.124 -5.372 7.306 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.217 -5.697 8.753 1.00 0.00 N ATOM 0 H LYS A 111 2.355 -3.463 2.829 1.00 0.00 H new ATOM 0 HA LYS A 111 1.097 -1.003 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.261 -1.552 6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.712 -2.301 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.906 -4.348 4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.442 -3.600 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.573 -3.337 7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.217 -4.348 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.693 -6.212 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.120 -5.204 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.805 -6.545 8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.647 -4.898 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.265 -5.876 9.131 1.00 0.00 H new ATOM 1772 N GLY A 112 3.343 -0.558 2.664 1.00 0.00 N ATOM 1773 CA GLY A 112 4.656 0.031 2.281 1.00 0.00 C ATOM 1774 C GLY A 112 4.932 1.308 3.078 1.00 0.00 C ATOM 1775 O GLY A 112 4.029 2.069 3.357 1.00 0.00 O ATOM 0 H GLY A 112 2.586 -0.391 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.451 -0.693 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.662 0.254 1.214 1.00 0.00 H new ATOM 1779 N TRP A 113 6.181 1.582 3.403 1.00 0.00 N ATOM 1780 CA TRP A 113 6.511 2.853 4.129 1.00 0.00 C ATOM 1781 C TRP A 113 7.687 3.527 3.439 1.00 0.00 C ATOM 1782 O TRP A 113 8.452 2.896 2.744 1.00 0.00 O ATOM 1783 CB TRP A 113 6.862 2.588 5.602 1.00 0.00 C ATOM 1784 CG TRP A 113 8.014 1.650 5.720 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.912 0.331 5.998 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.434 1.939 5.587 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.190 -0.209 6.050 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.162 0.746 5.800 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.153 3.114 5.305 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.559 0.722 5.738 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.554 3.094 5.239 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.256 1.900 5.457 1.00 0.00 C ATOM 0 H TRP A 113 6.980 0.982 3.197 1.00 0.00 H new ATOM 0 HA TRP A 113 5.634 3.500 4.106 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.103 3.529 6.096 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.996 2.171 6.116 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.991 -0.212 6.154 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.389 -1.190 6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.622 4.040 5.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 12.095 -0.200 5.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.095 4.003 5.019 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.335 1.891 5.408 1.00 0.00 H new ATOM 1803 N ILE A 114 7.830 4.815 3.634 1.00 0.00 N ATOM 1804 CA ILE A 114 8.949 5.571 2.999 1.00 0.00 C ATOM 1805 C ILE A 114 9.305 6.739 3.920 1.00 0.00 C ATOM 1806 O ILE A 114 8.472 7.232 4.653 1.00 0.00 O ATOM 1807 CB ILE A 114 8.537 6.121 1.608 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.175 6.863 1.687 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.479 4.989 0.572 1.00 0.00 C ATOM 1810 CD1 ILE A 114 5.985 5.909 1.480 1.00 0.00 C ATOM 0 H ILE A 114 7.210 5.380 4.214 1.00 0.00 H new ATOM 0 HA ILE A 114 9.800 4.906 2.856 1.00 0.00 H new ATOM 0 HB ILE A 114 9.294 6.837 1.290 1.00 0.00 H new ATOM 0 HG12 ILE A 114 7.084 7.351 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.146 7.648 0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.188 5.396 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.460 4.521 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.748 4.245 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.053 6.471 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.060 5.441 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 114 5.998 5.139 2.251 1.00 0.00 H new ATOM 1822 N ASP A 115 10.536 7.176 3.909 1.00 0.00 N ATOM 1823 CA ASP A 115 10.925 8.295 4.804 1.00 0.00 C ATOM 1824 C ASP A 115 10.452 9.612 4.190 1.00 0.00 C ATOM 1825 O ASP A 115 10.044 9.670 3.045 1.00 0.00 O ATOM 1826 CB ASP A 115 12.450 8.281 5.008 1.00 0.00 C ATOM 1827 CG ASP A 115 12.806 8.914 6.365 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.935 9.530 6.956 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.943 8.772 6.785 1.00 0.00 O ATOM 0 H ASP A 115 11.283 6.806 3.321 1.00 0.00 H new ATOM 0 HA ASP A 115 10.455 8.184 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.821 7.257 4.967 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.938 8.830 4.202 1.00 0.00 H new ATOM 1834 N LEU A 116 10.471 10.660 4.958 1.00 0.00 N ATOM 1835 CA LEU A 116 9.987 11.972 4.452 1.00 0.00 C ATOM 1836 C LEU A 116 10.955 12.508 3.386 1.00 0.00 C ATOM 1837 O LEU A 116 10.610 13.391 2.633 1.00 0.00 O ATOM 1838 CB LEU A 116 9.869 12.951 5.648 1.00 0.00 C ATOM 1839 CG LEU A 116 8.748 14.013 5.424 1.00 0.00 C ATOM 1840 CD1 LEU A 116 8.240 14.523 6.778 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.274 15.215 4.618 1.00 0.00 C ATOM 0 H LEU A 116 10.803 10.666 5.922 1.00 0.00 H new ATOM 0 HA LEU A 116 9.008 11.863 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.659 12.389 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.823 13.457 5.798 1.00 0.00 H new ATOM 0 HG LEU A 116 7.942 13.535 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.457 15.264 6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.837 13.689 7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 116 9.064 14.978 7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.471 15.938 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 116 10.095 15.685 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.629 14.874 3.646 1.00 0.00 H new ATOM 1853 N HIS A 117 12.164 11.986 3.304 1.00 0.00 N ATOM 1854 CA HIS A 117 13.133 12.494 2.267 1.00 0.00 C ATOM 1855 C HIS A 117 13.319 11.479 1.138 1.00 0.00 C ATOM 1856 O HIS A 117 13.060 11.780 -0.009 1.00 0.00 O ATOM 1857 CB HIS A 117 14.499 12.805 2.906 1.00 0.00 C ATOM 1858 CG HIS A 117 15.054 11.596 3.610 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.300 11.062 3.302 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.561 10.827 4.625 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.508 10.018 4.126 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.478 9.831 4.951 1.00 0.00 N ATOM 0 H HIS A 117 12.518 11.240 3.902 1.00 0.00 H new ATOM 0 HA HIS A 117 12.714 13.409 1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 117 15.197 13.135 2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 117 14.394 13.627 3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 117 13.603 10.970 5.103 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.399 9.408 4.119 1.00 0.00 H new ATOM 0 HE2 HIS A 117 15.382 9.112 5.668 1.00 0.00 H new ATOM 1870 N ARG A 118 13.776 10.284 1.428 1.00 0.00 N ATOM 1871 CA ARG A 118 13.988 9.285 0.329 1.00 0.00 C ATOM 1872 C ARG A 118 12.728 8.431 0.121 1.00 0.00 C ATOM 1873 O ARG A 118 12.192 7.846 1.041 1.00 0.00 O ATOM 1874 CB ARG A 118 15.198 8.396 0.677 1.00 0.00 C ATOM 1875 CG ARG A 118 14.864 7.467 1.855 1.00 0.00 C ATOM 1876 CD ARG A 118 16.141 6.771 2.351 1.00 0.00 C ATOM 1877 NE ARG A 118 15.803 5.797 3.432 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.637 4.835 3.735 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.757 4.707 3.077 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.346 3.998 4.693 1.00 0.00 N ATOM 0 H ARG A 118 14.009 9.958 2.366 1.00 0.00 H new ATOM 0 HA ARG A 118 14.188 9.814 -0.603 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.482 7.803 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 118 16.054 9.021 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.414 8.040 2.665 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.130 6.723 1.546 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.629 6.255 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.847 7.512 2.725 1.00 0.00 H new ATOM 0 HE ARG A 118 14.920 5.882 3.935 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.984 5.358 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.405 3.956 3.315 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.469 4.094 5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.995 3.248 4.930 1.00 0.00 H new ATOM 1894 N LEU A 119 12.258 8.373 -1.098 1.00 0.00 N ATOM 1895 CA LEU A 119 11.042 7.569 -1.426 1.00 0.00 C ATOM 1896 C LEU A 119 11.407 6.091 -1.659 1.00 0.00 C ATOM 1897 O LEU A 119 10.586 5.335 -2.112 1.00 0.00 O ATOM 1898 CB LEU A 119 10.394 8.116 -2.709 1.00 0.00 C ATOM 1899 CG LEU A 119 9.727 9.486 -2.467 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.511 9.333 -1.535 1.00 0.00 C ATOM 1901 CD2 LEU A 119 10.732 10.476 -1.859 1.00 0.00 C ATOM 0 H LEU A 119 12.673 8.857 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 119 10.352 7.641 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.151 8.211 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.650 7.407 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 119 9.389 9.876 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.051 10.308 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.785 8.660 -1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.835 8.922 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 119 10.243 11.436 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 119 11.096 10.087 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 119 11.571 10.608 -2.542 1.00 0.00 H new ATOM 1913 N ASP A 120 12.617 5.671 -1.372 1.00 0.00 N ATOM 1914 CA ASP A 120 12.993 4.221 -1.619 1.00 0.00 C ATOM 1915 C ASP A 120 12.908 3.429 -0.317 1.00 0.00 C ATOM 1916 O ASP A 120 13.859 2.813 0.122 1.00 0.00 O ATOM 1917 CB ASP A 120 14.420 4.123 -2.161 1.00 0.00 C ATOM 1918 CG ASP A 120 15.397 4.685 -1.129 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.941 5.113 -0.083 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.587 4.668 -1.401 1.00 0.00 O ATOM 0 H ASP A 120 13.359 6.253 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 120 12.297 3.810 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.666 3.084 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.504 4.677 -3.096 1.00 0.00 H new ATOM 1925 N GLY A 121 11.770 3.456 0.295 1.00 0.00 N ATOM 1926 CA GLY A 121 11.561 2.729 1.582 1.00 0.00 C ATOM 1927 C GLY A 121 11.539 1.218 1.379 1.00 0.00 C ATOM 1928 O GLY A 121 12.054 0.685 0.417 1.00 0.00 O ATOM 0 H GLY A 121 10.951 3.961 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.355 2.991 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.622 3.049 2.033 1.00 0.00 H new ATOM 1932 N MET A 122 10.892 0.535 2.293 1.00 0.00 N ATOM 1933 CA MET A 122 10.751 -0.946 2.207 1.00 0.00 C ATOM 1934 C MET A 122 9.269 -1.247 2.428 1.00 0.00 C ATOM 1935 O MET A 122 8.556 -0.440 2.991 1.00 0.00 O ATOM 1936 CB MET A 122 11.557 -1.624 3.328 1.00 0.00 C ATOM 1937 CG MET A 122 12.987 -1.071 3.354 1.00 0.00 C ATOM 1938 SD MET A 122 13.802 -1.408 1.779 1.00 0.00 S ATOM 1939 CE MET A 122 13.896 -3.208 1.948 1.00 0.00 C ATOM 0 H MET A 122 10.448 0.954 3.110 1.00 0.00 H new ATOM 0 HA MET A 122 11.113 -1.313 1.247 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.074 -1.451 4.290 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.578 -2.702 3.171 1.00 0.00 H new ATOM 0 HG2 MET A 122 12.968 0.003 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.548 -1.527 4.169 1.00 0.00 H new ATOM 0 HE1 MET A 122 14.637 -3.601 1.251 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.186 -3.463 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 122 12.922 -3.646 1.727 1.00 0.00 H new ATOM 1949 N GLY A 123 8.790 -2.383 2.014 1.00 0.00 N ATOM 1950 CA GLY A 123 7.343 -2.686 2.228 1.00 0.00 C ATOM 1951 C GLY A 123 7.117 -4.195 2.248 1.00 0.00 C ATOM 1952 O GLY A 123 7.260 -4.876 1.252 1.00 0.00 O ATOM 0 H GLY A 123 9.327 -3.110 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.008 -2.248 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.748 -2.232 1.435 1.00 0.00 H new ATOM 1956 N CYS A 124 6.774 -4.718 3.396 1.00 0.00 N ATOM 1957 CA CYS A 124 6.535 -6.182 3.516 1.00 0.00 C ATOM 1958 C CYS A 124 5.123 -6.528 3.065 1.00 0.00 C ATOM 1959 O CYS A 124 4.157 -5.909 3.471 1.00 0.00 O ATOM 1960 CB CYS A 124 6.722 -6.613 4.972 1.00 0.00 C ATOM 1961 SG CYS A 124 8.309 -6.003 5.593 1.00 0.00 S ATOM 0 H CYS A 124 6.649 -4.189 4.259 1.00 0.00 H new ATOM 0 HA CYS A 124 7.248 -6.707 2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 124 5.908 -6.224 5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.685 -7.700 5.047 1.00 0.00 H new ATOM 0 HG CYS A 124 8.461 -6.370 6.831 1.00 0.00 H new ATOM 1967 N LEU A 125 5.000 -7.545 2.252 1.00 0.00 N ATOM 1968 CA LEU A 125 3.646 -8.001 1.782 1.00 0.00 C ATOM 1969 C LEU A 125 3.483 -9.461 2.214 1.00 0.00 C ATOM 1970 O LEU A 125 4.388 -10.251 2.077 1.00 0.00 O ATOM 1971 CB LEU A 125 3.562 -7.851 0.256 1.00 0.00 C ATOM 1972 CG LEU A 125 2.269 -8.457 -0.307 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.058 -7.693 0.231 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.288 -8.342 -1.831 1.00 0.00 C ATOM 0 H LEU A 125 5.783 -8.087 1.887 1.00 0.00 H new ATOM 0 HA LEU A 125 2.845 -7.402 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.613 -6.795 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.422 -8.337 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 125 2.201 -9.503 -0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.144 -8.129 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.041 -7.758 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.125 -6.647 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.373 -8.770 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.356 -7.292 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.149 -8.882 -2.226 1.00 0.00 H new ATOM 1986 N GLU A 126 2.357 -9.816 2.773 1.00 0.00 N ATOM 1987 CA GLU A 126 2.169 -11.235 3.247 1.00 0.00 C ATOM 1988 C GLU A 126 0.688 -11.659 3.232 1.00 0.00 C ATOM 1989 O GLU A 126 -0.187 -10.918 3.627 1.00 0.00 O ATOM 1990 CB GLU A 126 2.673 -11.369 4.692 1.00 0.00 C ATOM 1991 CG GLU A 126 4.167 -11.050 4.771 1.00 0.00 C ATOM 1992 CD GLU A 126 4.692 -11.410 6.165 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.010 -11.104 7.129 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.764 -11.989 6.244 1.00 0.00 O ATOM 0 H GLU A 126 1.561 -9.197 2.925 1.00 0.00 H new ATOM 0 HA GLU A 126 2.731 -11.874 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.116 -10.694 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.492 -12.381 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.710 -11.610 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.335 -9.992 4.569 1.00 0.00 H new ATOM 2001 N PHE A 127 0.420 -12.882 2.827 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.985 -13.405 2.843 1.00 0.00 C ATOM 2003 C PHE A 127 -1.310 -13.871 4.280 1.00 0.00 C ATOM 2004 O PHE A 127 -1.046 -14.998 4.645 1.00 0.00 O ATOM 2005 CB PHE A 127 -1.102 -14.586 1.841 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.792 -14.163 0.551 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.065 -13.563 -0.493 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.164 -14.408 0.392 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.715 -13.212 -1.686 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.810 -14.054 -0.798 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.085 -13.456 -1.838 1.00 0.00 C ATOM 0 H PHE A 127 1.119 -13.542 2.485 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.692 -12.631 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -0.108 -14.970 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.660 -15.401 2.302 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.008 -13.373 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.724 -14.872 1.191 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.157 -12.753 -2.489 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.867 -14.242 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.583 -13.184 -2.757 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.870 -13.010 5.098 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.202 -13.405 6.508 1.00 0.00 C ATOM 2023 C ASP A 128 -3.478 -12.690 6.933 1.00 0.00 C ATOM 2024 O ASP A 128 -3.800 -12.596 8.099 1.00 0.00 O ATOM 2025 CB ASP A 128 -1.049 -12.984 7.430 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.274 -13.507 8.854 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.309 -14.104 9.096 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.401 -13.293 9.684 1.00 0.00 O ATOM 0 H ASP A 128 -2.112 -12.050 4.851 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.346 -14.484 6.572 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.107 -13.369 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.967 -11.897 7.445 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.189 -12.156 5.993 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.426 -11.407 6.334 1.00 0.00 C ATOM 2035 C GLU A 129 -6.514 -12.331 6.910 1.00 0.00 C ATOM 2036 O GLU A 129 -6.984 -13.281 6.289 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.911 -10.673 5.080 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.944 -9.536 4.716 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.948 -8.456 5.802 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.255 -8.629 6.788 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.635 -7.469 5.625 1.00 0.00 O ATOM 0 H GLU A 129 -3.970 -12.204 4.998 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.204 -10.681 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.988 -11.373 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.909 -10.269 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.936 -9.933 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.232 -9.099 3.760 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.931 -12.034 8.109 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.990 -12.848 8.750 1.00 0.00 C ATOM 2050 C GLU A 130 -9.265 -12.730 7.935 1.00 0.00 C ATOM 2051 O GLU A 130 -10.037 -13.656 7.858 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.240 -12.352 10.175 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.823 -10.935 10.138 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.837 -10.347 11.552 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -9.762 -10.654 12.288 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.932 -9.598 11.871 1.00 0.00 O ATOM 0 H GLU A 130 -6.580 -11.259 8.671 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.674 -13.890 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.927 -13.024 10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.308 -12.357 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.229 -10.304 9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.835 -10.958 9.733 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.508 -11.613 7.295 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.754 -11.543 6.493 1.00 0.00 C ATOM 2065 C ARG A 131 -10.564 -12.494 5.314 1.00 0.00 C ATOM 2066 O ARG A 131 -11.500 -12.860 4.635 1.00 0.00 O ATOM 2067 CB ARG A 131 -11.092 -10.117 6.015 1.00 0.00 C ATOM 2068 CG ARG A 131 -10.211 -9.689 4.844 1.00 0.00 C ATOM 2069 CD ARG A 131 -10.433 -8.196 4.560 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.836 -7.846 3.240 1.00 0.00 N ATOM 2071 CZ ARG A 131 -10.150 -6.719 2.660 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.978 -5.895 3.240 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -9.642 -6.415 1.497 1.00 0.00 N ATOM 0 H ARG A 131 -8.920 -10.780 7.294 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.604 -11.834 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -12.140 -10.072 5.717 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.965 -9.417 6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.162 -9.875 5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -10.451 -10.279 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -11.499 -7.970 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -9.979 -7.594 5.347 1.00 0.00 H new ATOM 0 HE ARG A 131 -9.182 -8.487 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -11.381 -6.131 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -11.223 -5.015 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -8.997 -7.059 1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -9.890 -5.534 1.047 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.340 -12.926 5.092 1.00 0.00 N ATOM 2088 CA ALA A 132 -9.081 -13.891 3.986 1.00 0.00 C ATOM 2089 C ALA A 132 -9.857 -15.154 4.280 1.00 0.00 C ATOM 2090 O ALA A 132 -10.557 -15.669 3.435 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.587 -14.252 3.896 1.00 0.00 C ATOM 0 H ALA A 132 -8.518 -12.650 5.629 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.385 -13.437 3.043 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.432 -14.957 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.005 -13.349 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.265 -14.705 4.833 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.744 -15.674 5.466 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.505 -16.931 5.749 1.00 0.00 C ATOM 2099 C GLN A 133 -12.026 -16.663 5.667 1.00 0.00 C ATOM 2100 O GLN A 133 -12.781 -17.477 5.160 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.141 -17.496 7.141 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.901 -16.754 8.246 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.308 -17.097 9.612 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.112 -17.007 9.819 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -11.109 -17.489 10.561 1.00 0.00 N ATOM 0 H GLN A 133 -9.181 -15.304 6.232 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.232 -17.671 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.379 -18.559 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -9.068 -17.403 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.846 -15.679 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.956 -17.028 8.220 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.111 -17.563 10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.735 -17.722 11.481 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.491 -15.543 6.174 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.965 -15.275 6.139 1.00 0.00 C ATOM 2116 C GLN A 134 -14.418 -14.822 4.730 1.00 0.00 C ATOM 2117 O GLN A 134 -15.462 -15.230 4.252 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.322 -14.210 7.205 1.00 0.00 C ATOM 2119 CG GLN A 134 -14.256 -12.798 6.614 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.260 -11.766 7.739 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.605 -11.944 8.747 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.971 -10.680 7.607 1.00 0.00 N ATOM 0 H GLN A 134 -11.923 -14.813 6.604 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.496 -16.199 6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.323 -14.399 7.592 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.634 -14.288 8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.355 -12.688 6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -15.105 -12.631 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -15.521 -10.530 6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.977 -9.981 8.350 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.659 -13.971 4.071 1.00 0.00 N ATOM 2132 CA GLU A 135 -14.081 -13.505 2.714 1.00 0.00 C ATOM 2133 C GLU A 135 -13.951 -14.660 1.737 1.00 0.00 C ATOM 2134 O GLU A 135 -14.689 -14.778 0.781 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.215 -12.314 2.250 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.943 -12.798 1.552 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.983 -11.623 1.389 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.376 -10.516 1.720 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.878 -11.845 0.930 1.00 0.00 O ATOM 0 H GLU A 135 -12.778 -13.586 4.412 1.00 0.00 H new ATOM 0 HA GLU A 135 -15.117 -13.169 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.790 -11.685 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.950 -11.697 3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.472 -13.590 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -12.187 -13.222 0.578 1.00 0.00 H new ATOM 2146 N ASP A 136 -13.012 -15.520 1.964 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.859 -16.645 1.029 1.00 0.00 C ATOM 2148 C ASP A 136 -14.157 -17.436 1.024 1.00 0.00 C ATOM 2149 O ASP A 136 -14.612 -17.887 -0.008 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.717 -17.554 1.463 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.507 -18.617 0.387 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.344 -18.704 -0.499 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.513 -19.319 0.461 1.00 0.00 O ATOM 0 H ASP A 136 -12.355 -15.493 2.744 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.633 -16.263 0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.805 -16.974 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.949 -18.024 2.419 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.766 -17.613 2.163 1.00 0.00 N ATOM 2159 CA ALA A 137 -16.040 -18.383 2.179 1.00 0.00 C ATOM 2160 C ALA A 137 -17.111 -17.655 1.346 1.00 0.00 C ATOM 2161 O ALA A 137 -17.738 -18.240 0.486 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.523 -18.541 3.623 1.00 0.00 C ATOM 0 H ALA A 137 -14.445 -17.266 3.067 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.868 -19.368 1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.456 -19.105 3.635 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.769 -19.074 4.202 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.688 -17.557 4.061 1.00 0.00 H new ATOM 2168 N LEU A 138 -17.329 -16.381 1.592 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.365 -15.621 0.809 1.00 0.00 C ATOM 2170 C LEU A 138 -17.792 -15.041 -0.493 1.00 0.00 C ATOM 2171 O LEU A 138 -18.492 -14.398 -1.249 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.952 -14.492 1.661 1.00 0.00 C ATOM 2173 CG LEU A 138 -17.848 -13.618 2.275 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -17.185 -12.736 1.198 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -18.474 -12.716 3.344 1.00 0.00 C ATOM 0 H LEU A 138 -16.836 -15.835 2.299 1.00 0.00 H new ATOM 0 HA LEU A 138 -19.151 -16.328 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -19.607 -13.874 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -19.566 -14.916 2.456 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.087 -14.264 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -16.407 -12.126 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -16.744 -13.370 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -17.936 -12.087 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -17.701 -12.089 3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -19.235 -12.084 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -18.931 -13.332 4.118 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.534 -15.253 -0.757 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.920 -14.697 -2.007 1.00 0.00 C ATOM 2189 C ALA A 139 -16.680 -15.257 -3.211 1.00 0.00 C ATOM 2190 O ALA A 139 -16.760 -14.637 -4.254 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.443 -15.114 -2.080 1.00 0.00 C ATOM 0 H ALA A 139 -15.899 -15.787 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.979 -13.609 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.995 -14.710 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.912 -14.726 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.372 -16.202 -2.093 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.256 -16.414 -3.070 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.036 -16.995 -4.196 1.00 0.00 C ATOM 2199 C GLN A 140 -19.397 -16.313 -4.269 1.00 0.00 C ATOM 2200 O GLN A 140 -20.119 -16.445 -5.235 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.232 -18.480 -3.960 1.00 0.00 C ATOM 2202 CG GLN A 140 -16.863 -19.145 -3.876 1.00 0.00 C ATOM 2203 CD GLN A 140 -17.038 -20.639 -3.636 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.032 -21.063 -3.083 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.108 -21.465 -4.031 1.00 0.00 N ATOM 0 H GLN A 140 -17.221 -16.984 -2.225 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.497 -16.842 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.790 -18.646 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -18.816 -18.918 -4.770 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.308 -18.977 -4.799 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.281 -18.702 -3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.273 -21.108 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -16.216 -22.467 -3.875 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.749 -15.564 -3.259 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.054 -14.851 -3.279 1.00 0.00 C ATOM 2216 C GLN A 141 -20.814 -13.481 -3.900 1.00 0.00 C ATOM 2217 O GLN A 141 -20.728 -13.416 -5.115 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.582 -14.697 -1.846 1.00 0.00 C ATOM 2219 CG GLN A 141 -23.003 -14.125 -1.876 1.00 0.00 C ATOM 2220 CD GLN A 141 -23.560 -14.050 -0.447 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -22.896 -14.432 0.494 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -24.767 -13.590 -0.245 1.00 0.00 N ATOM 2223 OXT GLN A 141 -20.693 -12.527 -3.154 1.00 0.00 O ATOM 0 H GLN A 141 -19.187 -15.416 -2.421 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.793 -15.407 -3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.580 -15.663 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.927 -14.038 -1.276 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -22.997 -13.133 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -23.645 -14.752 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -25.329 -13.268 -1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -25.147 -13.553 0.701 1.00 0.00 H new TER 2232 GLN A 141