USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 886 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: B 15 MET CE :methyl -123:sc= 0 (180deg=0) USER MOD Set 1.2: B 17 MET CE :methyl 147:sc= -1.78 (180deg=-0.574) USER MOD Set 1.3: B 23 GLN : amide:sc= -2.18 K(o=-4,f=-9.8!) USER MOD Set 2.1: A 12 ASN : amide:sc= -1.85 K(o=-5.8,f=-6.5) USER MOD Set 2.2: A 15 MET CE :methyl -121:sc=-0.00161 (180deg=0) USER MOD Set 2.3: A 17 MET CE :methyl 145:sc= -1.82 (180deg=-0.576) USER MOD Set 2.4: A 23 GLN : amide:sc= -2.15 K(o=-5.8,f=-12!) USER MOD Single : A 18 SER OG : rot -150:sc= -0.228 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.38) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 134:sc= -1.97! (180deg=-2.27!) USER MOD Single : A 34 MET CE :methyl -176:sc= -1.38 (180deg=-1.46) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -6.58! C(o=-6.6!,f=-6.1!) USER MOD Single : A 38 GLN : amide:sc= -0.415 X(o=-0.41,f=-0.34) USER MOD Single : A 39 ASN : amide:sc= -0.525 K(o=-0.52,f=-4.7!) USER MOD Single : A 47 GLN : amide:sc= -0.0207 K(o=-0.021,f=-2!) USER MOD Single : A 51 GLN : amide:sc= -3.27! K(o=-3.3!,f=-0.81) USER MOD Single : A 53 HIS : no HD1:sc=-0.00505 X(o=-0.005,f=-0.29) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot -176:sc= 0.486 USER MOD Single : B 12 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.5) USER MOD Single : B 18 SER OG : rot -150:sc= -0.2 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.33) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 33 MET CE :methyl 136:sc= -3.21! (180deg=-3.59!) USER MOD Single : B 34 MET CE :methyl -176:sc= -1.63 (180deg=-1.78) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -6.67! C(o=-6.7!,f=-5.9!) USER MOD Single : B 38 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.32) USER MOD Single : B 39 ASN : amide:sc= -0.556 K(o=-0.56,f=-4.8!) USER MOD Single : B 47 GLN : amide:sc= -0.0273 K(o=-0.027,f=-2!) USER MOD Single : B 51 GLN : amide:sc= -3.12! K(o=-3.1!,f=-0.83) USER MOD Single : B 53 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.26) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot -174:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -29.918 24.757 -27.353 1.00 0.00 N ATOM 2 CA LEU A 8 -28.990 23.938 -26.521 1.00 0.00 C ATOM 3 C LEU A 8 -27.589 23.933 -27.139 1.00 0.00 C ATOM 4 O LEU A 8 -27.429 23.804 -28.337 1.00 0.00 O ATOM 5 CB LEU A 8 -29.585 22.530 -26.532 1.00 0.00 C ATOM 6 CG LEU A 8 -30.346 22.287 -25.227 1.00 0.00 C ATOM 7 CD1 LEU A 8 -31.831 22.083 -25.533 1.00 0.00 C ATOM 8 CD2 LEU A 8 -29.793 21.036 -24.541 1.00 0.00 C ATOM 0 HA LEU A 8 -28.889 24.330 -25.509 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -30.256 22.414 -27.383 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -28.793 21.790 -26.647 1.00 0.00 H new ATOM 0 HG LEU A 8 -30.224 23.148 -24.570 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -32.374 21.910 -24.604 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -32.227 22.972 -26.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -31.952 21.222 -26.190 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.334 20.862 -23.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -29.916 20.176 -25.199 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -28.734 21.178 -24.323 1.00 0.00 H new ATOM 20 N GLU A 9 -26.573 24.074 -26.332 1.00 0.00 N ATOM 21 CA GLU A 9 -25.184 24.079 -26.876 1.00 0.00 C ATOM 22 C GLU A 9 -24.179 23.747 -25.765 1.00 0.00 C ATOM 23 O GLU A 9 -23.252 24.495 -25.530 1.00 0.00 O ATOM 24 CB GLU A 9 -24.965 25.502 -27.391 1.00 0.00 C ATOM 25 CG GLU A 9 -25.209 26.498 -26.257 1.00 0.00 C ATOM 26 CD GLU A 9 -24.277 27.700 -26.423 1.00 0.00 C ATOM 27 OE1 GLU A 9 -24.563 28.533 -27.268 1.00 0.00 O ATOM 28 OE2 GLU A 9 -23.294 27.767 -25.704 1.00 0.00 O ATOM 0 H GLU A 9 -26.644 24.186 -25.321 1.00 0.00 H new ATOM 0 HA GLU A 9 -25.045 23.336 -27.662 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.949 25.610 -27.772 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -25.640 25.708 -28.221 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -26.248 26.827 -26.265 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -25.033 26.019 -25.294 1.00 0.00 H new ATOM 35 N PRO A 10 -24.396 22.631 -25.112 1.00 0.00 N ATOM 36 CA PRO A 10 -23.490 22.207 -24.016 1.00 0.00 C ATOM 37 C PRO A 10 -22.155 21.720 -24.585 1.00 0.00 C ATOM 38 O PRO A 10 -21.098 22.111 -24.132 1.00 0.00 O ATOM 39 CB PRO A 10 -24.245 21.061 -23.348 1.00 0.00 C ATOM 40 CG PRO A 10 -25.152 20.523 -24.408 1.00 0.00 C ATOM 41 CD PRO A 10 -25.487 21.668 -25.328 1.00 0.00 C ATOM 0 HA PRO A 10 -23.250 23.014 -23.323 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -23.559 20.293 -22.989 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -24.811 21.412 -22.485 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -24.666 19.717 -24.958 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.057 20.107 -23.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -25.533 21.344 -26.368 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -26.457 22.103 -25.087 1.00 0.00 H new ATOM 49 N ASP A 11 -22.197 20.871 -25.580 1.00 0.00 N ATOM 50 CA ASP A 11 -20.936 20.347 -26.193 1.00 0.00 C ATOM 51 C ASP A 11 -20.104 19.599 -25.147 1.00 0.00 C ATOM 52 O ASP A 11 -20.132 18.387 -25.070 1.00 0.00 O ATOM 53 CB ASP A 11 -20.182 21.580 -26.704 1.00 0.00 C ATOM 54 CG ASP A 11 -20.170 21.572 -28.234 1.00 0.00 C ATOM 55 OD1 ASP A 11 -21.161 21.157 -28.812 1.00 0.00 O ATOM 56 OD2 ASP A 11 -19.170 21.981 -28.800 1.00 0.00 O ATOM 0 H ASP A 11 -23.057 20.515 -25.998 1.00 0.00 H new ATOM 0 HA ASP A 11 -21.140 19.641 -26.998 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -20.659 22.489 -26.338 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -19.161 21.580 -26.322 1.00 0.00 H new ATOM 61 N ASN A 12 -19.364 20.310 -24.343 1.00 0.00 N ATOM 62 CA ASN A 12 -18.530 19.639 -23.305 1.00 0.00 C ATOM 63 C ASN A 12 -18.232 20.609 -22.157 1.00 0.00 C ATOM 64 O ASN A 12 -17.266 20.457 -21.437 1.00 0.00 O ATOM 65 CB ASN A 12 -17.241 19.248 -24.028 1.00 0.00 C ATOM 66 CG ASN A 12 -16.568 18.091 -23.287 1.00 0.00 C ATOM 67 OD1 ASN A 12 -16.360 17.034 -23.848 1.00 0.00 O ATOM 68 ND2 ASN A 12 -16.216 18.248 -22.041 1.00 0.00 N ATOM 0 H ASN A 12 -19.300 21.328 -24.359 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.029 18.775 -22.867 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.462 18.956 -25.055 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.566 20.103 -24.078 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.766 17.483 -21.538 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.391 19.136 -21.570 1.00 0.00 H new ATOM 75 N VAL A 13 -19.050 21.610 -21.987 1.00 0.00 N ATOM 76 CA VAL A 13 -18.809 22.591 -20.891 1.00 0.00 C ATOM 77 C VAL A 13 -19.364 22.051 -19.556 1.00 0.00 C ATOM 78 O VAL A 13 -18.620 21.891 -18.609 1.00 0.00 O ATOM 79 CB VAL A 13 -19.522 23.874 -21.362 1.00 0.00 C ATOM 80 CG1 VAL A 13 -19.962 24.737 -20.170 1.00 0.00 C ATOM 81 CG2 VAL A 13 -18.558 24.685 -22.231 1.00 0.00 C ATOM 0 H VAL A 13 -19.875 21.792 -22.559 1.00 0.00 H new ATOM 0 HA VAL A 13 -17.752 22.780 -20.702 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.409 23.588 -21.927 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.462 25.634 -20.535 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -20.649 24.169 -19.543 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -19.088 25.021 -19.584 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.052 25.596 -22.570 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.675 24.947 -21.648 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -18.259 24.091 -23.095 1.00 0.00 H new ATOM 91 N PRO A 14 -20.649 21.791 -19.515 1.00 0.00 N ATOM 92 CA PRO A 14 -21.269 21.272 -18.271 1.00 0.00 C ATOM 93 C PRO A 14 -20.907 19.799 -18.070 1.00 0.00 C ATOM 94 O PRO A 14 -20.435 19.402 -17.023 1.00 0.00 O ATOM 95 CB PRO A 14 -22.766 21.426 -18.523 1.00 0.00 C ATOM 96 CG PRO A 14 -22.914 21.410 -20.010 1.00 0.00 C ATOM 97 CD PRO A 14 -21.633 21.947 -20.594 1.00 0.00 C ATOM 0 HA PRO A 14 -20.934 21.797 -17.376 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -23.329 20.614 -18.062 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -23.143 22.357 -18.099 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -23.104 20.398 -20.366 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -23.763 22.021 -20.318 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -21.338 21.392 -21.484 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -21.737 22.991 -20.889 1.00 0.00 H new ATOM 105 N MET A 15 -21.131 18.987 -19.065 1.00 0.00 N ATOM 106 CA MET A 15 -20.807 17.538 -18.935 1.00 0.00 C ATOM 107 C MET A 15 -21.483 16.958 -17.689 1.00 0.00 C ATOM 108 O MET A 15 -22.401 17.539 -17.143 1.00 0.00 O ATOM 109 CB MET A 15 -19.285 17.480 -18.799 1.00 0.00 C ATOM 110 CG MET A 15 -18.751 16.259 -19.550 1.00 0.00 C ATOM 111 SD MET A 15 -18.592 16.652 -21.309 1.00 0.00 S ATOM 112 CE MET A 15 -18.304 14.963 -21.894 1.00 0.00 C ATOM 0 H MET A 15 -21.525 19.264 -19.964 1.00 0.00 H new ATOM 0 HA MET A 15 -21.159 16.957 -19.787 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.839 18.390 -19.200 1.00 0.00 H new ATOM 0 HB3 MET A 15 -19.005 17.424 -17.747 1.00 0.00 H new ATOM 0 HG2 MET A 15 -17.784 15.964 -19.144 1.00 0.00 H new ATOM 0 HG3 MET A 15 -19.425 15.413 -19.415 1.00 0.00 H new ATOM 0 HE1 MET A 15 -17.342 14.914 -22.405 1.00 0.00 H new ATOM 0 HE2 MET A 15 -18.299 14.280 -21.045 1.00 0.00 H new ATOM 0 HE3 MET A 15 -19.097 14.677 -22.585 1.00 0.00 H new ATOM 122 N ASP A 16 -21.039 15.818 -17.232 1.00 0.00 N ATOM 123 CA ASP A 16 -21.662 15.210 -16.020 1.00 0.00 C ATOM 124 C ASP A 16 -20.770 14.098 -15.463 1.00 0.00 C ATOM 125 O ASP A 16 -21.090 12.930 -15.550 1.00 0.00 O ATOM 126 CB ASP A 16 -22.995 14.638 -16.504 1.00 0.00 C ATOM 127 CG ASP A 16 -24.105 15.666 -16.280 1.00 0.00 C ATOM 128 OD1 ASP A 16 -24.372 15.980 -15.132 1.00 0.00 O ATOM 129 OD2 ASP A 16 -24.670 16.121 -17.261 1.00 0.00 O ATOM 0 H ASP A 16 -20.275 15.283 -17.644 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.797 15.936 -15.219 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.930 14.382 -17.562 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.224 13.718 -15.967 1.00 0.00 H new ATOM 134 N MET A 17 -19.651 14.455 -14.889 1.00 0.00 N ATOM 135 CA MET A 17 -18.732 13.422 -14.324 1.00 0.00 C ATOM 136 C MET A 17 -17.514 14.096 -13.687 1.00 0.00 C ATOM 137 O MET A 17 -17.083 13.733 -12.609 1.00 0.00 O ATOM 138 CB MET A 17 -18.304 12.555 -15.515 1.00 0.00 C ATOM 139 CG MET A 17 -17.789 13.445 -16.649 1.00 0.00 C ATOM 140 SD MET A 17 -17.590 12.452 -18.150 1.00 0.00 S ATOM 141 CE MET A 17 -16.169 13.345 -18.828 1.00 0.00 C ATOM 0 H MET A 17 -19.333 15.419 -14.787 1.00 0.00 H new ATOM 0 HA MET A 17 -19.214 12.827 -13.549 1.00 0.00 H new ATOM 0 HB2 MET A 17 -17.526 11.857 -15.207 1.00 0.00 H new ATOM 0 HB3 MET A 17 -19.147 11.959 -15.863 1.00 0.00 H new ATOM 0 HG2 MET A 17 -18.487 14.262 -16.830 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.837 13.895 -16.369 1.00 0.00 H new ATOM 0 HE1 MET A 17 -15.509 12.644 -19.340 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.516 14.098 -19.535 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.625 13.831 -18.018 1.00 0.00 H new ATOM 151 N SER A 18 -16.956 15.076 -14.345 1.00 0.00 N ATOM 152 CA SER A 18 -15.765 15.780 -13.784 1.00 0.00 C ATOM 153 C SER A 18 -15.346 16.917 -14.727 1.00 0.00 C ATOM 154 O SER A 18 -15.267 16.719 -15.923 1.00 0.00 O ATOM 155 CB SER A 18 -14.669 14.717 -13.709 1.00 0.00 C ATOM 156 OG SER A 18 -14.778 13.850 -14.830 1.00 0.00 O ATOM 0 H SER A 18 -17.274 15.421 -15.250 1.00 0.00 H new ATOM 0 HA SER A 18 -15.964 16.222 -12.808 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.687 15.191 -13.695 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.761 14.148 -12.784 1.00 0.00 H new ATOM 0 HG SER A 18 -14.455 12.957 -14.586 1.00 0.00 H new ATOM 162 N PRO A 19 -15.096 18.076 -14.168 1.00 0.00 N ATOM 163 CA PRO A 19 -14.694 19.235 -14.996 1.00 0.00 C ATOM 164 C PRO A 19 -13.210 19.156 -15.378 1.00 0.00 C ATOM 165 O PRO A 19 -12.461 20.089 -15.171 1.00 0.00 O ATOM 166 CB PRO A 19 -14.965 20.433 -14.092 1.00 0.00 C ATOM 167 CG PRO A 19 -14.896 19.904 -12.693 1.00 0.00 C ATOM 168 CD PRO A 19 -15.167 18.419 -12.741 1.00 0.00 C ATOM 0 HA PRO A 19 -15.236 19.286 -15.941 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.227 21.219 -14.251 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.943 20.867 -14.299 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.915 20.098 -12.260 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.628 20.405 -12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.430 17.862 -12.162 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.146 18.181 -12.324 1.00 0.00 H new ATOM 176 N LYS A 20 -12.788 18.055 -15.955 1.00 0.00 N ATOM 177 CA LYS A 20 -11.356 17.904 -16.380 1.00 0.00 C ATOM 178 C LYS A 20 -10.406 17.920 -15.176 1.00 0.00 C ATOM 179 O LYS A 20 -9.767 16.934 -14.869 1.00 0.00 O ATOM 180 CB LYS A 20 -11.072 19.092 -17.304 1.00 0.00 C ATOM 181 CG LYS A 20 -9.816 18.808 -18.130 1.00 0.00 C ATOM 182 CD LYS A 20 -8.587 19.326 -17.384 1.00 0.00 C ATOM 183 CE LYS A 20 -7.552 19.830 -18.392 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.267 19.208 -17.967 1.00 0.00 N ATOM 0 H LYS A 20 -13.379 17.247 -16.152 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.196 16.949 -16.881 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.922 19.265 -17.964 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.936 19.999 -16.716 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.721 17.737 -18.310 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.892 19.289 -19.105 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.872 20.131 -16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.158 18.532 -16.773 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.815 19.537 -19.408 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.487 20.918 -18.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.507 19.507 -18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.039 19.510 -16.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.357 18.172 -17.994 1.00 0.00 H new ATOM 198 N ALA A 21 -10.294 19.036 -14.502 1.00 0.00 N ATOM 199 CA ALA A 21 -9.372 19.126 -13.326 1.00 0.00 C ATOM 200 C ALA A 21 -9.520 17.906 -12.411 1.00 0.00 C ATOM 201 O ALA A 21 -8.546 17.329 -11.970 1.00 0.00 O ATOM 202 CB ALA A 21 -9.798 20.398 -12.592 1.00 0.00 C ATOM 0 H ALA A 21 -10.803 19.894 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.327 19.152 -13.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.169 20.539 -11.713 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.690 21.255 -13.257 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.839 20.308 -12.283 1.00 0.00 H new ATOM 208 N LEU A 22 -10.727 17.508 -12.124 1.00 0.00 N ATOM 209 CA LEU A 22 -10.933 16.323 -11.239 1.00 0.00 C ATOM 210 C LEU A 22 -10.758 15.037 -12.044 1.00 0.00 C ATOM 211 O LEU A 22 -10.137 14.091 -11.602 1.00 0.00 O ATOM 212 CB LEU A 22 -12.372 16.444 -10.737 1.00 0.00 C ATOM 213 CG LEU A 22 -12.459 17.558 -9.696 1.00 0.00 C ATOM 214 CD1 LEU A 22 -12.378 18.911 -10.400 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.789 17.455 -8.948 1.00 0.00 C ATOM 0 H LEU A 22 -11.581 17.950 -12.463 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.218 16.291 -10.417 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.042 16.658 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.697 15.499 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.636 17.462 -8.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.440 19.710 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.432 18.986 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.204 19.004 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.851 18.250 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.613 17.554 -9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.852 16.487 -8.450 1.00 0.00 H new ATOM 227 N GLN A 23 -11.310 15.000 -13.223 1.00 0.00 N ATOM 228 CA GLN A 23 -11.190 13.777 -14.071 1.00 0.00 C ATOM 229 C GLN A 23 -9.728 13.330 -14.171 1.00 0.00 C ATOM 230 O GLN A 23 -9.421 12.157 -14.096 1.00 0.00 O ATOM 231 CB GLN A 23 -11.717 14.199 -15.443 1.00 0.00 C ATOM 232 CG GLN A 23 -12.026 12.954 -16.276 1.00 0.00 C ATOM 233 CD GLN A 23 -12.646 13.372 -17.610 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.558 12.732 -18.097 1.00 0.00 O ATOM 235 NE2 GLN A 23 -12.188 14.427 -18.226 1.00 0.00 N ATOM 0 H GLN A 23 -11.841 15.765 -13.640 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.745 12.935 -13.657 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -12.616 14.805 -15.328 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -10.979 14.817 -15.954 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.113 12.384 -16.450 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.710 12.302 -15.734 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.423 14.964 -17.818 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.595 14.715 -19.116 1.00 0.00 H new ATOM 244 N GLN A 24 -8.824 14.254 -14.347 1.00 0.00 N ATOM 245 CA GLN A 24 -7.384 13.878 -14.459 1.00 0.00 C ATOM 246 C GLN A 24 -6.782 13.631 -13.071 1.00 0.00 C ATOM 247 O GLN A 24 -6.054 12.682 -12.862 1.00 0.00 O ATOM 248 CB GLN A 24 -6.713 15.078 -15.128 1.00 0.00 C ATOM 249 CG GLN A 24 -5.501 14.602 -15.931 1.00 0.00 C ATOM 250 CD GLN A 24 -5.959 13.641 -17.029 1.00 0.00 C ATOM 251 OE1 GLN A 24 -6.677 14.028 -17.930 1.00 0.00 O ATOM 252 NE2 GLN A 24 -5.573 12.395 -16.992 1.00 0.00 N ATOM 0 H GLN A 24 -9.019 15.253 -14.418 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.244 12.959 -15.029 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.421 15.585 -15.784 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.402 15.801 -14.374 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.986 15.456 -16.372 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.788 14.105 -15.273 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.970 12.070 -16.236 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.874 11.746 -17.719 1.00 0.00 H new ATOM 261 N LYS A 25 -7.076 14.480 -12.124 1.00 0.00 N ATOM 262 CA LYS A 25 -6.512 14.294 -10.756 1.00 0.00 C ATOM 263 C LYS A 25 -7.021 12.987 -10.139 1.00 0.00 C ATOM 264 O LYS A 25 -6.318 12.322 -9.405 1.00 0.00 O ATOM 265 CB LYS A 25 -7.015 15.494 -9.952 1.00 0.00 C ATOM 266 CG LYS A 25 -5.905 16.542 -9.851 1.00 0.00 C ATOM 267 CD LYS A 25 -5.666 17.170 -11.225 1.00 0.00 C ATOM 268 CE LYS A 25 -4.186 17.531 -11.372 1.00 0.00 C ATOM 269 NZ LYS A 25 -3.772 16.936 -12.673 1.00 0.00 N ATOM 0 H LYS A 25 -7.681 15.293 -12.238 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.424 14.235 -10.768 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.894 15.925 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.321 15.175 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.182 17.312 -9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.987 16.081 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.961 16.474 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.282 18.062 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.041 18.611 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.597 17.127 -10.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.767 17.141 -12.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.915 15.906 -12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.345 17.344 -13.439 1.00 0.00 H new ATOM 283 N ILE A 26 -8.239 12.616 -10.426 1.00 0.00 N ATOM 284 CA ILE A 26 -8.787 11.354 -9.850 1.00 0.00 C ATOM 285 C ILE A 26 -8.194 10.138 -10.565 1.00 0.00 C ATOM 286 O ILE A 26 -7.689 9.224 -9.943 1.00 0.00 O ATOM 287 CB ILE A 26 -10.295 11.433 -10.087 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.869 12.624 -9.314 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.958 10.144 -9.600 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.297 12.899 -9.787 1.00 0.00 C ATOM 0 H ILE A 26 -8.877 13.130 -11.033 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.544 11.246 -8.793 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.489 11.560 -11.152 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.863 12.414 -8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.247 13.506 -9.469 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.033 10.201 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.549 9.295 -10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.765 10.015 -8.535 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.706 13.747 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.290 13.128 -10.853 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.915 12.019 -9.609 1.00 0.00 H new ATOM 302 N HIS A 27 -8.252 10.117 -11.869 1.00 0.00 N ATOM 303 CA HIS A 27 -7.692 8.957 -12.622 1.00 0.00 C ATOM 304 C HIS A 27 -6.178 8.865 -12.413 1.00 0.00 C ATOM 305 O HIS A 27 -5.585 7.815 -12.559 1.00 0.00 O ATOM 306 CB HIS A 27 -8.015 9.245 -14.088 1.00 0.00 C ATOM 307 CG HIS A 27 -9.365 8.675 -14.427 1.00 0.00 C ATOM 308 ND1 HIS A 27 -9.521 7.385 -14.911 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.629 9.205 -14.355 1.00 0.00 C ATOM 310 CE1 HIS A 27 -10.837 7.185 -15.111 1.00 0.00 C ATOM 311 NE2 HIS A 27 -11.557 8.263 -14.788 1.00 0.00 N ATOM 0 H HIS A 27 -8.662 10.852 -12.445 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.113 8.008 -12.289 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.007 10.320 -14.269 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.252 8.808 -14.732 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.867 10.202 -14.014 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.259 6.265 -15.487 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.569 8.372 -14.846 1.00 0.00 H new ATOM 319 N GLU A 28 -5.548 9.956 -12.074 1.00 0.00 N ATOM 320 CA GLU A 28 -4.072 9.928 -11.859 1.00 0.00 C ATOM 321 C GLU A 28 -3.744 9.371 -10.470 1.00 0.00 C ATOM 322 O GLU A 28 -3.064 8.374 -10.335 1.00 0.00 O ATOM 323 CB GLU A 28 -3.628 11.388 -11.969 1.00 0.00 C ATOM 324 CG GLU A 28 -3.424 11.750 -13.442 1.00 0.00 C ATOM 325 CD GLU A 28 -2.013 11.351 -13.875 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.520 10.354 -13.372 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.450 12.047 -14.703 1.00 0.00 O ATOM 0 H GLU A 28 -5.990 10.865 -11.937 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.564 9.290 -12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.378 12.042 -11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.702 11.540 -11.414 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.163 11.239 -14.059 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.572 12.820 -13.588 1.00 0.00 H new ATOM 334 N LEU A 29 -4.220 10.011 -9.437 1.00 0.00 N ATOM 335 CA LEU A 29 -3.931 9.522 -8.058 1.00 0.00 C ATOM 336 C LEU A 29 -4.342 8.053 -7.913 1.00 0.00 C ATOM 337 O LEU A 29 -3.764 7.310 -7.147 1.00 0.00 O ATOM 338 CB LEU A 29 -4.777 10.406 -7.140 1.00 0.00 C ATOM 339 CG LEU A 29 -3.880 11.444 -6.463 1.00 0.00 C ATOM 340 CD1 LEU A 29 -3.812 12.702 -7.329 1.00 0.00 C ATOM 341 CD2 LEU A 29 -4.460 11.799 -5.092 1.00 0.00 C ATOM 0 H LEU A 29 -4.796 10.851 -9.488 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.869 9.577 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.558 10.904 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.276 9.795 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.877 11.034 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.173 13.442 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.401 12.449 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.814 13.113 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.822 12.539 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.462 12.209 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.509 10.902 -4.474 1.00 0.00 H new ATOM 353 N GLU A 30 -5.339 7.631 -8.642 1.00 0.00 N ATOM 354 CA GLU A 30 -5.786 6.210 -8.541 1.00 0.00 C ATOM 355 C GLU A 30 -4.700 5.271 -9.072 1.00 0.00 C ATOM 356 O GLU A 30 -4.247 4.378 -8.382 1.00 0.00 O ATOM 357 CB GLU A 30 -7.040 6.128 -9.413 1.00 0.00 C ATOM 358 CG GLU A 30 -7.871 4.913 -8.998 1.00 0.00 C ATOM 359 CD GLU A 30 -7.704 3.801 -10.037 1.00 0.00 C ATOM 360 OE1 GLU A 30 -6.571 3.494 -10.369 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.711 3.276 -10.480 1.00 0.00 O ATOM 0 H GLU A 30 -5.863 8.206 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.984 5.912 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.630 7.039 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.761 6.049 -10.464 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.553 4.560 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.922 5.190 -8.912 1.00 0.00 H new ATOM 368 N GLY A 31 -4.282 5.460 -10.293 1.00 0.00 N ATOM 369 CA GLY A 31 -3.229 4.575 -10.867 1.00 0.00 C ATOM 370 C GLY A 31 -1.948 4.687 -10.038 1.00 0.00 C ATOM 371 O GLY A 31 -1.109 3.809 -10.054 1.00 0.00 O ATOM 0 H GLY A 31 -4.624 6.189 -10.919 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.576 3.542 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.029 4.856 -11.901 1.00 0.00 H new ATOM 375 N LEU A 32 -1.786 5.763 -9.317 1.00 0.00 N ATOM 376 CA LEU A 32 -0.555 5.928 -8.491 1.00 0.00 C ATOM 377 C LEU A 32 -0.658 5.098 -7.209 1.00 0.00 C ATOM 378 O LEU A 32 0.335 4.716 -6.623 1.00 0.00 O ATOM 379 CB LEU A 32 -0.500 7.419 -8.160 1.00 0.00 C ATOM 380 CG LEU A 32 0.951 7.901 -8.212 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.460 7.835 -9.654 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.026 9.347 -7.713 1.00 0.00 C ATOM 0 H LEU A 32 -2.452 6.534 -9.264 1.00 0.00 H new ATOM 0 HA LEU A 32 0.340 5.591 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.107 7.982 -8.869 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.918 7.598 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 32 1.568 7.264 -7.579 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.494 8.178 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.406 6.807 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.843 8.473 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.060 9.691 -7.750 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.409 9.983 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.663 9.397 -6.686 1.00 0.00 H new ATOM 394 N MET A 33 -1.853 4.818 -6.766 1.00 0.00 N ATOM 395 CA MET A 33 -2.021 4.015 -5.521 1.00 0.00 C ATOM 396 C MET A 33 -1.440 2.610 -5.706 1.00 0.00 C ATOM 397 O MET A 33 -0.764 2.089 -4.841 1.00 0.00 O ATOM 398 CB MET A 33 -3.531 3.943 -5.298 1.00 0.00 C ATOM 399 CG MET A 33 -3.913 4.803 -4.093 1.00 0.00 C ATOM 400 SD MET A 33 -5.586 5.455 -4.322 1.00 0.00 S ATOM 401 CE MET A 33 -6.456 3.869 -4.282 1.00 0.00 C ATOM 0 H MET A 33 -2.722 5.111 -7.213 1.00 0.00 H new ATOM 0 HA MET A 33 -1.501 4.461 -4.673 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.057 4.291 -6.187 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.835 2.910 -5.131 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.864 4.210 -3.180 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.204 5.623 -3.979 1.00 0.00 H new ATOM 0 HE1 MET A 33 -7.329 3.949 -3.634 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.775 3.603 -5.290 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.789 3.098 -3.898 1.00 0.00 H new ATOM 411 N MET A 34 -1.702 1.990 -6.824 1.00 0.00 N ATOM 412 CA MET A 34 -1.170 0.616 -7.059 1.00 0.00 C ATOM 413 C MET A 34 0.295 0.674 -7.501 1.00 0.00 C ATOM 414 O MET A 34 1.072 -0.218 -7.223 1.00 0.00 O ATOM 415 CB MET A 34 -2.043 0.044 -8.177 1.00 0.00 C ATOM 416 CG MET A 34 -1.623 -1.400 -8.465 1.00 0.00 C ATOM 417 SD MET A 34 -2.965 -2.528 -8.010 1.00 0.00 S ATOM 418 CE MET A 34 -3.081 -2.051 -6.268 1.00 0.00 C ATOM 0 H MET A 34 -2.261 2.375 -7.585 1.00 0.00 H new ATOM 0 HA MET A 34 -1.201 0.004 -6.157 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.093 0.077 -7.886 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.942 0.650 -9.078 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.381 -1.515 -9.522 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.722 -1.646 -7.903 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.813 -2.683 -5.766 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.108 -2.174 -5.792 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.391 -1.009 -6.196 1.00 0.00 H new ATOM 428 N GLN A 35 0.677 1.712 -8.191 1.00 0.00 N ATOM 429 CA GLN A 35 2.092 1.823 -8.657 1.00 0.00 C ATOM 430 C GLN A 35 3.065 1.610 -7.490 1.00 0.00 C ATOM 431 O GLN A 35 3.657 0.559 -7.349 1.00 0.00 O ATOM 432 CB GLN A 35 2.214 3.243 -9.213 1.00 0.00 C ATOM 433 CG GLN A 35 3.662 3.510 -9.630 1.00 0.00 C ATOM 434 CD GLN A 35 3.751 3.575 -11.156 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.089 2.601 -11.797 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.461 4.691 -11.767 1.00 0.00 N ATOM 0 H GLN A 35 0.072 2.490 -8.454 1.00 0.00 H new ATOM 0 HA GLN A 35 2.338 1.069 -9.405 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.550 3.367 -10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.903 3.967 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.010 4.447 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.312 2.722 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.177 5.509 -11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.518 4.745 -12.784 1.00 0.00 H new ATOM 445 N HIS A 36 3.239 2.600 -6.658 1.00 0.00 N ATOM 446 CA HIS A 36 4.179 2.455 -5.508 1.00 0.00 C ATOM 447 C HIS A 36 3.811 1.228 -4.664 1.00 0.00 C ATOM 448 O HIS A 36 4.647 0.397 -4.369 1.00 0.00 O ATOM 449 CB HIS A 36 4.014 3.742 -4.703 1.00 0.00 C ATOM 450 CG HIS A 36 4.820 4.838 -5.345 1.00 0.00 C ATOM 451 ND1 HIS A 36 4.417 6.165 -5.319 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.006 4.820 -6.039 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.344 6.883 -5.979 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.335 6.111 -6.438 1.00 0.00 N ATOM 0 H HIS A 36 2.771 3.504 -6.724 1.00 0.00 H new ATOM 0 HA HIS A 36 5.209 2.307 -5.831 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.962 4.026 -4.661 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.344 3.587 -3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.593 3.937 -6.244 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.294 7.952 -6.121 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.156 6.406 -6.967 1.00 0.00 H new ATOM 462 N ALA A 37 2.566 1.104 -4.279 1.00 0.00 N ATOM 463 CA ALA A 37 2.142 -0.074 -3.460 1.00 0.00 C ATOM 464 C ALA A 37 2.667 -1.369 -4.091 1.00 0.00 C ATOM 465 O ALA A 37 3.078 -2.285 -3.405 1.00 0.00 O ATOM 466 CB ALA A 37 0.614 -0.046 -3.492 1.00 0.00 C ATOM 0 H ALA A 37 1.823 1.768 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 37 2.530 -0.034 -2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.223 -0.882 -2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.258 0.891 -3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.270 -0.128 -4.523 1.00 0.00 H new ATOM 472 N GLN A 38 2.668 -1.444 -5.397 1.00 0.00 N ATOM 473 CA GLN A 38 3.180 -2.671 -6.073 1.00 0.00 C ATOM 474 C GLN A 38 4.687 -2.784 -5.846 1.00 0.00 C ATOM 475 O GLN A 38 5.231 -3.864 -5.722 1.00 0.00 O ATOM 476 CB GLN A 38 2.871 -2.472 -7.557 1.00 0.00 C ATOM 477 CG GLN A 38 1.534 -3.134 -7.892 1.00 0.00 C ATOM 478 CD GLN A 38 1.195 -2.886 -9.363 1.00 0.00 C ATOM 479 OE1 GLN A 38 0.898 -3.809 -10.094 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.230 -1.669 -9.832 1.00 0.00 N ATOM 0 H GLN A 38 2.337 -0.710 -6.023 1.00 0.00 H new ATOM 0 HA GLN A 38 2.723 -3.583 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.831 -1.408 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.665 -2.903 -8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.587 -4.205 -7.696 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.747 -2.732 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.479 -0.893 -9.219 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.008 -1.494 -10.812 1.00 0.00 H new ATOM 489 N ASN A 39 5.363 -1.669 -5.772 1.00 0.00 N ATOM 490 CA ASN A 39 6.833 -1.699 -5.530 1.00 0.00 C ATOM 491 C ASN A 39 7.109 -1.609 -4.026 1.00 0.00 C ATOM 492 O ASN A 39 8.197 -1.269 -3.601 1.00 0.00 O ATOM 493 CB ASN A 39 7.380 -0.468 -6.254 1.00 0.00 C ATOM 494 CG ASN A 39 7.218 -0.648 -7.764 1.00 0.00 C ATOM 495 OD1 ASN A 39 6.296 -1.296 -8.215 1.00 0.00 O ATOM 496 ND2 ASN A 39 8.083 -0.095 -8.572 1.00 0.00 N ATOM 0 H ASN A 39 4.959 -0.737 -5.869 1.00 0.00 H new ATOM 0 HA ASN A 39 7.299 -2.617 -5.889 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.850 0.426 -5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.431 -0.324 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.983 -0.208 -9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.858 0.450 -8.194 1.00 0.00 H new ATOM 503 N LEU A 40 6.126 -1.911 -3.218 1.00 0.00 N ATOM 504 CA LEU A 40 6.309 -1.849 -1.741 1.00 0.00 C ATOM 505 C LEU A 40 6.790 -0.463 -1.310 1.00 0.00 C ATOM 506 O LEU A 40 7.376 -0.299 -0.258 1.00 0.00 O ATOM 507 CB LEU A 40 7.357 -2.915 -1.419 1.00 0.00 C ATOM 508 CG LEU A 40 6.686 -4.287 -1.359 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.583 -4.869 -2.769 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.519 -5.223 -0.480 1.00 0.00 C ATOM 0 H LEU A 40 5.197 -2.200 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 40 5.374 -2.028 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.138 -2.913 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.838 -2.692 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 40 5.687 -4.184 -0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.104 -5.847 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.990 -4.203 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.581 -4.972 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.042 -6.202 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.519 -5.325 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.591 -4.809 0.526 1.00 0.00 H new ATOM 522 N GLU A 41 6.529 0.539 -2.100 1.00 0.00 N ATOM 523 CA GLU A 41 6.955 1.913 -1.713 1.00 0.00 C ATOM 524 C GLU A 41 6.129 2.369 -0.511 1.00 0.00 C ATOM 525 O GLU A 41 6.649 2.885 0.459 1.00 0.00 O ATOM 526 CB GLU A 41 6.660 2.783 -2.935 1.00 0.00 C ATOM 527 CG GLU A 41 7.916 2.883 -3.804 1.00 0.00 C ATOM 528 CD GLU A 41 8.994 3.669 -3.054 1.00 0.00 C ATOM 529 OE1 GLU A 41 8.636 4.446 -2.185 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.160 3.477 -3.361 1.00 0.00 O ATOM 0 H GLU A 41 6.041 0.468 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 41 8.007 1.970 -1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.840 2.354 -3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.343 3.777 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.282 1.886 -4.049 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.681 3.377 -4.747 1.00 0.00 H new ATOM 537 N PHE A 42 4.842 2.162 -0.570 1.00 0.00 N ATOM 538 CA PHE A 42 3.954 2.556 0.561 1.00 0.00 C ATOM 539 C PHE A 42 4.244 3.984 1.018 1.00 0.00 C ATOM 540 O PHE A 42 5.035 4.682 0.420 1.00 0.00 O ATOM 541 CB PHE A 42 4.267 1.560 1.680 1.00 0.00 C ATOM 542 CG PHE A 42 3.342 0.369 1.581 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.956 0.561 1.384 1.00 0.00 C ATOM 544 CD2 PHE A 42 3.863 -0.940 1.693 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.093 -0.553 1.298 1.00 0.00 C ATOM 546 CE2 PHE A 42 2.999 -2.054 1.609 1.00 0.00 C ATOM 547 CZ PHE A 42 1.614 -1.860 1.412 1.00 0.00 C ATOM 0 H PHE A 42 4.363 1.732 -1.361 1.00 0.00 H new ATOM 0 HA PHE A 42 2.903 2.535 0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.304 1.233 1.608 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.151 2.042 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.557 1.561 1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.922 -1.088 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.034 -0.405 1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.397 -3.054 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.953 -2.712 1.349 1.00 0.00 H new ATOM 557 N GLU A 43 3.572 4.412 2.061 1.00 0.00 N ATOM 558 CA GLU A 43 3.727 5.797 2.606 1.00 0.00 C ATOM 559 C GLU A 43 3.209 6.794 1.578 1.00 0.00 C ATOM 560 O GLU A 43 2.250 7.502 1.803 1.00 0.00 O ATOM 561 CB GLU A 43 5.223 6.003 2.876 1.00 0.00 C ATOM 562 CG GLU A 43 5.452 7.443 3.337 1.00 0.00 C ATOM 563 CD GLU A 43 6.950 7.750 3.331 1.00 0.00 C ATOM 564 OE1 GLU A 43 7.459 8.099 2.278 1.00 0.00 O ATOM 565 OE2 GLU A 43 7.564 7.630 4.378 1.00 0.00 O ATOM 0 H GLU A 43 2.901 3.838 2.572 1.00 0.00 H new ATOM 0 HA GLU A 43 3.161 5.943 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.568 5.304 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.800 5.800 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.926 8.134 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.045 7.584 4.338 1.00 0.00 H new ATOM 572 N GLU A 44 3.830 6.830 0.448 1.00 0.00 N ATOM 573 CA GLU A 44 3.385 7.750 -0.633 1.00 0.00 C ATOM 574 C GLU A 44 2.222 7.119 -1.407 1.00 0.00 C ATOM 575 O GLU A 44 1.343 7.804 -1.894 1.00 0.00 O ATOM 576 CB GLU A 44 4.610 7.934 -1.535 1.00 0.00 C ATOM 577 CG GLU A 44 4.963 6.607 -2.217 1.00 0.00 C ATOM 578 CD GLU A 44 6.141 6.822 -3.168 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.354 7.954 -3.570 1.00 0.00 O ATOM 580 OE2 GLU A 44 6.810 5.850 -3.479 1.00 0.00 O ATOM 0 H GLU A 44 4.640 6.255 0.216 1.00 0.00 H new ATOM 0 HA GLU A 44 3.028 8.705 -0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.407 8.696 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.457 8.286 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.218 5.857 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.102 6.228 -2.767 1.00 0.00 H new ATOM 587 N ALA A 45 2.220 5.817 -1.535 1.00 0.00 N ATOM 588 CA ALA A 45 1.125 5.139 -2.289 1.00 0.00 C ATOM 589 C ALA A 45 -0.127 4.976 -1.423 1.00 0.00 C ATOM 590 O ALA A 45 -1.234 5.213 -1.865 1.00 0.00 O ATOM 591 CB ALA A 45 1.692 3.769 -2.655 1.00 0.00 C ATOM 0 H ALA A 45 2.930 5.194 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 45 0.823 5.716 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.946 3.204 -3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.585 3.896 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.951 3.227 -1.745 1.00 0.00 H new ATOM 597 N ALA A 46 0.035 4.552 -0.201 1.00 0.00 N ATOM 598 CA ALA A 46 -1.152 4.352 0.680 1.00 0.00 C ATOM 599 C ALA A 46 -1.709 5.694 1.167 1.00 0.00 C ATOM 600 O ALA A 46 -2.846 5.783 1.583 1.00 0.00 O ATOM 601 CB ALA A 46 -0.637 3.515 1.850 1.00 0.00 C ATOM 0 H ALA A 46 0.935 4.335 0.226 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.971 3.860 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.453 3.323 2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.249 2.568 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.158 4.056 2.362 1.00 0.00 H new ATOM 607 N GLN A 47 -0.928 6.738 1.118 1.00 0.00 N ATOM 608 CA GLN A 47 -1.439 8.063 1.581 1.00 0.00 C ATOM 609 C GLN A 47 -2.355 8.678 0.519 1.00 0.00 C ATOM 610 O GLN A 47 -3.149 9.554 0.803 1.00 0.00 O ATOM 611 CB GLN A 47 -0.196 8.929 1.777 1.00 0.00 C ATOM 612 CG GLN A 47 0.341 8.736 3.197 1.00 0.00 C ATOM 613 CD GLN A 47 -0.449 9.618 4.166 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.477 10.160 3.812 1.00 0.00 O ATOM 615 NE2 GLN A 47 -0.008 9.788 5.382 1.00 0.00 N ATOM 0 H GLN A 47 0.035 6.734 0.781 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.023 7.978 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.568 8.658 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.440 9.978 1.608 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.257 7.689 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.400 8.993 3.235 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.855 9.333 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.526 10.376 6.035 1.00 0.00 H new ATOM 624 N ILE A 48 -2.250 8.232 -0.703 1.00 0.00 N ATOM 625 CA ILE A 48 -3.111 8.796 -1.781 1.00 0.00 C ATOM 626 C ILE A 48 -4.565 8.354 -1.590 1.00 0.00 C ATOM 627 O ILE A 48 -5.486 9.047 -1.973 1.00 0.00 O ATOM 628 CB ILE A 48 -2.541 8.227 -3.079 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.119 8.754 -3.283 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.415 8.659 -4.258 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.386 7.874 -4.297 1.00 0.00 C ATOM 0 H ILE A 48 -1.605 7.501 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.113 9.886 -1.779 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.525 7.139 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.150 9.785 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.582 8.758 -2.334 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.006 8.252 -5.183 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.429 8.286 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.433 9.747 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.627 8.251 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.343 6.850 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.919 7.893 -5.248 1.00 0.00 H new ATOM 643 N ARG A 49 -4.782 7.210 -1.000 1.00 0.00 N ATOM 644 CA ARG A 49 -6.182 6.738 -0.790 1.00 0.00 C ATOM 645 C ARG A 49 -6.995 7.819 -0.071 1.00 0.00 C ATOM 646 O ARG A 49 -8.198 7.908 -0.216 1.00 0.00 O ATOM 647 CB ARG A 49 -6.060 5.480 0.074 1.00 0.00 C ATOM 648 CG ARG A 49 -5.509 5.848 1.455 1.00 0.00 C ATOM 649 CD ARG A 49 -6.671 6.080 2.423 1.00 0.00 C ATOM 650 NE ARG A 49 -6.160 7.075 3.406 1.00 0.00 N ATOM 651 CZ ARG A 49 -6.766 7.231 4.552 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.050 7.020 4.644 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.087 7.599 5.603 1.00 0.00 N ATOM 0 H ARG A 49 -4.054 6.584 -0.655 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.694 6.527 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.035 5.003 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.401 4.758 -0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.866 5.050 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.895 6.746 1.386 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.551 6.457 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.965 5.153 2.916 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.337 7.635 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.580 6.733 3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.524 7.142 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.083 7.765 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.560 7.721 6.499 1.00 0.00 H new ATOM 667 N ASP A 50 -6.341 8.644 0.701 1.00 0.00 N ATOM 668 CA ASP A 50 -7.068 9.725 1.426 1.00 0.00 C ATOM 669 C ASP A 50 -7.395 10.869 0.463 1.00 0.00 C ATOM 670 O ASP A 50 -8.460 11.450 0.513 1.00 0.00 O ATOM 671 CB ASP A 50 -6.101 10.195 2.512 1.00 0.00 C ATOM 672 CG ASP A 50 -6.850 10.326 3.840 1.00 0.00 C ATOM 673 OD1 ASP A 50 -8.039 10.593 3.803 1.00 0.00 O ATOM 674 OD2 ASP A 50 -6.221 10.158 4.871 1.00 0.00 O ATOM 0 H ASP A 50 -5.334 8.616 0.861 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.013 9.381 1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.279 9.486 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.662 11.153 2.234 1.00 0.00 H new ATOM 679 N GLN A 51 -6.485 11.193 -0.415 1.00 0.00 N ATOM 680 CA GLN A 51 -6.746 12.296 -1.383 1.00 0.00 C ATOM 681 C GLN A 51 -7.739 11.830 -2.452 1.00 0.00 C ATOM 682 O GLN A 51 -8.647 12.545 -2.823 1.00 0.00 O ATOM 683 CB GLN A 51 -5.386 12.604 -2.011 1.00 0.00 C ATOM 684 CG GLN A 51 -4.385 12.963 -0.911 1.00 0.00 C ATOM 685 CD GLN A 51 -2.963 12.883 -1.468 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.038 12.545 -0.757 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.748 13.184 -2.721 1.00 0.00 N ATOM 0 H GLN A 51 -5.574 10.743 -0.504 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.180 13.174 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.030 11.741 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.478 13.429 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.584 13.967 -0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.495 12.281 -0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.525 13.468 -3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.803 13.135 -3.102 1.00 0.00 H new ATOM 696 N LEU A 52 -7.572 10.634 -2.945 1.00 0.00 N ATOM 697 CA LEU A 52 -8.506 10.119 -3.986 1.00 0.00 C ATOM 698 C LEU A 52 -9.917 9.982 -3.406 1.00 0.00 C ATOM 699 O LEU A 52 -10.900 10.247 -4.068 1.00 0.00 O ATOM 700 CB LEU A 52 -7.950 8.748 -4.375 1.00 0.00 C ATOM 701 CG LEU A 52 -8.395 8.396 -5.795 1.00 0.00 C ATOM 702 CD1 LEU A 52 -9.923 8.385 -5.865 1.00 0.00 C ATOM 703 CD2 LEU A 52 -7.848 9.437 -6.773 1.00 0.00 C ATOM 0 H LEU A 52 -6.829 9.991 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.578 10.787 -4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.862 8.756 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.302 7.990 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.013 7.410 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.239 8.134 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.314 7.643 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.307 9.370 -5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.165 9.187 -7.786 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.230 10.423 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.759 9.445 -6.725 1.00 0.00 H new ATOM 715 N HIS A 53 -10.022 9.569 -2.172 1.00 0.00 N ATOM 716 CA HIS A 53 -11.367 9.416 -1.549 1.00 0.00 C ATOM 717 C HIS A 53 -11.957 10.791 -1.224 1.00 0.00 C ATOM 718 O HIS A 53 -13.150 11.001 -1.307 1.00 0.00 O ATOM 719 CB HIS A 53 -11.122 8.621 -0.266 1.00 0.00 C ATOM 720 CG HIS A 53 -11.178 7.149 -0.570 1.00 0.00 C ATOM 721 ND1 HIS A 53 -10.676 6.618 -1.748 1.00 0.00 N ATOM 722 CD2 HIS A 53 -11.674 6.084 0.139 1.00 0.00 C ATOM 723 CE1 HIS A 53 -10.878 5.288 -1.712 1.00 0.00 C ATOM 724 NE2 HIS A 53 -11.484 4.910 -0.583 1.00 0.00 N ATOM 0 H HIS A 53 -9.235 9.331 -1.569 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.074 8.914 -2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.150 8.880 0.155 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -11.872 8.877 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.141 6.148 1.111 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -10.586 4.609 -2.500 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -11.750 3.964 -0.309 1.00 0.00 H new ATOM 732 N GLN A 54 -11.130 11.728 -0.852 1.00 0.00 N ATOM 733 CA GLN A 54 -11.644 13.090 -0.522 1.00 0.00 C ATOM 734 C GLN A 54 -11.882 13.890 -1.805 1.00 0.00 C ATOM 735 O GLN A 54 -12.755 14.733 -1.870 1.00 0.00 O ATOM 736 CB GLN A 54 -10.537 13.735 0.312 1.00 0.00 C ATOM 737 CG GLN A 54 -11.137 14.828 1.199 1.00 0.00 C ATOM 738 CD GLN A 54 -10.255 15.025 2.434 1.00 0.00 C ATOM 739 OE1 GLN A 54 -10.511 14.454 3.475 1.00 0.00 O ATOM 740 NE2 GLN A 54 -9.218 15.815 2.361 1.00 0.00 N ATOM 0 H GLN A 54 -10.121 11.611 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.593 13.057 0.012 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.045 12.982 0.927 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.775 14.160 -0.342 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.214 15.762 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.147 14.552 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.003 16.295 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.623 15.952 3.178 1.00 0.00 H new ATOM 749 N LEU A 55 -11.106 13.638 -2.823 1.00 0.00 N ATOM 750 CA LEU A 55 -11.277 14.388 -4.102 1.00 0.00 C ATOM 751 C LEU A 55 -12.695 14.209 -4.650 1.00 0.00 C ATOM 752 O LEU A 55 -13.235 15.086 -5.295 1.00 0.00 O ATOM 753 CB LEU A 55 -10.252 13.778 -5.058 1.00 0.00 C ATOM 754 CG LEU A 55 -9.009 14.667 -5.109 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.758 13.792 -5.217 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.092 15.588 -6.327 1.00 0.00 C ATOM 0 H LEU A 55 -10.359 12.944 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.128 15.460 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.982 12.775 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.682 13.679 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.955 15.267 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.872 14.426 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.698 13.134 -4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.811 13.191 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.206 16.222 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.146 14.987 -7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.982 16.212 -6.251 1.00 0.00 H new ATOM 768 N ARG A 56 -13.302 13.082 -4.406 1.00 0.00 N ATOM 769 CA ARG A 56 -14.682 12.858 -4.923 1.00 0.00 C ATOM 770 C ARG A 56 -15.632 13.935 -4.388 1.00 0.00 C ATOM 771 O ARG A 56 -16.669 14.202 -4.963 1.00 0.00 O ATOM 772 CB ARG A 56 -15.075 11.469 -4.411 1.00 0.00 C ATOM 773 CG ARG A 56 -15.241 11.496 -2.888 1.00 0.00 C ATOM 774 CD ARG A 56 -16.707 11.758 -2.539 1.00 0.00 C ATOM 775 NE ARG A 56 -17.067 10.688 -1.568 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.564 9.559 -1.995 1.00 0.00 C ATOM 777 NH1 ARG A 56 -16.999 8.931 -2.990 1.00 0.00 N ATOM 778 NH2 ARG A 56 -18.626 9.058 -1.426 1.00 0.00 N ATOM 0 H ARG A 56 -12.905 12.308 -3.873 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.734 12.915 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -16.006 11.150 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.312 10.741 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.918 10.547 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.609 12.272 -2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.838 12.748 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.338 11.715 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.925 10.837 -0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.169 9.322 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.388 8.049 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.067 9.549 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -19.015 8.176 -1.759 1.00 0.00 H new ATOM 792 N GLU A 57 -15.285 14.556 -3.294 1.00 0.00 N ATOM 793 CA GLU A 57 -16.167 15.615 -2.725 1.00 0.00 C ATOM 794 C GLU A 57 -16.001 16.914 -3.516 1.00 0.00 C ATOM 795 O GLU A 57 -16.950 17.635 -3.755 1.00 0.00 O ATOM 796 CB GLU A 57 -15.690 15.801 -1.283 1.00 0.00 C ATOM 797 CG GLU A 57 -15.704 14.453 -0.559 1.00 0.00 C ATOM 798 CD GLU A 57 -15.135 14.624 0.850 1.00 0.00 C ATOM 799 OE1 GLU A 57 -14.306 15.500 1.031 1.00 0.00 O ATOM 800 OE2 GLU A 57 -15.539 13.875 1.725 1.00 0.00 O ATOM 0 H GLU A 57 -14.429 14.376 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.222 15.344 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.684 16.220 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.335 16.510 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.722 14.067 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -15.114 13.724 -1.115 1.00 0.00 H new ATOM 807 N LEU A 58 -14.800 17.218 -3.924 1.00 0.00 N ATOM 808 CA LEU A 58 -14.568 18.470 -4.701 1.00 0.00 C ATOM 809 C LEU A 58 -15.444 18.486 -5.958 1.00 0.00 C ATOM 810 O LEU A 58 -15.692 19.523 -6.539 1.00 0.00 O ATOM 811 CB LEU A 58 -13.087 18.432 -5.080 1.00 0.00 C ATOM 812 CG LEU A 58 -12.314 19.428 -4.216 1.00 0.00 C ATOM 813 CD1 LEU A 58 -10.822 19.092 -4.260 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.532 20.844 -4.753 1.00 0.00 C ATOM 0 H LEU A 58 -13.968 16.653 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.820 19.363 -4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.690 17.427 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.964 18.677 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.670 19.369 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.271 19.802 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.665 18.083 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.466 19.151 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.981 21.555 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.176 20.902 -5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.595 21.085 -4.723 1.00 0.00 H new ATOM 826 N PHE A 59 -15.915 17.343 -6.383 1.00 0.00 N ATOM 827 CA PHE A 59 -16.773 17.293 -7.604 1.00 0.00 C ATOM 828 C PHE A 59 -17.900 18.327 -7.508 1.00 0.00 C ATOM 829 O PHE A 59 -18.179 19.043 -8.449 1.00 0.00 O ATOM 830 CB PHE A 59 -17.347 15.875 -7.624 1.00 0.00 C ATOM 831 CG PHE A 59 -18.300 15.732 -8.787 1.00 0.00 C ATOM 832 CD1 PHE A 59 -17.840 15.936 -10.107 1.00 0.00 C ATOM 833 CD2 PHE A 59 -19.652 15.394 -8.553 1.00 0.00 C ATOM 834 CE1 PHE A 59 -18.732 15.802 -11.194 1.00 0.00 C ATOM 835 CE2 PHE A 59 -20.544 15.260 -9.641 1.00 0.00 C ATOM 836 CZ PHE A 59 -20.084 15.464 -10.960 1.00 0.00 C ATOM 0 H PHE A 59 -15.743 16.442 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.213 17.522 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.541 15.146 -7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.866 15.668 -6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -16.807 16.194 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -20.003 15.238 -7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -18.381 15.958 -12.203 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -21.577 15.002 -9.463 1.00 0.00 H new ATOM 0 HZ PHE A 59 -20.766 15.362 -11.791 1.00 0.00 H new ATOM 846 N ILE A 60 -18.549 18.410 -6.379 1.00 0.00 N ATOM 847 CA ILE A 60 -19.654 19.398 -6.227 1.00 0.00 C ATOM 848 C ILE A 60 -19.084 20.812 -6.092 1.00 0.00 C ATOM 849 O ILE A 60 -19.662 21.773 -6.558 1.00 0.00 O ATOM 850 CB ILE A 60 -20.380 18.987 -4.946 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.915 17.561 -5.100 1.00 0.00 C ATOM 852 CG2 ILE A 60 -21.546 19.942 -4.690 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.594 16.756 -3.839 1.00 0.00 C ATOM 0 H ILE A 60 -18.362 17.837 -5.556 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.322 19.406 -7.088 1.00 0.00 H new ATOM 0 HB ILE A 60 -19.686 19.028 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.992 17.581 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.466 17.085 -5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -22.063 19.648 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -21.167 20.958 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.241 19.901 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.975 15.741 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.514 16.725 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.064 17.229 -2.976 1.00 0.00 H new ATOM 865 N ALA A 61 -17.950 20.946 -5.458 1.00 0.00 N ATOM 866 CA ALA A 61 -17.344 22.298 -5.295 1.00 0.00 C ATOM 867 C ALA A 61 -16.803 22.799 -6.637 1.00 0.00 C ATOM 868 O ALA A 61 -16.630 23.984 -6.844 1.00 0.00 O ATOM 869 CB ALA A 61 -16.203 22.102 -4.296 1.00 0.00 C ATOM 0 H ALA A 61 -17.418 20.179 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.067 23.037 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.704 23.055 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.604 21.725 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.486 21.386 -4.698 1.00 0.00 H new ATOM 875 N ALA A 62 -16.534 21.906 -7.550 1.00 0.00 N ATOM 876 CA ALA A 62 -16.005 22.332 -8.878 1.00 0.00 C ATOM 877 C ALA A 62 -17.140 22.397 -9.904 1.00 0.00 C ATOM 878 O ALA A 62 -17.437 23.441 -10.449 1.00 0.00 O ATOM 879 CB ALA A 62 -14.993 21.253 -9.265 1.00 0.00 C ATOM 0 H ALA A 62 -16.657 20.900 -7.434 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.552 23.323 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.557 21.494 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.205 21.207 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.495 20.287 -9.323 1.00 0.00 H new ATOM 885 N SER A 63 -17.776 21.289 -10.169 1.00 0.00 N ATOM 886 CA SER A 63 -18.891 21.289 -11.159 1.00 0.00 C ATOM 887 C SER A 63 -20.237 21.162 -10.440 1.00 0.00 C ATOM 888 O SER A 63 -20.260 21.339 -9.233 1.00 0.00 O ATOM 889 CB SER A 63 -18.638 20.066 -12.040 1.00 0.00 C ATOM 890 OG SER A 63 -18.860 18.886 -11.281 1.00 0.00 O ATOM 891 OXT SER A 63 -21.221 20.891 -11.108 1.00 0.00 O ATOM 0 H SER A 63 -17.572 20.385 -9.744 1.00 0.00 H new ATOM 0 HA SER A 63 -18.927 22.210 -11.740 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.299 20.085 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.616 20.082 -12.419 1.00 0.00 H new ATOM 0 HG SER A 63 -18.635 18.101 -11.823 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 29.863 -33.664 15.107 1.00 0.00 N ATOM 899 CA LEU B 8 28.930 -32.623 14.587 1.00 0.00 C ATOM 900 C LEU B 8 27.520 -33.202 14.444 1.00 0.00 C ATOM 901 O LEU B 8 27.337 -34.309 13.979 1.00 0.00 O ATOM 902 CB LEU B 8 29.493 -32.233 13.220 1.00 0.00 C ATOM 903 CG LEU B 8 30.268 -30.921 13.342 1.00 0.00 C ATOM 904 CD1 LEU B 8 31.744 -31.168 13.022 1.00 0.00 C ATOM 905 CD2 LEU B 8 29.698 -29.899 12.356 1.00 0.00 C ATOM 0 HA LEU B 8 28.854 -31.765 15.255 1.00 0.00 H new ATOM 0 HB2 LEU B 8 30.147 -33.021 12.846 1.00 0.00 H new ATOM 0 HB3 LEU B 8 28.683 -32.123 12.499 1.00 0.00 H new ATOM 0 HG LEU B 8 30.175 -30.538 14.358 1.00 0.00 H new ATOM 0 HD11 LEU B 8 32.297 -30.233 13.109 1.00 0.00 H new ATOM 0 HD12 LEU B 8 32.151 -31.897 13.723 1.00 0.00 H new ATOM 0 HD13 LEU B 8 31.837 -31.551 12.006 1.00 0.00 H new ATOM 0 HD21 LEU B 8 30.250 -28.963 12.442 1.00 0.00 H new ATOM 0 HD22 LEU B 8 29.791 -30.283 11.340 1.00 0.00 H new ATOM 0 HD23 LEU B 8 28.647 -29.722 12.582 1.00 0.00 H new ATOM 917 N GLU B 9 26.521 -32.460 14.839 1.00 0.00 N ATOM 918 CA GLU B 9 25.124 -32.969 14.724 1.00 0.00 C ATOM 919 C GLU B 9 24.130 -31.800 14.753 1.00 0.00 C ATOM 920 O GLU B 9 23.225 -31.782 15.563 1.00 0.00 O ATOM 921 CB GLU B 9 24.929 -33.869 15.945 1.00 0.00 C ATOM 922 CG GLU B 9 25.215 -33.072 17.219 1.00 0.00 C ATOM 923 CD GLU B 9 24.310 -33.569 18.347 1.00 0.00 C ATOM 924 OE1 GLU B 9 24.602 -34.619 18.895 1.00 0.00 O ATOM 925 OE2 GLU B 9 23.338 -32.892 18.643 1.00 0.00 O ATOM 0 H GLU B 9 26.611 -31.525 15.236 1.00 0.00 H new ATOM 0 HA GLU B 9 24.955 -33.506 13.791 1.00 0.00 H new ATOM 0 HB2 GLU B 9 23.910 -34.255 15.966 1.00 0.00 H new ATOM 0 HB3 GLU B 9 25.595 -34.730 15.885 1.00 0.00 H new ATOM 0 HG2 GLU B 9 26.262 -33.183 17.503 1.00 0.00 H new ATOM 0 HG3 GLU B 9 25.044 -32.010 17.042 1.00 0.00 H new ATOM 932 N PRO B 10 24.332 -30.856 13.866 1.00 0.00 N ATOM 933 CA PRO B 10 23.434 -29.676 13.800 1.00 0.00 C ATOM 934 C PRO B 10 22.078 -30.069 13.205 1.00 0.00 C ATOM 935 O PRO B 10 21.039 -29.737 13.738 1.00 0.00 O ATOM 936 CB PRO B 10 24.173 -28.714 12.874 1.00 0.00 C ATOM 937 CG PRO B 10 25.050 -29.582 12.030 1.00 0.00 C ATOM 938 CD PRO B 10 25.396 -30.796 12.853 1.00 0.00 C ATOM 0 HA PRO B 10 23.224 -29.243 14.778 1.00 0.00 H new ATOM 0 HB2 PRO B 10 23.476 -28.143 12.261 1.00 0.00 H new ATOM 0 HB3 PRO B 10 24.761 -27.993 13.442 1.00 0.00 H new ATOM 0 HG2 PRO B 10 24.537 -29.872 11.113 1.00 0.00 H new ATOM 0 HG3 PRO B 10 25.952 -29.047 11.735 1.00 0.00 H new ATOM 0 HD2 PRO B 10 25.417 -31.699 12.243 1.00 0.00 H new ATOM 0 HD3 PRO B 10 26.380 -30.699 13.313 1.00 0.00 H new ATOM 946 N ASP B 11 22.085 -30.778 12.105 1.00 0.00 N ATOM 947 CA ASP B 11 20.802 -31.202 11.462 1.00 0.00 C ATOM 948 C ASP B 11 19.970 -29.978 11.069 1.00 0.00 C ATOM 949 O ASP B 11 19.971 -29.556 9.929 1.00 0.00 O ATOM 950 CB ASP B 11 20.069 -32.039 12.516 1.00 0.00 C ATOM 951 CG ASP B 11 20.030 -33.502 12.069 1.00 0.00 C ATOM 952 OD1 ASP B 11 21.003 -33.947 11.482 1.00 0.00 O ATOM 953 OD2 ASP B 11 19.028 -34.151 12.322 1.00 0.00 O ATOM 0 H ASP B 11 22.929 -31.084 11.621 1.00 0.00 H new ATOM 0 HA ASP B 11 20.976 -31.771 10.549 1.00 0.00 H new ATOM 0 HB2 ASP B 11 20.574 -31.955 13.478 1.00 0.00 H new ATOM 0 HB3 ASP B 11 19.055 -31.663 12.654 1.00 0.00 H new ATOM 958 N ASN B 12 19.261 -29.406 12.001 1.00 0.00 N ATOM 959 CA ASN B 12 18.428 -28.209 11.678 1.00 0.00 C ATOM 960 C ASN B 12 18.171 -27.388 12.944 1.00 0.00 C ATOM 961 O ASN B 12 17.214 -26.645 13.032 1.00 0.00 O ATOM 962 CB ASN B 12 17.118 -28.778 11.131 1.00 0.00 C ATOM 963 CG ASN B 12 16.431 -27.730 10.254 1.00 0.00 C ATOM 964 OD1 ASN B 12 16.189 -27.962 9.086 1.00 0.00 O ATOM 965 ND2 ASN B 12 16.104 -26.578 10.771 1.00 0.00 N ATOM 0 H ASN B 12 19.221 -29.713 12.973 1.00 0.00 H new ATOM 0 HA ASN B 12 18.914 -27.545 10.963 1.00 0.00 H new ATOM 0 HB2 ASN B 12 17.315 -29.680 10.551 1.00 0.00 H new ATOM 0 HB3 ASN B 12 16.463 -29.065 11.953 1.00 0.00 H new ATOM 0 HD21 ASN B 12 15.645 -25.872 10.195 1.00 0.00 H new ATOM 0 HD22 ASN B 12 16.307 -26.383 11.751 1.00 0.00 H new ATOM 972 N VAL B 13 19.015 -27.520 13.930 1.00 0.00 N ATOM 973 CA VAL B 13 18.814 -26.750 15.190 1.00 0.00 C ATOM 974 C VAL B 13 19.379 -25.322 15.042 1.00 0.00 C ATOM 975 O VAL B 13 18.648 -24.361 15.181 1.00 0.00 O ATOM 976 CB VAL B 13 19.550 -27.577 16.265 1.00 0.00 C ATOM 977 CG1 VAL B 13 20.029 -26.687 17.421 1.00 0.00 C ATOM 978 CG2 VAL B 13 18.590 -28.632 16.819 1.00 0.00 C ATOM 0 H VAL B 13 19.834 -28.127 13.918 1.00 0.00 H new ATOM 0 HA VAL B 13 17.765 -26.614 15.453 1.00 0.00 H new ATOM 0 HB VAL B 13 20.421 -28.045 15.806 1.00 0.00 H new ATOM 0 HG11 VAL B 13 20.544 -27.299 18.162 1.00 0.00 H new ATOM 0 HG12 VAL B 13 20.713 -25.929 17.038 1.00 0.00 H new ATOM 0 HG13 VAL B 13 19.171 -26.200 17.885 1.00 0.00 H new ATOM 0 HG21 VAL B 13 19.099 -29.223 17.580 1.00 0.00 H new ATOM 0 HG22 VAL B 13 17.724 -28.139 17.261 1.00 0.00 H new ATOM 0 HG23 VAL B 13 18.262 -29.286 16.011 1.00 0.00 H new ATOM 988 N PRO B 14 20.659 -25.219 14.769 1.00 0.00 N ATOM 989 CA PRO B 14 21.287 -23.884 14.613 1.00 0.00 C ATOM 990 C PRO B 14 20.894 -23.264 13.271 1.00 0.00 C ATOM 991 O PRO B 14 20.429 -22.144 13.203 1.00 0.00 O ATOM 992 CB PRO B 14 22.781 -24.183 14.647 1.00 0.00 C ATOM 993 CG PRO B 14 22.904 -25.604 14.200 1.00 0.00 C ATOM 994 CD PRO B 14 21.628 -26.307 14.582 1.00 0.00 C ATOM 0 HA PRO B 14 20.979 -23.176 15.382 1.00 0.00 H new ATOM 0 HB2 PRO B 14 23.332 -23.513 13.987 1.00 0.00 H new ATOM 0 HB3 PRO B 14 23.187 -24.048 15.649 1.00 0.00 H new ATOM 0 HG2 PRO B 14 23.063 -25.655 13.123 1.00 0.00 H new ATOM 0 HG3 PRO B 14 23.762 -26.082 14.672 1.00 0.00 H new ATOM 0 HD2 PRO B 14 21.305 -26.998 13.803 1.00 0.00 H new ATOM 0 HD3 PRO B 14 21.753 -26.891 15.494 1.00 0.00 H new ATOM 1002 N MET B 15 21.082 -23.985 12.201 1.00 0.00 N ATOM 1003 CA MET B 15 20.727 -23.441 10.860 1.00 0.00 C ATOM 1004 C MET B 15 21.410 -22.087 10.644 1.00 0.00 C ATOM 1005 O MET B 15 22.349 -21.741 11.332 1.00 0.00 O ATOM 1006 CB MET B 15 19.206 -23.280 10.884 1.00 0.00 C ATOM 1007 CG MET B 15 18.632 -23.643 9.514 1.00 0.00 C ATOM 1008 SD MET B 15 18.455 -25.440 9.388 1.00 0.00 S ATOM 1009 CE MET B 15 18.120 -25.510 7.612 1.00 0.00 C ATOM 0 H MET B 15 21.467 -24.930 12.197 1.00 0.00 H new ATOM 0 HA MET B 15 21.051 -24.094 10.050 1.00 0.00 H new ATOM 0 HB2 MET B 15 18.774 -23.921 11.652 1.00 0.00 H new ATOM 0 HB3 MET B 15 18.942 -22.254 11.140 1.00 0.00 H new ATOM 0 HG2 MET B 15 17.664 -23.161 9.375 1.00 0.00 H new ATOM 0 HG3 MET B 15 19.288 -23.276 8.725 1.00 0.00 H new ATOM 0 HE1 MET B 15 17.166 -26.009 7.441 1.00 0.00 H new ATOM 0 HE2 MET B 15 18.077 -24.498 7.210 1.00 0.00 H new ATOM 0 HE3 MET B 15 18.914 -26.065 7.113 1.00 0.00 H new ATOM 1019 N ASP B 16 20.946 -21.318 9.696 1.00 0.00 N ATOM 1020 CA ASP B 16 21.575 -19.988 9.445 1.00 0.00 C ATOM 1021 C ASP B 16 20.667 -19.127 8.565 1.00 0.00 C ATOM 1022 O ASP B 16 20.958 -18.877 7.413 1.00 0.00 O ATOM 1023 CB ASP B 16 22.886 -20.299 8.722 1.00 0.00 C ATOM 1024 CG ASP B 16 24.023 -20.389 9.741 1.00 0.00 C ATOM 1025 OD1 ASP B 16 24.315 -19.382 10.365 1.00 0.00 O ATOM 1026 OD2 ASP B 16 24.584 -21.464 9.880 1.00 0.00 O ATOM 0 H ASP B 16 20.162 -21.551 9.087 1.00 0.00 H new ATOM 0 HA ASP B 16 21.740 -19.431 10.367 1.00 0.00 H new ATOM 0 HB2 ASP B 16 22.798 -21.238 8.176 1.00 0.00 H new ATOM 0 HB3 ASP B 16 23.102 -19.522 7.988 1.00 0.00 H new ATOM 1031 N MET B 17 19.567 -18.670 9.101 1.00 0.00 N ATOM 1032 CA MET B 17 18.634 -17.822 8.299 1.00 0.00 C ATOM 1033 C MET B 17 17.441 -17.394 9.160 1.00 0.00 C ATOM 1034 O MET B 17 17.021 -16.254 9.134 1.00 0.00 O ATOM 1035 CB MET B 17 18.165 -18.709 7.138 1.00 0.00 C ATOM 1036 CG MET B 17 17.653 -20.048 7.677 1.00 0.00 C ATOM 1037 SD MET B 17 17.407 -21.198 6.301 1.00 0.00 S ATOM 1038 CE MET B 17 15.997 -22.091 7.001 1.00 0.00 C ATOM 0 H MET B 17 19.273 -18.847 10.061 1.00 0.00 H new ATOM 0 HA MET B 17 19.117 -16.913 7.940 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.375 -18.206 6.581 1.00 0.00 H new ATOM 0 HB3 MET B 17 18.987 -18.878 6.443 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.367 -20.463 8.388 1.00 0.00 H new ATOM 0 HG3 MET B 17 16.716 -19.902 8.214 1.00 0.00 H new ATOM 0 HE1 MET B 17 15.330 -22.405 6.198 1.00 0.00 H new ATOM 0 HE2 MET B 17 16.354 -22.968 7.541 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.457 -21.438 7.687 1.00 0.00 H new ATOM 1048 N SER B 18 16.895 -18.302 9.924 1.00 0.00 N ATOM 1049 CA SER B 18 15.730 -17.957 10.792 1.00 0.00 C ATOM 1050 C SER B 18 15.323 -19.182 11.620 1.00 0.00 C ATOM 1051 O SER B 18 15.219 -20.270 11.091 1.00 0.00 O ATOM 1052 CB SER B 18 14.612 -17.570 9.825 1.00 0.00 C ATOM 1053 OG SER B 18 14.684 -18.396 8.670 1.00 0.00 O ATOM 0 H SER B 18 17.206 -19.271 9.985 1.00 0.00 H new ATOM 0 HA SER B 18 15.955 -17.152 11.491 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.642 -17.684 10.308 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.706 -16.521 9.543 1.00 0.00 H new ATOM 0 HG SER B 18 14.345 -17.903 7.894 1.00 0.00 H new ATOM 1059 N PRO B 19 15.111 -18.978 12.898 1.00 0.00 N ATOM 1060 CA PRO B 19 14.722 -20.100 13.780 1.00 0.00 C ATOM 1061 C PRO B 19 13.229 -20.430 13.636 1.00 0.00 C ATOM 1062 O PRO B 19 12.506 -20.492 14.609 1.00 0.00 O ATOM 1063 CB PRO B 19 15.036 -19.582 15.180 1.00 0.00 C ATOM 1064 CG PRO B 19 14.978 -18.088 15.078 1.00 0.00 C ATOM 1065 CD PRO B 19 15.213 -17.710 13.634 1.00 0.00 C ATOM 0 HA PRO B 19 15.249 -21.024 13.542 1.00 0.00 H new ATOM 0 HB2 PRO B 19 14.314 -19.954 15.907 1.00 0.00 H new ATOM 0 HB3 PRO B 19 16.020 -19.915 15.510 1.00 0.00 H new ATOM 0 HG2 PRO B 19 14.009 -17.720 15.416 1.00 0.00 H new ATOM 0 HG3 PRO B 19 15.733 -17.633 15.719 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.472 -16.990 13.287 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.192 -17.251 13.499 1.00 0.00 H new ATOM 1073 N LYS B 20 12.772 -20.663 12.428 1.00 0.00 N ATOM 1074 CA LYS B 20 11.331 -21.012 12.199 1.00 0.00 C ATOM 1075 C LYS B 20 10.401 -19.854 12.586 1.00 0.00 C ATOM 1076 O LYS B 20 9.746 -19.271 11.746 1.00 0.00 O ATOM 1077 CB LYS B 20 11.059 -22.236 13.079 1.00 0.00 C ATOM 1078 CG LYS B 20 9.783 -22.935 12.603 1.00 0.00 C ATOM 1079 CD LYS B 20 8.578 -22.358 13.348 1.00 0.00 C ATOM 1080 CE LYS B 20 7.539 -23.459 13.569 1.00 0.00 C ATOM 1081 NZ LYS B 20 6.247 -22.860 13.131 1.00 0.00 N ATOM 0 H LYS B 20 13.341 -20.626 11.582 1.00 0.00 H new ATOM 0 HA LYS B 20 11.140 -21.214 11.145 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.902 -22.925 13.033 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.953 -21.932 14.120 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.660 -22.798 11.529 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.855 -24.008 12.781 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.893 -21.944 14.306 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.141 -21.540 12.775 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.778 -24.350 12.989 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.500 -23.761 14.616 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.483 -23.555 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 6.043 -22.017 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 6.312 -22.588 12.129 1.00 0.00 H new ATOM 1095 N ALA B 21 10.326 -19.529 13.851 1.00 0.00 N ATOM 1096 CA ALA B 21 9.426 -18.420 14.300 1.00 0.00 C ATOM 1097 C ALA B 21 9.561 -17.193 13.390 1.00 0.00 C ATOM 1098 O ALA B 21 8.582 -16.597 12.990 1.00 0.00 O ATOM 1099 CB ALA B 21 9.894 -18.085 15.717 1.00 0.00 C ATOM 0 H ALA B 21 10.851 -19.985 14.597 1.00 0.00 H new ATOM 0 HA ALA B 21 8.377 -18.713 14.265 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.283 -17.278 16.121 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.795 -18.966 16.351 1.00 0.00 H new ATOM 0 HB3 ALA B 21 10.938 -17.772 15.691 1.00 0.00 H new ATOM 1105 N LEU B 22 10.764 -16.815 13.059 1.00 0.00 N ATOM 1106 CA LEU B 22 10.957 -15.630 12.174 1.00 0.00 C ATOM 1107 C LEU B 22 10.740 -16.030 10.716 1.00 0.00 C ATOM 1108 O LEU B 22 10.108 -15.328 9.952 1.00 0.00 O ATOM 1109 CB LEU B 22 12.407 -15.197 12.394 1.00 0.00 C ATOM 1110 CG LEU B 22 12.537 -14.521 13.759 1.00 0.00 C ATOM 1111 CD1 LEU B 22 12.478 -15.584 14.854 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.877 -13.787 13.838 1.00 0.00 C ATOM 0 H LEU B 22 11.623 -17.275 13.362 1.00 0.00 H new ATOM 0 HA LEU B 22 10.255 -14.828 12.400 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.068 -16.062 12.341 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.716 -14.511 11.606 1.00 0.00 H new ATOM 0 HG LEU B 22 11.723 -13.809 13.893 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.570 -15.107 15.830 1.00 0.00 H new ATOM 0 HD12 LEU B 22 11.526 -16.113 14.797 1.00 0.00 H new ATOM 0 HD13 LEU B 22 13.295 -16.292 14.718 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.971 -13.305 14.811 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.691 -14.500 13.707 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.925 -13.033 13.053 1.00 0.00 H new ATOM 1124 N GLN B 23 11.270 -17.154 10.327 1.00 0.00 N ATOM 1125 CA GLN B 23 11.108 -17.613 8.916 1.00 0.00 C ATOM 1126 C GLN B 23 9.635 -17.567 8.498 1.00 0.00 C ATOM 1127 O GLN B 23 9.303 -17.155 7.405 1.00 0.00 O ATOM 1128 CB GLN B 23 11.621 -19.054 8.911 1.00 0.00 C ATOM 1129 CG GLN B 23 11.889 -19.495 7.471 1.00 0.00 C ATOM 1130 CD GLN B 23 12.496 -20.899 7.471 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.384 -21.191 6.694 1.00 0.00 O ATOM 1132 NE2 GLN B 23 12.052 -21.788 8.318 1.00 0.00 N ATOM 0 H GLN B 23 11.811 -17.778 10.925 1.00 0.00 H new ATOM 0 HA GLN B 23 11.651 -16.979 8.215 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.534 -19.128 9.501 1.00 0.00 H new ATOM 0 HB3 GLN B 23 10.888 -19.714 9.374 1.00 0.00 H new ATOM 0 HG2 GLN B 23 10.961 -19.489 6.899 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.568 -18.794 6.985 1.00 0.00 H new ATOM 0 HE21 GLN B 23 11.307 -21.543 8.970 1.00 0.00 H new ATOM 0 HE22 GLN B 23 12.450 -22.727 8.327 1.00 0.00 H new ATOM 1141 N GLN B 24 8.749 -17.993 9.358 1.00 0.00 N ATOM 1142 CA GLN B 24 7.300 -17.979 9.003 1.00 0.00 C ATOM 1143 C GLN B 24 6.715 -16.573 9.182 1.00 0.00 C ATOM 1144 O GLN B 24 5.968 -16.093 8.353 1.00 0.00 O ATOM 1145 CB GLN B 24 6.645 -18.959 9.977 1.00 0.00 C ATOM 1146 CG GLN B 24 5.409 -19.579 9.325 1.00 0.00 C ATOM 1147 CD GLN B 24 5.826 -20.359 8.076 1.00 0.00 C ATOM 1148 OE1 GLN B 24 6.536 -21.341 8.169 1.00 0.00 O ATOM 1149 NE2 GLN B 24 5.415 -19.959 6.904 1.00 0.00 N ATOM 0 H GLN B 24 8.965 -18.349 10.289 1.00 0.00 H new ATOM 0 HA GLN B 24 7.131 -18.259 7.963 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.353 -19.740 10.254 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.364 -18.443 10.895 1.00 0.00 H new ATOM 0 HG2 GLN B 24 4.907 -20.242 10.030 1.00 0.00 H new ATOM 0 HG3 GLN B 24 4.696 -18.799 9.058 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.819 -19.135 6.826 1.00 0.00 H new ATOM 0 HE22 GLN B 24 5.690 -20.471 6.065 1.00 0.00 H new ATOM 1158 N LYS B 25 7.044 -15.913 10.258 1.00 0.00 N ATOM 1159 CA LYS B 25 6.500 -14.543 10.488 1.00 0.00 C ATOM 1160 C LYS B 25 6.987 -13.582 9.400 1.00 0.00 C ATOM 1161 O LYS B 25 6.280 -12.683 8.992 1.00 0.00 O ATOM 1162 CB LYS B 25 7.042 -14.123 11.854 1.00 0.00 C ATOM 1163 CG LYS B 25 5.959 -14.318 12.918 1.00 0.00 C ATOM 1164 CD LYS B 25 5.712 -15.814 13.129 1.00 0.00 C ATOM 1165 CE LYS B 25 4.239 -16.043 13.474 1.00 0.00 C ATOM 1166 NZ LYS B 25 3.788 -17.114 12.541 1.00 0.00 N ATOM 0 H LYS B 25 7.665 -16.262 10.988 1.00 0.00 H new ATOM 0 HA LYS B 25 5.411 -14.526 10.458 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.923 -14.714 12.104 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.356 -13.079 11.827 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.267 -13.854 13.855 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.037 -13.827 12.607 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.976 -16.368 12.228 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.347 -16.189 13.931 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.120 -16.349 14.513 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.656 -15.132 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 2.785 -17.327 12.716 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.907 -16.792 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.356 -17.971 12.696 1.00 0.00 H new ATOM 1180 N ILE B 26 8.192 -13.761 8.930 1.00 0.00 N ATOM 1181 CA ILE B 26 8.721 -12.851 7.873 1.00 0.00 C ATOM 1182 C ILE B 26 8.087 -13.183 6.518 1.00 0.00 C ATOM 1183 O ILE B 26 7.571 -12.320 5.837 1.00 0.00 O ATOM 1184 CB ILE B 26 10.225 -13.115 7.840 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.840 -12.724 9.186 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.866 -12.283 6.728 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.266 -13.271 9.275 1.00 0.00 C ATOM 0 H ILE B 26 8.832 -14.496 9.231 1.00 0.00 H new ATOM 0 HA ILE B 26 8.495 -11.805 8.079 1.00 0.00 H new ATOM 0 HB ILE B 26 10.403 -14.173 7.651 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.848 -11.639 9.292 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.236 -13.120 10.002 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.939 -12.472 6.705 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.428 -12.559 5.769 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.688 -11.224 6.917 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.703 -12.992 10.234 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.245 -14.357 9.188 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.867 -12.854 8.467 1.00 0.00 H new ATOM 1199 N HIS B 27 8.123 -14.425 6.123 1.00 0.00 N ATOM 1200 CA HIS B 27 7.525 -14.808 4.811 1.00 0.00 C ATOM 1201 C HIS B 27 6.013 -14.567 4.824 1.00 0.00 C ATOM 1202 O HIS B 27 5.393 -14.401 3.792 1.00 0.00 O ATOM 1203 CB HIS B 27 7.830 -16.298 4.658 1.00 0.00 C ATOM 1204 CG HIS B 27 9.159 -16.471 3.977 1.00 0.00 C ATOM 1205 ND1 HIS B 27 9.277 -16.565 2.599 1.00 0.00 N ATOM 1206 CD2 HIS B 27 10.437 -16.566 4.470 1.00 0.00 C ATOM 1207 CE1 HIS B 27 10.584 -16.711 2.312 1.00 0.00 C ATOM 1208 NE2 HIS B 27 11.335 -16.718 3.417 1.00 0.00 N ATOM 0 H HIS B 27 8.540 -15.192 6.651 1.00 0.00 H new ATOM 0 HA HIS B 27 7.930 -14.221 3.987 1.00 0.00 H new ATOM 0 HB2 HIS B 27 7.845 -16.779 5.636 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.046 -16.783 4.077 1.00 0.00 H new ATOM 0 HD2 HIS B 27 10.705 -16.529 5.516 1.00 0.00 H new ATOM 0 HE1 HIS B 27 10.977 -16.810 1.311 1.00 0.00 H new ATOM 0 HE2 HIS B 27 12.349 -16.814 3.476 1.00 0.00 H new ATOM 1216 N GLU B 28 5.414 -14.550 5.983 1.00 0.00 N ATOM 1217 CA GLU B 28 3.941 -14.323 6.057 1.00 0.00 C ATOM 1218 C GLU B 28 3.623 -12.830 5.932 1.00 0.00 C ATOM 1219 O GLU B 28 2.922 -12.408 5.033 1.00 0.00 O ATOM 1220 CB GLU B 28 3.530 -14.845 7.435 1.00 0.00 C ATOM 1221 CG GLU B 28 3.312 -16.357 7.365 1.00 0.00 C ATOM 1222 CD GLU B 28 1.885 -16.647 6.895 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.376 -15.875 6.098 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.325 -17.636 7.340 1.00 0.00 O ATOM 0 H GLU B 28 5.879 -14.683 6.881 1.00 0.00 H new ATOM 0 HA GLU B 28 3.406 -14.827 5.252 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.302 -14.612 8.169 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.617 -14.350 7.765 1.00 0.00 H new ATOM 0 HG2 GLU B 28 4.030 -16.807 6.680 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.482 -16.805 8.344 1.00 0.00 H new ATOM 1231 N LEU B 29 4.130 -12.028 6.828 1.00 0.00 N ATOM 1232 CA LEU B 29 3.854 -10.564 6.763 1.00 0.00 C ATOM 1233 C LEU B 29 4.233 -10.009 5.387 1.00 0.00 C ATOM 1234 O LEU B 29 3.649 -9.056 4.911 1.00 0.00 O ATOM 1235 CB LEU B 29 4.735 -9.947 7.850 1.00 0.00 C ATOM 1236 CG LEU B 29 3.873 -9.588 9.062 1.00 0.00 C ATOM 1237 CD1 LEU B 29 3.821 -10.778 10.022 1.00 0.00 C ATOM 1238 CD2 LEU B 29 4.484 -8.383 9.780 1.00 0.00 C ATOM 0 H LEU B 29 4.724 -12.323 7.603 1.00 0.00 H new ATOM 0 HA LEU B 29 2.798 -10.338 6.914 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.517 -10.649 8.141 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.233 -9.056 7.467 1.00 0.00 H new ATOM 0 HG LEU B 29 2.864 -9.344 8.731 1.00 0.00 H new ATOM 0 HD11 LEU B 29 3.207 -10.522 10.886 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.389 -11.639 9.512 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.830 -11.022 10.354 1.00 0.00 H new ATOM 0 HD21 LEU B 29 3.871 -8.125 10.644 1.00 0.00 H new ATOM 0 HD22 LEU B 29 5.493 -8.630 10.111 1.00 0.00 H new ATOM 0 HD23 LEU B 29 4.524 -7.534 9.097 1.00 0.00 H new ATOM 1250 N GLU B 30 5.207 -10.594 4.747 1.00 0.00 N ATOM 1251 CA GLU B 30 5.623 -10.094 3.404 1.00 0.00 C ATOM 1252 C GLU B 30 4.506 -10.322 2.381 1.00 0.00 C ATOM 1253 O GLU B 30 4.044 -9.401 1.736 1.00 0.00 O ATOM 1254 CB GLU B 30 6.860 -10.916 3.041 1.00 0.00 C ATOM 1255 CG GLU B 30 7.669 -10.177 1.972 1.00 0.00 C ATOM 1256 CD GLU B 30 7.459 -10.851 0.615 1.00 0.00 C ATOM 1257 OE1 GLU B 30 6.314 -11.074 0.258 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.446 -11.132 -0.044 1.00 0.00 O ATOM 0 H GLU B 30 5.733 -11.396 5.094 1.00 0.00 H new ATOM 0 HA GLU B 30 5.831 -9.024 3.410 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.473 -11.081 3.927 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.562 -11.898 2.673 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.359 -9.133 1.923 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.727 -10.183 2.233 1.00 0.00 H new ATOM 1265 N GLY B 31 4.073 -11.542 2.223 1.00 0.00 N ATOM 1266 CA GLY B 31 2.990 -11.828 1.238 1.00 0.00 C ATOM 1267 C GLY B 31 1.725 -11.054 1.619 1.00 0.00 C ATOM 1268 O GLY B 31 0.866 -10.808 0.796 1.00 0.00 O ATOM 0 H GLY B 31 4.422 -12.354 2.733 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.313 -11.545 0.236 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.780 -12.897 1.215 1.00 0.00 H new ATOM 1272 N LEU B 32 1.602 -10.671 2.860 1.00 0.00 N ATOM 1273 CA LEU B 32 0.388 -9.916 3.289 1.00 0.00 C ATOM 1274 C LEU B 32 0.494 -8.449 2.859 1.00 0.00 C ATOM 1275 O LEU B 32 -0.498 -7.769 2.689 1.00 0.00 O ATOM 1276 CB LEU B 32 0.372 -10.025 4.814 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.067 -10.202 5.299 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.600 -11.558 4.835 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.100 -10.137 6.827 1.00 0.00 C ATOM 0 H LEU B 32 2.287 -10.847 3.595 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.523 -10.313 2.841 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.981 -10.870 5.135 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.809 -9.130 5.258 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.690 -9.408 4.887 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.626 -11.683 5.181 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.576 -11.605 3.746 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -0.978 -12.353 5.246 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.125 -10.263 7.174 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.477 -10.931 7.238 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.721 -9.170 7.158 1.00 0.00 H new ATOM 1291 N MET B 33 1.690 -7.957 2.686 1.00 0.00 N ATOM 1292 CA MET B 33 1.859 -6.534 2.271 1.00 0.00 C ATOM 1293 C MET B 33 1.243 -6.301 0.887 1.00 0.00 C ATOM 1294 O MET B 33 0.570 -5.316 0.656 1.00 0.00 O ATOM 1295 CB MET B 33 3.371 -6.314 2.225 1.00 0.00 C ATOM 1296 CG MET B 33 3.793 -5.413 3.387 1.00 0.00 C ATOM 1297 SD MET B 33 5.476 -5.836 3.901 1.00 0.00 S ATOM 1298 CE MET B 33 6.309 -5.349 2.371 1.00 0.00 C ATOM 0 H MET B 33 2.558 -8.478 2.814 1.00 0.00 H new ATOM 0 HA MET B 33 1.363 -5.846 2.956 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.890 -7.271 2.286 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.654 -5.858 1.276 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.746 -4.367 3.085 1.00 0.00 H new ATOM 0 HG3 MET B 33 3.105 -5.535 4.223 1.00 0.00 H new ATOM 0 HE1 MET B 33 7.214 -4.790 2.611 1.00 0.00 H new ATOM 0 HE2 MET B 33 6.573 -6.240 1.801 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.643 -4.723 1.777 1.00 0.00 H new ATOM 1308 N MET B 34 1.473 -7.196 -0.034 1.00 0.00 N ATOM 1309 CA MET B 34 0.905 -7.022 -1.402 1.00 0.00 C ATOM 1310 C MET B 34 -0.566 -7.447 -1.435 1.00 0.00 C ATOM 1311 O MET B 34 -1.358 -6.918 -2.187 1.00 0.00 O ATOM 1312 CB MET B 34 1.745 -7.936 -2.295 1.00 0.00 C ATOM 1313 CG MET B 34 1.287 -7.792 -3.749 1.00 0.00 C ATOM 1314 SD MET B 34 2.610 -7.043 -4.734 1.00 0.00 S ATOM 1315 CE MET B 34 2.765 -5.513 -3.781 1.00 0.00 C ATOM 0 H MET B 34 2.029 -8.040 0.101 1.00 0.00 H new ATOM 0 HA MET B 34 0.937 -5.983 -1.729 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.800 -7.677 -2.208 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.643 -8.972 -1.971 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.025 -8.769 -4.156 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.390 -7.175 -3.798 1.00 0.00 H new ATOM 0 HE1 MET B 34 3.491 -4.857 -4.262 1.00 0.00 H new ATOM 0 HE2 MET B 34 1.798 -5.013 -3.736 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.100 -5.746 -2.770 1.00 0.00 H new ATOM 1325 N GLN B 35 -0.936 -8.404 -0.629 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.354 -8.869 -0.619 1.00 0.00 C ATOM 1327 C GLN B 35 -3.311 -7.680 -0.462 1.00 0.00 C ATOM 1328 O GLN B 35 -3.926 -7.238 -1.411 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.453 -9.809 0.584 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.901 -10.271 0.760 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.014 -11.750 0.386 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.383 -12.081 -0.724 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.710 -12.659 1.271 1.00 0.00 N ATOM 0 H GLN B 35 -0.318 -8.885 0.024 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.630 -9.367 -1.549 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.801 -10.671 0.439 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.112 -9.299 1.485 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.219 -10.121 1.792 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.563 -9.675 0.132 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -3.400 -12.381 2.202 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.782 -13.648 1.032 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.449 -7.167 0.730 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.374 -6.015 0.946 1.00 0.00 C ATOM 1344 C HIS B 36 -4.020 -4.857 0.005 1.00 0.00 C ATOM 1345 O HIS B 36 -4.870 -4.328 -0.684 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.166 -5.616 2.406 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.956 -6.538 3.293 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -4.521 -6.899 4.558 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.153 -7.185 3.109 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.443 -7.729 5.082 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -6.458 -7.936 4.240 1.00 0.00 N ATOM 0 H HIS B 36 -2.962 -7.495 1.564 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.413 -6.273 0.738 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.107 -5.667 2.661 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.482 -4.585 2.561 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.765 -7.121 2.221 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -5.370 -8.173 6.064 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -7.281 -8.519 4.393 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.773 -4.464 -0.038 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.363 -3.345 -0.942 1.00 0.00 C ATOM 1361 C ALA B 37 -2.928 -3.572 -2.349 1.00 0.00 C ATOM 1362 O ALA B 37 -3.346 -2.648 -3.018 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.835 -3.399 -0.966 1.00 0.00 C ATOM 0 H ALA B 37 -2.018 -4.870 0.515 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.733 -2.378 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.453 -2.607 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.450 -3.262 0.045 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.511 -4.366 -1.350 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.953 -4.801 -2.796 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.503 -5.091 -4.151 1.00 0.00 C ATOM 1371 C GLN B 38 -5.008 -4.827 -4.154 1.00 0.00 C ATOM 1372 O GLN B 38 -5.574 -4.394 -5.138 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.214 -6.573 -4.394 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.899 -6.717 -5.161 1.00 0.00 C ATOM 1375 CD GLN B 38 -1.581 -8.201 -5.355 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -1.315 -8.638 -6.457 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.596 -8.999 -4.322 1.00 0.00 N ATOM 0 H GLN B 38 -2.616 -5.615 -2.281 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.060 -4.467 -4.927 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.153 -7.103 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.029 -7.025 -4.960 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.974 -6.221 -6.129 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.092 -6.230 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.819 -8.632 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.384 -9.990 -4.440 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.657 -5.070 -3.046 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.123 -4.816 -2.967 1.00 0.00 C ATOM 1388 C ASN B 39 -7.372 -3.398 -2.440 1.00 0.00 C ATOM 1389 O ASN B 39 -8.444 -3.080 -1.964 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.654 -5.857 -1.981 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.523 -7.254 -2.592 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.623 -7.508 -3.368 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -8.387 -8.177 -2.270 1.00 0.00 N ATOM 0 H ASN B 39 -5.234 -5.434 -2.192 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.615 -4.892 -3.937 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.097 -5.804 -1.045 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.697 -5.649 -1.743 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.307 -9.112 -2.670 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -9.142 -7.964 -1.619 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.383 -2.547 -2.524 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.539 -1.149 -2.036 1.00 0.00 C ATOM 1402 C LEU B 40 -6.980 -1.129 -0.573 1.00 0.00 C ATOM 1403 O LEU B 40 -7.544 -0.164 -0.098 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.607 -0.524 -2.936 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.967 -0.077 -4.250 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.902 -1.261 -5.215 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.809 1.040 -4.871 1.00 0.00 C ATOM 0 H LEU B 40 -5.466 -2.765 -2.914 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.600 -0.598 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.400 -1.245 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.067 0.328 -2.435 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.959 0.290 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.446 -0.942 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.304 -2.058 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.910 -1.628 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.354 1.360 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.817 0.672 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.857 1.885 -4.184 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.710 -2.178 0.153 1.00 0.00 N ATOM 1420 CA GLU B 41 -7.098 -2.198 1.591 1.00 0.00 C ATOM 1421 C GLU B 41 -6.242 -1.184 2.350 1.00 0.00 C ATOM 1422 O GLU B 41 -6.733 -0.399 3.136 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.803 -3.621 2.065 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.071 -4.470 1.946 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.118 -3.967 2.941 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.729 -3.363 3.927 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.292 -4.194 2.700 1.00 0.00 O ATOM 0 H GLU B 41 -6.240 -3.018 -0.185 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.143 -1.936 1.755 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.003 -4.057 1.467 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.457 -3.607 3.099 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.464 -4.416 0.931 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.840 -5.517 2.143 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.962 -1.193 2.099 1.00 0.00 N ATOM 1435 CA PHE B 42 -4.046 -0.232 2.778 1.00 0.00 C ATOM 1436 C PHE B 42 -4.296 -0.203 4.285 1.00 0.00 C ATOM 1437 O PHE B 42 -5.079 -0.969 4.804 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.363 1.128 2.155 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.468 1.369 0.961 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.082 1.112 1.050 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -4.018 1.856 -0.247 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.246 1.342 -0.065 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.182 2.087 -1.362 1.00 0.00 C ATOM 1444 CZ PHE B 42 -1.796 1.829 -1.270 1.00 0.00 C ATOM 0 H PHE B 42 -4.507 -1.831 1.446 1.00 0.00 H new ATOM 0 HA PHE B 42 -3.001 -0.512 2.647 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.409 1.163 1.849 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -4.220 1.918 2.893 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.661 0.739 1.972 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -5.078 2.051 -0.317 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.186 1.145 0.005 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.602 2.461 -2.284 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.157 2.005 -2.123 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.596 0.667 4.976 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.710 0.791 6.463 1.00 0.00 C ATOM 1456 C GLU B 43 -3.186 -0.484 7.109 1.00 0.00 C ATOM 1457 O GLU B 43 -2.208 -0.481 7.825 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.196 1.005 6.779 1.00 0.00 C ATOM 1459 CG GLU B 43 -5.384 1.034 8.296 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.875 0.954 8.628 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -7.395 -0.149 8.670 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -7.473 1.998 8.837 1.00 0.00 O ATOM 0 H GLU B 43 -2.930 1.315 4.555 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.125 1.625 6.851 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.544 1.940 6.339 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.793 0.205 6.341 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.853 0.200 8.755 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.957 1.948 8.708 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.826 -1.571 6.836 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.377 -2.875 7.394 1.00 0.00 C ATOM 1471 C GLU B 44 -2.242 -3.446 6.538 1.00 0.00 C ATOM 1472 O GLU B 44 -1.356 -4.118 7.029 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.613 -3.780 7.344 1.00 0.00 C ATOM 1474 CG GLU B 44 -5.008 -4.050 5.889 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.195 -5.013 5.853 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.387 -5.724 6.826 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -6.895 -5.024 4.853 1.00 0.00 O ATOM 0 H GLU B 44 -4.654 -1.620 6.242 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.991 -2.784 8.409 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.405 -4.721 7.853 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.441 -3.308 7.872 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.269 -3.115 5.393 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.165 -4.475 5.345 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.272 -3.194 5.253 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.206 -3.733 4.358 1.00 0.00 C ATOM 1486 C ALA B 45 0.056 -2.868 4.417 1.00 0.00 C ATOM 1487 O ALA B 45 1.160 -3.371 4.486 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.811 -3.682 2.956 1.00 0.00 C ATOM 0 H ALA B 45 -2.989 -2.638 4.787 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.906 -4.739 4.651 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.089 -4.063 2.234 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.712 -4.295 2.926 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.065 -2.652 2.707 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.095 -1.575 4.367 1.00 0.00 N ATOM 1495 CA ALA B 46 1.100 -0.684 4.396 1.00 0.00 C ATOM 1496 C ALA B 46 1.697 -0.607 5.805 1.00 0.00 C ATOM 1497 O ALA B 46 2.842 -0.245 5.980 1.00 0.00 O ATOM 1498 CB ALA B 46 0.584 0.681 3.945 1.00 0.00 C ATOM 0 H ALA B 46 -0.993 -1.095 4.307 1.00 0.00 H new ATOM 0 HA ALA B 46 1.898 -1.053 3.752 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.406 1.397 3.939 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.167 0.599 2.941 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.190 1.023 4.632 1.00 0.00 H new ATOM 1504 N GLN B 47 0.940 -0.947 6.812 1.00 0.00 N ATOM 1505 CA GLN B 47 1.490 -0.889 8.199 1.00 0.00 C ATOM 1506 C GLN B 47 2.402 -2.092 8.460 1.00 0.00 C ATOM 1507 O GLN B 47 3.220 -2.078 9.357 1.00 0.00 O ATOM 1508 CB GLN B 47 0.270 -0.939 9.119 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.249 0.481 9.359 1.00 0.00 C ATOM 1510 CD GLN B 47 0.577 1.147 10.460 1.00 0.00 C ATOM 1511 OE1 GLN B 47 1.612 0.644 10.849 1.00 0.00 O ATOM 1512 NE2 GLN B 47 0.161 2.269 10.983 1.00 0.00 N ATOM 0 H GLN B 47 -0.028 -1.260 6.738 1.00 0.00 H new ATOM 0 HA GLN B 47 2.088 0.008 8.363 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.512 -1.552 8.670 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.536 -1.405 10.068 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.185 1.063 8.440 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -1.300 0.452 9.646 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -0.708 2.692 10.657 1.00 0.00 H new ATOM 0 HE22 GLN B 47 0.705 2.722 11.717 1.00 0.00 H new ATOM 1521 N ILE B 48 2.265 -3.132 7.684 1.00 0.00 N ATOM 1522 CA ILE B 48 3.121 -4.335 7.893 1.00 0.00 C ATOM 1523 C ILE B 48 4.567 -4.039 7.486 1.00 0.00 C ATOM 1524 O ILE B 48 5.498 -4.614 8.016 1.00 0.00 O ATOM 1525 CB ILE B 48 2.515 -5.411 6.990 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.102 -5.744 7.475 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.380 -6.672 7.042 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.334 -6.456 6.361 1.00 0.00 C ATOM 0 H ILE B 48 1.598 -3.201 6.915 1.00 0.00 H new ATOM 0 HA ILE B 48 3.148 -4.646 8.937 1.00 0.00 H new ATOM 0 HB ILE B 48 2.473 -5.042 5.965 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.150 -6.378 8.360 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.581 -4.831 7.764 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.947 -7.437 6.398 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.387 -6.437 6.699 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.423 -7.042 8.066 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.672 -6.693 6.707 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.274 -5.806 5.488 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.852 -7.377 6.093 1.00 0.00 H new ATOM 1540 N ARG B 49 4.767 -3.148 6.553 1.00 0.00 N ATOM 1541 CA ARG B 49 6.160 -2.824 6.125 1.00 0.00 C ATOM 1542 C ARG B 49 7.009 -2.454 7.344 1.00 0.00 C ATOM 1543 O ARG B 49 8.211 -2.629 7.355 1.00 0.00 O ATOM 1544 CB ARG B 49 6.022 -1.634 5.171 1.00 0.00 C ATOM 1545 CG ARG B 49 5.503 -0.412 5.935 1.00 0.00 C ATOM 1546 CD ARG B 49 6.687 0.438 6.404 1.00 0.00 C ATOM 1547 NE ARG B 49 6.214 1.099 7.652 1.00 0.00 N ATOM 1548 CZ ARG B 49 6.842 2.145 8.114 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.122 2.283 7.904 1.00 0.00 N ATOM 1550 NH2 ARG B 49 6.188 3.054 8.787 1.00 0.00 N ATOM 0 H ARG B 49 4.031 -2.632 6.070 1.00 0.00 H new ATOM 0 HA ARG B 49 6.653 -3.667 5.641 1.00 0.00 H new ATOM 0 HB2 ARG B 49 6.986 -1.407 4.716 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.338 -1.884 4.360 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.848 0.179 5.295 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.909 -0.731 6.791 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.566 -0.179 6.592 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.969 1.173 5.650 1.00 0.00 H new ATOM 0 HE ARG B 49 5.399 0.734 8.145 1.00 0.00 H new ATOM 0 HH11 ARG B 49 8.632 1.573 7.378 1.00 0.00 H new ATOM 0 HH12 ARG B 49 8.613 3.101 8.265 1.00 0.00 H new ATOM 0 HH21 ARG B 49 5.187 2.946 8.951 1.00 0.00 H new ATOM 0 HH22 ARG B 49 6.678 3.872 9.149 1.00 0.00 H new ATOM 1564 N ASP B 50 6.388 -1.946 8.374 1.00 0.00 N ATOM 1565 CA ASP B 50 7.153 -1.569 9.596 1.00 0.00 C ATOM 1566 C ASP B 50 7.488 -2.822 10.407 1.00 0.00 C ATOM 1567 O ASP B 50 8.567 -2.952 10.950 1.00 0.00 O ATOM 1568 CB ASP B 50 6.216 -0.653 10.385 1.00 0.00 C ATOM 1569 CG ASP B 50 6.989 0.573 10.872 1.00 0.00 C ATOM 1570 OD1 ASP B 50 8.184 0.449 11.083 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.373 1.615 11.024 1.00 0.00 O ATOM 0 H ASP B 50 5.383 -1.776 8.422 1.00 0.00 H new ATOM 0 HA ASP B 50 8.097 -1.077 9.361 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.380 -0.343 9.758 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.795 -1.191 11.234 1.00 0.00 H new ATOM 1576 N GLN B 51 6.573 -3.749 10.489 1.00 0.00 N ATOM 1577 CA GLN B 51 6.842 -4.996 11.260 1.00 0.00 C ATOM 1578 C GLN B 51 7.806 -5.895 10.481 1.00 0.00 C ATOM 1579 O GLN B 51 8.724 -6.465 11.035 1.00 0.00 O ATOM 1580 CB GLN B 51 5.480 -5.673 11.412 1.00 0.00 C ATOM 1581 CG GLN B 51 4.505 -4.712 12.097 1.00 0.00 C ATOM 1582 CD GLN B 51 3.072 -5.210 11.899 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.151 -4.424 11.805 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.844 -6.493 11.832 1.00 0.00 N ATOM 0 H GLN B 51 5.651 -3.697 10.056 1.00 0.00 H new ATOM 0 HA GLN B 51 7.303 -4.794 12.227 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.095 -5.963 10.434 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.580 -6.586 11.999 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.733 -4.643 13.161 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.614 -3.710 11.682 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.617 -7.153 11.911 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.892 -6.836 11.701 1.00 0.00 H new ATOM 1593 N LEU B 52 7.604 -6.021 9.198 1.00 0.00 N ATOM 1594 CA LEU B 52 8.508 -6.879 8.380 1.00 0.00 C ATOM 1595 C LEU B 52 9.925 -6.297 8.379 1.00 0.00 C ATOM 1596 O LEU B 52 10.903 -7.017 8.417 1.00 0.00 O ATOM 1597 CB LEU B 52 7.915 -6.851 6.972 1.00 0.00 C ATOM 1598 CG LEU B 52 8.329 -8.114 6.214 1.00 0.00 C ATOM 1599 CD1 LEU B 52 9.855 -8.192 6.144 1.00 0.00 C ATOM 1600 CD2 LEU B 52 7.789 -9.346 6.946 1.00 0.00 C ATOM 0 H LEU B 52 6.852 -5.567 8.680 1.00 0.00 H new ATOM 0 HA LEU B 52 8.580 -7.894 8.769 1.00 0.00 H new ATOM 0 HB2 LEU B 52 6.828 -6.787 7.026 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.260 -5.965 6.439 1.00 0.00 H new ATOM 0 HG LEU B 52 7.921 -8.081 5.204 1.00 0.00 H new ATOM 0 HD11 LEU B 52 10.149 -9.092 5.604 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.241 -7.315 5.625 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.264 -8.225 7.154 1.00 0.00 H new ATOM 0 HD21 LEU B 52 8.083 -10.247 6.408 1.00 0.00 H new ATOM 0 HD22 LEU B 52 8.198 -9.377 7.956 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.702 -9.292 6.996 1.00 0.00 H new ATOM 1612 N HIS B 53 10.041 -4.998 8.334 1.00 0.00 N ATOM 1613 CA HIS B 53 11.393 -4.369 8.331 1.00 0.00 C ATOM 1614 C HIS B 53 12.019 -4.457 9.726 1.00 0.00 C ATOM 1615 O HIS B 53 13.214 -4.609 9.871 1.00 0.00 O ATOM 1616 CB HIS B 53 11.150 -2.909 7.944 1.00 0.00 C ATOM 1617 CG HIS B 53 11.169 -2.778 6.446 1.00 0.00 C ATOM 1618 ND1 HIS B 53 10.634 -3.748 5.612 1.00 0.00 N ATOM 1619 CD2 HIS B 53 11.653 -1.798 5.618 1.00 0.00 C ATOM 1620 CE1 HIS B 53 10.808 -3.332 4.345 1.00 0.00 C ATOM 1621 NE2 HIS B 53 11.425 -2.149 4.290 1.00 0.00 N ATOM 0 H HIS B 53 9.258 -4.345 8.299 1.00 0.00 H new ATOM 0 HA HIS B 53 12.078 -4.864 7.643 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.191 -2.572 8.337 1.00 0.00 H new ATOM 0 HB3 HIS B 53 11.917 -2.272 8.385 1.00 0.00 H new ATOM 0 HD2 HIS B 53 12.138 -0.891 5.946 1.00 0.00 H new ATOM 0 HE1 HIS B 53 10.487 -3.888 3.476 1.00 0.00 H new ATOM 0 HE2 HIS B 53 11.675 -1.618 3.456 1.00 0.00 H new ATOM 1629 N GLN B 54 11.219 -4.364 10.751 1.00 0.00 N ATOM 1630 CA GLN B 54 11.769 -4.444 12.135 1.00 0.00 C ATOM 1631 C GLN B 54 12.006 -5.906 12.527 1.00 0.00 C ATOM 1632 O GLN B 54 12.897 -6.219 13.292 1.00 0.00 O ATOM 1633 CB GLN B 54 10.692 -3.821 13.023 1.00 0.00 C ATOM 1634 CG GLN B 54 11.332 -3.292 14.309 1.00 0.00 C ATOM 1635 CD GLN B 54 10.476 -2.157 14.875 1.00 0.00 C ATOM 1636 OE1 GLN B 54 10.737 -0.998 14.621 1.00 0.00 O ATOM 1637 NE2 GLN B 54 9.457 -2.444 15.639 1.00 0.00 N ATOM 0 H GLN B 54 10.209 -4.236 10.692 1.00 0.00 H new ATOM 0 HA GLN B 54 12.726 -3.930 12.230 1.00 0.00 H new ATOM 0 HB2 GLN B 54 10.193 -3.010 12.493 1.00 0.00 H new ATOM 0 HB3 GLN B 54 9.929 -4.562 13.262 1.00 0.00 H new ATOM 0 HG2 GLN B 54 11.420 -4.095 15.041 1.00 0.00 H new ATOM 0 HG3 GLN B 54 12.341 -2.934 14.105 1.00 0.00 H new ATOM 0 HE21 GLN B 54 9.238 -3.417 15.852 1.00 0.00 H new ATOM 0 HE22 GLN B 54 8.880 -1.695 16.022 1.00 0.00 H new ATOM 1646 N LEU B 55 11.207 -6.801 12.014 1.00 0.00 N ATOM 1647 CA LEU B 55 11.375 -8.242 12.361 1.00 0.00 C ATOM 1648 C LEU B 55 12.779 -8.729 11.994 1.00 0.00 C ATOM 1649 O LEU B 55 13.327 -9.603 12.634 1.00 0.00 O ATOM 1650 CB LEU B 55 10.321 -8.974 11.529 1.00 0.00 C ATOM 1651 CG LEU B 55 9.097 -9.266 12.399 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.826 -9.107 11.563 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.181 -10.699 12.929 1.00 0.00 C ATOM 0 H LEU B 55 10.444 -6.597 11.369 1.00 0.00 H new ATOM 0 HA LEU B 55 11.254 -8.420 13.430 1.00 0.00 H new ATOM 0 HB2 LEU B 55 10.034 -8.367 10.671 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.733 -9.904 11.138 1.00 0.00 H new ATOM 0 HG LEU B 55 9.071 -8.568 13.236 1.00 0.00 H new ATOM 0 HD11 LEU B 55 6.954 -9.315 12.183 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.766 -8.087 11.183 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.851 -9.805 10.726 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.310 -10.909 13.549 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.207 -11.396 12.091 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.087 -10.814 13.525 1.00 0.00 H new ATOM 1665 N ARG B 56 13.364 -8.177 10.968 1.00 0.00 N ATOM 1666 CA ARG B 56 14.729 -8.621 10.568 1.00 0.00 C ATOM 1667 C ARG B 56 15.714 -8.426 11.728 1.00 0.00 C ATOM 1668 O ARG B 56 16.746 -9.063 11.790 1.00 0.00 O ATOM 1669 CB ARG B 56 15.097 -7.734 9.375 1.00 0.00 C ATOM 1670 CG ARG B 56 15.290 -6.285 9.834 1.00 0.00 C ATOM 1671 CD ARG B 56 16.768 -6.039 10.146 1.00 0.00 C ATOM 1672 NE ARG B 56 17.120 -4.806 9.391 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.583 -4.894 8.174 1.00 0.00 C ATOM 1674 NH1 ARG B 56 16.986 -5.662 7.303 1.00 0.00 N ATOM 1675 NH2 ARG B 56 18.643 -4.216 7.829 1.00 0.00 N ATOM 0 H ARG B 56 12.958 -7.440 10.391 1.00 0.00 H new ATOM 0 HA ARG B 56 14.765 -9.679 10.309 1.00 0.00 H new ATOM 0 HB2 ARG B 56 16.011 -8.100 8.908 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.312 -7.783 8.620 1.00 0.00 H new ATOM 0 HG2 ARG B 56 14.953 -5.599 9.057 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.684 -6.089 10.718 1.00 0.00 H new ATOM 0 HD2 ARG B 56 16.929 -5.906 11.216 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.383 -6.883 9.833 1.00 0.00 H new ATOM 0 HE ARG B 56 16.999 -3.891 9.825 1.00 0.00 H new ATOM 0 HH11 ARG B 56 16.158 -6.193 7.574 1.00 0.00 H new ATOM 0 HH12 ARG B 56 17.347 -5.731 6.352 1.00 0.00 H new ATOM 0 HH21 ARG B 56 19.110 -3.617 8.510 1.00 0.00 H new ATOM 0 HH22 ARG B 56 19.005 -4.285 6.878 1.00 0.00 H new ATOM 1689 N GLU B 57 15.398 -7.554 12.645 1.00 0.00 N ATOM 1690 CA GLU B 57 16.314 -7.322 13.800 1.00 0.00 C ATOM 1691 C GLU B 57 16.165 -8.452 14.821 1.00 0.00 C ATOM 1692 O GLU B 57 17.127 -8.896 15.417 1.00 0.00 O ATOM 1693 CB GLU B 57 15.864 -5.991 14.405 1.00 0.00 C ATOM 1694 CG GLU B 57 15.860 -4.910 13.322 1.00 0.00 C ATOM 1695 CD GLU B 57 15.318 -3.604 13.905 1.00 0.00 C ATOM 1696 OE1 GLU B 57 14.507 -3.676 14.815 1.00 0.00 O ATOM 1697 OE2 GLU B 57 15.722 -2.555 13.432 1.00 0.00 O ATOM 0 H GLU B 57 14.547 -6.992 12.646 1.00 0.00 H new ATOM 0 HA GLU B 57 17.361 -7.297 13.499 1.00 0.00 H new ATOM 0 HB2 GLU B 57 14.867 -6.094 14.834 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.533 -5.704 15.217 1.00 0.00 H new ATOM 0 HG2 GLU B 57 16.870 -4.759 12.941 1.00 0.00 H new ATOM 0 HG3 GLU B 57 15.245 -5.227 12.479 1.00 0.00 H new ATOM 1704 N LEU B 58 14.964 -8.919 15.027 1.00 0.00 N ATOM 1705 CA LEU B 58 14.749 -10.021 16.009 1.00 0.00 C ATOM 1706 C LEU B 58 15.604 -11.237 15.640 1.00 0.00 C ATOM 1707 O LEU B 58 15.865 -12.094 16.460 1.00 0.00 O ATOM 1708 CB LEU B 58 13.262 -10.359 15.904 1.00 0.00 C ATOM 1709 CG LEU B 58 12.524 -9.810 17.126 1.00 0.00 C ATOM 1710 CD1 LEU B 58 11.025 -9.743 16.831 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.767 -10.733 18.323 1.00 0.00 C ATOM 0 H LEU B 58 14.122 -8.585 14.558 1.00 0.00 H new ATOM 0 HA LEU B 58 15.032 -9.732 17.021 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.845 -9.931 14.992 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.128 -11.439 15.840 1.00 0.00 H new ATOM 0 HG LEU B 58 12.893 -8.810 17.355 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.500 -9.352 17.702 1.00 0.00 H new ATOM 0 HD12 LEU B 58 10.851 -9.087 15.978 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.654 -10.742 16.602 1.00 0.00 H new ATOM 0 HD21 LEU B 58 12.242 -10.344 19.195 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.397 -11.732 18.093 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.835 -10.781 18.534 1.00 0.00 H new ATOM 1723 N PHE B 59 16.041 -11.320 14.411 1.00 0.00 N ATOM 1724 CA PHE B 59 16.878 -12.482 13.989 1.00 0.00 C ATOM 1725 C PHE B 59 18.030 -12.698 14.977 1.00 0.00 C ATOM 1726 O PHE B 59 18.309 -13.808 15.385 1.00 0.00 O ATOM 1727 CB PHE B 59 17.417 -12.100 12.610 1.00 0.00 C ATOM 1728 CG PHE B 59 18.349 -13.180 12.114 1.00 0.00 C ATOM 1729 CD1 PHE B 59 17.873 -14.499 11.942 1.00 0.00 C ATOM 1730 CD2 PHE B 59 19.696 -12.872 11.821 1.00 0.00 C ATOM 1731 CE1 PHE B 59 18.744 -15.510 11.478 1.00 0.00 C ATOM 1732 CE2 PHE B 59 20.567 -13.883 11.356 1.00 0.00 C ATOM 1733 CZ PHE B 59 20.091 -15.202 11.185 1.00 0.00 C ATOM 0 H PHE B 59 15.854 -10.633 13.681 1.00 0.00 H new ATOM 0 HA PHE B 59 16.309 -13.411 13.962 1.00 0.00 H new ATOM 0 HB2 PHE B 59 16.592 -11.967 11.910 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.944 -11.148 12.665 1.00 0.00 H new ATOM 0 HD1 PHE B 59 16.843 -14.735 12.165 1.00 0.00 H new ATOM 0 HD2 PHE B 59 20.060 -11.864 11.952 1.00 0.00 H new ATOM 0 HE1 PHE B 59 18.380 -16.518 11.347 1.00 0.00 H new ATOM 0 HE2 PHE B 59 21.597 -13.647 11.131 1.00 0.00 H new ATOM 0 HZ PHE B 59 20.757 -15.975 10.830 1.00 0.00 H new ATOM 1743 N ILE B 60 18.699 -11.648 15.362 1.00 0.00 N ATOM 1744 CA ILE B 60 19.830 -11.796 16.323 1.00 0.00 C ATOM 1745 C ILE B 60 19.294 -12.068 17.731 1.00 0.00 C ATOM 1746 O ILE B 60 19.888 -12.796 18.502 1.00 0.00 O ATOM 1747 CB ILE B 60 20.567 -10.458 16.277 1.00 0.00 C ATOM 1748 CG1 ILE B 60 21.066 -10.199 14.853 1.00 0.00 C ATOM 1749 CG2 ILE B 60 21.759 -10.497 17.234 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.748 -8.756 14.455 1.00 0.00 C ATOM 0 H ILE B 60 18.513 -10.694 15.054 1.00 0.00 H new ATOM 0 HA ILE B 60 20.484 -12.629 16.067 1.00 0.00 H new ATOM 0 HB ILE B 60 19.887 -9.660 16.576 1.00 0.00 H new ATOM 0 HG12 ILE B 60 22.140 -10.375 14.795 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.591 -10.892 14.158 1.00 0.00 H new ATOM 0 HG21 ILE B 60 22.284 -9.542 17.200 1.00 0.00 H new ATOM 0 HG22 ILE B 60 21.405 -10.681 18.248 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.439 -11.295 16.936 1.00 0.00 H new ATOM 0 HD11 ILE B 60 21.103 -8.571 13.441 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.671 -8.596 14.497 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.243 -8.071 15.143 1.00 0.00 H new ATOM 1762 N ALA B 61 18.176 -11.488 18.072 1.00 0.00 N ATOM 1763 CA ALA B 61 17.603 -11.715 19.429 1.00 0.00 C ATOM 1764 C ALA B 61 17.052 -13.139 19.538 1.00 0.00 C ATOM 1765 O ALA B 61 16.903 -13.676 20.618 1.00 0.00 O ATOM 1766 CB ALA B 61 16.474 -10.691 19.559 1.00 0.00 C ATOM 0 H ALA B 61 17.635 -10.867 17.470 1.00 0.00 H new ATOM 0 HA ALA B 61 18.348 -11.602 20.217 1.00 0.00 H new ATOM 0 HB1 ALA B 61 16.000 -10.794 20.535 1.00 0.00 H new ATOM 0 HB2 ALA B 61 16.882 -9.685 19.458 1.00 0.00 H new ATOM 0 HB3 ALA B 61 15.735 -10.863 18.777 1.00 0.00 H new ATOM 1772 N ALA B 62 16.747 -13.754 18.429 1.00 0.00 N ATOM 1773 CA ALA B 62 16.206 -15.143 18.468 1.00 0.00 C ATOM 1774 C ALA B 62 17.325 -16.154 18.206 1.00 0.00 C ATOM 1775 O ALA B 62 17.639 -16.979 19.040 1.00 0.00 O ATOM 1776 CB ALA B 62 15.163 -15.195 17.352 1.00 0.00 C ATOM 0 H ALA B 62 16.849 -13.355 17.496 1.00 0.00 H new ATOM 0 HA ALA B 62 15.776 -15.391 19.438 1.00 0.00 H new ATOM 0 HB1 ALA B 62 14.718 -16.189 17.316 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.386 -14.456 17.546 1.00 0.00 H new ATOM 0 HB3 ALA B 62 15.641 -14.977 16.397 1.00 0.00 H new ATOM 1782 N SER B 63 17.932 -16.096 17.052 1.00 0.00 N ATOM 1783 CA SER B 63 19.030 -17.055 16.736 1.00 0.00 C ATOM 1784 C SER B 63 20.384 -16.342 16.785 1.00 0.00 C ATOM 1785 O SER B 63 20.432 -15.239 17.306 1.00 0.00 O ATOM 1786 CB SER B 63 18.733 -17.546 15.321 1.00 0.00 C ATOM 1787 OG SER B 63 18.940 -16.481 14.402 1.00 0.00 O ATOM 1788 OXT SER B 63 21.349 -16.912 16.302 1.00 0.00 O ATOM 0 H SER B 63 17.715 -15.426 16.314 1.00 0.00 H new ATOM 0 HA SER B 63 19.078 -17.877 17.450 1.00 0.00 H new ATOM 0 HB2 SER B 63 19.380 -18.387 15.072 1.00 0.00 H new ATOM 0 HB3 SER B 63 17.705 -17.904 15.256 1.00 0.00 H new ATOM 0 HG SER B 63 18.659 -16.763 13.506 1.00 0.00 H new TER 1794 SER B 63