USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=8 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 18 SER OG : rot 165:sc= 0.0465 USER MOD Set 1.2: B 23 GLN : amide:sc= -2.4! C(o=-2.3!,f=-5.4!) USER MOD Set 2.1: A 18 SER OG : rot 165:sc= 0.0478 USER MOD Set 2.2: A 23 GLN : amide:sc= -2.35! C(o=-2.3!,f=-5.6!) USER MOD Single : A 12 ASN : amide:sc= -0.731 K(o=-0.73,f=-0.17) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.14) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.32) USER MOD Single : A 33 MET CE :methyl -139:sc= -4.69! (180deg=-6.4!) USER MOD Single : A 34 MET CE :methyl 131:sc= -1.89 (180deg=-2.82!) USER MOD Single : A 35 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.012) USER MOD Single : A 36 HIS : no HD1:sc= -3.82! K(o=-3.8!,f=-2.7) USER MOD Single : A 38 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.2!) USER MOD Single : A 39 ASN : amide:sc= 0.535 K(o=0.54,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.69) USER MOD Single : A 51 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.044) USER MOD Single : A 53 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.63) USER MOD Single : A 54 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.7!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.775 K(o=-0.78,f=-0.21) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.12) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=-0.3) USER MOD Single : B 33 MET CE :methyl -144:sc= -4.41! (180deg=-5.94!) USER MOD Single : B 34 MET CE :methyl 136:sc= -1.78 (180deg=-2.85!) USER MOD Single : B 35 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.0037) USER MOD Single : B 36 HIS : no HD1:sc= -3.78! K(o=-3.8!,f=-2.8) USER MOD Single : B 38 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.2!) USER MOD Single : B 39 ASN : amide:sc= 0.529 K(o=0.53,f=0) USER MOD Single : B 47 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.64) USER MOD Single : B 51 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.038) USER MOD Single : B 53 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-0.76) USER MOD Single : B 54 GLN : amide:sc= -1.88 K(o=-1.9,f=-5!) USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -31.347 16.154 -30.710 1.00 0.00 N ATOM 2 CA LEU A 8 -31.350 15.069 -31.733 1.00 0.00 C ATOM 3 C LEU A 8 -31.071 13.717 -31.072 1.00 0.00 C ATOM 4 O LEU A 8 -30.107 13.048 -31.389 1.00 0.00 O ATOM 5 CB LEU A 8 -30.226 15.435 -32.702 1.00 0.00 C ATOM 6 CG LEU A 8 -30.816 16.134 -33.929 1.00 0.00 C ATOM 7 CD1 LEU A 8 -31.051 17.611 -33.613 1.00 0.00 C ATOM 8 CD2 LEU A 8 -29.838 16.012 -35.101 1.00 0.00 C ATOM 0 HA LEU A 8 -32.311 14.981 -32.239 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -29.506 16.088 -32.210 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -29.687 14.538 -33.006 1.00 0.00 H new ATOM 0 HG LEU A 8 -31.764 15.666 -34.194 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -31.471 18.108 -34.488 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -31.745 17.698 -32.777 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -30.104 18.082 -33.348 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.256 16.509 -35.977 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -28.891 16.481 -34.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -29.671 14.959 -35.327 1.00 0.00 H new ATOM 20 N GLU A 9 -31.907 13.309 -30.157 1.00 0.00 N ATOM 21 CA GLU A 9 -31.688 12.000 -29.476 1.00 0.00 C ATOM 22 C GLU A 9 -30.268 11.933 -28.899 1.00 0.00 C ATOM 23 O GLU A 9 -29.530 11.011 -29.185 1.00 0.00 O ATOM 24 CB GLU A 9 -31.872 10.949 -30.572 1.00 0.00 C ATOM 25 CG GLU A 9 -31.932 9.557 -29.939 1.00 0.00 C ATOM 26 CD GLU A 9 -31.613 8.500 -30.998 1.00 0.00 C ATOM 27 OE1 GLU A 9 -30.490 8.485 -31.473 1.00 0.00 O ATOM 28 OE2 GLU A 9 -32.499 7.723 -31.315 1.00 0.00 O ATOM 0 H GLU A 9 -32.732 13.825 -29.851 1.00 0.00 H new ATOM 0 HA GLU A 9 -32.375 11.847 -28.644 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -32.787 11.146 -31.130 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -31.048 11.002 -31.283 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -31.220 9.489 -29.116 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -32.922 9.379 -29.519 1.00 0.00 H new ATOM 35 N PRO A 10 -29.929 12.916 -28.100 1.00 0.00 N ATOM 36 CA PRO A 10 -28.580 12.957 -27.483 1.00 0.00 C ATOM 37 C PRO A 10 -28.467 11.901 -26.378 1.00 0.00 C ATOM 38 O PRO A 10 -27.559 11.096 -26.370 1.00 0.00 O ATOM 39 CB PRO A 10 -28.494 14.365 -26.900 1.00 0.00 C ATOM 40 CG PRO A 10 -29.912 14.780 -26.673 1.00 0.00 C ATOM 41 CD PRO A 10 -30.753 14.066 -27.700 1.00 0.00 C ATOM 0 HA PRO A 10 -27.778 12.745 -28.190 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -27.927 14.372 -25.969 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -27.989 15.045 -27.586 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -30.233 14.520 -25.664 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -30.018 15.860 -26.772 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -31.707 13.746 -27.282 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -30.977 14.711 -28.550 1.00 0.00 H new ATOM 49 N ASP A 11 -29.387 11.901 -25.448 1.00 0.00 N ATOM 50 CA ASP A 11 -29.348 10.902 -24.335 1.00 0.00 C ATOM 51 C ASP A 11 -28.049 11.045 -23.535 1.00 0.00 C ATOM 52 O ASP A 11 -28.016 11.671 -22.495 1.00 0.00 O ATOM 53 CB ASP A 11 -29.419 9.529 -25.010 1.00 0.00 C ATOM 54 CG ASP A 11 -30.774 8.884 -24.713 1.00 0.00 C ATOM 55 OD1 ASP A 11 -31.255 9.048 -23.603 1.00 0.00 O ATOM 56 OD2 ASP A 11 -31.307 8.239 -25.601 1.00 0.00 O ATOM 0 H ASP A 11 -30.169 12.554 -25.411 1.00 0.00 H new ATOM 0 HA ASP A 11 -30.169 11.045 -23.633 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -29.282 9.634 -26.086 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -28.613 8.891 -24.647 1.00 0.00 H new ATOM 61 N ASN A 12 -26.981 10.472 -24.013 1.00 0.00 N ATOM 62 CA ASN A 12 -25.686 10.577 -23.279 1.00 0.00 C ATOM 63 C ASN A 12 -24.512 10.390 -24.245 1.00 0.00 C ATOM 64 O ASN A 12 -23.419 10.039 -23.846 1.00 0.00 O ATOM 65 CB ASN A 12 -25.721 9.444 -22.252 1.00 0.00 C ATOM 66 CG ASN A 12 -25.815 8.100 -22.976 1.00 0.00 C ATOM 67 OD1 ASN A 12 -24.811 7.489 -23.281 1.00 0.00 O ATOM 68 ND2 ASN A 12 -26.990 7.610 -23.265 1.00 0.00 N ATOM 0 H ASN A 12 -26.947 9.935 -24.880 1.00 0.00 H new ATOM 0 HA ASN A 12 -25.556 11.551 -22.808 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.825 9.473 -21.632 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -26.574 9.570 -21.585 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -27.064 6.714 -23.747 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -27.834 8.123 -23.009 1.00 0.00 H new ATOM 75 N VAL A 13 -24.728 10.623 -25.510 1.00 0.00 N ATOM 76 CA VAL A 13 -23.622 10.458 -26.496 1.00 0.00 C ATOM 77 C VAL A 13 -22.832 11.777 -26.636 1.00 0.00 C ATOM 78 O VAL A 13 -21.619 11.768 -26.582 1.00 0.00 O ATOM 79 CB VAL A 13 -24.322 10.034 -27.806 1.00 0.00 C ATOM 80 CG1 VAL A 13 -23.523 10.482 -29.038 1.00 0.00 C ATOM 81 CG2 VAL A 13 -24.447 8.508 -27.828 1.00 0.00 C ATOM 0 H VAL A 13 -25.621 10.920 -25.904 1.00 0.00 H new ATOM 0 HA VAL A 13 -22.885 9.713 -26.197 1.00 0.00 H new ATOM 0 HB VAL A 13 -25.303 10.507 -27.840 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -24.043 10.168 -29.943 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.426 11.568 -29.034 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.532 10.029 -29.013 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -24.940 8.197 -28.749 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -23.454 8.061 -27.779 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -25.036 8.179 -26.972 1.00 0.00 H new ATOM 91 N PRO A 14 -23.538 12.869 -26.808 1.00 0.00 N ATOM 92 CA PRO A 14 -22.869 14.178 -26.946 1.00 0.00 C ATOM 93 C PRO A 14 -22.584 14.759 -25.564 1.00 0.00 C ATOM 94 O PRO A 14 -21.515 15.271 -25.299 1.00 0.00 O ATOM 95 CB PRO A 14 -23.898 15.028 -27.678 1.00 0.00 C ATOM 96 CG PRO A 14 -25.229 14.415 -27.358 1.00 0.00 C ATOM 97 CD PRO A 14 -24.995 12.999 -26.888 1.00 0.00 C ATOM 0 HA PRO A 14 -21.915 14.125 -27.471 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -23.855 16.066 -27.348 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -23.714 15.027 -28.752 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -25.738 14.993 -26.586 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -25.872 14.422 -28.238 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -25.462 12.821 -25.919 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -25.419 12.276 -27.584 1.00 0.00 H new ATOM 105 N MET A 15 -23.542 14.686 -24.682 1.00 0.00 N ATOM 106 CA MET A 15 -23.341 15.235 -23.317 1.00 0.00 C ATOM 107 C MET A 15 -22.497 14.274 -22.475 1.00 0.00 C ATOM 108 O MET A 15 -23.017 13.471 -21.727 1.00 0.00 O ATOM 109 CB MET A 15 -24.747 15.373 -22.731 1.00 0.00 C ATOM 110 CG MET A 15 -24.885 16.734 -22.048 1.00 0.00 C ATOM 111 SD MET A 15 -25.789 17.865 -23.133 1.00 0.00 S ATOM 112 CE MET A 15 -26.067 19.174 -21.916 1.00 0.00 C ATOM 0 H MET A 15 -24.457 14.268 -24.851 1.00 0.00 H new ATOM 0 HA MET A 15 -22.812 16.188 -23.331 1.00 0.00 H new ATOM 0 HB2 MET A 15 -25.492 15.273 -23.520 1.00 0.00 H new ATOM 0 HB3 MET A 15 -24.933 14.574 -22.014 1.00 0.00 H new ATOM 0 HG2 MET A 15 -25.411 16.625 -21.099 1.00 0.00 H new ATOM 0 HG3 MET A 15 -23.899 17.141 -21.821 1.00 0.00 H new ATOM 0 HE1 MET A 15 -26.620 19.991 -22.380 1.00 0.00 H new ATOM 0 HE2 MET A 15 -26.641 18.776 -21.079 1.00 0.00 H new ATOM 0 HE3 MET A 15 -25.108 19.545 -21.555 1.00 0.00 H new ATOM 122 N ASP A 16 -21.200 14.353 -22.589 1.00 0.00 N ATOM 123 CA ASP A 16 -20.325 13.446 -21.794 1.00 0.00 C ATOM 124 C ASP A 16 -18.856 13.816 -22.004 1.00 0.00 C ATOM 125 O ASP A 16 -18.137 13.166 -22.737 1.00 0.00 O ATOM 126 CB ASP A 16 -20.608 12.042 -22.331 1.00 0.00 C ATOM 127 CG ASP A 16 -20.126 11.001 -21.319 1.00 0.00 C ATOM 128 OD1 ASP A 16 -20.322 11.219 -20.135 1.00 0.00 O ATOM 129 OD2 ASP A 16 -19.570 10.003 -21.746 1.00 0.00 O ATOM 0 H ASP A 16 -20.708 15.007 -23.198 1.00 0.00 H new ATOM 0 HA ASP A 16 -20.522 13.516 -20.724 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -21.676 11.920 -22.514 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.102 11.898 -23.286 1.00 0.00 H new ATOM 134 N MET A 17 -18.407 14.861 -21.367 1.00 0.00 N ATOM 135 CA MET A 17 -16.987 15.285 -21.531 1.00 0.00 C ATOM 136 C MET A 17 -16.279 15.350 -20.171 1.00 0.00 C ATOM 137 O MET A 17 -15.066 15.338 -20.097 1.00 0.00 O ATOM 138 CB MET A 17 -17.058 16.677 -22.164 1.00 0.00 C ATOM 139 CG MET A 17 -17.957 17.582 -21.319 1.00 0.00 C ATOM 140 SD MET A 17 -17.917 19.265 -21.986 1.00 0.00 S ATOM 141 CE MET A 17 -19.611 19.298 -22.619 1.00 0.00 C ATOM 0 H MET A 17 -18.962 15.441 -20.739 1.00 0.00 H new ATOM 0 HA MET A 17 -16.422 14.583 -22.144 1.00 0.00 H new ATOM 0 HB2 MET A 17 -16.058 17.106 -22.236 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.448 16.606 -23.179 1.00 0.00 H new ATOM 0 HG2 MET A 17 -18.979 17.202 -21.322 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.620 17.582 -20.282 1.00 0.00 H new ATOM 0 HE1 MET A 17 -19.807 20.265 -23.082 1.00 0.00 H new ATOM 0 HE2 MET A 17 -19.738 18.508 -23.359 1.00 0.00 H new ATOM 0 HE3 MET A 17 -20.310 19.141 -21.797 1.00 0.00 H new ATOM 151 N SER A 18 -17.020 15.421 -19.096 1.00 0.00 N ATOM 152 CA SER A 18 -16.380 15.491 -17.747 1.00 0.00 C ATOM 153 C SER A 18 -15.435 16.697 -17.677 1.00 0.00 C ATOM 154 O SER A 18 -15.137 17.305 -18.687 1.00 0.00 O ATOM 155 CB SER A 18 -15.600 14.182 -17.598 1.00 0.00 C ATOM 156 OG SER A 18 -16.259 13.152 -18.325 1.00 0.00 O ATOM 0 H SER A 18 -18.040 15.434 -19.093 1.00 0.00 H new ATOM 0 HA SER A 18 -17.113 15.612 -16.949 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.582 14.309 -17.967 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.525 13.908 -16.546 1.00 0.00 H new ATOM 0 HG SER A 18 -15.655 12.387 -18.429 1.00 0.00 H new ATOM 162 N PRO A 19 -14.992 17.011 -16.485 1.00 0.00 N ATOM 163 CA PRO A 19 -14.072 18.163 -16.301 1.00 0.00 C ATOM 164 C PRO A 19 -12.685 17.867 -16.881 1.00 0.00 C ATOM 165 O PRO A 19 -11.842 18.736 -16.963 1.00 0.00 O ATOM 166 CB PRO A 19 -14.007 18.333 -14.785 1.00 0.00 C ATOM 167 CG PRO A 19 -14.351 16.987 -14.234 1.00 0.00 C ATOM 168 CD PRO A 19 -15.295 16.342 -15.212 1.00 0.00 C ATOM 0 HA PRO A 19 -14.416 19.061 -16.815 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.014 18.649 -14.465 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.710 19.092 -14.442 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.454 16.381 -14.107 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.816 17.079 -13.252 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.131 15.266 -15.276 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.335 16.489 -14.920 1.00 0.00 H new ATOM 176 N LYS A 20 -12.451 16.650 -17.290 1.00 0.00 N ATOM 177 CA LYS A 20 -11.124 16.276 -17.876 1.00 0.00 C ATOM 178 C LYS A 20 -10.005 16.427 -16.836 1.00 0.00 C ATOM 179 O LYS A 20 -9.456 15.451 -16.364 1.00 0.00 O ATOM 180 CB LYS A 20 -10.907 17.227 -19.059 1.00 0.00 C ATOM 181 CG LYS A 20 -9.940 16.588 -20.057 1.00 0.00 C ATOM 182 CD LYS A 20 -8.559 16.450 -19.412 1.00 0.00 C ATOM 183 CE LYS A 20 -7.477 16.681 -20.468 1.00 0.00 C ATOM 184 NZ LYS A 20 -6.190 16.423 -19.763 1.00 0.00 N ATOM 0 H LYS A 20 -13.128 15.888 -17.244 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.107 15.234 -18.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.858 17.442 -19.545 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.507 18.178 -18.706 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.310 15.609 -20.363 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.873 17.199 -20.957 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.451 17.171 -18.602 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.448 15.458 -18.973 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.604 16.009 -21.317 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.517 17.698 -20.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.399 16.562 -20.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.094 17.082 -18.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.178 15.445 -19.409 1.00 0.00 H new ATOM 198 N ALA A 21 -9.660 17.634 -16.469 1.00 0.00 N ATOM 199 CA ALA A 21 -8.579 17.823 -15.458 1.00 0.00 C ATOM 200 C ALA A 21 -8.894 17.004 -14.204 1.00 0.00 C ATOM 201 O ALA A 21 -8.152 16.121 -13.824 1.00 0.00 O ATOM 202 CB ALA A 21 -8.589 19.318 -15.139 1.00 0.00 C ATOM 0 H ALA A 21 -10.079 18.494 -16.824 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.606 17.494 -15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.819 19.537 -14.400 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.391 19.885 -16.048 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.564 19.599 -14.741 1.00 0.00 H new ATOM 208 N LEU A 22 -10.000 17.282 -13.571 1.00 0.00 N ATOM 209 CA LEU A 22 -10.376 16.511 -12.353 1.00 0.00 C ATOM 210 C LEU A 22 -10.402 15.013 -12.691 1.00 0.00 C ATOM 211 O LEU A 22 -9.664 14.226 -12.133 1.00 0.00 O ATOM 212 CB LEU A 22 -11.772 17.047 -11.982 1.00 0.00 C ATOM 213 CG LEU A 22 -12.567 16.008 -11.179 1.00 0.00 C ATOM 214 CD1 LEU A 22 -11.758 15.578 -9.957 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.894 16.621 -10.727 1.00 0.00 C ATOM 0 H LEU A 22 -10.660 18.010 -13.845 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.678 16.625 -11.524 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.670 17.962 -11.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.318 17.306 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.764 15.138 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.323 14.840 -9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.814 15.140 -10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.559 16.446 -9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.460 15.884 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.698 17.492 -10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.471 16.924 -11.601 1.00 0.00 H new ATOM 227 N GLN A 23 -11.247 14.621 -13.606 1.00 0.00 N ATOM 228 CA GLN A 23 -11.326 13.180 -13.992 1.00 0.00 C ATOM 229 C GLN A 23 -9.925 12.627 -14.272 1.00 0.00 C ATOM 230 O GLN A 23 -9.585 11.535 -13.862 1.00 0.00 O ATOM 231 CB GLN A 23 -12.177 13.161 -15.265 1.00 0.00 C ATOM 232 CG GLN A 23 -12.232 11.737 -15.822 1.00 0.00 C ATOM 233 CD GLN A 23 -13.466 11.585 -16.715 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.653 12.345 -17.645 1.00 0.00 O ATOM 235 NE2 GLN A 23 -14.318 10.629 -16.472 1.00 0.00 N ATOM 0 H GLN A 23 -11.888 15.237 -14.105 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.756 12.563 -13.203 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.184 13.517 -15.047 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.754 13.837 -16.008 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -11.328 11.523 -16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -12.270 11.017 -15.005 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -14.160 9.992 -15.691 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.142 10.518 -17.062 1.00 0.00 H new ATOM 244 N GLN A 24 -9.109 13.374 -14.964 1.00 0.00 N ATOM 245 CA GLN A 24 -7.731 12.891 -15.261 1.00 0.00 C ATOM 246 C GLN A 24 -6.917 12.805 -13.968 1.00 0.00 C ATOM 247 O GLN A 24 -6.067 11.950 -13.813 1.00 0.00 O ATOM 248 CB GLN A 24 -7.136 13.943 -16.199 1.00 0.00 C ATOM 249 CG GLN A 24 -5.768 13.470 -16.695 1.00 0.00 C ATOM 250 CD GLN A 24 -5.947 12.262 -17.616 1.00 0.00 C ATOM 251 OE1 GLN A 24 -6.244 12.412 -18.784 1.00 0.00 O ATOM 252 NE2 GLN A 24 -5.778 11.060 -17.136 1.00 0.00 N ATOM 0 H GLN A 24 -9.336 14.296 -15.336 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.727 11.897 -15.709 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.803 14.110 -17.045 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.036 14.895 -15.678 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.265 14.276 -17.229 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.135 13.204 -15.849 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.529 10.933 -16.155 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.895 10.248 -17.742 1.00 0.00 H new ATOM 261 N LYS A 25 -7.176 13.681 -13.036 1.00 0.00 N ATOM 262 CA LYS A 25 -6.423 13.647 -11.750 1.00 0.00 C ATOM 263 C LYS A 25 -6.877 12.453 -10.907 1.00 0.00 C ATOM 264 O LYS A 25 -6.073 11.697 -10.399 1.00 0.00 O ATOM 265 CB LYS A 25 -6.772 14.962 -11.051 1.00 0.00 C ATOM 266 CG LYS A 25 -5.531 15.855 -10.993 1.00 0.00 C ATOM 267 CD LYS A 25 -5.499 16.765 -12.221 1.00 0.00 C ATOM 268 CE LYS A 25 -4.490 17.894 -11.996 1.00 0.00 C ATOM 269 NZ LYS A 25 -4.113 18.352 -13.362 1.00 0.00 N ATOM 0 H LYS A 25 -7.876 14.419 -13.109 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.349 13.540 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.573 15.470 -11.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.138 14.764 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.544 16.455 -10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.630 15.242 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.225 16.190 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.490 17.180 -12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.929 18.705 -11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.619 17.541 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.423 19.127 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.692 17.561 -13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.961 18.689 -13.861 1.00 0.00 H new ATOM 283 N ILE A 26 -8.162 12.276 -10.755 1.00 0.00 N ATOM 284 CA ILE A 26 -8.666 11.129 -9.949 1.00 0.00 C ATOM 285 C ILE A 26 -8.072 9.820 -10.475 1.00 0.00 C ATOM 286 O ILE A 26 -7.474 9.059 -9.741 1.00 0.00 O ATOM 287 CB ILE A 26 -10.183 11.146 -10.137 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.757 12.429 -9.533 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.800 9.934 -9.435 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.179 12.646 -10.052 1.00 0.00 C ATOM 0 H ILE A 26 -8.883 12.876 -11.154 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.389 11.206 -8.898 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.416 11.107 -11.201 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.762 12.361 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.129 13.280 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.882 9.947 -9.570 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.392 9.019 -9.864 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.566 9.972 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.588 13.560 -9.622 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.160 12.733 -11.138 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.804 11.800 -9.767 1.00 0.00 H new ATOM 302 N HIS A 27 -8.231 9.555 -11.743 1.00 0.00 N ATOM 303 CA HIS A 27 -7.672 8.297 -12.316 1.00 0.00 C ATOM 304 C HIS A 27 -6.150 8.278 -12.154 1.00 0.00 C ATOM 305 O HIS A 27 -5.529 7.234 -12.141 1.00 0.00 O ATOM 306 CB HIS A 27 -8.055 8.330 -13.794 1.00 0.00 C ATOM 307 CG HIS A 27 -9.439 7.769 -13.966 1.00 0.00 C ATOM 308 ND1 HIS A 27 -10.308 7.606 -12.899 1.00 0.00 N ATOM 309 CD2 HIS A 27 -10.120 7.327 -15.075 1.00 0.00 C ATOM 310 CE1 HIS A 27 -11.453 7.087 -13.383 1.00 0.00 C ATOM 311 NE2 HIS A 27 -11.391 6.897 -14.704 1.00 0.00 N ATOM 0 H HIS A 27 -8.723 10.154 -12.406 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.057 7.407 -11.818 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.017 9.353 -14.168 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.341 7.750 -14.379 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.729 7.315 -16.081 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.316 6.853 -12.777 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.119 6.518 -15.310 1.00 0.00 H new ATOM 319 N GLU A 28 -5.544 9.428 -12.031 1.00 0.00 N ATOM 320 CA GLU A 28 -4.063 9.478 -11.869 1.00 0.00 C ATOM 321 C GLU A 28 -3.679 9.175 -10.419 1.00 0.00 C ATOM 322 O GLU A 28 -2.830 8.348 -10.150 1.00 0.00 O ATOM 323 CB GLU A 28 -3.671 10.909 -12.240 1.00 0.00 C ATOM 324 CG GLU A 28 -2.978 10.913 -13.603 1.00 0.00 C ATOM 325 CD GLU A 28 -1.585 10.295 -13.470 1.00 0.00 C ATOM 326 OE1 GLU A 28 -0.815 10.786 -12.662 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.312 9.341 -14.180 1.00 0.00 O ATOM 0 H GLU A 28 -6.011 10.335 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.555 8.742 -12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.557 11.544 -12.269 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.007 11.323 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.570 10.350 -14.325 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.900 11.933 -13.980 1.00 0.00 H new ATOM 334 N LEU A 29 -4.298 9.837 -9.480 1.00 0.00 N ATOM 335 CA LEU A 29 -3.969 9.586 -8.048 1.00 0.00 C ATOM 336 C LEU A 29 -4.266 8.128 -7.687 1.00 0.00 C ATOM 337 O LEU A 29 -3.481 7.468 -7.036 1.00 0.00 O ATOM 338 CB LEU A 29 -4.878 10.530 -7.261 1.00 0.00 C ATOM 339 CG LEU A 29 -4.154 11.857 -7.025 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.292 12.742 -8.266 1.00 0.00 C ATOM 341 CD2 LEU A 29 -4.775 12.568 -5.821 1.00 0.00 C ATOM 0 H LEU A 29 -5.018 10.541 -9.643 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.915 9.760 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.804 10.701 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.151 10.078 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.099 11.666 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.776 13.687 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.851 12.236 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.347 12.934 -8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.260 13.514 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.830 12.759 -6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.678 11.938 -4.937 1.00 0.00 H new ATOM 353 N GLU A 30 -5.393 7.621 -8.105 1.00 0.00 N ATOM 354 CA GLU A 30 -5.738 6.206 -7.786 1.00 0.00 C ATOM 355 C GLU A 30 -4.618 5.273 -8.255 1.00 0.00 C ATOM 356 O GLU A 30 -4.186 4.394 -7.535 1.00 0.00 O ATOM 357 CB GLU A 30 -7.028 5.928 -8.558 1.00 0.00 C ATOM 358 CG GLU A 30 -7.933 5.014 -7.730 1.00 0.00 C ATOM 359 CD GLU A 30 -8.805 4.175 -8.666 1.00 0.00 C ATOM 360 OE1 GLU A 30 -9.721 4.733 -9.248 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.544 2.989 -8.783 1.00 0.00 O ATOM 0 H GLU A 30 -6.090 8.125 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.862 6.041 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.542 6.864 -8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.798 5.459 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.329 4.363 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.561 5.610 -7.067 1.00 0.00 H new ATOM 368 N GLY A 31 -4.145 5.458 -9.457 1.00 0.00 N ATOM 369 CA GLY A 31 -3.053 4.584 -9.970 1.00 0.00 C ATOM 370 C GLY A 31 -1.766 4.869 -9.195 1.00 0.00 C ATOM 371 O GLY A 31 -0.937 4.000 -9.009 1.00 0.00 O ATOM 0 H GLY A 31 -4.467 6.176 -10.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.331 3.536 -9.862 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.897 4.765 -11.034 1.00 0.00 H new ATOM 375 N LEU A 32 -1.592 6.080 -8.741 1.00 0.00 N ATOM 376 CA LEU A 32 -0.358 6.420 -7.976 1.00 0.00 C ATOM 377 C LEU A 32 -0.363 5.703 -6.623 1.00 0.00 C ATOM 378 O LEU A 32 0.674 5.444 -6.043 1.00 0.00 O ATOM 379 CB LEU A 32 -0.416 7.935 -7.781 1.00 0.00 C ATOM 380 CG LEU A 32 0.991 8.470 -7.516 1.00 0.00 C ATOM 381 CD1 LEU A 32 1.790 8.480 -8.820 1.00 0.00 C ATOM 382 CD2 LEU A 32 0.898 9.896 -6.966 1.00 0.00 C ATOM 0 H LEU A 32 -2.251 6.849 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 32 0.549 6.112 -8.496 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.836 8.410 -8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.073 8.180 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 32 1.491 7.830 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.793 8.862 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.857 7.466 -9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.291 9.120 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.901 10.279 -6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.397 10.535 -7.694 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.330 9.891 -6.036 1.00 0.00 H new ATOM 394 N MET A 33 -1.522 5.382 -6.116 1.00 0.00 N ATOM 395 CA MET A 33 -1.591 4.683 -4.800 1.00 0.00 C ATOM 396 C MET A 33 -0.923 3.308 -4.899 1.00 0.00 C ATOM 397 O MET A 33 0.038 3.024 -4.211 1.00 0.00 O ATOM 398 CB MET A 33 -3.085 4.531 -4.508 1.00 0.00 C ATOM 399 CG MET A 33 -3.441 5.318 -3.245 1.00 0.00 C ATOM 400 SD MET A 33 -4.981 6.229 -3.514 1.00 0.00 S ATOM 401 CE MET A 33 -6.110 4.949 -2.911 1.00 0.00 C ATOM 0 H MET A 33 -2.423 5.573 -6.555 1.00 0.00 H new ATOM 0 HA MET A 33 -1.076 5.233 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.670 4.894 -5.353 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.335 3.478 -4.376 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.551 4.639 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.636 6.009 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.984 4.899 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.601 3.985 -2.912 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.426 5.191 -1.896 1.00 0.00 H new ATOM 411 N MET A 34 -1.423 2.456 -5.750 1.00 0.00 N ATOM 412 CA MET A 34 -0.816 1.102 -5.893 1.00 0.00 C ATOM 413 C MET A 34 0.642 1.222 -6.347 1.00 0.00 C ATOM 414 O MET A 34 1.475 0.402 -6.017 1.00 0.00 O ATOM 415 CB MET A 34 -1.654 0.404 -6.964 1.00 0.00 C ATOM 416 CG MET A 34 -1.409 -1.105 -6.903 1.00 0.00 C ATOM 417 SD MET A 34 -2.063 -1.759 -5.348 1.00 0.00 S ATOM 418 CE MET A 34 -3.780 -1.243 -5.590 1.00 0.00 C ATOM 0 H MET A 34 -2.225 2.638 -6.353 1.00 0.00 H new ATOM 0 HA MET A 34 -0.812 0.549 -4.953 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.712 0.618 -6.809 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.393 0.786 -7.951 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.891 -1.597 -7.748 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.342 -1.314 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.444 -2.084 -5.392 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.014 -0.427 -4.906 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.917 -0.906 -6.618 1.00 0.00 H new ATOM 428 N GLN A 35 0.954 2.241 -7.102 1.00 0.00 N ATOM 429 CA GLN A 35 2.357 2.418 -7.578 1.00 0.00 C ATOM 430 C GLN A 35 3.335 2.337 -6.400 1.00 0.00 C ATOM 431 O GLN A 35 4.000 1.341 -6.202 1.00 0.00 O ATOM 432 CB GLN A 35 2.385 3.810 -8.212 1.00 0.00 C ATOM 433 CG GLN A 35 3.815 4.157 -8.634 1.00 0.00 C ATOM 434 CD GLN A 35 3.913 4.154 -10.161 1.00 0.00 C ATOM 435 OE1 GLN A 35 4.711 3.435 -10.729 1.00 0.00 O ATOM 436 NE2 GLN A 35 3.127 4.931 -10.853 1.00 0.00 N ATOM 0 H GLN A 35 0.298 2.959 -7.410 1.00 0.00 H new ATOM 0 HA GLN A 35 2.655 1.643 -8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.723 3.839 -9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.015 4.551 -7.503 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.093 5.136 -8.243 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.515 3.435 -8.213 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.457 5.534 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.182 4.935 -11.872 1.00 0.00 H new ATOM 445 N HIS A 36 3.425 3.376 -5.617 1.00 0.00 N ATOM 446 CA HIS A 36 4.360 3.353 -4.454 1.00 0.00 C ATOM 447 C HIS A 36 4.067 2.138 -3.566 1.00 0.00 C ATOM 448 O HIS A 36 4.962 1.422 -3.165 1.00 0.00 O ATOM 449 CB HIS A 36 4.087 4.656 -3.703 1.00 0.00 C ATOM 450 CG HIS A 36 4.853 5.777 -4.351 1.00 0.00 C ATOM 451 ND1 HIS A 36 4.295 7.027 -4.561 1.00 0.00 N ATOM 452 CD2 HIS A 36 6.133 5.850 -4.841 1.00 0.00 C ATOM 453 CE1 HIS A 36 5.229 7.793 -5.155 1.00 0.00 C ATOM 454 NE2 HIS A 36 6.368 7.124 -5.349 1.00 0.00 N ATOM 0 H HIS A 36 2.893 4.239 -5.731 1.00 0.00 H new ATOM 0 HA HIS A 36 5.403 3.274 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.020 4.877 -3.713 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.382 4.555 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.849 5.042 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.076 8.823 -5.440 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.226 7.472 -5.777 1.00 0.00 H new ATOM 462 N ALA A 37 2.818 1.894 -3.265 1.00 0.00 N ATOM 463 CA ALA A 37 2.468 0.720 -2.413 1.00 0.00 C ATOM 464 C ALA A 37 3.108 -0.549 -2.986 1.00 0.00 C ATOM 465 O ALA A 37 3.626 -1.377 -2.262 1.00 0.00 O ATOM 466 CB ALA A 37 0.942 0.625 -2.477 1.00 0.00 C ATOM 0 H ALA A 37 2.025 2.457 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 37 2.826 0.827 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.604 -0.217 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.504 1.546 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.630 0.479 -3.511 1.00 0.00 H new ATOM 472 N GLN A 38 3.085 -0.702 -4.284 1.00 0.00 N ATOM 473 CA GLN A 38 3.702 -1.911 -4.903 1.00 0.00 C ATOM 474 C GLN A 38 5.173 -1.992 -4.500 1.00 0.00 C ATOM 475 O GLN A 38 5.710 -3.059 -4.270 1.00 0.00 O ATOM 476 CB GLN A 38 3.566 -1.703 -6.413 1.00 0.00 C ATOM 477 CG GLN A 38 2.496 -2.647 -6.964 1.00 0.00 C ATOM 478 CD GLN A 38 3.068 -3.431 -8.147 1.00 0.00 C ATOM 479 OE1 GLN A 38 4.040 -3.020 -8.749 1.00 0.00 O ATOM 480 NE2 GLN A 38 2.503 -4.550 -8.506 1.00 0.00 N ATOM 0 H GLN A 38 2.666 -0.043 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 38 3.224 -2.837 -4.584 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.297 -0.668 -6.625 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.521 -1.892 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.165 -3.334 -6.185 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.621 -2.078 -7.280 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.687 -4.895 -8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.877 -5.081 -9.293 1.00 0.00 H new ATOM 489 N ASN A 39 5.827 -0.866 -4.394 1.00 0.00 N ATOM 490 CA ASN A 39 7.259 -0.867 -3.985 1.00 0.00 C ATOM 491 C ASN A 39 7.361 -0.729 -2.461 1.00 0.00 C ATOM 492 O ASN A 39 8.393 -0.374 -1.928 1.00 0.00 O ATOM 493 CB ASN A 39 7.873 0.350 -4.678 1.00 0.00 C ATOM 494 CG ASN A 39 7.760 0.185 -6.195 1.00 0.00 C ATOM 495 OD1 ASN A 39 8.662 -0.323 -6.832 1.00 0.00 O ATOM 496 ND2 ASN A 39 6.681 0.595 -6.805 1.00 0.00 N ATOM 0 H ASN A 39 5.429 0.056 -4.574 1.00 0.00 H new ATOM 0 HA ASN A 39 7.772 -1.788 -4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.361 1.259 -4.361 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.919 0.456 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 39 6.595 0.489 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.924 1.021 -6.271 1.00 0.00 H new ATOM 503 N LEU A 40 6.291 -1.007 -1.760 1.00 0.00 N ATOM 504 CA LEU A 40 6.309 -0.896 -0.275 1.00 0.00 C ATOM 505 C LEU A 40 6.751 0.502 0.159 1.00 0.00 C ATOM 506 O LEU A 40 7.234 0.699 1.257 1.00 0.00 O ATOM 507 CB LEU A 40 7.306 -1.955 0.197 1.00 0.00 C ATOM 508 CG LEU A 40 6.644 -3.334 0.150 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.680 -3.867 -1.283 1.00 0.00 C ATOM 510 CD2 LEU A 40 7.403 -4.294 1.070 1.00 0.00 C ATOM 0 H LEU A 40 5.401 -1.308 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 40 5.320 -1.053 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.193 -1.943 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.636 -1.733 1.212 1.00 0.00 H new ATOM 0 HG LEU A 40 5.609 -3.253 0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.209 -4.849 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.142 -3.183 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.715 -3.949 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.933 -5.277 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.438 -4.376 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.380 -3.914 2.091 1.00 0.00 H new ATOM 522 N GLU A 41 6.574 1.479 -0.687 1.00 0.00 N ATOM 523 CA GLU A 41 6.967 2.865 -0.307 1.00 0.00 C ATOM 524 C GLU A 41 6.045 3.359 0.807 1.00 0.00 C ATOM 525 O GLU A 41 6.480 3.927 1.789 1.00 0.00 O ATOM 526 CB GLU A 41 6.776 3.695 -1.578 1.00 0.00 C ATOM 527 CG GLU A 41 7.938 3.432 -2.539 1.00 0.00 C ATOM 528 CD GLU A 41 8.893 4.626 -2.526 1.00 0.00 C ATOM 529 OE1 GLU A 41 9.776 4.644 -1.683 1.00 0.00 O ATOM 530 OE2 GLU A 41 8.728 5.501 -3.359 1.00 0.00 O ATOM 0 H GLU A 41 6.176 1.379 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 41 7.991 2.932 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.830 3.437 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.729 4.755 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.468 2.526 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.559 3.267 -3.548 1.00 0.00 H new ATOM 537 N PHE A 42 4.769 3.125 0.662 1.00 0.00 N ATOM 538 CA PHE A 42 3.796 3.553 1.707 1.00 0.00 C ATOM 539 C PHE A 42 4.013 5.015 2.094 1.00 0.00 C ATOM 540 O PHE A 42 4.844 5.693 1.530 1.00 0.00 O ATOM 541 CB PHE A 42 4.063 2.633 2.897 1.00 0.00 C ATOM 542 CG PHE A 42 3.342 1.325 2.686 1.00 0.00 C ATOM 543 CD1 PHE A 42 1.979 1.325 2.317 1.00 0.00 C ATOM 544 CD2 PHE A 42 4.028 0.102 2.856 1.00 0.00 C ATOM 545 CE1 PHE A 42 1.301 0.103 2.119 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.350 -1.122 2.658 1.00 0.00 C ATOM 547 CZ PHE A 42 1.986 -1.121 2.289 1.00 0.00 C ATOM 0 H PHE A 42 4.356 2.652 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 42 2.767 3.481 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.134 2.458 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.723 3.104 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.455 2.260 2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 42 5.071 0.102 3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.258 0.104 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.874 -2.057 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.467 -2.056 2.137 1.00 0.00 H new ATOM 557 N GLU A 43 3.235 5.492 3.037 1.00 0.00 N ATOM 558 CA GLU A 43 3.310 6.912 3.499 1.00 0.00 C ATOM 559 C GLU A 43 2.870 7.828 2.364 1.00 0.00 C ATOM 560 O GLU A 43 1.880 8.522 2.453 1.00 0.00 O ATOM 561 CB GLU A 43 4.769 7.175 3.893 1.00 0.00 C ATOM 562 CG GLU A 43 4.923 8.646 4.279 1.00 0.00 C ATOM 563 CD GLU A 43 6.408 8.990 4.405 1.00 0.00 C ATOM 564 OE1 GLU A 43 6.999 9.354 3.402 1.00 0.00 O ATOM 565 OE2 GLU A 43 6.929 8.884 5.504 1.00 0.00 O ATOM 0 H GLU A 43 2.529 4.936 3.519 1.00 0.00 H new ATOM 0 HA GLU A 43 2.656 7.101 4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.055 6.535 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.433 6.932 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.455 9.281 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.413 8.840 5.222 1.00 0.00 H new ATOM 572 N GLU A 44 3.592 7.806 1.294 1.00 0.00 N ATOM 573 CA GLU A 44 3.229 8.643 0.120 1.00 0.00 C ATOM 574 C GLU A 44 2.157 7.931 -0.712 1.00 0.00 C ATOM 575 O GLU A 44 1.332 8.557 -1.349 1.00 0.00 O ATOM 576 CB GLU A 44 4.527 8.803 -0.678 1.00 0.00 C ATOM 577 CG GLU A 44 4.980 7.444 -1.221 1.00 0.00 C ATOM 578 CD GLU A 44 6.175 7.642 -2.155 1.00 0.00 C ATOM 579 OE1 GLU A 44 6.216 8.660 -2.827 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.030 6.772 -2.183 1.00 0.00 O ATOM 0 H GLU A 44 4.431 7.238 1.174 1.00 0.00 H new ATOM 0 HA GLU A 44 2.818 9.611 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.373 9.500 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.304 9.227 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.253 6.784 -0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.162 6.963 -1.757 1.00 0.00 H new ATOM 587 N ALA A 45 2.172 6.623 -0.720 1.00 0.00 N ATOM 588 CA ALA A 45 1.166 5.867 -1.521 1.00 0.00 C ATOM 589 C ALA A 45 -0.170 5.769 -0.780 1.00 0.00 C ATOM 590 O ALA A 45 -1.224 5.954 -1.357 1.00 0.00 O ATOM 591 CB ALA A 45 1.773 4.476 -1.696 1.00 0.00 C ATOM 0 H ALA A 45 2.838 6.046 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 45 0.957 6.358 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.093 3.853 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.726 4.558 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.933 4.023 -0.718 1.00 0.00 H new ATOM 597 N ALA A 46 -0.139 5.458 0.486 1.00 0.00 N ATOM 598 CA ALA A 46 -1.413 5.326 1.249 1.00 0.00 C ATOM 599 C ALA A 46 -1.990 6.700 1.601 1.00 0.00 C ATOM 600 O ALA A 46 -3.162 6.827 1.893 1.00 0.00 O ATOM 601 CB ALA A 46 -1.038 4.549 2.510 1.00 0.00 C ATOM 0 H ALA A 46 0.711 5.290 1.025 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.184 4.817 0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.925 4.409 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.633 3.576 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.288 5.107 3.071 1.00 0.00 H new ATOM 607 N GLN A 47 -1.189 7.730 1.576 1.00 0.00 N ATOM 608 CA GLN A 47 -1.725 9.083 1.908 1.00 0.00 C ATOM 609 C GLN A 47 -2.647 9.570 0.788 1.00 0.00 C ATOM 610 O GLN A 47 -3.648 10.213 1.033 1.00 0.00 O ATOM 611 CB GLN A 47 -0.502 9.988 2.022 1.00 0.00 C ATOM 612 CG GLN A 47 -0.048 10.054 3.481 1.00 0.00 C ATOM 613 CD GLN A 47 -1.146 10.698 4.329 1.00 0.00 C ATOM 614 OE1 GLN A 47 -1.870 10.016 5.027 1.00 0.00 O ATOM 615 NE2 GLN A 47 -1.302 11.994 4.298 1.00 0.00 N ATOM 0 H GLN A 47 -0.197 7.696 1.343 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.309 9.078 2.828 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.305 9.607 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.741 10.988 1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.171 9.052 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.873 10.631 3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.694 12.567 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.031 12.433 4.860 1.00 0.00 H new ATOM 624 N ILE A 48 -2.320 9.265 -0.441 1.00 0.00 N ATOM 625 CA ILE A 48 -3.184 9.709 -1.575 1.00 0.00 C ATOM 626 C ILE A 48 -4.638 9.309 -1.310 1.00 0.00 C ATOM 627 O ILE A 48 -5.564 9.959 -1.752 1.00 0.00 O ATOM 628 CB ILE A 48 -2.636 8.978 -2.802 1.00 0.00 C ATOM 629 CG1 ILE A 48 -1.214 9.463 -3.089 1.00 0.00 C ATOM 630 CG2 ILE A 48 -3.527 9.269 -4.011 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.484 8.427 -3.946 1.00 0.00 C ATOM 0 H ILE A 48 -1.494 8.729 -0.708 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.171 10.790 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.624 7.905 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.243 10.422 -3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.677 9.621 -2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.136 8.748 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.541 8.925 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.540 10.342 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.529 8.773 -4.150 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.443 7.477 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.018 8.292 -4.887 1.00 0.00 H new ATOM 643 N ARG A 49 -4.840 8.248 -0.577 1.00 0.00 N ATOM 644 CA ARG A 49 -6.229 7.808 -0.264 1.00 0.00 C ATOM 645 C ARG A 49 -7.007 8.980 0.350 1.00 0.00 C ATOM 646 O ARG A 49 -8.219 9.037 0.284 1.00 0.00 O ATOM 647 CB ARG A 49 -6.047 6.655 0.737 1.00 0.00 C ATOM 648 CG ARG A 49 -7.358 6.359 1.476 1.00 0.00 C ATOM 649 CD ARG A 49 -7.170 6.633 2.971 1.00 0.00 C ATOM 650 NE ARG A 49 -6.697 8.045 3.057 1.00 0.00 N ATOM 651 CZ ARG A 49 -7.438 8.945 3.641 1.00 0.00 C ATOM 652 NH1 ARG A 49 -8.726 8.963 3.434 1.00 0.00 N ATOM 653 NH2 ARG A 49 -6.892 9.828 4.431 1.00 0.00 N ATOM 0 H ARG A 49 -4.102 7.666 -0.181 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.794 7.487 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.712 5.761 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.270 6.912 1.456 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.161 6.980 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.651 5.321 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.104 6.497 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.444 5.948 3.408 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.795 8.306 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.153 8.273 2.816 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.306 9.667 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.885 9.815 4.592 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.472 10.532 4.888 1.00 0.00 H new ATOM 667 N ASP A 50 -6.315 9.916 0.939 1.00 0.00 N ATOM 668 CA ASP A 50 -7.010 11.087 1.548 1.00 0.00 C ATOM 669 C ASP A 50 -7.396 12.087 0.455 1.00 0.00 C ATOM 670 O ASP A 50 -8.403 12.762 0.546 1.00 0.00 O ATOM 671 CB ASP A 50 -5.988 11.703 2.503 1.00 0.00 C ATOM 672 CG ASP A 50 -6.719 12.476 3.603 1.00 0.00 C ATOM 673 OD1 ASP A 50 -7.865 12.834 3.386 1.00 0.00 O ATOM 674 OD2 ASP A 50 -6.120 12.696 4.643 1.00 0.00 O ATOM 0 H ASP A 50 -5.299 9.921 1.025 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.927 10.805 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.368 10.922 2.943 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.320 12.370 1.957 1.00 0.00 H new ATOM 679 N GLN A 51 -6.606 12.184 -0.579 1.00 0.00 N ATOM 680 CA GLN A 51 -6.929 13.136 -1.678 1.00 0.00 C ATOM 681 C GLN A 51 -7.986 12.527 -2.604 1.00 0.00 C ATOM 682 O GLN A 51 -8.956 13.167 -2.960 1.00 0.00 O ATOM 683 CB GLN A 51 -5.612 13.339 -2.429 1.00 0.00 C ATOM 684 CG GLN A 51 -4.535 13.813 -1.452 1.00 0.00 C ATOM 685 CD GLN A 51 -3.172 13.795 -2.146 1.00 0.00 C ATOM 686 OE1 GLN A 51 -2.214 13.269 -1.617 1.00 0.00 O ATOM 687 NE2 GLN A 51 -3.044 14.353 -3.320 1.00 0.00 N ATOM 0 H GLN A 51 -5.750 11.645 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.333 14.077 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.304 12.407 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.744 14.072 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.764 14.820 -1.103 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.516 13.168 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.848 14.795 -3.765 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.140 14.347 -3.792 1.00 0.00 H new ATOM 696 N LEU A 52 -7.808 11.294 -2.992 1.00 0.00 N ATOM 697 CA LEU A 52 -8.804 10.643 -3.891 1.00 0.00 C ATOM 698 C LEU A 52 -10.182 10.627 -3.224 1.00 0.00 C ATOM 699 O LEU A 52 -11.197 10.798 -3.869 1.00 0.00 O ATOM 700 CB LEU A 52 -8.287 9.218 -4.089 1.00 0.00 C ATOM 701 CG LEU A 52 -8.690 8.713 -5.476 1.00 0.00 C ATOM 702 CD1 LEU A 52 -10.213 8.747 -5.611 1.00 0.00 C ATOM 703 CD2 LEU A 52 -8.063 9.610 -6.546 1.00 0.00 C ATOM 0 H LEU A 52 -7.016 10.709 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.914 11.170 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.202 9.196 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.695 8.562 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.338 7.690 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.499 8.387 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.660 8.109 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.567 9.770 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.349 9.251 -7.535 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.415 10.633 -6.415 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.977 9.585 -6.451 1.00 0.00 H new ATOM 715 N HIS A 53 -10.224 10.425 -1.935 1.00 0.00 N ATOM 716 CA HIS A 53 -11.536 10.401 -1.227 1.00 0.00 C ATOM 717 C HIS A 53 -12.297 11.705 -1.485 1.00 0.00 C ATOM 718 O HIS A 53 -13.444 11.697 -1.883 1.00 0.00 O ATOM 719 CB HIS A 53 -11.184 10.269 0.255 1.00 0.00 C ATOM 720 CG HIS A 53 -12.391 9.798 1.018 1.00 0.00 C ATOM 721 ND1 HIS A 53 -13.537 10.567 1.137 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.645 8.638 1.708 1.00 0.00 C ATOM 723 CE1 HIS A 53 -14.421 9.868 1.872 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.927 8.684 2.246 1.00 0.00 N ATOM 0 H HIS A 53 -9.408 10.276 -1.342 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.176 9.586 -1.567 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.362 9.564 0.383 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.845 11.228 0.646 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.954 7.815 1.816 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -15.409 10.221 2.128 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -14.390 7.968 2.806 1.00 0.00 H new ATOM 732 N GLN A 54 -11.664 12.824 -1.261 1.00 0.00 N ATOM 733 CA GLN A 54 -12.349 14.127 -1.496 1.00 0.00 C ATOM 734 C GLN A 54 -12.463 14.398 -2.998 1.00 0.00 C ATOM 735 O GLN A 54 -13.447 14.933 -3.469 1.00 0.00 O ATOM 736 CB GLN A 54 -11.454 15.172 -0.828 1.00 0.00 C ATOM 737 CG GLN A 54 -12.326 16.237 -0.159 1.00 0.00 C ATOM 738 CD GLN A 54 -12.716 17.299 -1.190 1.00 0.00 C ATOM 739 OE1 GLN A 54 -13.500 17.038 -2.080 1.00 0.00 O ATOM 740 NE2 GLN A 54 -12.198 18.494 -1.105 1.00 0.00 N ATOM 0 H GLN A 54 -10.703 12.893 -0.926 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.361 14.141 -1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.811 14.696 -0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.801 15.634 -1.568 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.220 15.778 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.785 16.698 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.540 18.712 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.452 19.209 -1.786 1.00 0.00 H new ATOM 749 N LEU A 55 -11.463 14.033 -3.753 1.00 0.00 N ATOM 750 CA LEU A 55 -11.515 14.268 -5.225 1.00 0.00 C ATOM 751 C LEU A 55 -12.638 13.437 -5.852 1.00 0.00 C ATOM 752 O LEU A 55 -13.280 13.855 -6.794 1.00 0.00 O ATOM 753 CB LEU A 55 -10.152 13.810 -5.747 1.00 0.00 C ATOM 754 CG LEU A 55 -9.251 15.028 -5.961 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.786 14.597 -5.902 1.00 0.00 C ATOM 756 CD2 LEU A 55 -9.546 15.644 -7.331 1.00 0.00 C ATOM 0 H LEU A 55 -10.613 13.583 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.716 15.311 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.691 13.124 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.274 13.266 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.444 15.764 -5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.145 15.465 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.575 14.157 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.592 13.861 -6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.905 16.512 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.353 14.907 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.591 15.952 -7.374 1.00 0.00 H new ATOM 768 N ARG A 56 -12.879 12.264 -5.334 1.00 0.00 N ATOM 769 CA ARG A 56 -13.961 11.407 -5.900 1.00 0.00 C ATOM 770 C ARG A 56 -15.278 12.187 -5.948 1.00 0.00 C ATOM 771 O ARG A 56 -15.885 12.336 -6.990 1.00 0.00 O ATOM 772 CB ARG A 56 -14.072 10.223 -4.940 1.00 0.00 C ATOM 773 CG ARG A 56 -15.189 9.288 -5.406 1.00 0.00 C ATOM 774 CD ARG A 56 -15.635 8.403 -4.241 1.00 0.00 C ATOM 775 NE ARG A 56 -16.863 7.716 -4.727 1.00 0.00 N ATOM 776 CZ ARG A 56 -16.769 6.565 -5.334 1.00 0.00 C ATOM 777 NH1 ARG A 56 -16.224 5.548 -4.725 1.00 0.00 N ATOM 778 NH2 ARG A 56 -17.222 6.430 -6.551 1.00 0.00 N ATOM 0 H ARG A 56 -12.375 11.862 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.745 11.085 -6.918 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.125 9.684 -4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.279 10.578 -3.931 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.033 9.869 -5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.839 8.670 -6.233 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.861 7.684 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -15.841 8.997 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.778 8.145 -4.585 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.871 5.653 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.151 4.648 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.649 7.224 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.149 5.530 -7.026 1.00 0.00 H new ATOM 792 N GLU A 57 -15.723 12.686 -4.828 1.00 0.00 N ATOM 793 CA GLU A 57 -17.000 13.458 -4.809 1.00 0.00 C ATOM 794 C GLU A 57 -16.890 14.669 -5.738 1.00 0.00 C ATOM 795 O GLU A 57 -17.826 15.022 -6.429 1.00 0.00 O ATOM 796 CB GLU A 57 -17.175 13.910 -3.359 1.00 0.00 C ATOM 797 CG GLU A 57 -17.098 12.698 -2.429 1.00 0.00 C ATOM 798 CD GLU A 57 -17.776 13.030 -1.097 1.00 0.00 C ATOM 799 OE1 GLU A 57 -18.933 13.417 -1.126 1.00 0.00 O ATOM 800 OE2 GLU A 57 -17.127 12.893 -0.074 1.00 0.00 O ATOM 0 H GLU A 57 -15.259 12.593 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.847 12.864 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.401 14.632 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.134 14.413 -3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.584 11.840 -2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.057 12.422 -2.260 1.00 0.00 H new ATOM 807 N LEU A 58 -15.753 15.308 -5.757 1.00 0.00 N ATOM 808 CA LEU A 58 -15.579 16.498 -6.639 1.00 0.00 C ATOM 809 C LEU A 58 -15.956 16.146 -8.082 1.00 0.00 C ATOM 810 O LEU A 58 -16.287 17.005 -8.874 1.00 0.00 O ATOM 811 CB LEU A 58 -14.093 16.848 -6.544 1.00 0.00 C ATOM 812 CG LEU A 58 -13.936 18.320 -6.159 1.00 0.00 C ATOM 813 CD1 LEU A 58 -12.961 18.441 -4.988 1.00 0.00 C ATOM 814 CD2 LEU A 58 -13.392 19.104 -7.357 1.00 0.00 C ATOM 0 H LEU A 58 -14.936 15.058 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.214 17.331 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.606 16.214 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.602 16.657 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.905 18.724 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.850 19.490 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.346 17.882 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.991 18.037 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.280 20.153 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.423 18.699 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.086 19.019 -8.193 1.00 0.00 H new ATOM 826 N PHE A 59 -15.909 14.887 -8.428 1.00 0.00 N ATOM 827 CA PHE A 59 -16.265 14.481 -9.819 1.00 0.00 C ATOM 828 C PHE A 59 -17.633 15.051 -10.205 1.00 0.00 C ATOM 829 O PHE A 59 -17.777 15.720 -11.208 1.00 0.00 O ATOM 830 CB PHE A 59 -16.311 12.953 -9.785 1.00 0.00 C ATOM 831 CG PHE A 59 -16.270 12.417 -11.195 1.00 0.00 C ATOM 832 CD1 PHE A 59 -15.081 12.515 -11.954 1.00 0.00 C ATOM 833 CD2 PHE A 59 -17.419 11.817 -11.757 1.00 0.00 C ATOM 834 CE1 PHE A 59 -15.043 12.013 -13.275 1.00 0.00 C ATOM 835 CE2 PHE A 59 -17.380 11.315 -13.078 1.00 0.00 C ATOM 836 CZ PHE A 59 -16.192 11.414 -13.836 1.00 0.00 C ATOM 0 H PHE A 59 -15.640 14.123 -7.808 1.00 0.00 H new ATOM 0 HA PHE A 59 -15.550 14.852 -10.553 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -15.468 12.566 -9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.218 12.617 -9.283 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -14.202 12.973 -11.525 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -18.327 11.742 -11.177 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -14.135 12.088 -13.855 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -18.258 10.856 -13.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -16.163 11.031 -14.845 1.00 0.00 H new ATOM 846 N ILE A 60 -18.639 14.792 -9.415 1.00 0.00 N ATOM 847 CA ILE A 60 -19.996 15.320 -9.738 1.00 0.00 C ATOM 848 C ILE A 60 -20.083 16.806 -9.381 1.00 0.00 C ATOM 849 O ILE A 60 -20.685 17.589 -10.088 1.00 0.00 O ATOM 850 CB ILE A 60 -20.954 14.503 -8.871 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.800 13.017 -9.203 1.00 0.00 C ATOM 852 CG2 ILE A 60 -22.393 14.941 -9.151 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.729 12.209 -7.906 1.00 0.00 C ATOM 0 H ILE A 60 -18.581 14.238 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.232 15.234 -10.799 1.00 0.00 H new ATOM 0 HB ILE A 60 -20.722 14.667 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.641 12.680 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -19.898 12.857 -9.793 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -23.077 14.359 -8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.503 16.000 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -22.625 14.777 -10.203 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.619 11.151 -8.142 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -19.873 12.540 -7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -21.644 12.360 -7.333 1.00 0.00 H new ATOM 865 N ALA A 61 -19.485 17.201 -8.290 1.00 0.00 N ATOM 866 CA ALA A 61 -19.534 18.637 -7.890 1.00 0.00 C ATOM 867 C ALA A 61 -19.002 19.519 -9.022 1.00 0.00 C ATOM 868 O ALA A 61 -19.312 20.691 -9.106 1.00 0.00 O ATOM 869 CB ALA A 61 -18.629 18.736 -6.661 1.00 0.00 C ATOM 0 H ALA A 61 -18.965 16.592 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 61 -20.549 18.973 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -18.611 19.766 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -19.012 18.086 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.618 18.427 -6.928 1.00 0.00 H new ATOM 875 N ALA A 62 -18.204 18.965 -9.894 1.00 0.00 N ATOM 876 CA ALA A 62 -17.654 19.773 -11.020 1.00 0.00 C ATOM 877 C ALA A 62 -18.455 19.513 -12.299 1.00 0.00 C ATOM 878 O ALA A 62 -19.215 20.348 -12.747 1.00 0.00 O ATOM 879 CB ALA A 62 -16.212 19.294 -11.183 1.00 0.00 C ATOM 0 H ALA A 62 -17.909 17.989 -9.876 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.708 20.844 -10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.736 19.843 -11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.664 19.469 -10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.206 18.228 -11.412 1.00 0.00 H new ATOM 885 N SER A 63 -18.289 18.361 -12.889 1.00 0.00 N ATOM 886 CA SER A 63 -19.042 18.048 -14.138 1.00 0.00 C ATOM 887 C SER A 63 -19.383 16.558 -14.192 1.00 0.00 C ATOM 888 O SER A 63 -18.834 15.815 -13.393 1.00 0.00 O ATOM 889 CB SER A 63 -18.092 18.423 -15.276 1.00 0.00 C ATOM 890 OG SER A 63 -18.695 19.429 -16.079 1.00 0.00 O ATOM 891 OXT SER A 63 -20.187 16.183 -15.029 1.00 0.00 O ATOM 0 H SER A 63 -17.665 17.623 -12.561 1.00 0.00 H new ATOM 0 HA SER A 63 -19.986 18.590 -14.198 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.146 18.783 -14.872 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.867 17.545 -15.881 1.00 0.00 H new ATOM 0 HG SER A 63 -18.088 19.673 -16.809 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 30.869 -34.591 6.051 1.00 0.00 N ATOM 899 CA LEU B 8 30.836 -35.258 4.717 1.00 0.00 C ATOM 900 C LEU B 8 30.553 -34.232 3.619 1.00 0.00 C ATOM 901 O LEU B 8 29.573 -34.326 2.905 1.00 0.00 O ATOM 902 CB LEU B 8 29.697 -36.274 4.811 1.00 0.00 C ATOM 903 CG LEU B 8 30.271 -37.659 5.113 1.00 0.00 C ATOM 904 CD1 LEU B 8 30.533 -37.786 6.614 1.00 0.00 C ATOM 905 CD2 LEU B 8 29.269 -38.731 4.679 1.00 0.00 C ATOM 0 HA LEU B 8 31.785 -35.732 4.468 1.00 0.00 H new ATOM 0 HB2 LEU B 8 28.997 -35.980 5.594 1.00 0.00 H new ATOM 0 HB3 LEU B 8 29.138 -36.297 3.876 1.00 0.00 H new ATOM 0 HG LEU B 8 31.206 -37.792 4.568 1.00 0.00 H new ATOM 0 HD11 LEU B 8 30.942 -38.773 6.830 1.00 0.00 H new ATOM 0 HD12 LEU B 8 31.246 -37.022 6.925 1.00 0.00 H new ATOM 0 HD13 LEU B 8 29.598 -37.654 7.159 1.00 0.00 H new ATOM 0 HD21 LEU B 8 29.677 -39.719 4.894 1.00 0.00 H new ATOM 0 HD22 LEU B 8 28.335 -38.598 5.224 1.00 0.00 H new ATOM 0 HD23 LEU B 8 29.081 -38.641 3.609 1.00 0.00 H new ATOM 917 N GLU B 9 31.401 -33.250 3.476 1.00 0.00 N ATOM 918 CA GLU B 9 31.178 -32.218 2.423 1.00 0.00 C ATOM 919 C GLU B 9 29.770 -31.623 2.552 1.00 0.00 C ATOM 920 O GLU B 9 29.013 -31.620 1.601 1.00 0.00 O ATOM 921 CB GLU B 9 31.326 -32.966 1.098 1.00 0.00 C ATOM 922 CG GLU B 9 31.379 -31.960 -0.054 1.00 0.00 C ATOM 923 CD GLU B 9 31.026 -32.664 -1.365 1.00 0.00 C ATOM 924 OE1 GLU B 9 29.893 -33.097 -1.495 1.00 0.00 O ATOM 925 OE2 GLU B 9 31.894 -32.759 -2.216 1.00 0.00 O ATOM 0 H GLU B 9 32.239 -33.118 4.043 1.00 0.00 H new ATOM 0 HA GLU B 9 31.880 -31.388 2.503 1.00 0.00 H new ATOM 0 HB2 GLU B 9 32.233 -33.570 1.109 1.00 0.00 H new ATOM 0 HB3 GLU B 9 30.489 -33.650 0.959 1.00 0.00 H new ATOM 0 HG2 GLU B 9 30.682 -31.143 0.131 1.00 0.00 H new ATOM 0 HG3 GLU B 9 32.374 -31.521 -0.122 1.00 0.00 H new ATOM 932 N PRO B 10 29.461 -31.137 3.730 1.00 0.00 N ATOM 933 CA PRO B 10 28.126 -30.536 3.972 1.00 0.00 C ATOM 934 C PRO B 10 28.021 -29.173 3.283 1.00 0.00 C ATOM 935 O PRO B 10 27.102 -28.919 2.530 1.00 0.00 O ATOM 936 CB PRO B 10 28.071 -30.383 5.490 1.00 0.00 C ATOM 937 CG PRO B 10 29.499 -30.307 5.925 1.00 0.00 C ATOM 938 CD PRO B 10 30.309 -31.099 4.930 1.00 0.00 C ATOM 0 HA PRO B 10 27.307 -31.139 3.579 1.00 0.00 H new ATOM 0 HB2 PRO B 10 27.523 -29.485 5.776 1.00 0.00 H new ATOM 0 HB3 PRO B 10 27.562 -31.228 5.953 1.00 0.00 H new ATOM 0 HG2 PRO B 10 29.837 -29.271 5.959 1.00 0.00 H new ATOM 0 HG3 PRO B 10 29.618 -30.714 6.929 1.00 0.00 H new ATOM 0 HD2 PRO B 10 31.268 -30.622 4.726 1.00 0.00 H new ATOM 0 HD3 PRO B 10 30.524 -32.102 5.299 1.00 0.00 H new ATOM 946 N ASP B 11 28.960 -28.296 3.532 1.00 0.00 N ATOM 947 CA ASP B 11 28.930 -26.942 2.898 1.00 0.00 C ATOM 948 C ASP B 11 27.650 -26.197 3.290 1.00 0.00 C ATOM 949 O ASP B 11 27.647 -25.381 4.189 1.00 0.00 O ATOM 950 CB ASP B 11 28.968 -27.193 1.387 1.00 0.00 C ATOM 951 CG ASP B 11 30.320 -26.744 0.830 1.00 0.00 C ATOM 952 OD1 ASP B 11 30.826 -25.737 1.297 1.00 0.00 O ATOM 953 OD2 ASP B 11 30.826 -27.416 -0.054 1.00 0.00 O ATOM 0 H ASP B 11 29.753 -28.461 4.152 1.00 0.00 H new ATOM 0 HA ASP B 11 29.768 -26.324 3.222 1.00 0.00 H new ATOM 0 HB2 ASP B 11 28.810 -28.251 1.179 1.00 0.00 H new ATOM 0 HB3 ASP B 11 28.161 -26.648 0.897 1.00 0.00 H new ATOM 958 N ASN B 12 26.563 -26.472 2.624 1.00 0.00 N ATOM 959 CA ASN B 12 25.287 -25.780 2.960 1.00 0.00 C ATOM 960 C ASN B 12 24.090 -26.632 2.526 1.00 0.00 C ATOM 961 O ASN B 12 23.001 -26.133 2.325 1.00 0.00 O ATOM 962 CB ASN B 12 25.326 -24.471 2.171 1.00 0.00 C ATOM 963 CG ASN B 12 25.387 -24.778 0.674 1.00 0.00 C ATOM 964 OD1 ASN B 12 24.368 -24.878 0.020 1.00 0.00 O ATOM 965 ND2 ASN B 12 26.549 -24.932 0.098 1.00 0.00 N ATOM 0 H ASN B 12 26.503 -27.146 1.861 1.00 0.00 H new ATOM 0 HA ASN B 12 25.182 -25.608 4.031 1.00 0.00 H new ATOM 0 HB2 ASN B 12 24.442 -23.873 2.394 1.00 0.00 H new ATOM 0 HB3 ASN B 12 26.193 -23.881 2.468 1.00 0.00 H new ATOM 0 HD21 ASN B 12 26.600 -25.136 -0.900 1.00 0.00 H new ATOM 0 HD22 ASN B 12 27.405 -24.848 0.646 1.00 0.00 H new ATOM 972 N VAL B 13 24.283 -27.915 2.379 1.00 0.00 N ATOM 973 CA VAL B 13 23.154 -28.793 1.958 1.00 0.00 C ATOM 974 C VAL B 13 22.381 -29.295 3.196 1.00 0.00 C ATOM 975 O VAL B 13 21.169 -29.223 3.227 1.00 0.00 O ATOM 976 CB VAL B 13 23.822 -29.936 1.161 1.00 0.00 C ATOM 977 CG1 VAL B 13 23.004 -31.233 1.252 1.00 0.00 C ATOM 978 CG2 VAL B 13 23.926 -29.519 -0.308 1.00 0.00 C ATOM 0 H VAL B 13 25.171 -28.392 2.532 1.00 0.00 H new ATOM 0 HA VAL B 13 22.412 -28.280 1.346 1.00 0.00 H new ATOM 0 HB VAL B 13 24.809 -30.121 1.585 1.00 0.00 H new ATOM 0 HG11 VAL B 13 23.501 -32.017 0.681 1.00 0.00 H new ATOM 0 HG12 VAL B 13 22.923 -31.540 2.295 1.00 0.00 H new ATOM 0 HG13 VAL B 13 22.007 -31.064 0.845 1.00 0.00 H new ATOM 0 HG21 VAL B 13 24.396 -30.318 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL B 13 22.928 -29.328 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL B 13 24.528 -28.614 -0.387 1.00 0.00 H new ATOM 988 N PRO B 14 23.099 -29.786 4.180 1.00 0.00 N ATOM 989 CA PRO B 14 22.445 -30.285 5.405 1.00 0.00 C ATOM 990 C PRO B 14 22.196 -29.125 6.366 1.00 0.00 C ATOM 991 O PRO B 14 21.139 -29.001 6.952 1.00 0.00 O ATOM 992 CB PRO B 14 23.470 -31.247 5.988 1.00 0.00 C ATOM 993 CG PRO B 14 24.798 -30.785 5.469 1.00 0.00 C ATOM 994 CD PRO B 14 24.555 -29.923 4.253 1.00 0.00 C ATOM 0 HA PRO B 14 21.480 -30.756 5.220 1.00 0.00 H new ATOM 0 HB2 PRO B 14 23.448 -31.230 7.078 1.00 0.00 H new ATOM 0 HB3 PRO B 14 23.264 -32.272 5.681 1.00 0.00 H new ATOM 0 HG2 PRO B 14 25.330 -30.221 6.235 1.00 0.00 H new ATOM 0 HG3 PRO B 14 25.423 -31.640 5.210 1.00 0.00 H new ATOM 0 HD2 PRO B 14 25.040 -28.952 4.353 1.00 0.00 H new ATOM 0 HD3 PRO B 14 24.955 -30.388 3.352 1.00 0.00 H new ATOM 1002 N MET B 15 23.171 -28.275 6.531 1.00 0.00 N ATOM 1003 CA MET B 15 23.005 -27.123 7.454 1.00 0.00 C ATOM 1004 C MET B 15 22.165 -26.027 6.793 1.00 0.00 C ATOM 1005 O MET B 15 22.689 -25.086 6.229 1.00 0.00 O ATOM 1006 CB MET B 15 24.424 -26.624 7.727 1.00 0.00 C ATOM 1007 CG MET B 15 24.594 -26.364 9.225 1.00 0.00 C ATOM 1008 SD MET B 15 25.492 -27.743 9.978 1.00 0.00 S ATOM 1009 CE MET B 15 25.813 -26.960 11.578 1.00 0.00 C ATOM 0 H MET B 15 24.076 -28.330 6.065 1.00 0.00 H new ATOM 0 HA MET B 15 22.489 -27.403 8.372 1.00 0.00 H new ATOM 0 HB2 MET B 15 25.152 -27.362 7.390 1.00 0.00 H new ATOM 0 HB3 MET B 15 24.614 -25.710 7.165 1.00 0.00 H new ATOM 0 HG2 MET B 15 25.137 -25.432 9.384 1.00 0.00 H new ATOM 0 HG3 MET B 15 23.619 -26.249 9.698 1.00 0.00 H new ATOM 0 HE1 MET B 15 26.368 -27.648 12.215 1.00 0.00 H new ATOM 0 HE2 MET B 15 26.398 -26.052 11.428 1.00 0.00 H new ATOM 0 HE3 MET B 15 24.866 -26.707 12.056 1.00 0.00 H new ATOM 1019 N ASP B 16 20.867 -26.138 6.859 1.00 0.00 N ATOM 1020 CA ASP B 16 19.996 -25.100 6.237 1.00 0.00 C ATOM 1021 C ASP B 16 18.528 -25.386 6.559 1.00 0.00 C ATOM 1022 O ASP B 16 17.786 -25.889 5.739 1.00 0.00 O ATOM 1023 CB ASP B 16 20.249 -25.215 4.733 1.00 0.00 C ATOM 1024 CG ASP B 16 19.775 -23.939 4.036 1.00 0.00 C ATOM 1025 OD1 ASP B 16 19.998 -22.871 4.582 1.00 0.00 O ATOM 1026 OD2 ASP B 16 19.195 -24.051 2.969 1.00 0.00 O ATOM 0 H ASP B 16 20.371 -26.903 7.317 1.00 0.00 H new ATOM 0 HA ASP B 16 20.215 -24.099 6.609 1.00 0.00 H new ATOM 0 HB2 ASP B 16 21.311 -25.373 4.543 1.00 0.00 H new ATOM 0 HB3 ASP B 16 19.721 -26.079 4.330 1.00 0.00 H new ATOM 1031 N MET B 17 18.108 -25.070 7.751 1.00 0.00 N ATOM 1032 CA MET B 17 16.690 -25.326 8.138 1.00 0.00 C ATOM 1033 C MET B 17 16.011 -24.032 8.605 1.00 0.00 C ATOM 1034 O MET B 17 14.800 -23.938 8.637 1.00 0.00 O ATOM 1035 CB MET B 17 16.768 -26.336 9.286 1.00 0.00 C ATOM 1036 CG MET B 17 17.697 -25.801 10.380 1.00 0.00 C ATOM 1037 SD MET B 17 17.666 -26.925 11.799 1.00 0.00 S ATOM 1038 CE MET B 17 19.347 -27.567 11.617 1.00 0.00 C ATOM 0 H MET B 17 18.685 -24.645 8.477 1.00 0.00 H new ATOM 0 HA MET B 17 16.101 -25.700 7.301 1.00 0.00 H new ATOM 0 HB2 MET B 17 15.773 -26.514 9.695 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.137 -27.293 8.917 1.00 0.00 H new ATOM 0 HG2 MET B 17 18.713 -25.710 9.997 1.00 0.00 H new ATOM 0 HG3 MET B 17 17.381 -24.804 10.685 1.00 0.00 H new ATOM 0 HE1 MET B 17 19.547 -28.293 12.405 1.00 0.00 H new ATOM 0 HE2 MET B 17 19.449 -28.050 10.645 1.00 0.00 H new ATOM 0 HE3 MET B 17 20.060 -26.746 11.691 1.00 0.00 H new ATOM 1048 N SER B 18 16.776 -23.035 8.969 1.00 0.00 N ATOM 1049 CA SER B 18 16.165 -21.754 9.436 1.00 0.00 C ATOM 1050 C SER B 18 15.237 -22.020 10.628 1.00 0.00 C ATOM 1051 O SER B 18 14.927 -23.157 10.925 1.00 0.00 O ATOM 1052 CB SER B 18 15.370 -21.222 8.240 1.00 0.00 C ATOM 1053 OG SER B 18 16.000 -21.631 7.033 1.00 0.00 O ATOM 0 H SER B 18 17.796 -23.052 8.963 1.00 0.00 H new ATOM 0 HA SER B 18 16.916 -21.037 9.768 1.00 0.00 H new ATOM 0 HB2 SER B 18 14.347 -21.597 8.274 1.00 0.00 H new ATOM 0 HB3 SER B 18 15.313 -20.134 8.282 1.00 0.00 H new ATOM 0 HG SER B 18 15.384 -21.501 6.282 1.00 0.00 H new ATOM 1059 N PRO B 19 14.823 -20.963 11.281 1.00 0.00 N ATOM 1060 CA PRO B 19 13.923 -21.103 12.455 1.00 0.00 C ATOM 1061 C PRO B 19 12.521 -21.552 12.030 1.00 0.00 C ATOM 1062 O PRO B 19 11.688 -21.867 12.855 1.00 0.00 O ATOM 1063 CB PRO B 19 13.892 -19.701 13.055 1.00 0.00 C ATOM 1064 CG PRO B 19 14.228 -18.790 11.919 1.00 0.00 C ATOM 1065 CD PRO B 19 15.143 -19.555 11.002 1.00 0.00 C ATOM 0 HA PRO B 19 14.268 -21.858 13.161 1.00 0.00 H new ATOM 0 HB2 PRO B 19 12.911 -19.470 13.470 1.00 0.00 H new ATOM 0 HB3 PRO B 19 14.612 -19.603 13.867 1.00 0.00 H new ATOM 0 HG2 PRO B 19 13.325 -18.480 11.393 1.00 0.00 H new ATOM 0 HG3 PRO B 19 14.714 -17.884 12.281 1.00 0.00 H new ATOM 0 HD2 PRO B 19 14.963 -19.304 9.957 1.00 0.00 H new ATOM 0 HD3 PRO B 19 16.191 -19.335 11.207 1.00 0.00 H new ATOM 1073 N LYS B 20 12.262 -21.589 10.753 1.00 0.00 N ATOM 1074 CA LYS B 20 10.917 -22.022 10.250 1.00 0.00 C ATOM 1075 C LYS B 20 9.822 -21.051 10.716 1.00 0.00 C ATOM 1076 O LYS B 20 9.271 -20.309 9.928 1.00 0.00 O ATOM 1077 CB LYS B 20 10.690 -23.425 10.825 1.00 0.00 C ATOM 1078 CG LYS B 20 9.693 -24.181 9.944 1.00 0.00 C ATOM 1079 CD LYS B 20 8.326 -23.502 10.023 1.00 0.00 C ATOM 1080 CE LYS B 20 7.224 -24.563 9.961 1.00 0.00 C ATOM 1081 NZ LYS B 20 5.950 -23.793 9.941 1.00 0.00 N ATOM 0 H LYS B 20 12.929 -21.336 10.024 1.00 0.00 H new ATOM 0 HA LYS B 20 10.879 -22.028 9.161 1.00 0.00 H new ATOM 0 HB2 LYS B 20 11.634 -23.968 10.873 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.311 -23.355 11.845 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.043 -24.198 8.912 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.615 -25.218 10.271 1.00 0.00 H new ATOM 0 HD2 LYS B 20 8.245 -22.932 10.948 1.00 0.00 H new ATOM 0 HD3 LYS B 20 8.211 -22.795 9.201 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.324 -25.184 9.071 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.269 -25.230 10.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.147 -24.452 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 5.880 -23.216 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 5.933 -23.172 9.107 1.00 0.00 H new ATOM 1095 N ALA B 21 9.501 -21.043 11.984 1.00 0.00 N ATOM 1096 CA ALA B 21 8.445 -20.112 12.477 1.00 0.00 C ATOM 1097 C ALA B 21 8.774 -18.681 12.047 1.00 0.00 C ATOM 1098 O ALA B 21 8.028 -18.049 11.325 1.00 0.00 O ATOM 1099 CB ALA B 21 8.482 -20.239 14.000 1.00 0.00 C ATOM 0 H ALA B 21 9.923 -21.639 12.696 1.00 0.00 H new ATOM 0 HA ALA B 21 7.459 -20.349 12.077 1.00 0.00 H new ATOM 0 HB1 ALA B 21 7.731 -19.582 14.438 1.00 0.00 H new ATOM 0 HB2 ALA B 21 8.273 -21.270 14.284 1.00 0.00 H new ATOM 0 HB3 ALA B 21 9.469 -19.955 14.365 1.00 0.00 H new ATOM 1105 N LEU B 22 9.897 -18.172 12.475 1.00 0.00 N ATOM 1106 CA LEU B 22 10.287 -16.789 12.081 1.00 0.00 C ATOM 1107 C LEU B 22 10.286 -16.682 10.548 1.00 0.00 C ATOM 1108 O LEU B 22 9.548 -15.909 9.970 1.00 0.00 O ATOM 1109 CB LEU B 22 11.698 -16.610 12.675 1.00 0.00 C ATOM 1110 CG LEU B 22 12.495 -15.555 11.896 1.00 0.00 C ATOM 1111 CD1 LEU B 22 11.705 -14.247 11.851 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.840 -15.319 12.587 1.00 0.00 C ATOM 0 H LEU B 22 10.561 -18.654 13.081 1.00 0.00 H new ATOM 0 HA LEU B 22 9.608 -16.017 12.443 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.621 -16.313 13.721 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.229 -17.562 12.652 1.00 0.00 H new ATOM 0 HG LEU B 22 12.667 -15.908 10.879 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.272 -13.498 11.298 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.748 -14.416 11.357 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.531 -13.892 12.867 1.00 0.00 H new ATOM 0 HD21 LEU B 22 14.407 -14.570 12.034 1.00 0.00 H new ATOM 0 HD22 LEU B 22 13.670 -14.967 13.604 1.00 0.00 H new ATOM 0 HD23 LEU B 22 14.403 -16.252 12.615 1.00 0.00 H new ATOM 1124 N GLN B 23 11.107 -17.458 9.894 1.00 0.00 N ATOM 1125 CA GLN B 23 11.158 -17.413 8.402 1.00 0.00 C ATOM 1126 C GLN B 23 9.743 -17.500 7.818 1.00 0.00 C ATOM 1127 O GLN B 23 9.397 -16.786 6.897 1.00 0.00 O ATOM 1128 CB GLN B 23 11.982 -18.640 8.001 1.00 0.00 C ATOM 1129 CG GLN B 23 12.007 -18.763 6.476 1.00 0.00 C ATOM 1130 CD GLN B 23 13.219 -19.595 6.049 1.00 0.00 C ATOM 1131 OE1 GLN B 23 13.398 -20.706 6.505 1.00 0.00 O ATOM 1132 NE2 GLN B 23 14.063 -19.098 5.187 1.00 0.00 N ATOM 0 H GLN B 23 11.747 -18.123 10.328 1.00 0.00 H new ATOM 0 HA GLN B 23 11.595 -16.486 8.030 1.00 0.00 H new ATOM 0 HB2 GLN B 23 12.998 -18.550 8.386 1.00 0.00 H new ATOM 0 HB3 GLN B 23 11.552 -19.540 8.442 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.088 -19.232 6.124 1.00 0.00 H new ATOM 0 HG3 GLN B 23 12.054 -17.773 6.022 1.00 0.00 H new ATOM 0 HE21 GLN B 23 13.911 -18.165 4.805 1.00 0.00 H new ATOM 0 HE22 GLN B 23 14.874 -19.643 4.895 1.00 0.00 H new ATOM 1141 N GLN B 24 8.923 -18.364 8.350 1.00 0.00 N ATOM 1142 CA GLN B 24 7.532 -18.489 7.828 1.00 0.00 C ATOM 1143 C GLN B 24 6.746 -17.212 8.133 1.00 0.00 C ATOM 1144 O GLN B 24 5.887 -16.805 7.376 1.00 0.00 O ATOM 1145 CB GLN B 24 6.933 -19.681 8.575 1.00 0.00 C ATOM 1146 CG GLN B 24 5.549 -19.997 8.005 1.00 0.00 C ATOM 1147 CD GLN B 24 5.693 -20.533 6.580 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.969 -21.700 6.382 1.00 0.00 O ATOM 1149 NE2 GLN B 24 5.517 -19.724 5.571 1.00 0.00 N ATOM 0 H GLN B 24 9.155 -18.988 9.123 1.00 0.00 H new ATOM 0 HA GLN B 24 7.503 -18.633 6.748 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.585 -20.549 8.478 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.857 -19.456 9.639 1.00 0.00 H new ATOM 0 HG2 GLN B 24 5.045 -20.733 8.632 1.00 0.00 H new ATOM 0 HG3 GLN B 24 4.930 -19.100 8.006 1.00 0.00 H new ATOM 0 HE21 GLN B 24 5.285 -18.745 5.737 1.00 0.00 H new ATOM 0 HE22 GLN B 24 5.611 -20.071 4.617 1.00 0.00 H new ATOM 1158 N LYS B 25 7.036 -16.576 9.235 1.00 0.00 N ATOM 1159 CA LYS B 25 6.309 -15.324 9.587 1.00 0.00 C ATOM 1160 C LYS B 25 6.764 -14.179 8.679 1.00 0.00 C ATOM 1161 O LYS B 25 5.960 -13.463 8.116 1.00 0.00 O ATOM 1162 CB LYS B 25 6.690 -15.040 11.042 1.00 0.00 C ATOM 1163 CG LYS B 25 5.463 -15.222 11.936 1.00 0.00 C ATOM 1164 CD LYS B 25 5.418 -16.660 12.456 1.00 0.00 C ATOM 1165 CE LYS B 25 4.429 -16.753 13.620 1.00 0.00 C ATOM 1166 NZ LYS B 25 4.032 -18.188 13.672 1.00 0.00 N ATOM 0 H LYS B 25 7.745 -16.870 9.907 1.00 0.00 H new ATOM 0 HA LYS B 25 5.231 -15.421 9.461 1.00 0.00 H new ATOM 0 HB2 LYS B 25 7.487 -15.713 11.358 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.075 -14.025 11.137 1.00 0.00 H new ATOM 0 HG2 LYS B 25 5.502 -14.523 12.772 1.00 0.00 H new ATOM 0 HG3 LYS B 25 4.555 -14.998 11.376 1.00 0.00 H new ATOM 0 HD2 LYS B 25 5.119 -17.338 11.656 1.00 0.00 H new ATOM 0 HD3 LYS B 25 6.410 -16.971 12.783 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.889 -16.436 14.556 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.565 -16.110 13.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 3.353 -18.333 14.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 3.591 -18.459 12.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 4.874 -18.776 13.836 1.00 0.00 H new ATOM 1180 N ILE B 26 8.049 -14.004 8.528 1.00 0.00 N ATOM 1181 CA ILE B 26 8.553 -12.908 7.653 1.00 0.00 C ATOM 1182 C ILE B 26 7.931 -13.026 6.259 1.00 0.00 C ATOM 1183 O ILE B 26 7.338 -12.094 5.753 1.00 0.00 O ATOM 1184 CB ILE B 26 10.066 -13.117 7.585 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.670 -12.918 8.978 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.682 -12.106 6.617 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.084 -13.500 9.008 1.00 0.00 C ATOM 0 H ILE B 26 8.770 -14.572 8.972 1.00 0.00 H new ATOM 0 HA ILE B 26 8.298 -11.920 8.036 1.00 0.00 H new ATOM 0 HB ILE B 26 10.276 -14.128 7.235 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.697 -11.857 9.226 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.048 -13.406 9.729 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.760 -12.257 6.571 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.253 -12.244 5.625 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.472 -11.095 6.965 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.515 -13.359 9.999 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.044 -14.565 8.778 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.702 -12.992 8.268 1.00 0.00 H new ATOM 1199 N HIS B 27 8.059 -14.165 5.637 1.00 0.00 N ATOM 1200 CA HIS B 27 7.472 -14.342 4.279 1.00 0.00 C ATOM 1201 C HIS B 27 5.953 -14.159 4.337 1.00 0.00 C ATOM 1202 O HIS B 27 5.319 -13.835 3.351 1.00 0.00 O ATOM 1203 CB HIS B 27 7.825 -15.774 3.876 1.00 0.00 C ATOM 1204 CG HIS B 27 9.198 -15.798 3.263 1.00 0.00 C ATOM 1205 ND1 HIS B 27 10.087 -14.744 3.399 1.00 0.00 N ATOM 1206 CD2 HIS B 27 9.849 -16.742 2.508 1.00 0.00 C ATOM 1207 CE1 HIS B 27 11.213 -15.075 2.741 1.00 0.00 C ATOM 1208 NE2 HIS B 27 11.121 -16.284 2.179 1.00 0.00 N ATOM 0 H HIS B 27 8.545 -14.981 6.010 1.00 0.00 H new ATOM 0 HA HIS B 27 7.855 -13.614 3.564 1.00 0.00 H new ATOM 0 HB2 HIS B 27 7.793 -16.427 4.748 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.091 -16.155 3.166 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.436 -17.696 2.214 1.00 0.00 H new ATOM 0 HE1 HIS B 27 12.085 -14.441 2.675 1.00 0.00 H new ATOM 0 HE2 HIS B 27 11.830 -16.767 1.628 1.00 0.00 H new ATOM 1216 N GLU B 28 5.366 -14.362 5.484 1.00 0.00 N ATOM 1217 CA GLU B 28 3.889 -14.199 5.606 1.00 0.00 C ATOM 1218 C GLU B 28 3.531 -12.716 5.741 1.00 0.00 C ATOM 1219 O GLU B 28 2.675 -12.208 5.044 1.00 0.00 O ATOM 1220 CB GLU B 28 3.510 -14.959 6.877 1.00 0.00 C ATOM 1221 CG GLU B 28 2.789 -16.255 6.502 1.00 0.00 C ATOM 1222 CD GLU B 28 1.390 -15.928 5.975 1.00 0.00 C ATOM 1223 OE1 GLU B 28 0.644 -15.284 6.694 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.090 -16.327 4.862 1.00 0.00 O ATOM 0 H GLU B 28 5.845 -14.634 6.343 1.00 0.00 H new ATOM 0 HA GLU B 28 3.358 -14.576 4.732 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.404 -15.183 7.459 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.867 -14.341 7.504 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.358 -16.794 5.744 1.00 0.00 H new ATOM 0 HG3 GLU B 28 2.718 -16.909 7.371 1.00 0.00 H new ATOM 1231 N LEU B 29 4.179 -12.018 6.634 1.00 0.00 N ATOM 1232 CA LEU B 29 3.876 -10.570 6.813 1.00 0.00 C ATOM 1233 C LEU B 29 4.160 -9.808 5.515 1.00 0.00 C ATOM 1234 O LEU B 29 3.379 -8.982 5.085 1.00 0.00 O ATOM 1235 CB LEU B 29 4.813 -10.103 7.926 1.00 0.00 C ATOM 1236 CG LEU B 29 4.113 -10.249 9.278 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.238 -11.693 9.765 1.00 0.00 C ATOM 1238 CD2 LEU B 29 4.769 -9.311 10.293 1.00 0.00 C ATOM 0 H LEU B 29 4.905 -12.388 7.247 1.00 0.00 H new ATOM 0 HA LEU B 29 2.830 -10.394 7.063 1.00 0.00 H new ATOM 0 HB2 LEU B 29 5.730 -10.692 7.914 1.00 0.00 H new ATOM 0 HB3 LEU B 29 5.099 -9.064 7.763 1.00 0.00 H new ATOM 0 HG LEU B 29 3.059 -9.992 9.171 1.00 0.00 H new ATOM 0 HD11 LEU B 29 3.739 -11.797 10.729 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.773 -12.363 9.042 1.00 0.00 H new ATOM 0 HD13 LEU B 29 5.292 -11.951 9.873 1.00 0.00 H new ATOM 0 HD21 LEU B 29 4.272 -9.413 11.257 1.00 0.00 H new ATOM 0 HD22 LEU B 29 5.823 -9.569 10.399 1.00 0.00 H new ATOM 0 HD23 LEU B 29 4.681 -8.281 9.947 1.00 0.00 H new ATOM 1250 N GLU B 30 5.271 -10.081 4.888 1.00 0.00 N ATOM 1251 CA GLU B 30 5.603 -9.372 3.619 1.00 0.00 C ATOM 1252 C GLU B 30 4.461 -9.534 2.612 1.00 0.00 C ATOM 1253 O GLU B 30 4.033 -8.586 1.986 1.00 0.00 O ATOM 1254 CB GLU B 30 6.872 -10.051 3.106 1.00 0.00 C ATOM 1255 CG GLU B 30 7.782 -9.010 2.452 1.00 0.00 C ATOM 1256 CD GLU B 30 8.624 -9.677 1.363 1.00 0.00 C ATOM 1257 OE1 GLU B 30 9.535 -10.409 1.712 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.343 -9.443 0.199 1.00 0.00 O ATOM 0 H GLU B 30 5.963 -10.763 5.199 1.00 0.00 H new ATOM 0 HA GLU B 30 5.747 -8.302 3.768 1.00 0.00 H new ATOM 0 HB2 GLU B 30 7.394 -10.539 3.929 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.615 -10.828 2.386 1.00 0.00 H new ATOM 0 HG2 GLU B 30 7.183 -8.207 2.022 1.00 0.00 H new ATOM 0 HG3 GLU B 30 8.431 -8.557 3.202 1.00 0.00 H new ATOM 1265 N GLY B 31 3.966 -10.731 2.452 1.00 0.00 N ATOM 1266 CA GLY B 31 2.852 -10.953 1.488 1.00 0.00 C ATOM 1267 C GLY B 31 1.585 -10.273 2.008 1.00 0.00 C ATOM 1268 O GLY B 31 0.748 -9.832 1.246 1.00 0.00 O ATOM 0 H GLY B 31 4.285 -11.564 2.947 1.00 0.00 H new ATOM 0 HA2 GLY B 31 3.118 -10.552 0.510 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.677 -12.021 1.358 1.00 0.00 H new ATOM 1272 N LEU B 32 1.438 -10.184 3.302 1.00 0.00 N ATOM 1273 CA LEU B 32 0.224 -9.531 3.870 1.00 0.00 C ATOM 1274 C LEU B 32 0.247 -8.029 3.574 1.00 0.00 C ATOM 1275 O LEU B 32 -0.781 -7.383 3.513 1.00 0.00 O ATOM 1276 CB LEU B 32 0.307 -9.783 5.376 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.088 -9.661 5.993 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -1.912 -10.900 5.641 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -0.963 -9.547 7.514 1.00 0.00 C ATOM 0 H LEU B 32 2.105 -10.535 3.990 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.698 -9.925 3.442 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.715 -10.776 5.567 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.985 -9.065 5.839 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.583 -8.773 5.600 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.906 -10.813 6.081 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.000 -10.983 4.558 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.418 -11.789 6.033 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -1.956 -9.460 7.955 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.468 -10.436 7.906 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -0.376 -8.664 7.766 1.00 0.00 H new ATOM 1291 N MET B 33 1.411 -7.469 3.391 1.00 0.00 N ATOM 1292 CA MET B 33 1.498 -6.009 3.099 1.00 0.00 C ATOM 1293 C MET B 33 0.809 -5.697 1.768 1.00 0.00 C ATOM 1294 O MET B 33 -0.142 -4.941 1.712 1.00 0.00 O ATOM 1295 CB MET B 33 2.996 -5.710 3.010 1.00 0.00 C ATOM 1296 CG MET B 33 3.388 -4.732 4.118 1.00 0.00 C ATOM 1297 SD MET B 33 4.935 -5.274 4.884 1.00 0.00 S ATOM 1298 CE MET B 33 6.058 -4.346 3.812 1.00 0.00 C ATOM 0 H MET B 33 2.305 -7.958 3.431 1.00 0.00 H new ATOM 0 HA MET B 33 1.007 -5.405 3.862 1.00 0.00 H new ATOM 0 HB2 MET B 33 3.568 -6.633 3.106 1.00 0.00 H new ATOM 0 HB3 MET B 33 3.236 -5.286 2.035 1.00 0.00 H new ATOM 0 HG2 MET B 33 3.505 -3.729 3.707 1.00 0.00 H new ATOM 0 HG3 MET B 33 2.598 -4.679 4.867 1.00 0.00 H new ATOM 0 HE1 MET B 33 6.959 -4.933 3.633 1.00 0.00 H new ATOM 0 HE2 MET B 33 5.566 -4.139 2.862 1.00 0.00 H new ATOM 0 HE3 MET B 33 6.327 -3.406 4.294 1.00 0.00 H new ATOM 1308 N MET B 34 1.280 -6.273 0.697 1.00 0.00 N ATOM 1309 CA MET B 34 0.651 -6.010 -0.630 1.00 0.00 C ATOM 1310 C MET B 34 -0.813 -6.456 -0.617 1.00 0.00 C ATOM 1311 O MET B 34 -1.650 -5.892 -1.291 1.00 0.00 O ATOM 1312 CB MET B 34 1.457 -6.849 -1.622 1.00 0.00 C ATOM 1313 CG MET B 34 1.193 -6.351 -3.044 1.00 0.00 C ATOM 1314 SD MET B 34 1.871 -4.684 -3.237 1.00 0.00 S ATOM 1315 CE MET B 34 3.589 -5.091 -2.843 1.00 0.00 C ATOM 0 H MET B 34 2.073 -6.914 0.682 1.00 0.00 H new ATOM 0 HA MET B 34 0.659 -4.951 -0.889 1.00 0.00 H new ATOM 0 HB2 MET B 34 2.520 -6.780 -1.393 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.179 -7.900 -1.536 1.00 0.00 H new ATOM 0 HG2 MET B 34 1.649 -7.026 -3.768 1.00 0.00 H new ATOM 0 HG3 MET B 34 0.122 -6.345 -3.245 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.252 -4.597 -3.553 1.00 0.00 H new ATOM 0 HE2 MET B 34 3.821 -4.751 -1.834 1.00 0.00 H new ATOM 0 HE3 MET B 34 3.731 -6.170 -2.904 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.127 -7.468 0.147 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.537 -7.953 0.205 1.00 0.00 C ATOM 1327 C GLN B 35 -3.491 -6.787 0.487 1.00 0.00 C ATOM 1328 O GLN B 35 -4.167 -6.298 -0.398 1.00 0.00 O ATOM 1329 CB GLN B 35 -2.560 -8.961 1.357 1.00 0.00 C ATOM 1330 CG GLN B 35 -3.993 -9.443 1.594 1.00 0.00 C ATOM 1331 CD GLN B 35 -4.120 -10.901 1.153 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -4.941 -11.227 0.317 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -3.339 -11.802 1.683 1.00 0.00 N ATOM 0 H GLN B 35 -0.468 -7.980 0.734 1.00 0.00 H new ATOM 0 HA GLN B 35 -2.859 -8.401 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -1.915 -9.808 1.124 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.167 -8.501 2.263 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -4.250 -9.347 2.649 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -4.694 -8.821 1.037 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -2.650 -11.531 2.384 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -3.418 -12.778 1.396 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.552 -6.335 1.709 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.462 -5.201 2.040 1.00 0.00 C ATOM 1344 C HIS B 36 -4.167 -4.006 1.126 1.00 0.00 C ATOM 1345 O HIS B 36 -5.064 -3.400 0.573 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.156 -4.861 3.498 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.919 -5.792 4.399 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -4.348 -6.363 5.526 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -6.208 -6.264 4.352 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -5.284 -7.139 6.106 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -6.435 -7.114 5.430 1.00 0.00 N ATOM 0 H HIS B 36 -3.012 -6.701 2.493 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.513 -5.454 1.898 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.086 -4.950 3.687 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.432 -3.827 3.707 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -6.935 -6.013 3.594 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -5.123 -7.711 7.008 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -7.296 -7.612 5.655 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.916 -3.666 0.956 1.00 0.00 N ATOM 1360 CA ALA B 37 -2.564 -2.516 0.070 1.00 0.00 C ATOM 1361 C ALA B 37 -3.234 -2.689 -1.298 1.00 0.00 C ATOM 1362 O ALA B 37 -3.747 -1.749 -1.871 1.00 0.00 O ATOM 1363 CB ALA B 37 -1.041 -2.575 -0.068 1.00 0.00 C ATOM 0 H ALA B 37 -2.122 -4.135 1.392 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.899 -1.560 0.474 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -0.702 -1.760 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -0.583 -2.480 0.916 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.753 -3.528 -0.512 1.00 0.00 H new ATOM 1369 N GLN B 38 -3.240 -3.888 -1.819 1.00 0.00 N ATOM 1370 CA GLN B 38 -3.886 -4.123 -3.142 1.00 0.00 C ATOM 1371 C GLN B 38 -5.350 -3.691 -3.075 1.00 0.00 C ATOM 1372 O GLN B 38 -5.895 -3.155 -4.020 1.00 0.00 O ATOM 1373 CB GLN B 38 -3.778 -5.630 -3.380 1.00 0.00 C ATOM 1374 CG GLN B 38 -2.733 -5.904 -4.464 1.00 0.00 C ATOM 1375 CD GLN B 38 -3.340 -6.800 -5.544 1.00 0.00 C ATOM 1376 OE1 GLN B 38 -4.319 -7.480 -5.307 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -2.797 -6.831 -6.730 1.00 0.00 N ATOM 0 H GLN B 38 -2.826 -4.713 -1.385 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.415 -3.558 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.499 -6.135 -2.455 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.745 -6.031 -3.683 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.395 -4.966 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.858 -6.385 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -1.975 -6.261 -6.930 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.194 -7.426 -7.457 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.984 -3.904 -1.954 1.00 0.00 N ATOM 1387 CA ASN B 39 -7.408 -3.489 -1.811 1.00 0.00 C ATOM 1388 C ASN B 39 -7.477 -2.068 -1.238 1.00 0.00 C ATOM 1389 O ASN B 39 -8.493 -1.645 -0.724 1.00 0.00 O ATOM 1390 CB ASN B 39 -8.019 -4.494 -0.835 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.940 -5.901 -1.431 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -8.862 -6.349 -2.084 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -6.869 -6.620 -1.235 1.00 0.00 N ATOM 0 H ASN B 39 -5.577 -4.348 -1.131 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.939 -3.479 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -7.488 -4.461 0.117 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -9.057 -4.233 -0.630 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -6.805 -7.558 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -6.095 -6.244 -0.687 1.00 0.00 H new ATOM 1400 N LEU B 40 -6.398 -1.334 -1.322 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.383 0.057 -0.788 1.00 0.00 C ATOM 1402 C LEU B 40 -6.798 0.075 0.685 1.00 0.00 C ATOM 1403 O LEU B 40 -7.254 1.077 1.198 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.385 0.830 -1.647 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.744 1.172 -2.992 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.816 -0.046 -3.915 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.496 2.341 -3.633 1.00 0.00 C ATOM 0 H LEU B 40 -5.521 -1.643 -1.741 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.388 0.500 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -8.284 0.234 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.692 1.742 -1.135 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.702 1.451 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.359 0.197 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.282 -0.880 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.858 -0.324 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.039 2.585 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.538 2.062 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.447 3.209 -2.976 1.00 0.00 H new ATOM 1419 N GLU B 41 -6.624 -1.018 1.372 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.990 -1.050 2.817 1.00 0.00 C ATOM 1421 C GLU B 41 -6.038 -0.139 3.593 1.00 0.00 C ATOM 1422 O GLU B 41 -6.446 0.643 4.429 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.814 -2.508 3.242 1.00 0.00 C ATOM 1424 CG GLU B 41 -7.997 -3.334 2.735 1.00 0.00 C ATOM 1425 CD GLU B 41 -8.938 -3.650 3.901 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -9.803 -2.835 4.175 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -8.777 -4.702 4.497 1.00 0.00 O ATOM 0 H GLU B 41 -6.246 -1.889 0.999 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.006 -0.702 3.007 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -5.881 -2.905 2.841 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.748 -2.576 4.328 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.532 -2.784 1.961 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.640 -4.259 2.281 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.769 -0.230 3.304 1.00 0.00 N ATOM 1435 CA PHE B 42 -3.768 0.630 3.996 1.00 0.00 C ATOM 1436 C PHE B 42 -3.958 0.582 5.510 1.00 0.00 C ATOM 1437 O PHE B 42 -4.792 -0.139 6.013 1.00 0.00 O ATOM 1438 CB PHE B 42 -4.024 2.039 3.463 1.00 0.00 C ATOM 1439 CG PHE B 42 -3.326 2.202 2.136 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -1.970 1.828 2.003 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -4.027 2.727 1.027 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -1.314 1.980 0.762 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.369 2.879 -0.215 1.00 0.00 C ATOM 1444 CZ PHE B 42 -2.014 2.505 -0.347 1.00 0.00 C ATOM 0 H PHE B 42 -4.379 -0.870 2.611 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.747 0.298 3.807 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -5.095 2.208 3.347 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -3.659 2.781 4.173 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -1.435 1.426 2.851 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -5.064 3.012 1.128 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -0.277 1.695 0.661 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.903 3.281 -1.063 1.00 0.00 H new ATOM 0 HZ PHE B 42 -1.512 2.620 -1.296 1.00 0.00 H new ATOM 1454 N GLU B 43 -3.154 1.336 6.224 1.00 0.00 N ATOM 1455 CA GLU B 43 -3.199 1.370 7.718 1.00 0.00 C ATOM 1456 C GLU B 43 -2.772 0.013 8.260 1.00 0.00 C ATOM 1457 O GLU B 43 -1.769 -0.119 8.931 1.00 0.00 O ATOM 1458 CB GLU B 43 -4.646 1.694 8.112 1.00 0.00 C ATOM 1459 CG GLU B 43 -4.773 1.643 9.634 1.00 0.00 C ATOM 1460 CD GLU B 43 -6.250 1.688 10.028 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -6.856 0.632 10.098 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -6.750 2.778 10.252 1.00 0.00 O ATOM 0 H GLU B 43 -2.447 1.948 5.817 1.00 0.00 H new ATOM 0 HA GLU B 43 -2.524 2.120 8.130 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -4.924 2.682 7.744 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -5.330 0.980 7.653 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -4.312 0.733 10.017 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -4.241 2.483 10.082 1.00 0.00 H new ATOM 1469 N GLU B 44 -3.515 -0.993 7.945 1.00 0.00 N ATOM 1470 CA GLU B 44 -3.165 -2.365 8.401 1.00 0.00 C ATOM 1471 C GLU B 44 -2.120 -2.974 7.459 1.00 0.00 C ATOM 1472 O GLU B 44 -1.301 -3.778 7.858 1.00 0.00 O ATOM 1473 CB GLU B 44 -4.478 -3.155 8.348 1.00 0.00 C ATOM 1474 CG GLU B 44 -4.959 -3.276 6.899 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.170 -4.207 6.843 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -6.211 -5.141 7.627 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.037 -3.970 6.019 1.00 0.00 O ATOM 0 H GLU B 44 -4.364 -0.931 7.383 1.00 0.00 H new ATOM 0 HA GLU B 44 -2.735 -2.375 9.403 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -4.332 -4.147 8.775 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -5.237 -2.656 8.951 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -5.223 -2.293 6.509 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -4.158 -3.664 6.269 1.00 0.00 H new ATOM 1484 N ALA B 45 -2.153 -2.603 6.204 1.00 0.00 N ATOM 1485 CA ALA B 45 -1.175 -3.167 5.230 1.00 0.00 C ATOM 1486 C ALA B 45 0.175 -2.451 5.324 1.00 0.00 C ATOM 1487 O ALA B 45 1.218 -3.072 5.316 1.00 0.00 O ATOM 1488 CB ALA B 45 -1.804 -2.924 3.859 1.00 0.00 C ATOM 0 H ALA B 45 -2.816 -1.933 5.813 1.00 0.00 H new ATOM 0 HA ALA B 45 -0.980 -4.222 5.422 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.145 -3.311 3.082 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -2.766 -3.433 3.805 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -1.950 -1.854 3.710 1.00 0.00 H new ATOM 1494 N ALA B 46 0.165 -1.149 5.391 1.00 0.00 N ATOM 1495 CA ALA B 46 1.453 -0.400 5.459 1.00 0.00 C ATOM 1496 C ALA B 46 2.056 -0.468 6.865 1.00 0.00 C ATOM 1497 O ALA B 46 3.236 -0.245 7.049 1.00 0.00 O ATOM 1498 CB ALA B 46 1.095 1.038 5.086 1.00 0.00 C ATOM 0 H ALA B 46 -0.676 -0.572 5.402 1.00 0.00 H new ATOM 0 HA ALA B 46 2.203 -0.820 4.789 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.993 1.655 5.113 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.671 1.059 4.082 1.00 0.00 H new ATOM 0 HB3 ALA B 46 0.366 1.427 5.796 1.00 0.00 H new ATOM 1504 N GLN B 47 1.270 -0.777 7.860 1.00 0.00 N ATOM 1505 CA GLN B 47 1.830 -0.858 9.240 1.00 0.00 C ATOM 1506 C GLN B 47 2.736 -2.084 9.367 1.00 0.00 C ATOM 1507 O GLN B 47 3.751 -2.051 10.034 1.00 0.00 O ATOM 1508 CB GLN B 47 0.622 -0.990 10.164 1.00 0.00 C ATOM 1509 CG GLN B 47 0.200 0.395 10.657 1.00 0.00 C ATOM 1510 CD GLN B 47 1.324 1.003 11.497 1.00 0.00 C ATOM 1511 OE1 GLN B 47 2.052 1.857 11.031 1.00 0.00 O ATOM 1512 NE2 GLN B 47 1.497 0.598 12.725 1.00 0.00 N ATOM 0 H GLN B 47 0.273 -0.975 7.779 1.00 0.00 H new ATOM 0 HA GLN B 47 2.432 0.016 9.488 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -0.203 -1.466 9.634 1.00 0.00 H new ATOM 0 HB3 GLN B 47 0.868 -1.630 11.012 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -0.025 1.042 9.809 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.711 0.319 11.250 1.00 0.00 H new ATOM 0 HE21 GLN B 47 0.886 -0.119 13.116 1.00 0.00 H new ATOM 0 HE22 GLN B 47 2.243 0.998 13.294 1.00 0.00 H new ATOM 1521 N ILE B 48 2.380 -3.168 8.728 1.00 0.00 N ATOM 1522 CA ILE B 48 3.226 -4.396 8.809 1.00 0.00 C ATOM 1523 C ILE B 48 4.679 -4.050 8.475 1.00 0.00 C ATOM 1524 O ILE B 48 5.604 -4.675 8.953 1.00 0.00 O ATOM 1525 CB ILE B 48 2.644 -5.351 7.767 1.00 0.00 C ATOM 1526 CG1 ILE B 48 1.222 -5.744 8.176 1.00 0.00 C ATOM 1527 CG2 ILE B 48 3.512 -6.606 7.680 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.460 -6.254 6.952 1.00 0.00 C ATOM 0 H ILE B 48 1.541 -3.256 8.154 1.00 0.00 H new ATOM 0 HA ILE B 48 3.224 -4.838 9.805 1.00 0.00 H new ATOM 0 HB ILE B 48 2.622 -4.857 6.795 1.00 0.00 H new ATOM 0 HG12 ILE B 48 1.254 -6.516 8.945 1.00 0.00 H new ATOM 0 HG13 ILE B 48 0.706 -4.886 8.607 1.00 0.00 H new ATOM 0 HG21 ILE B 48 3.095 -7.286 6.937 1.00 0.00 H new ATOM 0 HG22 ILE B 48 4.525 -6.328 7.390 1.00 0.00 H new ATOM 0 HG23 ILE B 48 3.535 -7.100 8.651 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.552 -6.534 7.244 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.416 -5.469 6.197 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.972 -7.124 6.541 1.00 0.00 H new ATOM 1540 N ARG B 49 4.882 -3.045 7.667 1.00 0.00 N ATOM 1541 CA ARG B 49 6.271 -2.641 7.309 1.00 0.00 C ATOM 1542 C ARG B 49 7.077 -2.402 8.594 1.00 0.00 C ATOM 1543 O ARG B 49 8.288 -2.501 8.606 1.00 0.00 O ATOM 1544 CB ARG B 49 6.094 -1.348 6.497 1.00 0.00 C ATOM 1545 CG ARG B 49 7.415 -0.575 6.403 1.00 0.00 C ATOM 1546 CD ARG B 49 7.262 0.782 7.099 1.00 0.00 C ATOM 1547 NE ARG B 49 6.809 0.463 8.484 1.00 0.00 N ATOM 1548 CZ ARG B 49 7.576 0.751 9.500 1.00 0.00 C ATOM 1549 NH1 ARG B 49 8.859 0.528 9.433 1.00 0.00 N ATOM 1550 NH2 ARG B 49 7.058 1.262 10.584 1.00 0.00 N ATOM 0 H ARG B 49 4.144 -2.486 7.239 1.00 0.00 H new ATOM 0 HA ARG B 49 6.814 -3.395 6.739 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.737 -1.589 5.496 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.334 -0.722 6.964 1.00 0.00 H new ATOM 0 HG2 ARG B 49 8.217 -1.147 6.869 1.00 0.00 H new ATOM 0 HG3 ARG B 49 7.691 -0.431 5.358 1.00 0.00 H new ATOM 0 HD2 ARG B 49 8.205 1.328 7.109 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.536 1.410 6.582 1.00 0.00 H new ATOM 0 HE ARG B 49 5.902 0.021 8.637 1.00 0.00 H new ATOM 0 HH11 ARG B 49 9.264 0.128 8.586 1.00 0.00 H new ATOM 0 HH12 ARG B 49 9.458 0.753 10.227 1.00 0.00 H new ATOM 0 HH21 ARG B 49 6.054 1.436 10.637 1.00 0.00 H new ATOM 0 HH22 ARG B 49 7.657 1.487 11.378 1.00 0.00 H new ATOM 1564 N ASP B 50 6.410 -2.098 9.674 1.00 0.00 N ATOM 1565 CA ASP B 50 7.132 -1.865 10.955 1.00 0.00 C ATOM 1566 C ASP B 50 7.512 -3.204 11.591 1.00 0.00 C ATOM 1567 O ASP B 50 8.528 -3.328 12.244 1.00 0.00 O ATOM 1568 CB ASP B 50 6.140 -1.110 11.840 1.00 0.00 C ATOM 1569 CG ASP B 50 6.904 -0.292 12.883 1.00 0.00 C ATOM 1570 OD1 ASP B 50 8.050 -0.622 13.142 1.00 0.00 O ATOM 1571 OD2 ASP B 50 6.330 0.649 13.405 1.00 0.00 O ATOM 0 H ASP B 50 5.396 -2.001 9.724 1.00 0.00 H new ATOM 0 HA ASP B 50 8.056 -1.304 10.815 1.00 0.00 H new ATOM 0 HB2 ASP B 50 5.520 -0.453 11.230 1.00 0.00 H new ATOM 0 HB3 ASP B 50 5.469 -1.813 12.334 1.00 0.00 H new ATOM 1576 N GLN B 51 6.701 -4.210 11.400 1.00 0.00 N ATOM 1577 CA GLN B 51 7.015 -5.542 11.990 1.00 0.00 C ATOM 1578 C GLN B 51 8.044 -6.269 11.121 1.00 0.00 C ATOM 1579 O GLN B 51 9.015 -6.810 11.612 1.00 0.00 O ATOM 1580 CB GLN B 51 5.686 -6.299 11.994 1.00 0.00 C ATOM 1581 CG GLN B 51 4.635 -5.483 12.750 1.00 0.00 C ATOM 1582 CD GLN B 51 3.258 -6.121 12.558 1.00 0.00 C ATOM 1583 OE1 GLN B 51 2.304 -5.447 12.224 1.00 0.00 O ATOM 1584 NE2 GLN B 51 3.114 -7.402 12.756 1.00 0.00 N ATOM 0 H GLN B 51 5.836 -4.166 10.861 1.00 0.00 H new ATOM 0 HA GLN B 51 7.439 -5.463 12.991 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.355 -6.479 10.971 1.00 0.00 H new ATOM 0 HB3 GLN B 51 5.812 -7.274 12.465 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.884 -5.443 13.810 1.00 0.00 H new ATOM 0 HG3 GLN B 51 4.626 -4.456 12.386 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.915 -7.968 13.036 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.200 -7.838 12.630 1.00 0.00 H new ATOM 1593 N LEU B 52 7.841 -6.283 9.831 1.00 0.00 N ATOM 1594 CA LEU B 52 8.810 -6.971 8.930 1.00 0.00 C ATOM 1595 C LEU B 52 10.200 -6.349 9.081 1.00 0.00 C ATOM 1596 O LEU B 52 11.204 -7.033 9.039 1.00 0.00 O ATOM 1597 CB LEU B 52 8.267 -6.741 7.518 1.00 0.00 C ATOM 1598 CG LEU B 52 8.636 -7.930 6.627 1.00 0.00 C ATOM 1599 CD1 LEU B 52 10.156 -8.092 6.592 1.00 0.00 C ATOM 1600 CD2 LEU B 52 8.000 -9.204 7.190 1.00 0.00 C ATOM 0 H LEU B 52 7.046 -5.848 9.362 1.00 0.00 H new ATOM 0 HA LEU B 52 8.910 -8.032 9.159 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.184 -6.619 7.549 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.680 -5.821 7.104 1.00 0.00 H new ATOM 0 HG LEU B 52 8.268 -7.754 5.616 1.00 0.00 H new ATOM 0 HD11 LEU B 52 10.417 -8.939 5.957 1.00 0.00 H new ATOM 0 HD12 LEU B 52 10.609 -7.185 6.192 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.527 -8.268 7.602 1.00 0.00 H new ATOM 0 HD21 LEU B 52 8.262 -10.052 6.557 1.00 0.00 H new ATOM 0 HD22 LEU B 52 8.369 -9.379 8.201 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.916 -9.090 7.214 1.00 0.00 H new ATOM 1612 N HIS B 53 10.266 -5.058 9.258 1.00 0.00 N ATOM 1613 CA HIS B 53 11.592 -4.393 9.414 1.00 0.00 C ATOM 1614 C HIS B 53 12.365 -5.028 10.573 1.00 0.00 C ATOM 1615 O HIS B 53 13.503 -5.426 10.429 1.00 0.00 O ATOM 1616 CB HIS B 53 11.268 -2.931 9.721 1.00 0.00 C ATOM 1617 CG HIS B 53 12.484 -2.084 9.466 1.00 0.00 C ATOM 1618 ND1 HIS B 53 13.643 -2.210 10.217 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.736 -1.094 8.550 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.532 -1.318 9.741 1.00 0.00 C ATOM 1621 NE2 HIS B 53 14.030 -0.611 8.725 1.00 0.00 N ATOM 0 H HIS B 53 9.460 -4.435 9.301 1.00 0.00 H new ATOM 0 HA HIS B 53 12.214 -4.493 8.524 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.439 -2.593 9.099 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.951 -2.828 10.759 1.00 0.00 H new ATOM 0 HD2 HIS B 53 12.036 -0.743 7.806 1.00 0.00 H new ATOM 0 HE1 HIS B 53 15.530 -1.190 10.133 1.00 0.00 H new ATOM 0 HE2 HIS B 53 14.495 0.124 8.192 1.00 0.00 H new ATOM 1629 N GLN B 54 11.752 -5.128 11.721 1.00 0.00 N ATOM 1630 CA GLN B 54 12.451 -5.739 12.888 1.00 0.00 C ATOM 1631 C GLN B 54 12.537 -7.257 12.713 1.00 0.00 C ATOM 1632 O GLN B 54 13.519 -7.878 13.069 1.00 0.00 O ATOM 1633 CB GLN B 54 11.584 -5.386 14.098 1.00 0.00 C ATOM 1634 CG GLN B 54 12.484 -5.066 15.294 1.00 0.00 C ATOM 1635 CD GLN B 54 12.867 -6.366 16.006 1.00 0.00 C ATOM 1636 OE1 GLN B 54 13.629 -7.155 15.485 1.00 0.00 O ATOM 1637 NE2 GLN B 54 12.368 -6.622 17.184 1.00 0.00 N ATOM 0 H GLN B 54 10.799 -4.814 11.901 1.00 0.00 H new ATOM 0 HA GLN B 54 13.472 -5.373 12.998 1.00 0.00 H new ATOM 0 HB2 GLN B 54 10.950 -4.530 13.867 1.00 0.00 H new ATOM 0 HB3 GLN B 54 10.922 -6.217 14.340 1.00 0.00 H new ATOM 0 HG2 GLN B 54 13.381 -4.544 14.959 1.00 0.00 H new ATOM 0 HG3 GLN B 54 11.967 -4.400 15.984 1.00 0.00 H new ATOM 0 HE21 GLN B 54 11.728 -5.959 17.622 1.00 0.00 H new ATOM 0 HE22 GLN B 54 12.618 -7.485 17.667 1.00 0.00 H new ATOM 1646 N LEU B 55 11.517 -7.859 12.165 1.00 0.00 N ATOM 1647 CA LEU B 55 11.541 -9.336 11.965 1.00 0.00 C ATOM 1648 C LEU B 55 12.639 -9.714 10.968 1.00 0.00 C ATOM 1649 O LEU B 55 13.269 -10.747 11.085 1.00 0.00 O ATOM 1650 CB LEU B 55 10.162 -9.683 11.403 1.00 0.00 C ATOM 1651 CG LEU B 55 9.274 -10.225 12.524 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.804 -10.021 12.155 1.00 0.00 C ATOM 1653 CD2 LEU B 55 9.549 -11.719 12.713 1.00 0.00 C ATOM 0 H LEU B 55 10.668 -7.392 11.847 1.00 0.00 H new ATOM 0 HA LEU B 55 11.750 -9.876 12.889 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.706 -8.798 10.959 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.257 -10.424 10.610 1.00 0.00 H new ATOM 0 HG LEU B 55 9.493 -9.694 13.450 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.171 -10.407 12.954 1.00 0.00 H new ATOM 0 HD12 LEU B 55 7.607 -8.958 12.018 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.584 -10.552 11.229 1.00 0.00 H new ATOM 0 HD21 LEU B 55 8.917 -12.107 13.512 1.00 0.00 H new ATOM 0 HD22 LEU B 55 9.330 -12.249 11.786 1.00 0.00 H new ATOM 0 HD23 LEU B 55 10.597 -11.866 12.976 1.00 0.00 H new ATOM 1665 N ARG B 56 12.875 -8.885 9.988 1.00 0.00 N ATOM 1666 CA ARG B 56 13.934 -9.197 8.985 1.00 0.00 C ATOM 1667 C ARG B 56 15.260 -9.487 9.692 1.00 0.00 C ATOM 1668 O ARG B 56 15.848 -10.537 9.523 1.00 0.00 O ATOM 1669 CB ARG B 56 14.048 -7.937 8.126 1.00 0.00 C ATOM 1670 CG ARG B 56 15.142 -8.132 7.075 1.00 0.00 C ATOM 1671 CD ARG B 56 15.600 -6.768 6.555 1.00 0.00 C ATOM 1672 NE ARG B 56 16.808 -7.055 5.733 1.00 0.00 N ATOM 1673 CZ ARG B 56 16.686 -7.303 4.458 1.00 0.00 C ATOM 1674 NH1 ARG B 56 16.139 -6.417 3.671 1.00 0.00 N ATOM 1675 NH2 ARG B 56 17.111 -8.435 3.970 1.00 0.00 N ATOM 0 H ARG B 56 12.381 -8.005 9.838 1.00 0.00 H new ATOM 0 HA ARG B 56 13.693 -10.077 8.388 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.095 -7.728 7.640 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.281 -7.077 8.753 1.00 0.00 H new ATOM 0 HG2 ARG B 56 15.985 -8.670 7.508 1.00 0.00 H new ATOM 0 HG3 ARG B 56 14.766 -8.739 6.252 1.00 0.00 H new ATOM 0 HD2 ARG B 56 14.822 -6.291 5.960 1.00 0.00 H new ATOM 0 HD3 ARG B 56 15.833 -6.090 7.376 1.00 0.00 H new ATOM 0 HE ARG B 56 17.731 -7.058 6.167 1.00 0.00 H new ATOM 0 HH11 ARG B 56 15.807 -5.531 4.053 1.00 0.00 H new ATOM 0 HH12 ARG B 56 16.043 -6.610 2.674 1.00 0.00 H new ATOM 0 HH21 ARG B 56 17.539 -9.127 4.585 1.00 0.00 H new ATOM 0 HH22 ARG B 56 17.015 -8.629 2.973 1.00 0.00 H new ATOM 1689 N GLU B 57 15.734 -8.566 10.485 1.00 0.00 N ATOM 1690 CA GLU B 57 17.022 -8.791 11.204 1.00 0.00 C ATOM 1691 C GLU B 57 16.911 -10.027 12.099 1.00 0.00 C ATOM 1692 O GLU B 57 17.836 -10.806 12.220 1.00 0.00 O ATOM 1693 CB GLU B 57 17.233 -7.535 12.053 1.00 0.00 C ATOM 1694 CG GLU B 57 17.159 -6.294 11.161 1.00 0.00 C ATOM 1695 CD GLU B 57 17.870 -5.127 11.850 1.00 0.00 C ATOM 1696 OE1 GLU B 57 19.031 -5.283 12.190 1.00 0.00 O ATOM 1697 OE2 GLU B 57 17.240 -4.097 12.025 1.00 0.00 O ATOM 0 H GLU B 57 15.286 -7.668 10.667 1.00 0.00 H new ATOM 0 HA GLU B 57 17.853 -8.961 10.519 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.474 -7.480 12.834 1.00 0.00 H new ATOM 0 HB3 GLU B 57 18.201 -7.579 12.552 1.00 0.00 H new ATOM 0 HG2 GLU B 57 17.624 -6.498 10.196 1.00 0.00 H new ATOM 0 HG3 GLU B 57 16.118 -6.035 10.965 1.00 0.00 H new ATOM 1704 N LEU B 58 15.782 -10.213 12.726 1.00 0.00 N ATOM 1705 CA LEU B 58 15.606 -11.398 13.614 1.00 0.00 C ATOM 1706 C LEU B 58 15.948 -12.683 12.855 1.00 0.00 C ATOM 1707 O LEU B 58 16.275 -13.695 13.443 1.00 0.00 O ATOM 1708 CB LEU B 58 14.127 -11.384 14.005 1.00 0.00 C ATOM 1709 CG LEU B 58 13.998 -11.437 15.529 1.00 0.00 C ATOM 1710 CD1 LEU B 58 13.048 -10.335 16.000 1.00 0.00 C ATOM 1711 CD2 LEU B 58 13.441 -12.801 15.944 1.00 0.00 C ATOM 0 H LEU B 58 14.973 -9.595 12.662 1.00 0.00 H new ATOM 0 HA LEU B 58 16.259 -11.361 14.486 1.00 0.00 H new ATOM 0 HB2 LEU B 58 13.647 -10.484 13.621 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.614 -12.235 13.557 1.00 0.00 H new ATOM 0 HG LEU B 58 14.978 -11.289 15.982 1.00 0.00 H new ATOM 0 HD11 LEU B 58 12.956 -10.373 17.085 1.00 0.00 H new ATOM 0 HD12 LEU B 58 13.442 -9.363 15.703 1.00 0.00 H new ATOM 0 HD13 LEU B 58 12.067 -10.482 15.548 1.00 0.00 H new ATOM 0 HD21 LEU B 58 13.348 -12.841 17.029 1.00 0.00 H new ATOM 0 HD22 LEU B 58 12.461 -12.947 15.490 1.00 0.00 H new ATOM 0 HD23 LEU B 58 14.117 -13.587 15.608 1.00 0.00 H new ATOM 1723 N PHE B 59 15.877 -12.651 11.551 1.00 0.00 N ATOM 1724 CA PHE B 59 16.199 -13.870 10.755 1.00 0.00 C ATOM 1725 C PHE B 59 17.567 -14.425 11.164 1.00 0.00 C ATOM 1726 O PHE B 59 17.698 -15.582 11.513 1.00 0.00 O ATOM 1727 CB PHE B 59 16.225 -13.399 9.301 1.00 0.00 C ATOM 1728 CG PHE B 59 16.146 -14.593 8.382 1.00 0.00 C ATOM 1729 CD1 PHE B 59 14.945 -15.330 8.280 1.00 0.00 C ATOM 1730 CD2 PHE B 59 17.276 -14.977 7.624 1.00 0.00 C ATOM 1731 CE1 PHE B 59 14.872 -16.449 7.420 1.00 0.00 C ATOM 1732 CE2 PHE B 59 17.204 -16.096 6.764 1.00 0.00 C ATOM 1733 CZ PHE B 59 16.001 -16.831 6.663 1.00 0.00 C ATOM 0 H PHE B 59 15.610 -11.833 11.003 1.00 0.00 H new ATOM 0 HA PHE B 59 15.473 -14.668 10.912 1.00 0.00 H new ATOM 0 HB2 PHE B 59 15.390 -12.725 9.111 1.00 0.00 H new ATOM 0 HB3 PHE B 59 17.138 -12.837 9.106 1.00 0.00 H new ATOM 0 HD1 PHE B 59 14.082 -15.038 8.860 1.00 0.00 H new ATOM 0 HD2 PHE B 59 18.195 -14.415 7.702 1.00 0.00 H new ATOM 0 HE1 PHE B 59 13.953 -17.012 7.342 1.00 0.00 H new ATOM 0 HE2 PHE B 59 18.067 -16.389 6.185 1.00 0.00 H new ATOM 0 HZ PHE B 59 15.945 -17.686 6.006 1.00 0.00 H new ATOM 1743 N ILE B 60 18.584 -13.610 11.123 1.00 0.00 N ATOM 1744 CA ILE B 60 19.942 -14.093 11.510 1.00 0.00 C ATOM 1745 C ILE B 60 20.057 -14.183 13.034 1.00 0.00 C ATOM 1746 O ILE B 60 20.655 -15.094 13.569 1.00 0.00 O ATOM 1747 CB ILE B 60 20.907 -13.043 10.960 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.725 -12.930 9.445 1.00 0.00 C ATOM 1749 CG2 ILE B 60 22.345 -13.459 11.270 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.669 -11.455 9.045 1.00 0.00 C ATOM 0 H ILE B 60 18.535 -12.632 10.839 1.00 0.00 H new ATOM 0 HA ILE B 60 20.155 -15.087 11.117 1.00 0.00 H new ATOM 0 HB ILE B 60 20.700 -12.079 11.425 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.549 -13.426 8.931 1.00 0.00 H new ATOM 0 HG13 ILE B 60 19.809 -13.435 9.140 1.00 0.00 H new ATOM 0 HG21 ILE B 60 23.033 -12.710 10.878 1.00 0.00 H new ATOM 0 HG22 ILE B 60 22.475 -13.542 12.349 1.00 0.00 H new ATOM 0 HG23 ILE B 60 22.553 -14.422 10.805 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.539 -11.375 7.966 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.830 -10.973 9.548 1.00 0.00 H new ATOM 0 HD13 ILE B 60 21.597 -10.964 9.336 1.00 0.00 H new ATOM 1762 N ALA B 61 19.486 -13.241 13.737 1.00 0.00 N ATOM 1763 CA ALA B 61 19.563 -13.273 15.226 1.00 0.00 C ATOM 1764 C ALA B 61 19.020 -14.604 15.756 1.00 0.00 C ATOM 1765 O ALA B 61 19.344 -15.027 16.847 1.00 0.00 O ATOM 1766 CB ALA B 61 18.685 -12.112 15.692 1.00 0.00 C ATOM 0 H ALA B 61 18.971 -12.453 13.345 1.00 0.00 H new ATOM 0 HA ALA B 61 20.587 -13.181 15.589 1.00 0.00 H new ATOM 0 HB1 ALA B 61 18.689 -12.067 16.781 1.00 0.00 H new ATOM 0 HB2 ALA B 61 19.074 -11.177 15.289 1.00 0.00 H new ATOM 0 HB3 ALA B 61 17.665 -12.263 15.339 1.00 0.00 H new ATOM 1772 N ALA B 62 18.198 -15.266 14.989 1.00 0.00 N ATOM 1773 CA ALA B 62 17.635 -16.568 15.449 1.00 0.00 C ATOM 1774 C ALA B 62 18.406 -17.730 14.817 1.00 0.00 C ATOM 1775 O ALA B 62 19.168 -18.412 15.472 1.00 0.00 O ATOM 1776 CB ALA B 62 16.184 -16.564 14.971 1.00 0.00 C ATOM 0 H ALA B 62 17.892 -14.963 14.065 1.00 0.00 H new ATOM 0 HA ALA B 62 17.707 -16.690 16.530 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.699 -17.493 15.272 1.00 0.00 H new ATOM 0 HB2 ALA B 62 15.657 -15.719 15.415 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.159 -16.477 13.885 1.00 0.00 H new ATOM 1782 N SER B 63 18.213 -17.960 13.546 1.00 0.00 N ATOM 1783 CA SER B 63 18.934 -19.079 12.873 1.00 0.00 C ATOM 1784 C SER B 63 19.255 -18.705 11.423 1.00 0.00 C ATOM 1785 O SER B 63 18.713 -17.719 10.953 1.00 0.00 O ATOM 1786 CB SER B 63 17.968 -20.260 12.922 1.00 0.00 C ATOM 1787 OG SER B 63 18.567 -21.328 13.643 1.00 0.00 O ATOM 1788 OXT SER B 63 20.037 -19.413 10.809 1.00 0.00 O ATOM 0 H SER B 63 17.588 -17.422 12.945 1.00 0.00 H new ATOM 0 HA SER B 63 19.882 -19.310 13.358 1.00 0.00 H new ATOM 0 HB2 SER B 63 17.035 -19.962 13.400 1.00 0.00 H new ATOM 0 HB3 SER B 63 17.719 -20.583 11.911 1.00 0.00 H new ATOM 0 HG SER B 63 17.948 -22.087 13.677 1.00 0.00 H new TER 1794 SER B 63