USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.23) USER MOD Single : A 22 GLN : amide:sc= -1.4! K(o=-1.4!,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.32) USER MOD Single : A 32 THR OG1 : rot -71:sc= 1.22 USER MOD Single : A 35 GLN : amide:sc= -2.43 K(o=-2.4,f=-3.4!) USER MOD Single : A 38 SER OG : rot -65:sc= 0.777 USER MOD Single : A 41 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.32) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.0297 (180deg=-0.231) USER MOD Single : A 47 SER OG : rot -78:sc= 0.564 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.25) USER MOD Single : A 56 SER OG : rot -32:sc= 0.177 USER MOD Single : A 59 THR OG1 : rot -79:sc= 1.01 USER MOD Single : A 64 LYS NZ :NH3+ -115:sc= 1.17 (180deg=-0.0893) USER MOD Single : A 67 SER OG : rot -29:sc= 0.158 USER MOD Single : A 68 GLN : amide:sc= -0.471 K(o=-0.47,f=-4.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= -0.0137 (180deg=-0.156) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 42:sc= 0.263 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 98 ASN : amide:sc= 0.359 X(o=0.36,f=-0.0027) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -1.99! C(o=-2!,f=-3.7!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 31:sc= -0.509 USER MOD Single : A 115 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0231) USER MOD Single : A 117 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.77) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.053) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 22 1.398 -0.586 0.264 1.00 0.00 N ATOM 2 CA GLN A 22 2.111 -0.414 -1.027 1.00 0.00 C ATOM 3 C GLN A 22 1.514 -1.351 -2.105 1.00 0.00 C ATOM 4 O GLN A 22 1.692 -1.107 -3.306 1.00 0.00 O ATOM 5 CB GLN A 22 3.629 -0.707 -0.836 1.00 0.00 C ATOM 6 CG GLN A 22 4.547 -0.237 -1.991 1.00 0.00 C ATOM 7 CD GLN A 22 4.678 1.289 -2.078 1.00 0.00 C ATOM 8 OE1 GLN A 22 5.563 1.884 -1.467 1.00 0.00 O ATOM 9 NE2 GLN A 22 3.801 1.935 -2.834 1.00 0.00 N ATOM 0 HA GLN A 22 1.988 0.616 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.961 -0.230 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.761 -1.781 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.537 -0.673 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.155 -0.616 -2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.076 1.417 -3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.851 2.950 -2.919 1.00 0.00 H new ATOM 18 N MET A 23 0.798 -2.417 -1.648 1.00 0.00 N ATOM 19 CA MET A 23 0.270 -3.503 -2.508 1.00 0.00 C ATOM 20 C MET A 23 -0.589 -2.954 -3.663 1.00 0.00 C ATOM 21 O MET A 23 -0.340 -3.289 -4.808 1.00 0.00 O ATOM 22 CB MET A 23 -0.557 -4.503 -1.652 1.00 0.00 C ATOM 23 CG MET A 23 -1.072 -5.749 -2.403 1.00 0.00 C ATOM 24 SD MET A 23 0.265 -6.834 -2.961 1.00 0.00 S ATOM 25 CE MET A 23 -0.645 -8.176 -3.730 1.00 0.00 C ATOM 0 H MET A 23 0.572 -2.543 -0.661 1.00 0.00 H new ATOM 0 HA MET A 23 1.121 -4.020 -2.950 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.058 -4.833 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 23 -1.412 -3.974 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.741 -6.310 -1.750 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.659 -5.431 -3.264 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.056 -8.916 -4.117 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.296 -8.644 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.248 -7.784 -4.549 1.00 0.00 H new ATOM 35 N LEU A 24 -1.578 -2.096 -3.331 1.00 0.00 N ATOM 36 CA LEU A 24 -2.487 -1.445 -4.316 1.00 0.00 C ATOM 37 C LEU A 24 -1.720 -0.621 -5.387 1.00 0.00 C ATOM 38 O LEU A 24 -2.141 -0.580 -6.550 1.00 0.00 O ATOM 39 CB LEU A 24 -3.554 -0.539 -3.612 1.00 0.00 C ATOM 40 CG LEU A 24 -3.032 0.722 -2.835 1.00 0.00 C ATOM 41 CD1 LEU A 24 -4.165 1.718 -2.541 1.00 0.00 C ATOM 42 CD2 LEU A 24 -2.299 0.346 -1.529 1.00 0.00 C ATOM 0 H LEU A 24 -1.774 -1.830 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.000 -2.260 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.260 -0.199 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.113 -1.159 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.310 1.206 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.764 2.577 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.608 2.053 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.928 1.232 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.958 1.253 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.980 -0.196 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.441 -0.285 -1.762 1.00 0.00 H new ATOM 54 N LEU A 25 -0.601 0.026 -4.988 1.00 0.00 N ATOM 55 CA LEU A 25 0.232 0.829 -5.916 1.00 0.00 C ATOM 56 C LEU A 25 0.933 -0.096 -6.919 1.00 0.00 C ATOM 57 O LEU A 25 0.918 0.163 -8.121 1.00 0.00 O ATOM 58 CB LEU A 25 1.295 1.692 -5.168 1.00 0.00 C ATOM 59 CG LEU A 25 0.806 3.012 -4.477 1.00 0.00 C ATOM 60 CD1 LEU A 25 0.050 3.922 -5.464 1.00 0.00 C ATOM 61 CD2 LEU A 25 -0.023 2.747 -3.212 1.00 0.00 C ATOM 0 H LEU A 25 -0.253 0.008 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.436 1.514 -6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.759 1.066 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.075 1.956 -5.882 1.00 0.00 H new ATOM 0 HG LEU A 25 1.703 3.541 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.274 4.827 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.709 4.190 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.821 3.394 -5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.335 3.696 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.904 2.160 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.580 2.197 -2.490 1.00 0.00 H new ATOM 73 N ASN A 26 1.517 -1.179 -6.387 1.00 0.00 N ATOM 74 CA ASN A 26 2.303 -2.151 -7.177 1.00 0.00 C ATOM 75 C ASN A 26 1.385 -2.953 -8.112 1.00 0.00 C ATOM 76 O ASN A 26 1.741 -3.219 -9.265 1.00 0.00 O ATOM 77 CB ASN A 26 3.091 -3.105 -6.239 1.00 0.00 C ATOM 78 CG ASN A 26 4.076 -2.391 -5.299 1.00 0.00 C ATOM 79 OD1 ASN A 26 4.594 -1.316 -5.610 1.00 0.00 O ATOM 80 ND2 ASN A 26 4.354 -2.992 -4.149 1.00 0.00 N ATOM 0 H ASN A 26 1.460 -1.410 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 26 3.019 -1.599 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.381 -3.675 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.642 -3.822 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.011 -2.565 -3.496 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.910 -3.881 -3.918 1.00 0.00 H new ATOM 87 N GLN A 27 0.199 -3.299 -7.593 1.00 0.00 N ATOM 88 CA GLN A 27 -0.838 -4.038 -8.321 1.00 0.00 C ATOM 89 C GLN A 27 -1.324 -3.233 -9.535 1.00 0.00 C ATOM 90 O GLN A 27 -1.301 -3.744 -10.662 1.00 0.00 O ATOM 91 CB GLN A 27 -2.021 -4.374 -7.365 1.00 0.00 C ATOM 92 CG GLN A 27 -1.873 -5.677 -6.554 1.00 0.00 C ATOM 93 CD GLN A 27 -2.066 -6.947 -7.392 1.00 0.00 C ATOM 94 OE1 GLN A 27 -1.450 -7.981 -7.129 1.00 0.00 O ATOM 95 NE2 GLN A 27 -2.962 -6.896 -8.381 1.00 0.00 N ATOM 0 H GLN A 27 -0.070 -3.068 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.414 -4.972 -8.688 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.148 -3.546 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.935 -4.436 -7.955 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.884 -5.700 -6.097 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.600 -5.674 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.457 -6.026 -8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.151 -7.727 -8.941 1.00 0.00 H new ATOM 104 N LEU A 28 -1.737 -1.961 -9.288 1.00 0.00 N ATOM 105 CA LEU A 28 -2.207 -1.057 -10.353 1.00 0.00 C ATOM 106 C LEU A 28 -1.115 -0.872 -11.417 1.00 0.00 C ATOM 107 O LEU A 28 -1.378 -1.016 -12.604 1.00 0.00 O ATOM 108 CB LEU A 28 -2.607 0.328 -9.785 1.00 0.00 C ATOM 109 CG LEU A 28 -3.398 1.217 -10.791 1.00 0.00 C ATOM 110 CD1 LEU A 28 -4.802 0.659 -11.020 1.00 0.00 C ATOM 111 CD2 LEU A 28 -3.450 2.686 -10.374 1.00 0.00 C ATOM 0 H LEU A 28 -1.751 -1.546 -8.357 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.087 -1.514 -10.805 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.212 0.182 -8.890 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.706 0.858 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.852 1.185 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.336 1.296 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.731 -0.351 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.342 0.634 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.014 3.254 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.937 2.771 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.436 3.082 -10.308 1.00 0.00 H new ATOM 123 N ARG A 29 0.111 -0.592 -10.935 1.00 0.00 N ATOM 124 CA ARG A 29 1.315 -0.384 -11.765 1.00 0.00 C ATOM 125 C ARG A 29 1.538 -1.556 -12.733 1.00 0.00 C ATOM 126 O ARG A 29 1.872 -1.358 -13.906 1.00 0.00 O ATOM 127 CB ARG A 29 2.542 -0.245 -10.827 1.00 0.00 C ATOM 128 CG ARG A 29 3.876 0.070 -11.522 1.00 0.00 C ATOM 129 CD ARG A 29 5.059 0.099 -10.541 1.00 0.00 C ATOM 130 NE ARG A 29 5.303 -1.218 -9.914 1.00 0.00 N ATOM 131 CZ ARG A 29 6.009 -2.222 -10.470 1.00 0.00 C ATOM 132 NH1 ARG A 29 6.467 -2.138 -11.711 1.00 0.00 N ATOM 133 NH2 ARG A 29 6.214 -3.332 -9.792 1.00 0.00 N ATOM 0 H ARG A 29 0.297 -0.502 -9.936 1.00 0.00 H new ATOM 0 HA ARG A 29 1.180 0.519 -12.360 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.335 0.543 -10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.655 -1.173 -10.266 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.066 -0.677 -12.293 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.801 1.034 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.957 0.419 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.865 0.838 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 29 4.906 -1.379 -8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.287 -1.301 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.999 -2.910 -12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.839 -3.430 -8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.748 -4.094 -10.210 1.00 0.00 H new ATOM 147 N GLU A 30 1.336 -2.772 -12.200 1.00 0.00 N ATOM 148 CA GLU A 30 1.502 -4.034 -12.931 1.00 0.00 C ATOM 149 C GLU A 30 0.462 -4.160 -14.060 1.00 0.00 C ATOM 150 O GLU A 30 0.807 -4.487 -15.199 1.00 0.00 O ATOM 151 CB GLU A 30 1.374 -5.211 -11.929 1.00 0.00 C ATOM 152 CG GLU A 30 1.562 -6.618 -12.528 1.00 0.00 C ATOM 153 CD GLU A 30 1.404 -7.737 -11.481 1.00 0.00 C ATOM 154 OE1 GLU A 30 2.247 -7.809 -10.556 1.00 0.00 O ATOM 155 OE2 GLU A 30 0.439 -8.531 -11.565 1.00 0.00 O ATOM 0 H GLU A 30 1.047 -2.905 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 30 2.488 -4.056 -13.396 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.109 -5.072 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.390 -5.163 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.835 -6.768 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.551 -6.686 -12.980 1.00 0.00 H new ATOM 162 N ILE A 31 -0.812 -3.861 -13.732 1.00 0.00 N ATOM 163 CA ILE A 31 -1.965 -4.098 -14.642 1.00 0.00 C ATOM 164 C ILE A 31 -2.374 -2.845 -15.463 1.00 0.00 C ATOM 165 O ILE A 31 -3.356 -2.894 -16.214 1.00 0.00 O ATOM 166 CB ILE A 31 -3.188 -4.671 -13.830 1.00 0.00 C ATOM 167 CG1 ILE A 31 -3.670 -3.666 -12.733 1.00 0.00 C ATOM 168 CG2 ILE A 31 -2.825 -6.042 -13.209 1.00 0.00 C ATOM 169 CD1 ILE A 31 -4.678 -4.217 -11.722 1.00 0.00 C ATOM 0 H ILE A 31 -1.075 -3.451 -12.836 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.641 -4.837 -15.375 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.017 -4.813 -14.523 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.797 -3.306 -12.188 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.115 -2.803 -13.228 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.679 -6.426 -12.651 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.565 -6.743 -14.002 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.976 -5.923 -12.536 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.942 -3.436 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.574 -4.549 -12.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.236 -5.059 -11.190 1.00 0.00 H new ATOM 181 N THR A 32 -1.633 -1.727 -15.305 1.00 0.00 N ATOM 182 CA THR A 32 -1.770 -0.530 -16.183 1.00 0.00 C ATOM 183 C THR A 32 -0.525 -0.388 -17.067 1.00 0.00 C ATOM 184 O THR A 32 -0.620 -0.064 -18.260 1.00 0.00 O ATOM 185 CB THR A 32 -1.964 0.800 -15.367 1.00 0.00 C ATOM 186 OG1 THR A 32 -0.859 1.000 -14.457 1.00 0.00 O ATOM 187 CG2 THR A 32 -3.290 0.804 -14.592 1.00 0.00 C ATOM 0 H THR A 32 -0.928 -1.622 -14.575 1.00 0.00 H new ATOM 0 HA THR A 32 -2.662 -0.685 -16.790 1.00 0.00 H new ATOM 0 HB THR A 32 -1.993 1.621 -16.084 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.911 0.344 -13.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.387 1.740 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.120 0.707 -15.291 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.305 -0.032 -13.893 1.00 0.00 H new ATOM 195 N GLY A 33 0.645 -0.621 -16.450 1.00 0.00 N ATOM 196 CA GLY A 33 1.950 -0.455 -17.104 1.00 0.00 C ATOM 197 C GLY A 33 2.556 0.912 -16.812 1.00 0.00 C ATOM 198 O GLY A 33 3.591 1.278 -17.379 1.00 0.00 O ATOM 0 H GLY A 33 0.711 -0.931 -15.480 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.630 -1.235 -16.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.836 -0.580 -18.181 1.00 0.00 H new ATOM 202 N ILE A 34 1.895 1.662 -15.908 1.00 0.00 N ATOM 203 CA ILE A 34 2.300 3.013 -15.509 1.00 0.00 C ATOM 204 C ILE A 34 3.141 2.933 -14.224 1.00 0.00 C ATOM 205 O ILE A 34 2.625 2.593 -13.156 1.00 0.00 O ATOM 206 CB ILE A 34 1.036 3.930 -15.298 1.00 0.00 C ATOM 207 CG1 ILE A 34 0.200 4.018 -16.616 1.00 0.00 C ATOM 208 CG2 ILE A 34 1.428 5.341 -14.793 1.00 0.00 C ATOM 209 CD1 ILE A 34 -1.107 4.775 -16.483 1.00 0.00 C ATOM 0 H ILE A 34 1.054 1.336 -15.431 1.00 0.00 H new ATOM 0 HA ILE A 34 2.903 3.458 -16.300 1.00 0.00 H new ATOM 0 HB ILE A 34 0.418 3.473 -14.525 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.806 4.498 -17.384 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.014 3.007 -16.964 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.529 5.943 -14.660 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.951 5.254 -13.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.081 5.820 -15.523 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.620 4.786 -17.444 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.737 4.285 -15.741 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.904 5.799 -16.168 1.00 0.00 H new ATOM 221 N GLN A 35 4.448 3.217 -14.360 1.00 0.00 N ATOM 222 CA GLN A 35 5.410 3.237 -13.235 1.00 0.00 C ATOM 223 C GLN A 35 5.268 4.531 -12.405 1.00 0.00 C ATOM 224 O GLN A 35 5.729 4.594 -11.261 1.00 0.00 O ATOM 225 CB GLN A 35 6.856 3.105 -13.786 1.00 0.00 C ATOM 226 CG GLN A 35 7.112 1.813 -14.596 1.00 0.00 C ATOM 227 CD GLN A 35 7.148 0.527 -13.764 1.00 0.00 C ATOM 228 OE1 GLN A 35 6.706 -0.532 -14.213 1.00 0.00 O ATOM 229 NE2 GLN A 35 7.733 0.583 -12.575 1.00 0.00 N ATOM 0 H GLN A 35 4.874 3.441 -15.259 1.00 0.00 H new ATOM 0 HA GLN A 35 5.194 2.395 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.071 3.966 -14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.555 3.141 -12.951 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.335 1.717 -15.354 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.061 1.914 -15.123 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.091 1.471 -12.224 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.825 -0.262 -12.011 1.00 0.00 H new ATOM 238 N ASP A 36 4.616 5.542 -13.015 1.00 0.00 N ATOM 239 CA ASP A 36 4.415 6.885 -12.443 1.00 0.00 C ATOM 240 C ASP A 36 3.512 6.797 -11.190 1.00 0.00 C ATOM 241 O ASP A 36 2.300 6.576 -11.336 1.00 0.00 O ATOM 242 CB ASP A 36 3.766 7.822 -13.510 1.00 0.00 C ATOM 243 CG ASP A 36 4.530 7.848 -14.846 1.00 0.00 C ATOM 244 OD1 ASP A 36 4.477 6.843 -15.588 1.00 0.00 O ATOM 245 OD2 ASP A 36 5.179 8.865 -15.167 1.00 0.00 O ATOM 0 H ASP A 36 4.205 5.442 -13.943 1.00 0.00 H new ATOM 0 HA ASP A 36 5.381 7.297 -12.150 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.741 7.498 -13.692 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.714 8.835 -13.110 1.00 0.00 H new ATOM 250 N PRO A 37 4.078 6.989 -9.943 1.00 0.00 N ATOM 251 CA PRO A 37 3.347 6.748 -8.676 1.00 0.00 C ATOM 252 C PRO A 37 2.210 7.766 -8.451 1.00 0.00 C ATOM 253 O PRO A 37 1.219 7.445 -7.791 1.00 0.00 O ATOM 254 CB PRO A 37 4.452 6.856 -7.591 1.00 0.00 C ATOM 255 CG PRO A 37 5.452 7.803 -8.187 1.00 0.00 C ATOM 256 CD PRO A 37 5.450 7.505 -9.680 1.00 0.00 C ATOM 0 HA PRO A 37 2.841 5.783 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.053 7.236 -6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.899 5.885 -7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.176 8.839 -7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.442 7.651 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.659 8.400 -10.266 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.210 6.769 -9.941 1.00 0.00 H new ATOM 264 N SER A 38 2.356 8.978 -9.033 1.00 0.00 N ATOM 265 CA SER A 38 1.348 10.039 -8.934 1.00 0.00 C ATOM 266 C SER A 38 0.039 9.576 -9.584 1.00 0.00 C ATOM 267 O SER A 38 -1.018 9.660 -8.966 1.00 0.00 O ATOM 268 CB SER A 38 1.881 11.336 -9.589 1.00 0.00 C ATOM 269 OG SER A 38 1.044 12.443 -9.333 1.00 0.00 O ATOM 0 H SER A 38 3.176 9.240 -9.581 1.00 0.00 H new ATOM 0 HA SER A 38 1.144 10.254 -7.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.883 11.545 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.967 11.189 -10.666 1.00 0.00 H new ATOM 0 HG SER A 38 0.177 12.305 -9.768 1.00 0.00 H new ATOM 275 N PHE A 39 0.158 9.015 -10.810 1.00 0.00 N ATOM 276 CA PHE A 39 -0.978 8.447 -11.569 1.00 0.00 C ATOM 277 C PHE A 39 -1.682 7.339 -10.780 1.00 0.00 C ATOM 278 O PHE A 39 -2.901 7.204 -10.861 1.00 0.00 O ATOM 279 CB PHE A 39 -0.499 7.882 -12.937 1.00 0.00 C ATOM 280 CG PHE A 39 -0.351 8.931 -14.039 1.00 0.00 C ATOM 281 CD1 PHE A 39 0.444 10.062 -13.855 1.00 0.00 C ATOM 282 CD2 PHE A 39 -1.026 8.788 -15.260 1.00 0.00 C ATOM 283 CE1 PHE A 39 0.561 11.017 -14.851 1.00 0.00 C ATOM 284 CE2 PHE A 39 -0.909 9.746 -16.252 1.00 0.00 C ATOM 285 CZ PHE A 39 -0.109 10.855 -16.048 1.00 0.00 C ATOM 0 H PHE A 39 1.049 8.944 -11.301 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.688 9.256 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.461 7.385 -12.795 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.206 7.121 -13.269 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.975 10.195 -12.924 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.645 7.919 -15.428 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.177 11.890 -14.692 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.442 9.627 -17.184 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.008 11.597 -16.827 1.00 0.00 H new ATOM 295 N LEU A 40 -0.888 6.555 -10.032 1.00 0.00 N ATOM 296 CA LEU A 40 -1.381 5.378 -9.313 1.00 0.00 C ATOM 297 C LEU A 40 -2.259 5.786 -8.107 1.00 0.00 C ATOM 298 O LEU A 40 -3.388 5.295 -7.967 1.00 0.00 O ATOM 299 CB LEU A 40 -0.195 4.464 -8.899 1.00 0.00 C ATOM 300 CG LEU A 40 0.787 4.037 -10.043 1.00 0.00 C ATOM 301 CD1 LEU A 40 1.926 3.150 -9.497 1.00 0.00 C ATOM 302 CD2 LEU A 40 0.048 3.346 -11.221 1.00 0.00 C ATOM 0 H LEU A 40 0.111 6.722 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.021 4.802 -9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.380 4.978 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.602 3.561 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 40 1.232 4.949 -10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.592 2.869 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.488 3.702 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.504 2.251 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.769 3.068 -11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.459 2.452 -10.858 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.686 4.033 -11.643 1.00 0.00 H new ATOM 314 N HIS A 41 -1.737 6.692 -7.254 1.00 0.00 N ATOM 315 CA HIS A 41 -2.499 7.276 -6.119 1.00 0.00 C ATOM 316 C HIS A 41 -3.747 8.041 -6.607 1.00 0.00 C ATOM 317 O HIS A 41 -4.812 7.937 -5.994 1.00 0.00 O ATOM 318 CB HIS A 41 -1.619 8.246 -5.275 1.00 0.00 C ATOM 319 CG HIS A 41 -0.476 7.610 -4.508 1.00 0.00 C ATOM 320 ND1 HIS A 41 -0.654 6.927 -3.322 1.00 0.00 N ATOM 321 CD2 HIS A 41 0.862 7.568 -4.751 1.00 0.00 C ATOM 322 CE1 HIS A 41 0.514 6.507 -2.876 1.00 0.00 C ATOM 323 NE2 HIS A 41 1.446 6.878 -3.721 1.00 0.00 N ATOM 0 H HIS A 41 -0.781 7.041 -7.328 1.00 0.00 H new ATOM 0 HA HIS A 41 -2.810 6.437 -5.497 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.206 9.003 -5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -2.263 8.764 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.371 8.000 -5.600 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.676 5.950 -1.965 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.443 6.684 -3.627 1.00 0.00 H new ATOM 332 N GLU A 42 -3.593 8.820 -7.696 1.00 0.00 N ATOM 333 CA GLU A 42 -4.685 9.627 -8.270 1.00 0.00 C ATOM 334 C GLU A 42 -5.809 8.754 -8.845 1.00 0.00 C ATOM 335 O GLU A 42 -6.977 9.140 -8.783 1.00 0.00 O ATOM 336 CB GLU A 42 -4.148 10.568 -9.377 1.00 0.00 C ATOM 337 CG GLU A 42 -3.337 11.775 -8.862 1.00 0.00 C ATOM 338 CD GLU A 42 -2.820 12.680 -9.994 1.00 0.00 C ATOM 339 OE1 GLU A 42 -3.614 13.480 -10.533 1.00 0.00 O ATOM 340 OE2 GLU A 42 -1.624 12.606 -10.345 1.00 0.00 O ATOM 0 H GLU A 42 -2.711 8.907 -8.200 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.099 10.220 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.520 9.989 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.991 10.937 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.961 12.364 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.491 11.414 -8.278 1.00 0.00 H new ATOM 347 N ALA A 43 -5.438 7.603 -9.429 1.00 0.00 N ATOM 348 CA ALA A 43 -6.405 6.654 -9.998 1.00 0.00 C ATOM 349 C ALA A 43 -7.196 5.963 -8.888 1.00 0.00 C ATOM 350 O ALA A 43 -8.422 5.833 -8.977 1.00 0.00 O ATOM 351 CB ALA A 43 -5.678 5.628 -10.863 1.00 0.00 C ATOM 0 H ALA A 43 -4.466 7.307 -9.519 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.110 7.201 -10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.401 4.928 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.157 6.139 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.957 5.084 -10.253 1.00 0.00 H new ATOM 357 N LEU A 44 -6.459 5.529 -7.838 1.00 0.00 N ATOM 358 CA LEU A 44 -7.034 4.898 -6.631 1.00 0.00 C ATOM 359 C LEU A 44 -7.978 5.885 -5.913 1.00 0.00 C ATOM 360 O LEU A 44 -9.012 5.490 -5.375 1.00 0.00 O ATOM 361 CB LEU A 44 -5.898 4.370 -5.678 1.00 0.00 C ATOM 362 CG LEU A 44 -5.515 2.854 -5.818 1.00 0.00 C ATOM 363 CD1 LEU A 44 -6.695 1.948 -5.428 1.00 0.00 C ATOM 364 CD2 LEU A 44 -5.002 2.510 -7.220 1.00 0.00 C ATOM 0 H LEU A 44 -5.443 5.608 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.624 4.033 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.002 4.966 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.205 4.551 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.695 2.670 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.402 0.903 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.977 2.143 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.544 2.155 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.751 1.450 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.776 2.731 -7.955 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.114 3.103 -7.438 1.00 0.00 H new ATOM 376 N LYS A 45 -7.609 7.174 -5.947 1.00 0.00 N ATOM 377 CA LYS A 45 -8.425 8.274 -5.411 1.00 0.00 C ATOM 378 C LYS A 45 -9.695 8.462 -6.269 1.00 0.00 C ATOM 379 O LYS A 45 -10.803 8.577 -5.731 1.00 0.00 O ATOM 380 CB LYS A 45 -7.548 9.576 -5.321 1.00 0.00 C ATOM 381 CG LYS A 45 -8.316 10.929 -5.221 1.00 0.00 C ATOM 382 CD LYS A 45 -8.493 11.639 -6.596 1.00 0.00 C ATOM 383 CE LYS A 45 -7.187 12.249 -7.132 1.00 0.00 C ATOM 384 NZ LYS A 45 -6.664 13.310 -6.237 1.00 0.00 N ATOM 0 H LYS A 45 -6.726 7.486 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.764 8.038 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.897 9.489 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.904 9.614 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.298 10.750 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.781 11.594 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.877 10.922 -7.322 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.241 12.426 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.438 11.465 -7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.361 12.664 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.931 13.854 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.440 13.946 -5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.254 12.875 -5.386 1.00 0.00 H new ATOM 398 N ALA A 46 -9.516 8.451 -7.604 1.00 0.00 N ATOM 399 CA ALA A 46 -10.602 8.697 -8.584 1.00 0.00 C ATOM 400 C ALA A 46 -11.617 7.539 -8.624 1.00 0.00 C ATOM 401 O ALA A 46 -12.732 7.692 -9.131 1.00 0.00 O ATOM 402 CB ALA A 46 -10.003 8.941 -9.981 1.00 0.00 C ATOM 0 H ALA A 46 -8.611 8.271 -8.039 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.144 9.587 -8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.807 9.121 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.345 9.810 -9.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.432 8.065 -10.290 1.00 0.00 H new ATOM 408 N SER A 47 -11.206 6.377 -8.100 1.00 0.00 N ATOM 409 CA SER A 47 -12.050 5.177 -8.013 1.00 0.00 C ATOM 410 C SER A 47 -12.568 4.953 -6.578 1.00 0.00 C ATOM 411 O SER A 47 -13.252 3.954 -6.316 1.00 0.00 O ATOM 412 CB SER A 47 -11.221 3.977 -8.472 1.00 0.00 C ATOM 413 OG SER A 47 -10.058 3.821 -7.678 1.00 0.00 O ATOM 0 H SER A 47 -10.269 6.242 -7.721 1.00 0.00 H new ATOM 0 HA SER A 47 -12.924 5.304 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.826 3.072 -8.417 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.936 4.107 -9.516 1.00 0.00 H new ATOM 0 HG SER A 47 -9.378 4.467 -7.963 1.00 0.00 H new ATOM 419 N ASN A 48 -12.190 5.877 -5.654 1.00 0.00 N ATOM 420 CA ASN A 48 -12.554 5.839 -4.212 1.00 0.00 C ATOM 421 C ASN A 48 -11.937 4.621 -3.478 1.00 0.00 C ATOM 422 O ASN A 48 -12.329 4.310 -2.344 1.00 0.00 O ATOM 423 CB ASN A 48 -14.098 5.897 -4.012 1.00 0.00 C ATOM 424 CG ASN A 48 -14.729 7.177 -4.568 1.00 0.00 C ATOM 425 OD1 ASN A 48 -15.071 7.259 -5.754 1.00 0.00 O ATOM 426 ND2 ASN A 48 -14.907 8.176 -3.715 1.00 0.00 N ATOM 0 H ASN A 48 -11.614 6.683 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.124 6.732 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.554 5.034 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.324 5.820 -2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.338 9.045 -4.030 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.613 8.075 -2.743 1.00 0.00 H new ATOM 433 N GLY A 49 -10.945 3.961 -4.118 1.00 0.00 N ATOM 434 CA GLY A 49 -10.253 2.804 -3.545 1.00 0.00 C ATOM 435 C GLY A 49 -10.425 1.538 -4.378 1.00 0.00 C ATOM 436 O GLY A 49 -9.726 0.545 -4.137 1.00 0.00 O ATOM 0 H GLY A 49 -10.608 4.222 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.191 3.031 -3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -10.629 2.624 -2.538 1.00 0.00 H new ATOM 440 N ASP A 50 -11.353 1.558 -5.365 1.00 0.00 N ATOM 441 CA ASP A 50 -11.611 0.385 -6.226 1.00 0.00 C ATOM 442 C ASP A 50 -10.520 0.293 -7.312 1.00 0.00 C ATOM 443 O ASP A 50 -10.593 0.979 -8.334 1.00 0.00 O ATOM 444 CB ASP A 50 -13.025 0.447 -6.864 1.00 0.00 C ATOM 445 CG ASP A 50 -13.413 -0.875 -7.556 1.00 0.00 C ATOM 446 OD1 ASP A 50 -13.978 -1.767 -6.881 1.00 0.00 O ATOM 447 OD2 ASP A 50 -13.139 -1.046 -8.762 1.00 0.00 O ATOM 0 H ASP A 50 -11.931 2.370 -5.582 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.578 -0.513 -5.608 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.759 0.680 -6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.058 1.258 -7.591 1.00 0.00 H new ATOM 452 N ILE A 51 -9.526 -0.574 -7.081 1.00 0.00 N ATOM 453 CA ILE A 51 -8.324 -0.669 -7.925 1.00 0.00 C ATOM 454 C ILE A 51 -8.657 -1.050 -9.394 1.00 0.00 C ATOM 455 O ILE A 51 -7.965 -0.613 -10.315 1.00 0.00 O ATOM 456 CB ILE A 51 -7.272 -1.646 -7.280 1.00 0.00 C ATOM 457 CG1 ILE A 51 -5.950 -1.706 -8.109 1.00 0.00 C ATOM 458 CG2 ILE A 51 -7.864 -3.063 -7.070 1.00 0.00 C ATOM 459 CD1 ILE A 51 -4.783 -2.309 -7.371 1.00 0.00 C ATOM 0 H ILE A 51 -9.531 -1.232 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.875 0.323 -7.972 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.024 -1.242 -6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.129 -2.284 -9.016 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.685 -0.696 -8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.109 -3.710 -6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.728 -3.002 -6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.172 -3.475 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.906 -2.313 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.573 -1.720 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.025 -3.332 -7.082 1.00 0.00 H new ATOM 471 N THR A 52 -9.756 -1.803 -9.604 1.00 0.00 N ATOM 472 CA THR A 52 -10.221 -2.185 -10.953 1.00 0.00 C ATOM 473 C THR A 52 -10.652 -0.934 -11.755 1.00 0.00 C ATOM 474 O THR A 52 -10.236 -0.748 -12.911 1.00 0.00 O ATOM 475 CB THR A 52 -11.404 -3.201 -10.884 1.00 0.00 C ATOM 476 OG1 THR A 52 -11.051 -4.307 -10.039 1.00 0.00 O ATOM 477 CG2 THR A 52 -11.788 -3.721 -12.286 1.00 0.00 C ATOM 0 H THR A 52 -10.342 -2.161 -8.850 1.00 0.00 H new ATOM 0 HA THR A 52 -9.386 -2.667 -11.461 1.00 0.00 H new ATOM 0 HB THR A 52 -12.266 -2.680 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.798 -4.940 -9.999 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.615 -4.426 -12.199 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.090 -2.883 -12.915 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.931 -4.221 -12.736 1.00 0.00 H new ATOM 485 N GLN A 53 -11.467 -0.068 -11.108 1.00 0.00 N ATOM 486 CA GLN A 53 -11.909 1.210 -11.699 1.00 0.00 C ATOM 487 C GLN A 53 -10.717 2.128 -11.942 1.00 0.00 C ATOM 488 O GLN A 53 -10.693 2.830 -12.938 1.00 0.00 O ATOM 489 CB GLN A 53 -12.980 1.921 -10.813 1.00 0.00 C ATOM 490 CG GLN A 53 -14.385 1.297 -10.877 1.00 0.00 C ATOM 491 CD GLN A 53 -14.994 1.361 -12.280 1.00 0.00 C ATOM 492 OE1 GLN A 53 -15.693 2.315 -12.630 1.00 0.00 O ATOM 493 NE2 GLN A 53 -14.719 0.361 -13.105 1.00 0.00 N ATOM 0 H GLN A 53 -11.832 -0.236 -10.170 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.378 0.983 -12.657 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.640 1.911 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.047 2.966 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.332 0.257 -10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.041 1.814 -10.176 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.138 -0.416 -12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.088 0.368 -14.056 1.00 0.00 H new ATOM 502 N ALA A 54 -9.727 2.074 -11.033 1.00 0.00 N ATOM 503 CA ALA A 54 -8.484 2.853 -11.144 1.00 0.00 C ATOM 504 C ALA A 54 -7.735 2.528 -12.452 1.00 0.00 C ATOM 505 O ALA A 54 -7.270 3.447 -13.161 1.00 0.00 O ATOM 506 CB ALA A 54 -7.610 2.591 -9.913 1.00 0.00 C ATOM 0 H ALA A 54 -9.768 1.487 -10.200 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.730 3.914 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.688 3.167 -9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.149 2.890 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.371 1.529 -9.856 1.00 0.00 H new ATOM 512 N VAL A 55 -7.658 1.212 -12.780 1.00 0.00 N ATOM 513 CA VAL A 55 -7.079 0.737 -14.057 1.00 0.00 C ATOM 514 C VAL A 55 -7.854 1.340 -15.221 1.00 0.00 C ATOM 515 O VAL A 55 -7.265 1.938 -16.115 1.00 0.00 O ATOM 516 CB VAL A 55 -7.121 -0.830 -14.230 1.00 0.00 C ATOM 517 CG1 VAL A 55 -6.401 -1.285 -15.529 1.00 0.00 C ATOM 518 CG2 VAL A 55 -6.567 -1.554 -13.006 1.00 0.00 C ATOM 0 H VAL A 55 -7.991 0.462 -12.174 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.035 1.049 -14.044 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.171 -1.108 -14.323 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.452 -2.371 -15.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.888 -0.832 -16.393 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.357 -0.972 -15.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.615 -2.631 -13.168 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.531 -1.257 -12.846 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.159 -1.292 -12.129 1.00 0.00 H new ATOM 528 N SER A 56 -9.192 1.172 -15.154 1.00 0.00 N ATOM 529 CA SER A 56 -10.122 1.594 -16.206 1.00 0.00 C ATOM 530 C SER A 56 -9.996 3.101 -16.488 1.00 0.00 C ATOM 531 O SER A 56 -9.981 3.508 -17.639 1.00 0.00 O ATOM 532 CB SER A 56 -11.562 1.208 -15.795 1.00 0.00 C ATOM 533 OG SER A 56 -12.503 1.422 -16.832 1.00 0.00 O ATOM 0 H SER A 56 -9.655 0.734 -14.357 1.00 0.00 H new ATOM 0 HA SER A 56 -9.872 1.081 -17.135 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.583 0.158 -15.502 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.854 1.789 -14.920 1.00 0.00 H new ATOM 0 HG SER A 56 -12.224 2.189 -17.374 1.00 0.00 H new ATOM 539 N LEU A 57 -9.823 3.898 -15.421 1.00 0.00 N ATOM 540 CA LEU A 57 -9.767 5.370 -15.514 1.00 0.00 C ATOM 541 C LEU A 57 -8.424 5.857 -16.099 1.00 0.00 C ATOM 542 O LEU A 57 -8.385 6.910 -16.746 1.00 0.00 O ATOM 543 CB LEU A 57 -10.045 5.989 -14.118 1.00 0.00 C ATOM 544 CG LEU A 57 -11.500 5.758 -13.577 1.00 0.00 C ATOM 545 CD1 LEU A 57 -11.628 6.114 -12.083 1.00 0.00 C ATOM 546 CD2 LEU A 57 -12.548 6.519 -14.425 1.00 0.00 C ATOM 0 H LEU A 57 -9.718 3.543 -14.471 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.540 5.705 -16.205 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.336 5.572 -13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.856 7.061 -14.167 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.705 4.692 -13.671 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.652 5.938 -11.753 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.948 5.492 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.375 7.164 -11.936 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.544 6.336 -14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.334 7.587 -14.394 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.504 6.170 -15.457 1.00 0.00 H new ATOM 558 N LEU A 58 -7.338 5.091 -15.867 1.00 0.00 N ATOM 559 CA LEU A 58 -6.017 5.377 -16.486 1.00 0.00 C ATOM 560 C LEU A 58 -5.975 4.954 -17.969 1.00 0.00 C ATOM 561 O LEU A 58 -5.368 5.641 -18.802 1.00 0.00 O ATOM 562 CB LEU A 58 -4.870 4.680 -15.700 1.00 0.00 C ATOM 563 CG LEU A 58 -4.549 5.263 -14.286 1.00 0.00 C ATOM 564 CD1 LEU A 58 -3.425 4.466 -13.581 1.00 0.00 C ATOM 565 CD2 LEU A 58 -4.189 6.772 -14.358 1.00 0.00 C ATOM 0 H LEU A 58 -7.344 4.272 -15.259 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.871 6.456 -16.439 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.124 3.626 -15.586 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.964 4.726 -16.304 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.455 5.162 -13.689 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.230 4.901 -12.601 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.735 3.428 -13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.517 4.507 -14.183 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.972 7.142 -13.356 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.313 6.907 -14.993 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.029 7.327 -14.776 1.00 0.00 H new ATOM 577 N THR A 59 -6.613 3.820 -18.286 1.00 0.00 N ATOM 578 CA THR A 59 -6.528 3.195 -19.618 1.00 0.00 C ATOM 579 C THR A 59 -7.563 3.770 -20.609 1.00 0.00 C ATOM 580 O THR A 59 -7.303 3.803 -21.816 1.00 0.00 O ATOM 581 CB THR A 59 -6.666 1.641 -19.505 1.00 0.00 C ATOM 582 OG1 THR A 59 -7.867 1.314 -18.786 1.00 0.00 O ATOM 583 CG2 THR A 59 -5.446 1.005 -18.799 1.00 0.00 C ATOM 0 H THR A 59 -7.203 3.308 -17.629 1.00 0.00 H new ATOM 0 HA THR A 59 -5.544 3.433 -20.021 1.00 0.00 H new ATOM 0 HB THR A 59 -6.714 1.236 -20.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.714 1.427 -17.825 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.581 -0.075 -18.741 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.541 1.227 -19.365 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.354 1.414 -17.793 1.00 0.00 H new ATOM 591 N ASP A 60 -8.720 4.257 -20.100 1.00 0.00 N ATOM 592 CA ASP A 60 -9.779 4.854 -20.962 1.00 0.00 C ATOM 593 C ASP A 60 -9.321 6.177 -21.592 1.00 0.00 C ATOM 594 O ASP A 60 -9.845 6.575 -22.627 1.00 0.00 O ATOM 595 CB ASP A 60 -11.129 5.051 -20.204 1.00 0.00 C ATOM 596 CG ASP A 60 -11.957 3.757 -20.040 1.00 0.00 C ATOM 597 OD1 ASP A 60 -12.040 2.966 -21.002 1.00 0.00 O ATOM 598 OD2 ASP A 60 -12.562 3.542 -18.966 1.00 0.00 O ATOM 0 H ASP A 60 -8.947 4.250 -19.106 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.955 4.135 -21.762 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.922 5.464 -19.217 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.729 5.788 -20.738 1.00 0.00 H new ATOM 603 N GLU A 61 -8.318 6.826 -20.978 1.00 0.00 N ATOM 604 CA GLU A 61 -7.710 8.054 -21.508 1.00 0.00 C ATOM 605 C GLU A 61 -7.111 7.824 -22.915 1.00 0.00 C ATOM 606 O GLU A 61 -7.210 8.686 -23.794 1.00 0.00 O ATOM 607 CB GLU A 61 -6.613 8.550 -20.531 1.00 0.00 C ATOM 608 CG GLU A 61 -7.111 8.845 -19.101 1.00 0.00 C ATOM 609 CD GLU A 61 -8.197 9.934 -19.065 1.00 0.00 C ATOM 610 OE1 GLU A 61 -7.846 11.137 -19.104 1.00 0.00 O ATOM 611 OE2 GLU A 61 -9.403 9.601 -19.042 1.00 0.00 O ATOM 0 H GLU A 61 -7.907 6.512 -20.099 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.487 8.813 -21.600 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.825 7.799 -20.479 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.164 9.456 -20.939 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.506 7.929 -18.662 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.268 9.157 -18.484 1.00 0.00 H new ATOM 618 N ARG A 62 -6.513 6.636 -23.123 1.00 0.00 N ATOM 619 CA ARG A 62 -5.829 6.297 -24.392 1.00 0.00 C ATOM 620 C ARG A 62 -6.714 5.451 -25.337 1.00 0.00 C ATOM 621 O ARG A 62 -6.346 5.253 -26.502 1.00 0.00 O ATOM 622 CB ARG A 62 -4.485 5.572 -24.109 1.00 0.00 C ATOM 623 CG ARG A 62 -4.616 4.211 -23.392 1.00 0.00 C ATOM 624 CD ARG A 62 -3.301 3.409 -23.391 1.00 0.00 C ATOM 625 NE ARG A 62 -2.794 3.178 -24.762 1.00 0.00 N ATOM 626 CZ ARG A 62 -3.285 2.281 -25.635 1.00 0.00 C ATOM 627 NH1 ARG A 62 -4.269 1.454 -25.296 1.00 0.00 N ATOM 628 NH2 ARG A 62 -2.777 2.210 -26.853 1.00 0.00 N ATOM 0 H ARG A 62 -6.488 5.890 -22.428 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.627 7.237 -24.905 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.966 5.419 -25.055 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.857 6.226 -23.503 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.936 4.377 -22.363 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.395 3.623 -23.878 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.549 3.945 -22.812 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.461 2.451 -22.897 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.006 3.747 -25.071 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.667 1.492 -24.358 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.626 0.781 -25.974 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.017 2.833 -27.126 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.145 1.532 -27.520 1.00 0.00 H new ATOM 642 N VAL A 63 -7.877 4.963 -24.859 1.00 0.00 N ATOM 643 CA VAL A 63 -8.767 4.088 -25.669 1.00 0.00 C ATOM 644 C VAL A 63 -10.210 4.669 -25.741 1.00 0.00 C ATOM 645 O VAL A 63 -11.160 3.969 -26.126 1.00 0.00 O ATOM 646 CB VAL A 63 -8.743 2.599 -25.105 1.00 0.00 C ATOM 647 CG1 VAL A 63 -9.502 2.462 -23.765 1.00 0.00 C ATOM 648 CG2 VAL A 63 -9.233 1.558 -26.150 1.00 0.00 C ATOM 0 H VAL A 63 -8.226 5.156 -23.920 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.391 4.057 -26.692 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.696 2.374 -24.901 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.455 1.428 -23.424 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.043 3.111 -23.019 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.544 2.751 -23.906 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.196 0.560 -25.714 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.258 1.789 -26.441 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.589 1.594 -27.029 1.00 0.00 H new ATOM 658 N LYS A 64 -10.364 5.972 -25.401 1.00 0.00 N ATOM 659 CA LYS A 64 -11.658 6.675 -25.486 1.00 0.00 C ATOM 660 C LYS A 64 -12.131 6.792 -26.956 1.00 0.00 C ATOM 661 O LYS A 64 -11.654 7.629 -27.723 1.00 0.00 O ATOM 662 CB LYS A 64 -11.581 8.079 -24.796 1.00 0.00 C ATOM 663 CG LYS A 64 -10.436 9.017 -25.267 1.00 0.00 C ATOM 664 CD LYS A 64 -10.571 10.452 -24.705 1.00 0.00 C ATOM 665 CE LYS A 64 -9.491 11.406 -25.241 1.00 0.00 C ATOM 666 NZ LYS A 64 -8.124 11.020 -24.807 1.00 0.00 N ATOM 0 H LYS A 64 -9.599 6.557 -25.064 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.399 6.084 -24.948 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.530 8.591 -24.956 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.478 7.927 -23.722 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.478 8.598 -24.957 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.429 9.057 -26.356 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.555 10.846 -24.959 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.512 10.418 -23.617 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.532 11.421 -26.330 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.704 12.419 -24.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.735 11.759 -24.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.166 10.120 -24.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.513 10.911 -25.641 1.00 0.00 H new ATOM 680 N GLU A 65 -13.025 5.877 -27.359 1.00 0.00 N ATOM 681 CA GLU A 65 -13.685 5.903 -28.675 1.00 0.00 C ATOM 682 C GLU A 65 -15.189 5.611 -28.447 1.00 0.00 C ATOM 683 O GLU A 65 -15.527 4.507 -28.005 1.00 0.00 O ATOM 684 CB GLU A 65 -13.031 4.873 -29.641 1.00 0.00 C ATOM 685 CG GLU A 65 -11.578 5.222 -30.053 1.00 0.00 C ATOM 686 CD GLU A 65 -10.959 4.243 -31.067 1.00 0.00 C ATOM 687 OE1 GLU A 65 -11.470 4.151 -32.205 1.00 0.00 O ATOM 688 OE2 GLU A 65 -9.947 3.586 -30.750 1.00 0.00 O ATOM 0 H GLU A 65 -13.313 5.091 -26.776 1.00 0.00 H new ATOM 0 HA GLU A 65 -13.570 6.879 -29.147 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.036 3.892 -29.166 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -13.643 4.795 -30.540 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.564 6.226 -30.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.954 5.245 -29.159 1.00 0.00 H new ATOM 695 N PRO A 66 -16.132 6.592 -28.718 1.00 0.00 N ATOM 696 CA PRO A 66 -15.844 7.909 -29.359 1.00 0.00 C ATOM 697 C PRO A 66 -15.089 8.908 -28.427 1.00 0.00 C ATOM 698 O PRO A 66 -15.384 9.023 -27.227 1.00 0.00 O ATOM 699 CB PRO A 66 -17.255 8.422 -29.736 1.00 0.00 C ATOM 700 CG PRO A 66 -18.151 7.838 -28.689 1.00 0.00 C ATOM 701 CD PRO A 66 -17.583 6.464 -28.389 1.00 0.00 C ATOM 0 HA PRO A 66 -15.169 7.812 -30.210 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.296 9.511 -29.733 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.544 8.095 -30.735 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.166 8.460 -27.794 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.178 7.768 -29.046 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.733 6.190 -27.345 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -18.063 5.694 -28.993 1.00 0.00 H new ATOM 709 N SER A 67 -14.103 9.610 -29.021 1.00 0.00 N ATOM 710 CA SER A 67 -13.182 10.522 -28.311 1.00 0.00 C ATOM 711 C SER A 67 -13.785 11.929 -28.131 1.00 0.00 C ATOM 712 O SER A 67 -13.165 12.800 -27.506 1.00 0.00 O ATOM 713 CB SER A 67 -11.854 10.597 -29.099 1.00 0.00 C ATOM 714 OG SER A 67 -10.851 11.325 -28.399 1.00 0.00 O ATOM 0 H SER A 67 -13.921 9.559 -30.023 1.00 0.00 H new ATOM 0 HA SER A 67 -13.004 10.128 -27.311 1.00 0.00 H new ATOM 0 HB2 SER A 67 -11.495 9.587 -29.298 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.034 11.068 -30.066 1.00 0.00 H new ATOM 0 HG SER A 67 -11.275 12.002 -27.831 1.00 0.00 H new ATOM 720 N GLN A 68 -14.995 12.136 -28.687 1.00 0.00 N ATOM 721 CA GLN A 68 -15.737 13.406 -28.567 1.00 0.00 C ATOM 722 C GLN A 68 -16.118 13.652 -27.095 1.00 0.00 C ATOM 723 O GLN A 68 -16.434 12.701 -26.362 1.00 0.00 O ATOM 724 CB GLN A 68 -17.011 13.408 -29.473 1.00 0.00 C ATOM 725 CG GLN A 68 -16.744 13.469 -30.999 1.00 0.00 C ATOM 726 CD GLN A 68 -16.082 12.219 -31.592 1.00 0.00 C ATOM 727 OE1 GLN A 68 -16.294 11.101 -31.126 1.00 0.00 O ATOM 728 NE2 GLN A 68 -15.271 12.399 -32.623 1.00 0.00 N ATOM 0 H GLN A 68 -15.485 11.427 -29.232 1.00 0.00 H new ATOM 0 HA GLN A 68 -15.090 14.215 -28.908 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -17.590 12.509 -29.259 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -17.631 14.260 -29.196 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.691 13.638 -31.512 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -16.110 14.331 -31.208 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.113 13.338 -32.990 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.804 11.599 -33.051 1.00 0.00 H new ATOM 737 N ASP A 69 -16.068 14.926 -26.676 1.00 0.00 N ATOM 738 CA ASP A 69 -16.302 15.327 -25.276 1.00 0.00 C ATOM 739 C ASP A 69 -17.780 15.140 -24.897 1.00 0.00 C ATOM 740 O ASP A 69 -18.647 15.871 -25.376 1.00 0.00 O ATOM 741 CB ASP A 69 -15.864 16.800 -25.042 1.00 0.00 C ATOM 742 CG ASP A 69 -14.385 17.034 -25.378 1.00 0.00 C ATOM 743 OD1 ASP A 69 -13.529 16.877 -24.482 1.00 0.00 O ATOM 744 OD2 ASP A 69 -14.074 17.355 -26.545 1.00 0.00 O ATOM 0 H ASP A 69 -15.864 15.709 -27.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.698 14.684 -24.636 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.481 17.460 -25.652 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.043 17.068 -24.001 1.00 0.00 H new ATOM 749 N THR A 70 -18.049 14.124 -24.062 1.00 0.00 N ATOM 750 CA THR A 70 -19.390 13.850 -23.511 1.00 0.00 C ATOM 751 C THR A 70 -19.741 14.874 -22.404 1.00 0.00 C ATOM 752 O THR A 70 -18.898 15.695 -22.014 1.00 0.00 O ATOM 753 CB THR A 70 -19.454 12.384 -22.953 1.00 0.00 C ATOM 754 OG1 THR A 70 -20.779 12.073 -22.487 1.00 0.00 O ATOM 755 CG2 THR A 70 -18.444 12.159 -21.813 1.00 0.00 C ATOM 0 H THR A 70 -17.338 13.464 -23.747 1.00 0.00 H new ATOM 0 HA THR A 70 -20.125 13.949 -24.310 1.00 0.00 H new ATOM 0 HB THR A 70 -19.193 11.720 -23.777 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.798 11.155 -22.145 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.521 11.132 -21.456 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.434 12.340 -22.181 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.661 12.845 -20.994 1.00 0.00 H new ATOM 763 N VAL A 71 -20.992 14.825 -21.913 1.00 0.00 N ATOM 764 CA VAL A 71 -21.452 15.652 -20.780 1.00 0.00 C ATOM 765 C VAL A 71 -21.023 15.018 -19.428 1.00 0.00 C ATOM 766 O VAL A 71 -21.854 14.653 -18.582 1.00 0.00 O ATOM 767 CB VAL A 71 -23.014 15.899 -20.856 1.00 0.00 C ATOM 768 CG1 VAL A 71 -23.383 16.806 -22.058 1.00 0.00 C ATOM 769 CG2 VAL A 71 -23.806 14.562 -20.913 1.00 0.00 C ATOM 0 H VAL A 71 -21.714 14.211 -22.290 1.00 0.00 H new ATOM 0 HA VAL A 71 -20.972 16.629 -20.846 1.00 0.00 H new ATOM 0 HB VAL A 71 -23.301 16.416 -19.940 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -24.462 16.956 -22.082 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -22.885 17.770 -21.953 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -23.062 16.330 -22.985 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -24.874 14.774 -20.964 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -23.505 13.998 -21.796 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -23.595 13.976 -20.019 1.00 0.00 H new ATOM 779 N ALA A 72 -19.689 14.893 -19.241 1.00 0.00 N ATOM 780 CA ALA A 72 -19.089 14.300 -18.031 1.00 0.00 C ATOM 781 C ALA A 72 -19.067 15.334 -16.883 1.00 0.00 C ATOM 782 O ALA A 72 -18.015 15.865 -16.506 1.00 0.00 O ATOM 783 CB ALA A 72 -17.680 13.752 -18.348 1.00 0.00 C ATOM 0 H ALA A 72 -19.001 15.202 -19.927 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.699 13.459 -17.699 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -17.248 13.317 -17.447 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.753 12.987 -19.121 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -17.044 14.565 -18.700 1.00 0.00 H new ATOM 789 N THR A 73 -20.273 15.646 -16.379 1.00 0.00 N ATOM 790 CA THR A 73 -20.497 16.607 -15.299 1.00 0.00 C ATOM 791 C THR A 73 -21.708 16.127 -14.484 1.00 0.00 C ATOM 792 O THR A 73 -22.833 16.116 -14.998 1.00 0.00 O ATOM 793 CB THR A 73 -20.772 18.054 -15.850 1.00 0.00 C ATOM 794 OG1 THR A 73 -19.779 18.425 -16.825 1.00 0.00 O ATOM 795 CG2 THR A 73 -20.784 19.105 -14.722 1.00 0.00 C ATOM 0 H THR A 73 -21.136 15.224 -16.723 1.00 0.00 H new ATOM 0 HA THR A 73 -19.601 16.661 -14.681 1.00 0.00 H new ATOM 0 HB THR A 73 -21.757 18.032 -16.316 1.00 0.00 H new ATOM 0 HG1 THR A 73 -19.968 19.327 -17.157 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.977 20.091 -15.145 1.00 0.00 H new ATOM 0 HG22 THR A 73 -21.566 18.859 -14.004 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.817 19.109 -14.219 1.00 0.00 H new ATOM 803 N GLU A 74 -21.467 15.707 -13.235 1.00 0.00 N ATOM 804 CA GLU A 74 -22.500 15.157 -12.344 1.00 0.00 C ATOM 805 C GLU A 74 -22.906 16.194 -11.268 1.00 0.00 C ATOM 806 O GLU A 74 -22.096 17.072 -10.922 1.00 0.00 O ATOM 807 CB GLU A 74 -21.971 13.856 -11.681 1.00 0.00 C ATOM 808 CG GLU A 74 -20.687 14.036 -10.849 1.00 0.00 C ATOM 809 CD GLU A 74 -20.160 12.717 -10.262 1.00 0.00 C ATOM 810 OE1 GLU A 74 -20.777 12.200 -9.307 1.00 0.00 O ATOM 811 OE2 GLU A 74 -19.139 12.190 -10.749 1.00 0.00 O ATOM 0 H GLU A 74 -20.541 15.739 -12.809 1.00 0.00 H new ATOM 0 HA GLU A 74 -23.388 14.923 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.751 13.449 -11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.783 13.117 -12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -19.915 14.482 -11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.883 14.736 -10.037 1.00 0.00 H new ATOM 818 N PRO A 75 -24.185 16.132 -10.752 1.00 0.00 N ATOM 819 CA PRO A 75 -24.645 16.980 -9.628 1.00 0.00 C ATOM 820 C PRO A 75 -23.763 16.790 -8.372 1.00 0.00 C ATOM 821 O PRO A 75 -23.574 15.659 -7.896 1.00 0.00 O ATOM 822 CB PRO A 75 -26.115 16.524 -9.380 1.00 0.00 C ATOM 823 CG PRO A 75 -26.535 15.865 -10.664 1.00 0.00 C ATOM 824 CD PRO A 75 -25.274 15.252 -11.249 1.00 0.00 C ATOM 0 HA PRO A 75 -24.578 18.044 -9.857 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -26.178 15.831 -8.541 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -26.757 17.372 -9.142 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -27.292 15.102 -10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -26.972 16.590 -11.351 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -25.139 14.223 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -25.307 15.234 -12.338 1.00 0.00 H new ATOM 832 N SER A 76 -23.188 17.898 -7.887 1.00 0.00 N ATOM 833 CA SER A 76 -22.351 17.916 -6.682 1.00 0.00 C ATOM 834 C SER A 76 -23.156 18.467 -5.486 1.00 0.00 C ATOM 835 O SER A 76 -23.505 19.650 -5.465 1.00 0.00 O ATOM 836 CB SER A 76 -21.092 18.773 -6.942 1.00 0.00 C ATOM 837 OG SER A 76 -20.375 18.299 -8.079 1.00 0.00 O ATOM 0 H SER A 76 -23.292 18.814 -8.324 1.00 0.00 H new ATOM 0 HA SER A 76 -22.038 16.900 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 76 -21.381 19.812 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.445 18.750 -6.065 1.00 0.00 H new ATOM 0 HG SER A 76 -19.584 18.859 -8.224 1.00 0.00 H new ATOM 843 N GLU A 77 -23.482 17.586 -4.520 1.00 0.00 N ATOM 844 CA GLU A 77 -24.220 17.951 -3.293 1.00 0.00 C ATOM 845 C GLU A 77 -23.280 18.592 -2.242 1.00 0.00 C ATOM 846 O GLU A 77 -23.751 19.222 -1.286 1.00 0.00 O ATOM 847 CB GLU A 77 -24.920 16.706 -2.674 1.00 0.00 C ATOM 848 CG GLU A 77 -26.060 16.070 -3.516 1.00 0.00 C ATOM 849 CD GLU A 77 -25.600 15.454 -4.849 1.00 0.00 C ATOM 850 OE1 GLU A 77 -24.941 14.389 -4.834 1.00 0.00 O ATOM 851 OE2 GLU A 77 -25.888 16.038 -5.916 1.00 0.00 O ATOM 0 H GLU A 77 -23.240 16.596 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 77 -24.978 18.681 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -24.163 15.943 -2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -25.328 16.990 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -26.546 15.297 -2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -26.811 16.832 -3.722 1.00 0.00 H new ATOM 858 N VAL A 78 -21.956 18.405 -2.425 1.00 0.00 N ATOM 859 CA VAL A 78 -20.925 18.933 -1.512 1.00 0.00 C ATOM 860 C VAL A 78 -20.901 20.477 -1.550 1.00 0.00 C ATOM 861 O VAL A 78 -20.506 21.079 -2.561 1.00 0.00 O ATOM 862 CB VAL A 78 -19.494 18.364 -1.868 1.00 0.00 C ATOM 863 CG1 VAL A 78 -18.395 18.903 -0.912 1.00 0.00 C ATOM 864 CG2 VAL A 78 -19.493 16.813 -1.894 1.00 0.00 C ATOM 0 H VAL A 78 -21.573 17.882 -3.213 1.00 0.00 H new ATOM 0 HA VAL A 78 -21.182 18.606 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 78 -19.254 18.720 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.429 18.485 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -18.354 19.990 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -18.630 18.613 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.494 16.454 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -19.783 16.432 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -20.201 16.461 -2.644 1.00 0.00 H new ATOM 874 N GLU A 79 -21.360 21.099 -0.451 1.00 0.00 N ATOM 875 CA GLU A 79 -21.357 22.557 -0.288 1.00 0.00 C ATOM 876 C GLU A 79 -19.917 23.036 -0.031 1.00 0.00 C ATOM 877 O GLU A 79 -19.351 22.751 1.031 1.00 0.00 O ATOM 878 CB GLU A 79 -22.287 22.980 0.889 1.00 0.00 C ATOM 879 CG GLU A 79 -23.759 22.557 0.731 1.00 0.00 C ATOM 880 CD GLU A 79 -24.434 23.168 -0.509 1.00 0.00 C ATOM 881 OE1 GLU A 79 -24.793 24.363 -0.463 1.00 0.00 O ATOM 882 OE2 GLU A 79 -24.616 22.460 -1.525 1.00 0.00 O ATOM 0 H GLU A 79 -21.745 20.600 0.351 1.00 0.00 H new ATOM 0 HA GLU A 79 -21.736 23.019 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -21.898 22.553 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -22.244 24.064 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -23.813 21.470 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -24.313 22.853 1.622 1.00 0.00 H new ATOM 889 N GLY A 80 -19.336 23.735 -1.024 1.00 0.00 N ATOM 890 CA GLY A 80 -17.983 24.296 -0.923 1.00 0.00 C ATOM 891 C GLY A 80 -17.841 25.318 0.200 1.00 0.00 C ATOM 892 O GLY A 80 -16.735 25.504 0.725 1.00 0.00 O ATOM 0 H GLY A 80 -19.793 23.924 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.272 23.486 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.720 24.767 -1.870 1.00 0.00 H new ATOM 896 N SER A 81 -18.979 25.978 0.543 1.00 0.00 N ATOM 897 CA SER A 81 -19.110 26.944 1.668 1.00 0.00 C ATOM 898 C SER A 81 -17.992 28.012 1.646 1.00 0.00 C ATOM 899 O SER A 81 -17.450 28.409 2.689 1.00 0.00 O ATOM 900 CB SER A 81 -19.211 26.201 3.032 1.00 0.00 C ATOM 901 OG SER A 81 -18.079 25.380 3.300 1.00 0.00 O ATOM 0 H SER A 81 -19.853 25.850 0.032 1.00 0.00 H new ATOM 0 HA SER A 81 -20.044 27.489 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 81 -19.320 26.933 3.832 1.00 0.00 H new ATOM 0 HB3 SER A 81 -20.110 25.585 3.039 1.00 0.00 H new ATOM 0 HG SER A 81 -18.193 24.939 4.168 1.00 0.00 H new ATOM 907 N ALA A 82 -17.709 28.500 0.425 1.00 0.00 N ATOM 908 CA ALA A 82 -16.580 29.375 0.125 1.00 0.00 C ATOM 909 C ALA A 82 -17.028 30.837 0.236 1.00 0.00 C ATOM 910 O ALA A 82 -17.238 31.531 -0.769 1.00 0.00 O ATOM 911 CB ALA A 82 -16.024 29.037 -1.272 1.00 0.00 C ATOM 0 H ALA A 82 -18.277 28.287 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.775 29.221 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.181 29.691 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.693 27.999 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.804 29.182 -2.019 1.00 0.00 H new ATOM 917 N ALA A 83 -17.241 31.261 1.486 1.00 0.00 N ATOM 918 CA ALA A 83 -17.673 32.624 1.833 1.00 0.00 C ATOM 919 C ALA A 83 -16.599 33.304 2.705 1.00 0.00 C ATOM 920 O ALA A 83 -16.337 32.850 3.825 1.00 0.00 O ATOM 921 CB ALA A 83 -19.021 32.558 2.570 1.00 0.00 C ATOM 0 H ALA A 83 -17.117 30.659 2.300 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.800 33.216 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -19.344 33.566 2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -19.766 32.093 1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -18.910 31.968 3.480 1.00 0.00 H new ATOM 927 N ASN A 84 -15.973 34.378 2.182 1.00 0.00 N ATOM 928 CA ASN A 84 -14.937 35.149 2.907 1.00 0.00 C ATOM 929 C ASN A 84 -15.262 36.653 2.830 1.00 0.00 C ATOM 930 O ASN A 84 -15.092 37.285 1.776 1.00 0.00 O ATOM 931 CB ASN A 84 -13.531 34.864 2.317 1.00 0.00 C ATOM 932 CG ASN A 84 -12.389 35.434 3.173 1.00 0.00 C ATOM 933 OD1 ASN A 84 -11.978 36.587 3.011 1.00 0.00 O ATOM 934 ND2 ASN A 84 -11.865 34.629 4.086 1.00 0.00 N ATOM 0 H ASN A 84 -16.169 34.736 1.247 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.932 34.840 3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.398 33.787 2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -13.472 35.288 1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.102 34.957 4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.225 33.681 4.197 1.00 0.00 H new ATOM 941 N LYS A 85 -15.778 37.205 3.941 1.00 0.00 N ATOM 942 CA LYS A 85 -16.083 38.642 4.072 1.00 0.00 C ATOM 943 C LYS A 85 -15.047 39.302 4.993 1.00 0.00 C ATOM 944 O LYS A 85 -15.076 39.116 6.223 1.00 0.00 O ATOM 945 CB LYS A 85 -17.517 38.859 4.624 1.00 0.00 C ATOM 946 CG LYS A 85 -17.930 40.345 4.758 1.00 0.00 C ATOM 947 CD LYS A 85 -19.377 40.539 5.266 1.00 0.00 C ATOM 948 CE LYS A 85 -19.726 42.024 5.486 1.00 0.00 C ATOM 949 NZ LYS A 85 -18.882 42.641 6.541 1.00 0.00 N ATOM 0 H LYS A 85 -15.997 36.665 4.778 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.035 39.103 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.226 38.355 3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.593 38.383 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.243 40.845 5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.825 40.832 3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.073 40.107 4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.507 39.995 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.596 42.570 4.552 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.776 42.113 5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.275 43.568 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.865 42.023 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.913 42.764 6.183 1.00 0.00 H new ATOM 963 N GLU A 86 -14.120 40.047 4.383 1.00 0.00 N ATOM 964 CA GLU A 86 -13.082 40.800 5.096 1.00 0.00 C ATOM 965 C GLU A 86 -12.799 42.117 4.352 1.00 0.00 C ATOM 966 O GLU A 86 -12.503 42.090 3.150 1.00 0.00 O ATOM 967 CB GLU A 86 -11.771 39.975 5.201 1.00 0.00 C ATOM 968 CG GLU A 86 -10.627 40.670 5.979 1.00 0.00 C ATOM 969 CD GLU A 86 -9.280 39.937 5.855 1.00 0.00 C ATOM 970 OE1 GLU A 86 -9.022 39.001 6.645 1.00 0.00 O ATOM 971 OE2 GLU A 86 -8.487 40.273 4.945 1.00 0.00 O ATOM 0 H GLU A 86 -14.068 40.146 3.369 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.441 41.011 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.995 39.024 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.420 39.747 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.514 41.690 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.901 40.738 7.032 1.00 0.00 H new ATOM 978 N VAL A 87 -12.923 43.263 5.051 1.00 0.00 N ATOM 979 CA VAL A 87 -12.449 44.562 4.537 1.00 0.00 C ATOM 980 C VAL A 87 -10.929 44.685 4.785 1.00 0.00 C ATOM 981 O VAL A 87 -10.425 44.261 5.834 1.00 0.00 O ATOM 982 CB VAL A 87 -13.223 45.788 5.179 1.00 0.00 C ATOM 983 CG1 VAL A 87 -14.737 45.708 4.859 1.00 0.00 C ATOM 984 CG2 VAL A 87 -12.984 45.905 6.712 1.00 0.00 C ATOM 0 H VAL A 87 -13.349 43.314 5.976 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.653 44.595 3.467 1.00 0.00 H new ATOM 0 HB VAL A 87 -12.818 46.694 4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -15.249 46.558 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -14.882 45.727 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.146 44.782 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -13.536 46.760 7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.328 44.996 7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.920 46.041 6.905 1.00 0.00 H new ATOM 994 N LEU A 88 -10.196 45.248 3.812 1.00 0.00 N ATOM 995 CA LEU A 88 -8.737 45.460 3.915 1.00 0.00 C ATOM 996 C LEU A 88 -8.485 46.917 4.381 1.00 0.00 C ATOM 997 O LEU A 88 -7.639 47.648 3.851 1.00 0.00 O ATOM 998 CB LEU A 88 -8.063 45.123 2.549 1.00 0.00 C ATOM 999 CG LEU A 88 -6.494 45.068 2.538 1.00 0.00 C ATOM 1000 CD1 LEU A 88 -5.949 44.030 3.550 1.00 0.00 C ATOM 1001 CD2 LEU A 88 -5.951 44.795 1.119 1.00 0.00 C ATOM 0 H LEU A 88 -10.595 45.570 2.930 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.288 44.796 4.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.441 44.158 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.384 45.865 1.818 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.137 46.049 2.851 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.860 44.022 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.275 44.296 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.328 43.040 3.296 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.862 44.763 1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.333 43.839 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.274 45.590 0.447 1.00 0.00 H new ATOM 1013 N ALA A 89 -9.242 47.309 5.417 1.00 0.00 N ATOM 1014 CA ALA A 89 -9.224 48.660 5.994 1.00 0.00 C ATOM 1015 C ALA A 89 -9.116 48.570 7.516 1.00 0.00 C ATOM 1016 O ALA A 89 -9.610 47.606 8.127 1.00 0.00 O ATOM 1017 CB ALA A 89 -10.489 49.429 5.586 1.00 0.00 C ATOM 0 H ALA A 89 -9.896 46.683 5.886 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.358 49.201 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.463 50.428 6.020 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.533 49.506 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.370 48.899 5.948 1.00 0.00 H new ATOM 1023 N LYS A 90 -8.464 49.578 8.113 1.00 0.00 N ATOM 1024 CA LYS A 90 -8.245 49.650 9.558 1.00 0.00 C ATOM 1025 C LYS A 90 -9.546 50.083 10.256 1.00 0.00 C ATOM 1026 O LYS A 90 -10.207 51.026 9.810 1.00 0.00 O ATOM 1027 CB LYS A 90 -7.088 50.643 9.870 1.00 0.00 C ATOM 1028 CG LYS A 90 -6.450 50.532 11.285 1.00 0.00 C ATOM 1029 CD LYS A 90 -5.276 49.515 11.396 1.00 0.00 C ATOM 1030 CE LYS A 90 -5.688 48.050 11.186 1.00 0.00 C ATOM 1031 NZ LYS A 90 -4.542 47.113 11.339 1.00 0.00 N ATOM 0 H LYS A 90 -8.073 50.369 7.601 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.961 48.667 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.303 50.498 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.464 51.658 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.088 51.516 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.226 50.249 11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.514 49.775 10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -4.817 49.614 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.467 47.788 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.118 47.935 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.869 46.137 11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.809 47.344 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.147 47.202 12.297 1.00 0.00 H new ATOM 1045 N VAL A 91 -9.900 49.389 11.343 1.00 0.00 N ATOM 1046 CA VAL A 91 -11.195 49.572 12.038 1.00 0.00 C ATOM 1047 C VAL A 91 -11.012 50.384 13.344 1.00 0.00 C ATOM 1048 O VAL A 91 -11.476 49.990 14.424 1.00 0.00 O ATOM 1049 CB VAL A 91 -11.918 48.179 12.275 1.00 0.00 C ATOM 1050 CG1 VAL A 91 -12.427 47.577 10.936 1.00 0.00 C ATOM 1051 CG2 VAL A 91 -10.989 47.169 12.999 1.00 0.00 C ATOM 0 H VAL A 91 -9.302 48.683 11.772 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.854 50.157 11.396 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.777 48.369 12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.918 46.623 11.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.137 48.264 10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.584 47.421 10.263 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.518 46.227 13.144 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.099 46.996 12.395 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.697 47.574 13.968 1.00 0.00 H new ATOM 1061 N ILE A 92 -10.344 51.550 13.201 1.00 0.00 N ATOM 1062 CA ILE A 92 -10.135 52.518 14.309 1.00 0.00 C ATOM 1063 C ILE A 92 -11.489 53.086 14.808 1.00 0.00 C ATOM 1064 O ILE A 92 -11.640 53.409 15.993 1.00 0.00 O ATOM 1065 CB ILE A 92 -9.190 53.704 13.863 1.00 0.00 C ATOM 1066 CG1 ILE A 92 -7.807 53.158 13.391 1.00 0.00 C ATOM 1067 CG2 ILE A 92 -9.008 54.770 14.982 1.00 0.00 C ATOM 1068 CD1 ILE A 92 -6.831 54.204 12.869 1.00 0.00 C ATOM 0 H ILE A 92 -9.934 51.850 12.317 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.654 51.980 15.126 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.677 54.202 13.025 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -7.339 52.634 14.225 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.976 52.421 12.606 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.351 55.563 14.626 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.978 55.193 15.243 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.568 54.302 15.862 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.903 53.718 12.568 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.269 54.714 12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.622 54.930 13.654 1.00 0.00 H new ATOM 1080 N ASP A 93 -12.456 53.197 13.875 1.00 0.00 N ATOM 1081 CA ASP A 93 -13.833 53.635 14.164 1.00 0.00 C ATOM 1082 C ASP A 93 -14.459 52.748 15.250 1.00 0.00 C ATOM 1083 O ASP A 93 -14.853 51.610 14.988 1.00 0.00 O ATOM 1084 CB ASP A 93 -14.679 53.605 12.873 1.00 0.00 C ATOM 1085 CG ASP A 93 -16.169 53.916 13.104 1.00 0.00 C ATOM 1086 OD1 ASP A 93 -16.500 55.079 13.424 1.00 0.00 O ATOM 1087 OD2 ASP A 93 -17.010 52.996 12.964 1.00 0.00 O ATOM 0 H ASP A 93 -12.299 52.982 12.890 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.809 54.659 14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.272 54.327 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.589 52.621 12.413 1.00 0.00 H new ATOM 1092 N LEU A 94 -14.515 53.308 16.457 1.00 0.00 N ATOM 1093 CA LEU A 94 -14.895 52.606 17.698 1.00 0.00 C ATOM 1094 C LEU A 94 -14.948 53.646 18.839 1.00 0.00 C ATOM 1095 O LEU A 94 -15.753 53.511 19.763 1.00 0.00 O ATOM 1096 CB LEU A 94 -13.870 51.448 18.003 1.00 0.00 C ATOM 1097 CG LEU A 94 -14.221 50.387 19.121 1.00 0.00 C ATOM 1098 CD1 LEU A 94 -13.945 50.902 20.560 1.00 0.00 C ATOM 1099 CD2 LEU A 94 -15.685 49.901 18.975 1.00 0.00 C ATOM 0 H LEU A 94 -14.292 54.291 16.611 1.00 0.00 H new ATOM 0 HA LEU A 94 -15.875 52.141 17.596 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.703 50.903 17.074 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -12.922 51.911 18.276 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.552 49.541 18.967 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.207 50.127 21.280 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.888 51.150 20.661 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.546 51.791 20.750 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.906 49.171 19.754 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -16.362 50.750 19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.819 49.439 17.997 1.00 0.00 H new ATOM 1111 N THR A 95 -14.081 54.691 18.734 1.00 0.00 N ATOM 1112 CA THR A 95 -13.962 55.768 19.741 1.00 0.00 C ATOM 1113 C THR A 95 -15.319 56.491 19.967 1.00 0.00 C ATOM 1114 O THR A 95 -15.692 57.404 19.216 1.00 0.00 O ATOM 1115 CB THR A 95 -12.850 56.800 19.323 1.00 0.00 C ATOM 1116 OG1 THR A 95 -13.097 57.278 17.982 1.00 0.00 O ATOM 1117 CG2 THR A 95 -11.436 56.192 19.393 1.00 0.00 C ATOM 0 H THR A 95 -13.446 54.805 17.944 1.00 0.00 H new ATOM 0 HA THR A 95 -13.671 55.305 20.684 1.00 0.00 H new ATOM 0 HB THR A 95 -12.896 57.627 20.032 1.00 0.00 H new ATOM 0 HG1 THR A 95 -14.055 57.453 17.868 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.703 56.942 19.096 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.230 55.867 20.413 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.374 55.337 18.720 1.00 0.00 H new ATOM 1125 N HIS A 96 -16.067 56.015 20.986 1.00 0.00 N ATOM 1126 CA HIS A 96 -17.387 56.557 21.364 1.00 0.00 C ATOM 1127 C HIS A 96 -17.217 57.945 21.994 1.00 0.00 C ATOM 1128 O HIS A 96 -17.998 58.866 21.730 1.00 0.00 O ATOM 1129 CB HIS A 96 -18.103 55.596 22.352 1.00 0.00 C ATOM 1130 CG HIS A 96 -18.260 54.187 21.830 1.00 0.00 C ATOM 1131 ND1 HIS A 96 -17.467 53.134 22.243 1.00 0.00 N ATOM 1132 CD2 HIS A 96 -19.111 53.666 20.915 1.00 0.00 C ATOM 1133 CE1 HIS A 96 -17.831 52.036 21.611 1.00 0.00 C ATOM 1134 NE2 HIS A 96 -18.823 52.333 20.801 1.00 0.00 N ATOM 0 H HIS A 96 -15.767 55.237 21.573 1.00 0.00 H new ATOM 0 HA HIS A 96 -18.003 56.649 20.469 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -17.542 55.567 23.286 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -19.089 55.999 22.585 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -19.876 54.203 20.375 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -17.389 51.059 21.737 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -19.302 51.675 20.186 1.00 0.00 H new ATOM 1143 N ASP A 97 -16.182 58.064 22.834 1.00 0.00 N ATOM 1144 CA ASP A 97 -15.777 59.341 23.449 1.00 0.00 C ATOM 1145 C ASP A 97 -14.929 60.167 22.460 1.00 0.00 C ATOM 1146 O ASP A 97 -14.336 59.616 21.514 1.00 0.00 O ATOM 1147 CB ASP A 97 -14.992 59.082 24.760 1.00 0.00 C ATOM 1148 CG ASP A 97 -13.673 58.316 24.547 1.00 0.00 C ATOM 1149 OD1 ASP A 97 -13.725 57.091 24.276 1.00 0.00 O ATOM 1150 OD2 ASP A 97 -12.587 58.930 24.625 1.00 0.00 O ATOM 0 H ASP A 97 -15.597 57.275 23.110 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.673 59.912 23.693 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -14.775 60.037 25.238 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.623 58.518 25.446 1.00 0.00 H new ATOM 1155 N ASN A 98 -14.892 61.492 22.676 1.00 0.00 N ATOM 1156 CA ASN A 98 -14.115 62.422 21.826 1.00 0.00 C ATOM 1157 C ASN A 98 -12.642 62.480 22.285 1.00 0.00 C ATOM 1158 O ASN A 98 -12.280 61.936 23.333 1.00 0.00 O ATOM 1159 CB ASN A 98 -14.749 63.838 21.842 1.00 0.00 C ATOM 1160 CG ASN A 98 -14.622 64.565 23.187 1.00 0.00 C ATOM 1161 OD1 ASN A 98 -15.457 64.404 24.080 1.00 0.00 O ATOM 1162 ND2 ASN A 98 -13.587 65.391 23.335 1.00 0.00 N ATOM 0 H ASN A 98 -15.394 61.950 23.437 1.00 0.00 H new ATOM 0 HA ASN A 98 -14.139 62.048 20.802 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.279 64.444 21.068 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -15.805 63.755 21.584 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -13.469 65.911 24.205 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -12.912 65.504 22.578 1.00 0.00 H new ATOM 1169 N LYS A 99 -11.808 63.168 21.501 1.00 0.00 N ATOM 1170 CA LYS A 99 -10.378 63.362 21.805 1.00 0.00 C ATOM 1171 C LYS A 99 -10.161 64.789 22.339 1.00 0.00 C ATOM 1172 O LYS A 99 -10.928 65.705 22.015 1.00 0.00 O ATOM 1173 CB LYS A 99 -9.555 63.130 20.508 1.00 0.00 C ATOM 1174 CG LYS A 99 -8.018 63.095 20.699 1.00 0.00 C ATOM 1175 CD LYS A 99 -7.251 62.840 19.380 1.00 0.00 C ATOM 1176 CE LYS A 99 -7.688 61.542 18.680 1.00 0.00 C ATOM 1177 NZ LYS A 99 -6.907 61.283 17.449 1.00 0.00 N ATOM 0 H LYS A 99 -12.103 63.611 20.631 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.050 62.654 22.566 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.871 62.188 20.060 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.799 63.919 19.796 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.689 64.042 21.127 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.764 62.315 21.417 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.407 63.682 18.705 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.182 62.793 19.589 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.571 60.703 19.366 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.747 61.604 18.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.234 60.399 17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.039 62.070 16.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.899 61.197 17.689 1.00 0.00 H new ATOM 1191 N ASP A 100 -9.110 64.977 23.154 1.00 0.00 N ATOM 1192 CA ASP A 100 -8.656 66.308 23.583 1.00 0.00 C ATOM 1193 C ASP A 100 -7.744 66.875 22.476 1.00 0.00 C ATOM 1194 O ASP A 100 -6.526 67.021 22.635 1.00 0.00 O ATOM 1195 CB ASP A 100 -7.949 66.216 24.968 1.00 0.00 C ATOM 1196 CG ASP A 100 -7.616 67.602 25.555 1.00 0.00 C ATOM 1197 OD1 ASP A 100 -8.530 68.250 26.100 1.00 0.00 O ATOM 1198 OD2 ASP A 100 -6.448 68.046 25.461 1.00 0.00 O ATOM 0 H ASP A 100 -8.553 64.211 23.533 1.00 0.00 H new ATOM 0 HA ASP A 100 -9.496 66.989 23.720 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.590 65.675 25.664 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.030 65.638 24.866 1.00 0.00 H new ATOM 1203 N ASP A 101 -8.376 67.125 21.318 1.00 0.00 N ATOM 1204 CA ASP A 101 -7.695 67.475 20.067 1.00 0.00 C ATOM 1205 C ASP A 101 -7.843 68.972 19.795 1.00 0.00 C ATOM 1206 O ASP A 101 -6.889 69.739 19.979 1.00 0.00 O ATOM 1207 CB ASP A 101 -8.279 66.617 18.910 1.00 0.00 C ATOM 1208 CG ASP A 101 -7.695 66.980 17.541 1.00 0.00 C ATOM 1209 OD1 ASP A 101 -6.517 66.663 17.283 1.00 0.00 O ATOM 1210 OD2 ASP A 101 -8.411 67.597 16.722 1.00 0.00 O ATOM 0 H ASP A 101 -9.391 67.088 21.226 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.629 67.260 20.146 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.086 65.564 19.113 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.361 66.743 18.882 1.00 0.00 H new ATOM 1215 N LEU A 102 -9.059 69.382 19.383 1.00 0.00 N ATOM 1216 CA LEU A 102 -9.370 70.789 19.073 1.00 0.00 C ATOM 1217 C LEU A 102 -9.399 71.654 20.342 1.00 0.00 C ATOM 1218 O LEU A 102 -9.264 72.869 20.246 1.00 0.00 O ATOM 1219 CB LEU A 102 -10.664 70.953 18.183 1.00 0.00 C ATOM 1220 CG LEU A 102 -12.096 70.516 18.712 1.00 0.00 C ATOM 1221 CD1 LEU A 102 -12.154 69.036 19.145 1.00 0.00 C ATOM 1222 CD2 LEU A 102 -12.647 71.466 19.805 1.00 0.00 C ATOM 0 H LEU A 102 -9.849 68.749 19.257 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.553 71.164 18.457 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.733 72.008 17.916 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.485 70.402 17.260 1.00 0.00 H new ATOM 0 HG LEU A 102 -12.763 70.609 17.855 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.158 68.799 19.496 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.907 68.399 18.296 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.438 68.864 19.949 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.628 71.118 20.129 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.966 71.475 20.656 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.735 72.474 19.400 1.00 0.00 H new ATOM 1234 N GLN A 103 -9.582 71.027 21.527 1.00 0.00 N ATOM 1235 CA GLN A 103 -9.448 71.730 22.826 1.00 0.00 C ATOM 1236 C GLN A 103 -8.026 72.306 22.958 1.00 0.00 C ATOM 1237 O GLN A 103 -7.849 73.516 23.158 1.00 0.00 O ATOM 1238 CB GLN A 103 -9.731 70.807 24.048 1.00 0.00 C ATOM 1239 CG GLN A 103 -11.198 70.388 24.269 1.00 0.00 C ATOM 1240 CD GLN A 103 -11.641 69.228 23.378 1.00 0.00 C ATOM 1241 OE1 GLN A 103 -12.122 69.427 22.273 1.00 0.00 O ATOM 1242 NE2 GLN A 103 -11.458 68.006 23.840 1.00 0.00 N ATOM 0 H GLN A 103 -9.822 70.039 21.611 1.00 0.00 H new ATOM 0 HA GLN A 103 -10.195 72.524 22.832 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -9.131 69.904 23.939 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -9.382 71.315 24.947 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.334 70.106 25.313 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.845 71.246 24.084 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.054 67.866 24.766 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.720 67.201 23.271 1.00 0.00 H new ATOM 1251 N ALA A 104 -7.032 71.408 22.801 1.00 0.00 N ATOM 1252 CA ALA A 104 -5.603 71.745 22.913 1.00 0.00 C ATOM 1253 C ALA A 104 -5.132 72.609 21.721 1.00 0.00 C ATOM 1254 O ALA A 104 -4.211 73.414 21.866 1.00 0.00 O ATOM 1255 CB ALA A 104 -4.779 70.449 23.018 1.00 0.00 C ATOM 0 H ALA A 104 -7.202 70.424 22.592 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.452 72.338 23.815 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.721 70.696 23.101 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.091 69.890 23.900 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.941 69.842 22.127 1.00 0.00 H new ATOM 1261 N ALA A 105 -5.792 72.429 20.552 1.00 0.00 N ATOM 1262 CA ALA A 105 -5.475 73.172 19.315 1.00 0.00 C ATOM 1263 C ALA A 105 -5.859 74.654 19.438 1.00 0.00 C ATOM 1264 O ALA A 105 -5.039 75.535 19.163 1.00 0.00 O ATOM 1265 CB ALA A 105 -6.174 72.524 18.105 1.00 0.00 C ATOM 0 H ALA A 105 -6.558 71.764 20.443 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.397 73.124 19.160 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.930 73.083 17.202 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.834 71.494 17.997 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.253 72.536 18.259 1.00 0.00 H new ATOM 1271 N ILE A 106 -7.113 74.910 19.860 1.00 0.00 N ATOM 1272 CA ILE A 106 -7.648 76.277 20.043 1.00 0.00 C ATOM 1273 C ILE A 106 -6.921 76.974 21.208 1.00 0.00 C ATOM 1274 O ILE A 106 -6.575 78.155 21.115 1.00 0.00 O ATOM 1275 CB ILE A 106 -9.208 76.254 20.305 1.00 0.00 C ATOM 1276 CG1 ILE A 106 -9.975 75.656 19.076 1.00 0.00 C ATOM 1277 CG2 ILE A 106 -9.761 77.660 20.674 1.00 0.00 C ATOM 1278 CD1 ILE A 106 -9.835 76.430 17.774 1.00 0.00 C ATOM 0 H ILE A 106 -7.785 74.176 20.084 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.473 76.836 19.124 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.378 75.606 21.165 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -9.624 74.637 18.912 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -11.034 75.591 19.327 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.836 77.595 20.845 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.271 78.018 21.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.565 78.354 19.857 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -10.404 75.930 16.990 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -10.216 77.442 17.910 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -8.784 76.473 17.488 1.00 0.00 H new ATOM 1290 N ALA A 107 -6.688 76.211 22.294 1.00 0.00 N ATOM 1291 CA ALA A 107 -5.989 76.710 23.490 1.00 0.00 C ATOM 1292 C ALA A 107 -4.579 77.231 23.138 1.00 0.00 C ATOM 1293 O ALA A 107 -4.234 78.377 23.465 1.00 0.00 O ATOM 1294 CB ALA A 107 -5.943 75.615 24.570 1.00 0.00 C ATOM 0 H ALA A 107 -6.978 75.236 22.365 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.545 77.557 23.892 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.424 75.994 25.450 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.959 75.330 24.842 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -5.413 74.744 24.183 1.00 0.00 H new ATOM 1300 N LEU A 108 -3.809 76.400 22.406 1.00 0.00 N ATOM 1301 CA LEU A 108 -2.429 76.721 21.993 1.00 0.00 C ATOM 1302 C LEU A 108 -2.399 77.864 20.958 1.00 0.00 C ATOM 1303 O LEU A 108 -1.549 78.749 21.049 1.00 0.00 O ATOM 1304 CB LEU A 108 -1.730 75.457 21.418 1.00 0.00 C ATOM 1305 CG LEU A 108 -0.253 75.636 20.910 1.00 0.00 C ATOM 1306 CD1 LEU A 108 0.684 76.170 22.030 1.00 0.00 C ATOM 1307 CD2 LEU A 108 0.293 74.316 20.313 1.00 0.00 C ATOM 0 H LEU A 108 -4.128 75.486 22.085 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.888 77.057 22.877 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.734 74.686 22.189 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.332 75.083 20.590 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.272 76.385 20.119 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.695 76.279 21.637 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.322 77.138 22.376 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.693 75.467 22.863 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.316 74.468 19.969 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.278 73.538 21.076 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.331 74.011 19.472 1.00 0.00 H new ATOM 1319 N SER A 109 -3.345 77.843 19.995 1.00 0.00 N ATOM 1320 CA SER A 109 -3.398 78.834 18.895 1.00 0.00 C ATOM 1321 C SER A 109 -3.696 80.244 19.426 1.00 0.00 C ATOM 1322 O SER A 109 -3.090 81.228 18.985 1.00 0.00 O ATOM 1323 CB SER A 109 -4.454 78.418 17.848 1.00 0.00 C ATOM 1324 OG SER A 109 -4.425 79.250 16.697 1.00 0.00 O ATOM 0 H SER A 109 -4.088 77.146 19.956 1.00 0.00 H new ATOM 0 HA SER A 109 -2.418 78.858 18.418 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.281 77.384 17.551 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.446 78.459 18.299 1.00 0.00 H new ATOM 0 HG SER A 109 -5.107 78.951 16.060 1.00 0.00 H new ATOM 1330 N LEU A 110 -4.627 80.314 20.388 1.00 0.00 N ATOM 1331 CA LEU A 110 -5.029 81.570 21.035 1.00 0.00 C ATOM 1332 C LEU A 110 -4.043 81.949 22.164 1.00 0.00 C ATOM 1333 O LEU A 110 -4.066 83.094 22.628 1.00 0.00 O ATOM 1334 CB LEU A 110 -6.510 81.499 21.540 1.00 0.00 C ATOM 1335 CG LEU A 110 -7.640 81.710 20.460 1.00 0.00 C ATOM 1336 CD1 LEU A 110 -7.530 83.100 19.793 1.00 0.00 C ATOM 1337 CD2 LEU A 110 -7.658 80.591 19.392 1.00 0.00 C ATOM 0 H LEU A 110 -5.125 79.496 20.741 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.988 82.366 20.291 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.664 80.526 22.007 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -6.640 82.250 22.319 1.00 0.00 H new ATOM 0 HG LEU A 110 -8.589 81.658 20.994 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.323 83.213 19.054 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.628 83.876 20.552 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.561 83.192 19.302 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.455 80.786 18.674 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.700 80.568 18.873 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.832 79.630 19.875 1.00 0.00 H new ATOM 1349 N LEU A 111 -3.192 80.992 22.608 1.00 0.00 N ATOM 1350 CA LEU A 111 -2.073 81.290 23.531 1.00 0.00 C ATOM 1351 C LEU A 111 -0.971 82.052 22.756 1.00 0.00 C ATOM 1352 O LEU A 111 -0.477 83.089 23.207 1.00 0.00 O ATOM 1353 CB LEU A 111 -1.536 79.967 24.176 1.00 0.00 C ATOM 1354 CG LEU A 111 -0.745 80.064 25.538 1.00 0.00 C ATOM 1355 CD1 LEU A 111 0.640 80.740 25.399 1.00 0.00 C ATOM 1356 CD2 LEU A 111 -1.603 80.759 26.627 1.00 0.00 C ATOM 0 H LEU A 111 -3.260 80.010 22.342 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.416 81.925 24.348 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.387 79.305 24.333 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.885 79.483 23.448 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.546 79.039 25.850 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.128 80.773 26.373 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.255 80.169 24.704 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.513 81.755 25.022 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -1.036 80.814 27.556 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -1.861 81.766 26.299 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.516 80.186 26.792 1.00 0.00 H new ATOM 1368 N GLU A 112 -0.630 81.536 21.563 1.00 0.00 N ATOM 1369 CA GLU A 112 0.478 82.066 20.733 1.00 0.00 C ATOM 1370 C GLU A 112 0.038 83.256 19.851 1.00 0.00 C ATOM 1371 O GLU A 112 0.870 83.815 19.117 1.00 0.00 O ATOM 1372 CB GLU A 112 1.067 80.941 19.846 1.00 0.00 C ATOM 1373 CG GLU A 112 0.085 80.384 18.796 1.00 0.00 C ATOM 1374 CD GLU A 112 0.694 79.301 17.899 1.00 0.00 C ATOM 1375 OE1 GLU A 112 0.830 78.144 18.348 1.00 0.00 O ATOM 1376 OE2 GLU A 112 1.063 79.610 16.742 1.00 0.00 O ATOM 0 H GLU A 112 -1.111 80.741 21.143 1.00 0.00 H new ATOM 0 HA GLU A 112 1.243 82.434 21.417 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.951 81.322 19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 112 1.398 80.124 20.487 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -0.786 79.973 19.307 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -0.270 81.204 18.172 1.00 0.00 H new ATOM 1383 N SER A 113 -1.268 83.618 19.904 1.00 0.00 N ATOM 1384 CA SER A 113 -1.810 84.817 19.212 1.00 0.00 C ATOM 1385 C SER A 113 -1.032 86.092 19.632 1.00 0.00 C ATOM 1386 O SER A 113 -0.556 86.149 20.774 1.00 0.00 O ATOM 1387 CB SER A 113 -3.319 84.979 19.533 1.00 0.00 C ATOM 1388 OG SER A 113 -4.073 83.895 19.027 1.00 0.00 O ATOM 0 H SER A 113 -1.971 83.092 20.423 1.00 0.00 H new ATOM 0 HA SER A 113 -1.688 84.681 18.137 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.458 85.049 20.612 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.686 85.911 19.104 1.00 0.00 H new ATOM 0 HG SER A 113 -3.523 83.084 19.030 1.00 0.00 H new ATOM 1394 N PRO A 114 -0.888 87.123 18.710 1.00 0.00 N ATOM 1395 CA PRO A 114 -0.060 88.343 18.949 1.00 0.00 C ATOM 1396 C PRO A 114 -0.426 89.061 20.260 1.00 0.00 C ATOM 1397 O PRO A 114 -1.308 89.913 20.289 1.00 0.00 O ATOM 1398 CB PRO A 114 -0.332 89.238 17.697 1.00 0.00 C ATOM 1399 CG PRO A 114 -1.588 88.669 17.095 1.00 0.00 C ATOM 1400 CD PRO A 114 -1.519 87.184 17.366 1.00 0.00 C ATOM 0 HA PRO A 114 0.996 88.100 19.068 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.464 90.283 17.977 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.499 89.199 16.993 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -2.476 89.111 17.546 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.639 88.872 16.025 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.508 86.726 17.362 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -0.924 86.663 16.616 1.00 0.00 H new ATOM 1408 N LYS A 115 0.243 88.661 21.354 1.00 0.00 N ATOM 1409 CA LYS A 115 -0.064 89.156 22.700 1.00 0.00 C ATOM 1410 C LYS A 115 0.460 90.588 22.855 1.00 0.00 C ATOM 1411 O LYS A 115 1.656 90.838 22.685 1.00 0.00 O ATOM 1412 CB LYS A 115 0.535 88.214 23.782 1.00 0.00 C ATOM 1413 CG LYS A 115 0.168 88.584 25.248 1.00 0.00 C ATOM 1414 CD LYS A 115 -1.360 88.545 25.535 1.00 0.00 C ATOM 1415 CE LYS A 115 -1.982 87.146 25.350 1.00 0.00 C ATOM 1416 NZ LYS A 115 -1.398 86.144 26.271 1.00 0.00 N ATOM 0 H LYS A 115 1.009 87.988 21.327 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.145 89.167 22.839 1.00 0.00 H new ATOM 0 HB2 LYS A 115 0.198 87.197 23.584 1.00 0.00 H new ATOM 0 HB3 LYS A 115 1.621 88.215 23.683 1.00 0.00 H new ATOM 0 HG2 LYS A 115 0.674 87.896 25.925 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.545 89.583 25.467 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.539 88.882 26.556 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.865 89.249 24.874 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.058 87.205 25.515 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.835 86.819 24.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.894 85.237 26.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.389 86.017 26.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.500 86.473 27.252 1.00 0.00 H new ATOM 1430 N ILE A 116 -0.445 91.521 23.162 1.00 0.00 N ATOM 1431 CA ILE A 116 -0.108 92.944 23.291 1.00 0.00 C ATOM 1432 C ILE A 116 0.046 93.308 24.787 1.00 0.00 C ATOM 1433 O ILE A 116 -0.550 92.649 25.645 1.00 0.00 O ATOM 1434 CB ILE A 116 -1.210 93.828 22.583 1.00 0.00 C ATOM 1435 CG1 ILE A 116 -0.705 95.280 22.341 1.00 0.00 C ATOM 1436 CG2 ILE A 116 -2.552 93.826 23.353 1.00 0.00 C ATOM 1437 CD1 ILE A 116 0.446 95.374 21.361 1.00 0.00 C ATOM 0 H ILE A 116 -1.430 91.314 23.328 1.00 0.00 H new ATOM 0 HA ILE A 116 0.842 93.145 22.796 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.400 93.371 21.612 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -1.533 95.886 21.973 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.395 95.710 23.293 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -3.275 94.448 22.825 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.931 92.806 23.421 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.396 94.222 24.356 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.741 96.417 21.245 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.291 94.797 21.736 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.135 94.976 20.395 1.00 0.00 H new ATOM 1449 N GLN A 117 0.868 94.330 25.097 1.00 0.00 N ATOM 1450 CA GLN A 117 1.023 94.833 26.485 1.00 0.00 C ATOM 1451 C GLN A 117 0.514 96.275 26.584 1.00 0.00 C ATOM 1452 O GLN A 117 -0.124 96.647 27.576 1.00 0.00 O ATOM 1453 CB GLN A 117 2.495 94.657 27.002 1.00 0.00 C ATOM 1454 CG GLN A 117 3.641 95.283 26.158 1.00 0.00 C ATOM 1455 CD GLN A 117 3.874 96.790 26.389 1.00 0.00 C ATOM 1456 OE1 GLN A 117 3.638 97.316 27.481 1.00 0.00 O ATOM 1457 NE2 GLN A 117 4.370 97.486 25.378 1.00 0.00 N ATOM 0 H GLN A 117 1.436 94.825 24.410 1.00 0.00 H new ATOM 0 HA GLN A 117 0.406 94.230 27.151 1.00 0.00 H new ATOM 0 HB2 GLN A 117 2.550 95.079 28.006 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.692 93.589 27.094 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.566 94.750 26.378 1.00 0.00 H new ATOM 0 HG3 GLN A 117 3.423 95.122 25.102 1.00 0.00 H new ATOM 0 HE21 GLN A 117 4.556 97.028 24.486 1.00 0.00 H new ATOM 0 HE22 GLN A 117 4.566 98.481 25.491 1.00 0.00 H new ATOM 1466 N ALA A 118 0.775 97.060 25.520 1.00 0.00 N ATOM 1467 CA ALA A 118 0.321 98.451 25.403 1.00 0.00 C ATOM 1468 C ALA A 118 0.666 98.984 24.007 1.00 0.00 C ATOM 1469 O ALA A 118 1.825 98.866 23.579 1.00 0.00 O ATOM 1470 CB ALA A 118 0.950 99.358 26.483 1.00 0.00 C ATOM 0 H ALA A 118 1.311 96.739 24.714 1.00 0.00 H new ATOM 0 HA ALA A 118 -0.758 98.466 25.553 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.586 100.378 26.359 1.00 0.00 H new ATOM 0 HB2 ALA A 118 0.673 98.992 27.472 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.035 99.345 26.382 1.00 0.00 H new ATOM 1476 N ASP A 119 -0.347 99.550 23.313 1.00 0.00 N ATOM 1477 CA ASP A 119 -0.203 100.197 21.988 1.00 0.00 C ATOM 1478 C ASP A 119 0.137 99.159 20.894 1.00 0.00 C ATOM 1479 O ASP A 119 1.283 98.721 20.767 1.00 0.00 O ATOM 1480 CB ASP A 119 0.837 101.367 22.036 1.00 0.00 C ATOM 1481 CG ASP A 119 1.050 102.080 20.687 1.00 0.00 C ATOM 1482 OD1 ASP A 119 0.296 103.033 20.377 1.00 0.00 O ATOM 1483 OD2 ASP A 119 1.985 101.706 19.944 1.00 0.00 O ATOM 0 H ASP A 119 -1.305 99.571 23.664 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.164 100.638 21.723 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.509 102.100 22.773 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.793 100.974 22.381 1.00 0.00 H new ATOM 1488 N GLY A 120 -0.886 98.745 20.128 1.00 0.00 N ATOM 1489 CA GLY A 120 -0.712 97.802 19.017 1.00 0.00 C ATOM 1490 C GLY A 120 -2.030 97.189 18.608 1.00 0.00 C ATOM 1491 O GLY A 120 -2.961 97.924 18.273 1.00 0.00 O ATOM 0 H GLY A 120 -1.849 99.053 20.262 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.268 98.318 18.165 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -0.018 97.015 19.310 1.00 0.00 H new ATOM 1495 N ARG A 121 -2.143 95.840 18.688 1.00 0.00 N ATOM 1496 CA ARG A 121 -3.413 95.126 18.385 1.00 0.00 C ATOM 1497 C ARG A 121 -4.449 95.342 19.516 1.00 0.00 C ATOM 1498 O ARG A 121 -5.605 94.917 19.410 1.00 0.00 O ATOM 1499 CB ARG A 121 -3.153 93.611 18.074 1.00 0.00 C ATOM 1500 CG ARG A 121 -2.706 92.715 19.258 1.00 0.00 C ATOM 1501 CD ARG A 121 -3.893 92.129 20.054 1.00 0.00 C ATOM 1502 NE ARG A 121 -3.458 91.246 21.153 1.00 0.00 N ATOM 1503 CZ ARG A 121 -4.264 90.458 21.881 1.00 0.00 C ATOM 1504 NH1 ARG A 121 -5.581 90.481 21.708 1.00 0.00 N ATOM 1505 NH2 ARG A 121 -3.738 89.641 22.796 1.00 0.00 N ATOM 0 H ARG A 121 -1.375 95.225 18.958 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.844 95.553 17.480 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -4.067 93.189 17.657 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -2.391 93.551 17.297 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.093 91.898 18.877 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.077 93.298 19.931 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.490 92.945 20.463 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.539 91.570 19.377 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.463 91.234 21.378 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.993 91.104 21.014 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.180 89.876 22.270 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.728 89.618 22.939 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.346 89.040 23.352 1.00 0.00 H new ATOM 1519 N ASP A 122 -3.982 95.987 20.613 1.00 0.00 N ATOM 1520 CA ASP A 122 -4.827 96.543 21.688 1.00 0.00 C ATOM 1521 C ASP A 122 -5.857 97.535 21.124 1.00 0.00 C ATOM 1522 O ASP A 122 -6.943 97.708 21.693 1.00 0.00 O ATOM 1523 CB ASP A 122 -3.918 97.233 22.744 1.00 0.00 C ATOM 1524 CG ASP A 122 -4.680 97.961 23.867 1.00 0.00 C ATOM 1525 OD1 ASP A 122 -5.155 97.296 24.812 1.00 0.00 O ATOM 1526 OD2 ASP A 122 -4.799 99.204 23.813 1.00 0.00 O ATOM 0 H ASP A 122 -2.986 96.136 20.774 1.00 0.00 H new ATOM 0 HA ASP A 122 -5.381 95.732 22.161 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.268 96.481 23.192 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.273 97.950 22.236 1.00 0.00 H new ATOM 1531 N LEU A 123 -5.500 98.191 20.003 1.00 0.00 N ATOM 1532 CA LEU A 123 -6.398 99.100 19.287 1.00 0.00 C ATOM 1533 C LEU A 123 -7.431 98.262 18.496 1.00 0.00 C ATOM 1534 O LEU A 123 -7.248 97.963 17.308 1.00 0.00 O ATOM 1535 CB LEU A 123 -5.569 100.067 18.374 1.00 0.00 C ATOM 1536 CG LEU A 123 -6.260 101.400 17.883 1.00 0.00 C ATOM 1537 CD1 LEU A 123 -5.223 102.389 17.302 1.00 0.00 C ATOM 1538 CD2 LEU A 123 -7.381 101.150 16.843 1.00 0.00 C ATOM 0 H LEU A 123 -4.579 98.101 19.573 1.00 0.00 H new ATOM 0 HA LEU A 123 -6.947 99.730 19.987 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -4.663 100.340 18.914 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -5.258 99.508 17.492 1.00 0.00 H new ATOM 0 HG LEU A 123 -6.722 101.839 18.767 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -5.730 103.296 16.973 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -4.491 102.641 18.069 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -4.716 101.928 16.454 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -7.818 102.102 16.543 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.962 100.652 15.969 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -8.153 100.519 17.284 1.00 0.00 H new ATOM 1550 N ASN A 124 -8.450 97.795 19.220 1.00 0.00 N ATOM 1551 CA ASN A 124 -9.692 97.243 18.653 1.00 0.00 C ATOM 1552 C ASN A 124 -10.774 98.336 18.703 1.00 0.00 C ATOM 1553 O ASN A 124 -11.831 98.214 18.082 1.00 0.00 O ATOM 1554 CB ASN A 124 -10.147 96.015 19.475 1.00 0.00 C ATOM 1555 CG ASN A 124 -9.106 94.896 19.517 1.00 0.00 C ATOM 1556 OD1 ASN A 124 -8.369 94.677 18.555 1.00 0.00 O ATOM 1557 ND2 ASN A 124 -9.032 94.184 20.632 1.00 0.00 N ATOM 0 H ASN A 124 -8.439 97.788 20.240 1.00 0.00 H new ATOM 0 HA ASN A 124 -9.525 96.927 17.623 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -10.372 96.331 20.494 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -11.072 95.625 19.051 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -8.350 93.430 20.711 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.657 94.390 21.411 1.00 0.00 H new ATOM 1564 N ARG A 125 -10.465 99.408 19.455 1.00 0.00 N ATOM 1565 CA ARG A 125 -11.326 100.573 19.657 1.00 0.00 C ATOM 1566 C ARG A 125 -10.451 101.836 19.617 1.00 0.00 C ATOM 1567 O ARG A 125 -9.230 101.757 19.828 1.00 0.00 O ATOM 1568 CB ARG A 125 -12.095 100.468 21.020 1.00 0.00 C ATOM 1569 CG ARG A 125 -11.245 100.627 22.325 1.00 0.00 C ATOM 1570 CD ARG A 125 -10.216 99.496 22.564 1.00 0.00 C ATOM 1571 NE ARG A 125 -10.848 98.165 22.644 1.00 0.00 N ATOM 1572 CZ ARG A 125 -10.248 97.036 23.071 1.00 0.00 C ATOM 1573 NH1 ARG A 125 -8.999 97.046 23.529 1.00 0.00 N ATOM 1574 NH2 ARG A 125 -10.918 95.900 23.045 1.00 0.00 N ATOM 0 H ARG A 125 -9.578 99.483 19.953 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.075 100.620 18.866 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -12.876 101.228 21.029 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -12.593 99.499 21.055 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -10.716 101.579 22.285 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -11.920 100.673 23.180 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -9.484 99.499 21.757 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.673 99.693 23.488 1.00 0.00 H new ATOM 0 HE ARG A 125 -11.822 98.093 22.351 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.475 97.920 23.562 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.565 96.179 23.847 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.879 95.883 22.704 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.475 95.039 23.365 1.00 0.00 H new ATOM 1588 N MET A 126 -11.066 102.989 19.332 1.00 0.00 N ATOM 1589 CA MET A 126 -10.380 104.294 19.339 1.00 0.00 C ATOM 1590 C MET A 126 -11.028 105.204 20.385 1.00 0.00 C ATOM 1591 O MET A 126 -12.001 105.913 20.096 1.00 0.00 O ATOM 1592 CB MET A 126 -10.400 104.939 17.920 1.00 0.00 C ATOM 1593 CG MET A 126 -9.461 104.260 16.910 1.00 0.00 C ATOM 1594 SD MET A 126 -9.435 105.069 15.291 1.00 0.00 S ATOM 1595 CE MET A 126 -8.108 104.170 14.466 1.00 0.00 C ATOM 0 H MET A 126 -12.055 103.048 19.089 1.00 0.00 H new ATOM 0 HA MET A 126 -9.333 104.151 19.608 1.00 0.00 H new ATOM 0 HB2 MET A 126 -11.418 104.907 17.532 1.00 0.00 H new ATOM 0 HB3 MET A 126 -10.125 105.990 18.006 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.450 104.248 17.317 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.766 103.221 16.783 1.00 0.00 H new ATOM 0 HE1 MET A 126 -7.977 104.560 13.457 1.00 0.00 H new ATOM 0 HE2 MET A 126 -7.181 104.294 15.026 1.00 0.00 H new ATOM 0 HE3 MET A 126 -8.362 103.111 14.416 1.00 0.00 H new ATOM 1605 N HIS A 127 -10.510 105.128 21.627 1.00 0.00 N ATOM 1606 CA HIS A 127 -10.943 105.993 22.729 1.00 0.00 C ATOM 1607 C HIS A 127 -10.080 107.264 22.740 1.00 0.00 C ATOM 1608 O HIS A 127 -8.847 107.186 22.643 1.00 0.00 O ATOM 1609 CB HIS A 127 -10.902 105.239 24.095 1.00 0.00 C ATOM 1610 CG HIS A 127 -9.585 104.575 24.472 1.00 0.00 C ATOM 1611 ND1 HIS A 127 -9.444 103.204 24.575 1.00 0.00 N ATOM 1612 CD2 HIS A 127 -8.377 105.088 24.838 1.00 0.00 C ATOM 1613 CE1 HIS A 127 -8.225 102.916 24.983 1.00 0.00 C ATOM 1614 NE2 HIS A 127 -7.559 104.036 25.148 1.00 0.00 N ATOM 0 H HIS A 127 -9.781 104.464 21.888 1.00 0.00 H new ATOM 0 HA HIS A 127 -11.983 106.282 22.575 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -11.163 105.947 24.882 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -11.678 104.473 24.084 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -8.113 106.135 24.876 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -7.837 101.923 25.154 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -6.590 104.110 25.457 1.00 0.00 H new ATOM 1623 N GLU A 128 -10.739 108.426 22.819 1.00 0.00 N ATOM 1624 CA GLU A 128 -10.082 109.741 22.785 1.00 0.00 C ATOM 1625 C GLU A 128 -10.999 110.797 23.431 1.00 0.00 C ATOM 1626 O GLU A 128 -12.225 110.772 23.247 1.00 0.00 O ATOM 1627 CB GLU A 128 -9.712 110.123 21.321 1.00 0.00 C ATOM 1628 CG GLU A 128 -10.902 110.196 20.340 1.00 0.00 C ATOM 1629 CD GLU A 128 -10.462 110.410 18.882 1.00 0.00 C ATOM 1630 OE1 GLU A 128 -10.114 111.554 18.521 1.00 0.00 O ATOM 1631 OE2 GLU A 128 -10.431 109.434 18.100 1.00 0.00 O ATOM 0 H GLU A 128 -11.753 108.482 22.909 1.00 0.00 H new ATOM 0 HA GLU A 128 -9.156 109.699 23.358 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -9.210 111.090 21.331 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.994 109.395 20.943 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.480 109.274 20.408 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -11.563 111.010 20.638 1.00 0.00 H new ATOM 1638 N ALA A 129 -10.393 111.702 24.217 1.00 0.00 N ATOM 1639 CA ALA A 129 -11.099 112.784 24.920 1.00 0.00 C ATOM 1640 C ALA A 129 -10.868 114.107 24.179 1.00 0.00 C ATOM 1641 O ALA A 129 -9.729 114.583 24.092 1.00 0.00 O ATOM 1642 CB ALA A 129 -10.604 112.866 26.380 1.00 0.00 C ATOM 0 H ALA A 129 -9.387 111.702 24.384 1.00 0.00 H new ATOM 0 HA ALA A 129 -12.170 112.581 24.937 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.129 113.669 26.898 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.800 111.920 26.884 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.533 113.068 26.390 1.00 0.00 H new ATOM 1648 N THR A 130 -11.941 114.669 23.606 1.00 0.00 N ATOM 1649 CA THR A 130 -11.885 115.966 22.922 1.00 0.00 C ATOM 1650 C THR A 130 -12.314 117.095 23.897 1.00 0.00 C ATOM 1651 O THR A 130 -13.472 117.175 24.324 1.00 0.00 O ATOM 1652 CB THR A 130 -12.738 115.963 21.602 1.00 0.00 C ATOM 1653 OG1 THR A 130 -12.666 117.248 20.965 1.00 0.00 O ATOM 1654 CG2 THR A 130 -14.209 115.561 21.820 1.00 0.00 C ATOM 0 H THR A 130 -12.866 114.240 23.604 1.00 0.00 H new ATOM 0 HA THR A 130 -10.856 116.156 22.617 1.00 0.00 H new ATOM 0 HB THR A 130 -12.303 115.200 20.956 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.199 117.236 20.143 1.00 0.00 H new ATOM 0 HG21 THR A 130 -14.737 115.581 20.867 1.00 0.00 H new ATOM 0 HG22 THR A 130 -14.253 114.555 22.238 1.00 0.00 H new ATOM 0 HG23 THR A 130 -14.679 116.262 22.510 1.00 0.00 H new ATOM 1662 N SER A 131 -11.337 117.925 24.295 1.00 0.00 N ATOM 1663 CA SER A 131 -11.558 119.100 25.159 1.00 0.00 C ATOM 1664 C SER A 131 -11.221 120.377 24.375 1.00 0.00 C ATOM 1665 O SER A 131 -10.244 120.405 23.613 1.00 0.00 O ATOM 1666 CB SER A 131 -10.686 118.995 26.432 1.00 0.00 C ATOM 1667 OG SER A 131 -10.877 120.102 27.300 1.00 0.00 O ATOM 0 H SER A 131 -10.361 117.800 24.025 1.00 0.00 H new ATOM 0 HA SER A 131 -12.604 119.137 25.465 1.00 0.00 H new ATOM 0 HB2 SER A 131 -10.927 118.073 26.962 1.00 0.00 H new ATOM 0 HB3 SER A 131 -9.635 118.934 26.148 1.00 0.00 H new ATOM 0 HG SER A 131 -10.310 119.998 28.093 1.00 0.00 H new ATOM 1673 N ALA A 132 -12.027 121.430 24.573 1.00 0.00 N ATOM 1674 CA ALA A 132 -11.857 122.717 23.887 1.00 0.00 C ATOM 1675 C ALA A 132 -12.077 123.875 24.891 1.00 0.00 C ATOM 1676 O ALA A 132 -11.085 124.515 25.307 1.00 0.00 O ATOM 1677 CB ALA A 132 -12.813 122.807 22.679 1.00 0.00 C ATOM 1678 OXT ALA A 132 -13.235 124.108 25.302 1.00 0.00 O ATOM 0 H ALA A 132 -12.818 121.412 25.216 1.00 0.00 H new ATOM 0 HA ALA A 132 -10.841 122.798 23.501 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -12.678 123.766 22.178 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -12.594 121.999 21.981 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -13.844 122.720 23.023 1.00 0.00 H new TER 1684 ALA A 132