USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 856 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 75 TYR OH : rot 71:sc= -5.03! USER MOD Set 1.2: A 84 HIS : no HD1:sc= -7.71! C(o=-17!,f=-24!) USER MOD Set 1.3: A 88 THR OG1 : rot 148:sc= -3.84! USER MOD Set 2.1: A 57 CYS SG : rot -124:sc= 0.425 USER MOD Set 2.2: A 85 TYR OH : rot 99:sc= -6.91! USER MOD Single : A 1 GLU N :NH3+ -129:sc= 0.0546 (180deg=-0.308) USER MOD Single : A 5 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.34) USER MOD Single : A 6 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0.056) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 46:sc= -4.52! USER MOD Single : A 12 ASN : amide:sc=-0.00939 K(o=-0.0094,f=-0.57) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -120:sc= -0.187 USER MOD Single : A 17 ASN : amide:sc= 0.157 K(o=0.16,f=-6.2!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.033) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.215 (180deg=0.113) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 71:sc= -0.964 USER MOD Single : A 39 SER OG : rot -83:sc= -0.0594! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.0571 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 171:sc= -19.2! USER MOD Single : A 47 SER OG : rot -118:sc= -7.34! USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -2.15 (180deg=-3.27!) USER MOD Single : A 56 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-6.6!) USER MOD Single : A 60 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.7!) USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= -2.29! (180deg=-4.83!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -4.99! C(o=-5!,f=-14!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0544 K(o=-0.054,f=-2.1) USER MOD Single : A 87 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=-0.091) USER MOD Single : A 89 SER OG : rot 170:sc= -2.23! USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.17) USER MOD Single : A 96 SER OG : rot -18:sc= 0.601 USER MOD Single : A 98 ASN : amide:sc= -1.65! K(o=-1.6!,f=-0.053) USER MOD Single : A 100 THR OG1 : rot 20:sc= 0.403 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 97.252 -3.429 -17.716 1.00 0.00 N ATOM 2 CA GLU A 1 96.027 -3.872 -18.434 1.00 0.00 C ATOM 3 C GLU A 1 94.817 -3.145 -17.861 1.00 0.00 C ATOM 4 O GLU A 1 94.925 -2.062 -17.324 1.00 0.00 O ATOM 5 CB GLU A 1 95.849 -5.383 -18.253 1.00 0.00 C ATOM 6 CG GLU A 1 96.987 -6.110 -18.970 1.00 0.00 C ATOM 7 CD GLU A 1 96.768 -7.621 -18.889 1.00 0.00 C ATOM 8 OE1 GLU A 1 95.889 -8.037 -18.153 1.00 0.00 O ATOM 9 OE2 GLU A 1 97.484 -8.339 -19.568 1.00 0.00 O ATOM 0 H1 GLU A 1 97.975 -3.142 -18.407 1.00 0.00 H new ATOM 0 H2 GLU A 1 97.021 -2.623 -17.101 1.00 0.00 H new ATOM 0 H3 GLU A 1 97.618 -4.212 -17.137 1.00 0.00 H new ATOM 0 HA GLU A 1 96.121 -3.643 -19.495 1.00 0.00 H new ATOM 0 HB2 GLU A 1 95.849 -5.637 -17.193 1.00 0.00 H new ATOM 0 HB3 GLU A 1 94.887 -5.699 -18.657 1.00 0.00 H new ATOM 0 HG2 GLU A 1 97.032 -5.795 -20.013 1.00 0.00 H new ATOM 0 HG3 GLU A 1 97.942 -5.847 -18.516 1.00 0.00 H new ATOM 15 N ASP A 2 93.666 -3.736 -17.961 1.00 0.00 N ATOM 16 CA ASP A 2 92.452 -3.087 -17.412 1.00 0.00 C ATOM 17 C ASP A 2 92.566 -3.035 -15.888 1.00 0.00 C ATOM 18 O ASP A 2 93.107 -3.928 -15.268 1.00 0.00 O ATOM 19 CB ASP A 2 91.224 -3.912 -17.811 1.00 0.00 C ATOM 20 CG ASP A 2 90.949 -3.740 -19.306 1.00 0.00 C ATOM 21 OD1 ASP A 2 91.310 -2.703 -19.839 1.00 0.00 O ATOM 22 OD2 ASP A 2 90.376 -4.643 -19.892 1.00 0.00 O ATOM 0 H ASP A 2 93.513 -4.644 -18.401 1.00 0.00 H new ATOM 0 HA ASP A 2 92.353 -2.075 -17.805 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.391 -4.964 -17.581 1.00 0.00 H new ATOM 0 HB3 ASP A 2 90.357 -3.593 -17.233 1.00 0.00 H new ATOM 27 N LEU A 3 92.055 -2.003 -15.277 1.00 0.00 N ATOM 28 CA LEU A 3 92.130 -1.911 -13.794 1.00 0.00 C ATOM 29 C LEU A 3 90.838 -2.488 -13.213 1.00 0.00 C ATOM 30 O LEU A 3 89.766 -2.270 -13.742 1.00 0.00 O ATOM 31 CB LEU A 3 92.289 -0.448 -13.375 1.00 0.00 C ATOM 32 CG LEU A 3 93.628 0.083 -13.896 1.00 0.00 C ATOM 33 CD1 LEU A 3 93.679 1.602 -13.715 1.00 0.00 C ATOM 34 CD2 LEU A 3 94.783 -0.566 -13.122 1.00 0.00 C ATOM 0 H LEU A 3 91.590 -1.222 -15.739 1.00 0.00 H new ATOM 0 HA LEU A 3 92.988 -2.472 -13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.468 0.148 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.248 -0.362 -12.289 1.00 0.00 H new ATOM 0 HG LEU A 3 93.725 -0.162 -14.954 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.632 1.981 -14.085 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.864 2.062 -14.273 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.578 1.846 -12.657 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.732 -0.184 -13.497 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.690 -0.328 -12.062 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.748 -1.647 -13.256 1.00 0.00 H new ATOM 46 N PRO A 4 90.935 -3.233 -12.149 1.00 0.00 N ATOM 47 CA PRO A 4 89.753 -3.874 -11.507 1.00 0.00 C ATOM 48 C PRO A 4 88.824 -2.848 -10.858 1.00 0.00 C ATOM 49 O PRO A 4 87.777 -3.181 -10.338 1.00 0.00 O ATOM 50 CB PRO A 4 90.366 -4.810 -10.467 1.00 0.00 C ATOM 51 CG PRO A 4 91.707 -4.234 -10.159 1.00 0.00 C ATOM 52 CD PRO A 4 92.181 -3.534 -11.430 1.00 0.00 C ATOM 0 HA PRO A 4 89.125 -4.397 -12.229 1.00 0.00 H new ATOM 0 HB2 PRO A 4 89.746 -4.863 -9.572 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.454 -5.825 -10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 4 91.645 -3.530 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.406 -5.016 -9.863 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.741 -2.627 -11.202 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.838 -4.175 -12.018 1.00 0.00 H new ATOM 60 N HIS A 5 89.202 -1.604 -10.894 1.00 0.00 N ATOM 61 CA HIS A 5 88.345 -0.547 -10.293 1.00 0.00 C ATOM 62 C HIS A 5 87.054 -0.435 -11.105 1.00 0.00 C ATOM 63 O HIS A 5 86.007 -0.097 -10.588 1.00 0.00 O ATOM 64 CB HIS A 5 89.091 0.786 -10.310 1.00 0.00 C ATOM 65 CG HIS A 5 90.231 0.724 -9.329 1.00 0.00 C ATOM 66 ND1 HIS A 5 90.044 0.362 -8.005 1.00 0.00 N ATOM 67 CD2 HIS A 5 91.577 0.958 -9.468 1.00 0.00 C ATOM 68 CE1 HIS A 5 91.246 0.384 -7.406 1.00 0.00 C ATOM 69 NE2 HIS A 5 92.216 0.743 -8.252 1.00 0.00 N ATOM 0 H HIS A 5 90.070 -1.272 -11.315 1.00 0.00 H new ATOM 0 HA HIS A 5 88.105 -0.804 -9.261 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.468 0.994 -11.312 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.414 1.599 -10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.065 1.263 -10.382 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.409 0.141 -6.366 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.211 0.839 -8.049 1.00 0.00 H new ATOM 77 N HIS A 6 87.120 -0.730 -12.376 1.00 0.00 N ATOM 78 CA HIS A 6 85.901 -0.661 -13.231 1.00 0.00 C ATOM 79 C HIS A 6 84.895 -1.693 -12.715 1.00 0.00 C ATOM 80 O HIS A 6 83.705 -1.591 -12.934 1.00 0.00 O ATOM 81 CB HIS A 6 86.293 -0.976 -14.681 1.00 0.00 C ATOM 82 CG HIS A 6 87.168 0.133 -15.208 1.00 0.00 C ATOM 83 ND1 HIS A 6 86.646 1.292 -15.760 1.00 0.00 N ATOM 84 CD2 HIS A 6 88.532 0.281 -15.249 1.00 0.00 C ATOM 85 CE1 HIS A 6 87.681 2.081 -16.103 1.00 0.00 C ATOM 86 NE2 HIS A 6 88.855 1.511 -15.813 1.00 0.00 N ATOM 0 H HIS A 6 87.971 -1.017 -12.860 1.00 0.00 H new ATOM 0 HA HIS A 6 85.454 0.333 -13.194 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.822 -1.928 -14.729 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.400 -1.076 -15.298 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.247 -0.448 -14.896 1.00 0.00 H new ATOM 0 HE1 HIS A 6 87.576 3.055 -16.557 1.00 0.00 H new ATOM 0 HE2 HIS A 6 89.787 1.895 -15.971 1.00 0.00 H new ATOM 94 N ASP A 7 85.384 -2.686 -12.017 1.00 0.00 N ATOM 95 CA ASP A 7 84.495 -3.744 -11.463 1.00 0.00 C ATOM 96 C ASP A 7 84.059 -3.385 -10.041 1.00 0.00 C ATOM 97 O ASP A 7 84.868 -3.237 -9.147 1.00 0.00 O ATOM 98 CB ASP A 7 85.253 -5.069 -11.442 1.00 0.00 C ATOM 99 CG ASP A 7 85.402 -5.590 -12.871 1.00 0.00 C ATOM 100 OD1 ASP A 7 84.626 -5.170 -13.713 1.00 0.00 O ATOM 101 OD2 ASP A 7 86.288 -6.396 -13.100 1.00 0.00 O ATOM 0 H ASP A 7 86.375 -2.808 -11.806 1.00 0.00 H new ATOM 0 HA ASP A 7 83.607 -3.829 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 7 86.235 -4.932 -10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.719 -5.797 -10.831 1.00 0.00 H new ATOM 106 N GLU A 8 82.779 -3.255 -9.832 1.00 0.00 N ATOM 107 CA GLU A 8 82.259 -2.914 -8.484 1.00 0.00 C ATOM 108 C GLU A 8 82.472 -4.100 -7.539 1.00 0.00 C ATOM 109 O GLU A 8 82.810 -3.938 -6.383 1.00 0.00 O ATOM 110 CB GLU A 8 80.757 -2.616 -8.595 1.00 0.00 C ATOM 111 CG GLU A 8 80.248 -2.061 -7.266 1.00 0.00 C ATOM 112 CD GLU A 8 78.852 -1.456 -7.448 1.00 0.00 C ATOM 113 OE1 GLU A 8 78.435 -1.299 -8.583 1.00 0.00 O ATOM 114 OE2 GLU A 8 78.221 -1.160 -6.444 1.00 0.00 O ATOM 0 H GLU A 8 82.064 -3.373 -10.549 1.00 0.00 H new ATOM 0 HA GLU A 8 82.785 -2.043 -8.093 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.576 -1.897 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.213 -3.525 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.214 -2.855 -6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 8 80.936 -1.302 -6.893 1.00 0.00 H new ATOM 121 N LYS A 9 82.252 -5.290 -8.028 1.00 0.00 N ATOM 122 CA LYS A 9 82.404 -6.505 -7.175 1.00 0.00 C ATOM 123 C LYS A 9 83.857 -6.689 -6.714 1.00 0.00 C ATOM 124 O LYS A 9 84.119 -7.368 -5.739 1.00 0.00 O ATOM 125 CB LYS A 9 81.953 -7.729 -7.978 1.00 0.00 C ATOM 126 CG LYS A 9 82.893 -7.944 -9.169 1.00 0.00 C ATOM 127 CD LYS A 9 82.094 -7.937 -10.477 1.00 0.00 C ATOM 128 CE LYS A 9 81.603 -6.520 -10.782 1.00 0.00 C ATOM 129 NZ LYS A 9 81.048 -6.481 -12.165 1.00 0.00 N ATOM 0 H LYS A 9 81.971 -5.475 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 9 81.788 -6.388 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 9 81.951 -8.613 -7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 9 80.931 -7.588 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.650 -7.160 -9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 9 83.420 -8.892 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 9 82.717 -8.299 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 9 81.245 -8.616 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 9 80.840 -6.224 -10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 9 82.424 -5.809 -10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 80.713 -5.520 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 81.789 -6.747 -12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 80.254 -7.149 -12.239 1.00 0.00 H new ATOM 143 N THR A 10 84.803 -6.095 -7.388 1.00 0.00 N ATOM 144 CA THR A 10 86.227 -6.252 -6.960 1.00 0.00 C ATOM 145 C THR A 10 86.436 -5.625 -5.580 1.00 0.00 C ATOM 146 O THR A 10 87.181 -6.132 -4.758 1.00 0.00 O ATOM 147 CB THR A 10 87.151 -5.582 -7.975 1.00 0.00 C ATOM 148 OG1 THR A 10 86.612 -4.327 -8.351 1.00 0.00 O ATOM 149 CG2 THR A 10 87.291 -6.483 -9.205 1.00 0.00 C ATOM 0 H THR A 10 84.656 -5.511 -8.211 1.00 0.00 H new ATOM 0 HA THR A 10 86.462 -7.315 -6.906 1.00 0.00 H new ATOM 0 HB THR A 10 88.134 -5.427 -7.531 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.318 -3.844 -7.550 1.00 0.00 H new ATOM 0 HG21 THR A 10 87.950 -6.007 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.712 -7.443 -8.907 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.310 -6.641 -9.654 1.00 0.00 H new ATOM 157 N TRP A 11 85.793 -4.528 -5.312 1.00 0.00 N ATOM 158 CA TRP A 11 85.968 -3.878 -3.985 1.00 0.00 C ATOM 159 C TRP A 11 84.625 -3.816 -3.257 1.00 0.00 C ATOM 160 O TRP A 11 84.567 -3.570 -2.072 1.00 0.00 O ATOM 161 CB TRP A 11 86.511 -2.460 -4.178 1.00 0.00 C ATOM 162 CG TRP A 11 86.128 -1.964 -5.532 1.00 0.00 C ATOM 163 CD1 TRP A 11 86.694 -2.381 -6.680 1.00 0.00 C ATOM 164 CD2 TRP A 11 85.118 -0.980 -5.906 1.00 0.00 C ATOM 165 NE1 TRP A 11 86.099 -1.732 -7.739 1.00 0.00 N ATOM 166 CE2 TRP A 11 85.122 -0.851 -7.316 1.00 0.00 C ATOM 167 CE3 TRP A 11 84.208 -0.196 -5.173 1.00 0.00 C ATOM 168 CZ2 TRP A 11 84.258 0.026 -7.973 1.00 0.00 C ATOM 169 CZ3 TRP A 11 83.337 0.688 -5.832 1.00 0.00 C ATOM 170 CH2 TRP A 11 83.361 0.797 -7.230 1.00 0.00 C ATOM 0 H TRP A 11 85.155 -4.053 -5.951 1.00 0.00 H new ATOM 0 HA TRP A 11 86.672 -4.460 -3.390 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.112 -1.798 -3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.596 -2.456 -4.070 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.488 -3.109 -6.758 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.349 -1.883 -8.716 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.179 -0.274 -4.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.283 0.108 -9.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.645 1.287 -5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.687 1.476 -7.731 1.00 0.00 H new ATOM 181 N ASN A 12 83.551 -4.030 -3.958 1.00 0.00 N ATOM 182 CA ASN A 12 82.210 -3.972 -3.312 1.00 0.00 C ATOM 183 C ASN A 12 81.812 -5.348 -2.773 1.00 0.00 C ATOM 184 O ASN A 12 81.688 -6.308 -3.509 1.00 0.00 O ATOM 185 CB ASN A 12 81.185 -3.521 -4.350 1.00 0.00 C ATOM 186 CG ASN A 12 79.852 -3.223 -3.666 1.00 0.00 C ATOM 187 OD1 ASN A 12 79.814 -2.593 -2.627 1.00 0.00 O ATOM 188 ND2 ASN A 12 78.747 -3.654 -4.210 1.00 0.00 N ATOM 0 H ASN A 12 83.542 -4.244 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 12 82.244 -3.269 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.545 -2.632 -4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.052 -4.297 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 12 77.850 -3.462 -3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 12 78.780 -4.182 -5.082 1.00 0.00 H new ATOM 195 N VAL A 13 81.588 -5.442 -1.490 1.00 0.00 N ATOM 196 CA VAL A 13 81.169 -6.737 -0.890 1.00 0.00 C ATOM 197 C VAL A 13 80.065 -6.463 0.133 1.00 0.00 C ATOM 198 O VAL A 13 79.990 -7.091 1.172 1.00 0.00 O ATOM 199 CB VAL A 13 82.359 -7.408 -0.199 1.00 0.00 C ATOM 200 CG1 VAL A 13 83.422 -7.766 -1.235 1.00 0.00 C ATOM 201 CG2 VAL A 13 82.964 -6.460 0.836 1.00 0.00 C ATOM 0 H VAL A 13 81.679 -4.671 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 13 80.802 -7.403 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 13 82.013 -8.314 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.267 -8.243 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.998 -8.451 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.761 -6.860 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.810 -6.945 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.303 -5.550 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.211 -6.208 1.583 1.00 0.00 H new ATOM 211 N GLY A 14 79.217 -5.514 -0.156 1.00 0.00 N ATOM 212 CA GLY A 14 78.116 -5.167 0.789 1.00 0.00 C ATOM 213 C GLY A 14 77.368 -6.431 1.216 1.00 0.00 C ATOM 214 O GLY A 14 76.895 -6.534 2.332 1.00 0.00 O ATOM 0 H GLY A 14 79.239 -4.960 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.524 -4.664 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.426 -4.470 0.314 1.00 0.00 H new ATOM 218 N SER A 15 77.252 -7.396 0.347 1.00 0.00 N ATOM 219 CA SER A 15 76.538 -8.647 0.728 1.00 0.00 C ATOM 220 C SER A 15 77.297 -9.327 1.867 1.00 0.00 C ATOM 221 O SER A 15 76.718 -9.983 2.711 1.00 0.00 O ATOM 222 CB SER A 15 76.481 -9.592 -0.473 1.00 0.00 C ATOM 223 OG SER A 15 77.805 -9.926 -0.863 1.00 0.00 O ATOM 0 H SER A 15 77.618 -7.374 -0.605 1.00 0.00 H new ATOM 0 HA SER A 15 75.524 -8.406 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 75.926 -10.494 -0.216 1.00 0.00 H new ATOM 0 HB3 SER A 15 75.953 -9.118 -1.300 1.00 0.00 H new ATOM 0 HG SER A 15 77.776 -10.533 -1.632 1.00 0.00 H new ATOM 229 N SER A 16 78.596 -9.184 1.889 1.00 0.00 N ATOM 230 CA SER A 16 79.408 -9.826 2.963 1.00 0.00 C ATOM 231 C SER A 16 78.991 -9.269 4.330 1.00 0.00 C ATOM 232 O SER A 16 78.762 -8.086 4.490 1.00 0.00 O ATOM 233 CB SER A 16 80.896 -9.544 2.718 1.00 0.00 C ATOM 234 OG SER A 16 81.671 -10.233 3.689 1.00 0.00 O ATOM 0 H SER A 16 79.131 -8.648 1.206 1.00 0.00 H new ATOM 0 HA SER A 16 79.239 -10.903 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 16 81.179 -9.866 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.089 -8.473 2.775 1.00 0.00 H new ATOM 0 HG SER A 16 82.196 -9.587 4.206 1.00 0.00 H new ATOM 240 N ASN A 17 78.889 -10.120 5.317 1.00 0.00 N ATOM 241 CA ASN A 17 78.485 -9.663 6.683 1.00 0.00 C ATOM 242 C ASN A 17 79.697 -9.086 7.418 1.00 0.00 C ATOM 243 O ASN A 17 80.826 -9.301 7.027 1.00 0.00 O ATOM 244 CB ASN A 17 77.949 -10.863 7.468 1.00 0.00 C ATOM 245 CG ASN A 17 77.337 -10.398 8.791 1.00 0.00 C ATOM 246 OD1 ASN A 17 77.105 -9.222 8.997 1.00 0.00 O ATOM 247 ND2 ASN A 17 77.063 -11.290 9.706 1.00 0.00 N ATOM 0 H ASN A 17 79.069 -11.121 5.236 1.00 0.00 H new ATOM 0 HA ASN A 17 77.717 -8.894 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 17 77.199 -11.388 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.756 -11.570 7.661 1.00 0.00 H new ATOM 0 HD21 ASN A 17 76.654 -11.000 10.594 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.258 -12.276 9.532 1.00 0.00 H new ATOM 254 N ARG A 18 79.471 -8.356 8.480 1.00 0.00 N ATOM 255 CA ARG A 18 80.616 -7.766 9.233 1.00 0.00 C ATOM 256 C ARG A 18 81.563 -8.883 9.679 1.00 0.00 C ATOM 257 O ARG A 18 82.766 -8.776 9.543 1.00 0.00 O ATOM 258 CB ARG A 18 80.088 -7.016 10.459 1.00 0.00 C ATOM 259 CG ARG A 18 79.381 -5.736 10.009 1.00 0.00 C ATOM 260 CD ARG A 18 78.976 -4.922 11.238 1.00 0.00 C ATOM 261 NE ARG A 18 80.213 -4.445 11.920 1.00 0.00 N ATOM 262 CZ ARG A 18 80.151 -3.528 12.848 1.00 0.00 C ATOM 263 NH1 ARG A 18 79.005 -3.001 13.178 1.00 0.00 N ATOM 264 NH2 ARG A 18 81.245 -3.136 13.444 1.00 0.00 N ATOM 0 H ARG A 18 78.547 -8.144 8.856 1.00 0.00 H new ATOM 0 HA ARG A 18 81.156 -7.071 8.590 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.397 -7.649 11.016 1.00 0.00 H new ATOM 0 HB3 ARG A 18 80.910 -6.773 11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.041 -5.148 9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.500 -5.983 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 18 78.356 -4.075 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 18 78.381 -5.533 11.917 1.00 0.00 H new ATOM 0 HE ARG A 18 81.117 -4.839 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 18 78.151 -3.304 12.711 1.00 0.00 H new ATOM 0 HH12 ARG A 18 78.963 -2.285 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 18 82.142 -3.546 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 18 81.202 -2.420 14.169 1.00 0.00 H new ATOM 278 N ASN A 19 81.037 -9.959 10.196 1.00 0.00 N ATOM 279 CA ASN A 19 81.921 -11.077 10.623 1.00 0.00 C ATOM 280 C ASN A 19 82.603 -11.661 9.385 1.00 0.00 C ATOM 281 O ASN A 19 83.791 -11.938 9.377 1.00 0.00 O ATOM 282 CB ASN A 19 81.070 -12.148 11.304 1.00 0.00 C ATOM 283 CG ASN A 19 80.629 -11.649 12.681 1.00 0.00 C ATOM 284 OD1 ASN A 19 79.512 -11.202 12.848 1.00 0.00 O ATOM 285 ND2 ASN A 19 81.465 -11.704 13.683 1.00 0.00 N ATOM 0 H ASN A 19 80.039 -10.111 10.340 1.00 0.00 H new ATOM 0 HA ASN A 19 82.678 -10.721 11.322 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.198 -12.378 10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.641 -13.071 11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 19 81.180 -11.372 14.604 1.00 0.00 H new ATOM 0 HD22 ASN A 19 82.403 -12.079 13.544 1.00 0.00 H new ATOM 292 N LYS A 20 81.863 -11.826 8.326 1.00 0.00 N ATOM 293 CA LYS A 20 82.460 -12.368 7.078 1.00 0.00 C ATOM 294 C LYS A 20 83.556 -11.410 6.614 1.00 0.00 C ATOM 295 O LYS A 20 84.576 -11.816 6.090 1.00 0.00 O ATOM 296 CB LYS A 20 81.382 -12.466 6.004 1.00 0.00 C ATOM 297 CG LYS A 20 81.930 -13.221 4.791 1.00 0.00 C ATOM 298 CD LYS A 20 81.833 -14.730 5.028 1.00 0.00 C ATOM 299 CE LYS A 20 82.271 -15.468 3.761 1.00 0.00 C ATOM 300 NZ LYS A 20 82.330 -16.932 4.029 1.00 0.00 N ATOM 0 H LYS A 20 80.868 -11.608 8.272 1.00 0.00 H new ATOM 0 HA LYS A 20 82.878 -13.359 7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.506 -12.981 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.058 -11.468 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.368 -12.948 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.968 -12.938 4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 20 82.464 -15.019 5.868 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.811 -15.004 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 20 81.572 -15.265 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 20 83.248 -15.108 3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 82.628 -17.431 3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 83.014 -17.118 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.390 -17.270 4.317 1.00 0.00 H new ATOM 314 N ALA A 21 83.344 -10.136 6.798 1.00 0.00 N ATOM 315 CA ALA A 21 84.358 -9.135 6.376 1.00 0.00 C ATOM 316 C ALA A 21 85.678 -9.400 7.106 1.00 0.00 C ATOM 317 O ALA A 21 86.744 -9.249 6.546 1.00 0.00 O ATOM 318 CB ALA A 21 83.850 -7.733 6.715 1.00 0.00 C ATOM 0 H ALA A 21 82.505 -9.745 7.226 1.00 0.00 H new ATOM 0 HA ALA A 21 84.525 -9.212 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.590 -6.994 6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.913 -7.549 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.685 -7.656 7.790 1.00 0.00 H new ATOM 324 N GLU A 22 85.619 -9.795 8.349 1.00 0.00 N ATOM 325 CA GLU A 22 86.881 -10.064 9.092 1.00 0.00 C ATOM 326 C GLU A 22 87.662 -11.140 8.341 1.00 0.00 C ATOM 327 O GLU A 22 88.850 -11.023 8.128 1.00 0.00 O ATOM 328 CB GLU A 22 86.558 -10.565 10.503 1.00 0.00 C ATOM 329 CG GLU A 22 85.937 -9.433 11.324 1.00 0.00 C ATOM 330 CD GLU A 22 86.936 -8.283 11.455 1.00 0.00 C ATOM 331 OE1 GLU A 22 88.118 -8.560 11.563 1.00 0.00 O ATOM 332 OE2 GLU A 22 86.499 -7.143 11.450 1.00 0.00 O ATOM 0 H GLU A 22 84.759 -9.942 8.878 1.00 0.00 H new ATOM 0 HA GLU A 22 87.469 -9.149 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.870 -11.409 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.466 -10.923 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 22 85.024 -9.081 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.657 -9.799 12.312 1.00 0.00 H new ATOM 339 N ASN A 23 86.996 -12.180 7.921 1.00 0.00 N ATOM 340 CA ASN A 23 87.692 -13.249 7.163 1.00 0.00 C ATOM 341 C ASN A 23 88.242 -12.643 5.872 1.00 0.00 C ATOM 342 O ASN A 23 89.376 -12.873 5.492 1.00 0.00 O ATOM 343 CB ASN A 23 86.690 -14.355 6.823 1.00 0.00 C ATOM 344 CG ASN A 23 86.331 -15.133 8.093 1.00 0.00 C ATOM 345 OD1 ASN A 23 85.268 -15.713 8.181 1.00 0.00 O ATOM 346 ND2 ASN A 23 87.178 -15.172 9.085 1.00 0.00 N ATOM 0 H ASN A 23 85.999 -12.333 8.072 1.00 0.00 H new ATOM 0 HA ASN A 23 88.505 -13.669 7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.791 -13.922 6.383 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.116 -15.029 6.080 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.947 -15.689 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 23 88.071 -14.685 9.012 1.00 0.00 H new ATOM 353 N LEU A 24 87.449 -11.846 5.206 1.00 0.00 N ATOM 354 CA LEU A 24 87.914 -11.200 3.951 1.00 0.00 C ATOM 355 C LEU A 24 89.064 -10.254 4.280 1.00 0.00 C ATOM 356 O LEU A 24 90.039 -10.167 3.565 1.00 0.00 O ATOM 357 CB LEU A 24 86.764 -10.398 3.337 1.00 0.00 C ATOM 358 CG LEU A 24 85.697 -11.350 2.799 1.00 0.00 C ATOM 359 CD1 LEU A 24 84.506 -10.541 2.283 1.00 0.00 C ATOM 360 CD2 LEU A 24 86.282 -12.175 1.652 1.00 0.00 C ATOM 0 H LEU A 24 86.494 -11.616 5.482 1.00 0.00 H new ATOM 0 HA LEU A 24 88.246 -11.961 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.329 -9.736 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.139 -9.765 2.532 1.00 0.00 H new ATOM 0 HG LEU A 24 85.369 -12.015 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.744 -11.220 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.088 -9.949 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.836 -9.877 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.521 -12.854 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.609 -11.508 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.133 -12.751 2.015 1.00 0.00 H new ATOM 372 N LEU A 25 88.956 -9.547 5.373 1.00 0.00 N ATOM 373 CA LEU A 25 90.043 -8.609 5.764 1.00 0.00 C ATOM 374 C LEU A 25 91.201 -9.425 6.324 1.00 0.00 C ATOM 375 O LEU A 25 92.355 -9.064 6.206 1.00 0.00 O ATOM 376 CB LEU A 25 89.508 -7.639 6.822 1.00 0.00 C ATOM 377 CG LEU A 25 88.530 -6.669 6.151 1.00 0.00 C ATOM 378 CD1 LEU A 25 87.615 -6.020 7.196 1.00 0.00 C ATOM 379 CD2 LEU A 25 89.324 -5.578 5.428 1.00 0.00 C ATOM 0 H LEU A 25 88.161 -9.580 6.011 1.00 0.00 H new ATOM 0 HA LEU A 25 90.388 -8.034 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.008 -8.188 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.330 -7.089 7.281 1.00 0.00 H new ATOM 0 HG LEU A 25 87.915 -7.221 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.927 -5.334 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.047 -6.794 7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.219 -5.470 7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.634 -4.884 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.940 -5.038 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.964 -6.034 4.673 1.00 0.00 H new ATOM 391 N ARG A 26 90.891 -10.542 6.913 1.00 0.00 N ATOM 392 CA ARG A 26 91.947 -11.420 7.466 1.00 0.00 C ATOM 393 C ARG A 26 92.579 -12.233 6.341 1.00 0.00 C ATOM 394 O ARG A 26 91.897 -12.759 5.485 1.00 0.00 O ATOM 395 CB ARG A 26 91.324 -12.356 8.498 1.00 0.00 C ATOM 396 CG ARG A 26 91.172 -11.601 9.810 1.00 0.00 C ATOM 397 CD ARG A 26 90.604 -12.529 10.881 1.00 0.00 C ATOM 398 NE ARG A 26 90.654 -11.833 12.207 1.00 0.00 N ATOM 399 CZ ARG A 26 91.776 -11.359 12.686 1.00 0.00 C ATOM 400 NH1 ARG A 26 92.910 -11.607 12.091 1.00 0.00 N ATOM 401 NH2 ARG A 26 91.765 -10.661 13.788 1.00 0.00 N ATOM 0 H ARG A 26 89.939 -10.886 7.035 1.00 0.00 H new ATOM 0 HA ARG A 26 92.720 -10.815 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.353 -12.710 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.952 -13.236 8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 26 92.139 -11.211 10.129 1.00 0.00 H new ATOM 0 HG3 ARG A 26 90.513 -10.744 9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 26 89.577 -12.801 10.637 1.00 0.00 H new ATOM 0 HD3 ARG A 26 91.178 -13.455 10.920 1.00 0.00 H new ATOM 0 HE ARG A 26 89.796 -11.726 12.748 1.00 0.00 H new ATOM 0 HH11 ARG A 26 92.928 -12.175 11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 26 93.779 -11.233 12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 26 90.885 -10.487 14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.637 -10.290 14.165 1.00 0.00 H new ATOM 415 N GLY A 27 93.878 -12.344 6.334 1.00 0.00 N ATOM 416 CA GLY A 27 94.552 -13.135 5.266 1.00 0.00 C ATOM 417 C GLY A 27 94.946 -12.217 4.108 1.00 0.00 C ATOM 418 O GLY A 27 95.637 -12.618 3.194 1.00 0.00 O ATOM 0 H GLY A 27 94.502 -11.922 7.021 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.437 -13.626 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 27 93.886 -13.921 4.908 1.00 0.00 H new ATOM 422 N LYS A 28 94.505 -10.993 4.134 1.00 0.00 N ATOM 423 CA LYS A 28 94.843 -10.056 3.033 1.00 0.00 C ATOM 424 C LYS A 28 96.057 -9.208 3.425 1.00 0.00 C ATOM 425 O LYS A 28 96.167 -8.736 4.538 1.00 0.00 O ATOM 426 CB LYS A 28 93.643 -9.144 2.770 1.00 0.00 C ATOM 427 CG LYS A 28 92.462 -9.980 2.276 1.00 0.00 C ATOM 428 CD LYS A 28 92.768 -10.500 0.871 1.00 0.00 C ATOM 429 CE LYS A 28 91.479 -10.554 0.050 1.00 0.00 C ATOM 430 NZ LYS A 28 90.494 -11.447 0.724 1.00 0.00 N ATOM 0 H LYS A 28 93.923 -10.600 4.874 1.00 0.00 H new ATOM 0 HA LYS A 28 95.082 -10.622 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.370 -8.614 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.903 -8.389 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.282 -10.814 2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.554 -9.377 2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.495 -9.851 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.215 -11.492 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.063 -9.553 -0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.691 -10.921 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 89.705 -11.646 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 90.958 -12.339 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.130 -10.980 1.579 1.00 0.00 H new ATOM 444 N ARG A 29 96.963 -9.009 2.509 1.00 0.00 N ATOM 445 CA ARG A 29 98.171 -8.188 2.817 1.00 0.00 C ATOM 446 C ARG A 29 97.755 -6.725 2.987 1.00 0.00 C ATOM 447 O ARG A 29 96.681 -6.326 2.588 1.00 0.00 O ATOM 448 CB ARG A 29 99.196 -8.305 1.679 1.00 0.00 C ATOM 449 CG ARG A 29 98.610 -7.727 0.386 1.00 0.00 C ATOM 450 CD ARG A 29 99.435 -8.204 -0.816 1.00 0.00 C ATOM 451 NE ARG A 29 98.741 -9.355 -1.466 1.00 0.00 N ATOM 452 CZ ARG A 29 99.092 -9.746 -2.663 1.00 0.00 C ATOM 453 NH1 ARG A 29 100.008 -9.091 -3.323 1.00 0.00 N ATOM 454 NH2 ARG A 29 98.512 -10.781 -3.207 1.00 0.00 N ATOM 0 H ARG A 29 96.921 -9.379 1.559 1.00 0.00 H new ATOM 0 HA ARG A 29 98.627 -8.551 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 29 100.109 -7.772 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.469 -9.350 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 29 97.572 -8.041 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.611 -6.638 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 29 99.562 -7.391 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 29 100.432 -8.502 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 29 97.990 -9.838 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 29 100.451 -8.273 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 29 100.281 -9.397 -4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 29 97.785 -11.284 -2.698 1.00 0.00 H new ATOM 0 HH22 ARG A 29 98.785 -11.086 -4.141 1.00 0.00 H new ATOM 468 N ASP A 30 98.594 -5.929 3.587 1.00 0.00 N ATOM 469 CA ASP A 30 98.246 -4.494 3.789 1.00 0.00 C ATOM 470 C ASP A 30 98.019 -3.834 2.425 1.00 0.00 C ATOM 471 O ASP A 30 98.697 -4.135 1.462 1.00 0.00 O ATOM 472 CB ASP A 30 99.401 -3.804 4.510 1.00 0.00 C ATOM 473 CG ASP A 30 99.583 -4.440 5.888 1.00 0.00 C ATOM 474 OD1 ASP A 30 98.585 -4.684 6.542 1.00 0.00 O ATOM 475 OD2 ASP A 30 100.719 -4.678 6.261 1.00 0.00 O ATOM 0 H ASP A 30 99.506 -6.209 3.947 1.00 0.00 H new ATOM 0 HA ASP A 30 97.338 -4.408 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 30 100.318 -3.899 3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.197 -2.738 4.612 1.00 0.00 H new ATOM 480 N GLY A 31 97.073 -2.938 2.330 1.00 0.00 N ATOM 481 CA GLY A 31 96.808 -2.265 1.021 1.00 0.00 C ATOM 482 C GLY A 31 95.476 -2.755 0.455 1.00 0.00 C ATOM 483 O GLY A 31 94.778 -2.038 -0.237 1.00 0.00 O ATOM 0 H GLY A 31 96.472 -2.642 3.099 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.782 -1.184 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.614 -2.480 0.320 1.00 0.00 H new ATOM 487 N THR A 32 95.114 -3.968 0.748 1.00 0.00 N ATOM 488 CA THR A 32 93.826 -4.505 0.236 1.00 0.00 C ATOM 489 C THR A 32 92.676 -3.911 1.055 1.00 0.00 C ATOM 490 O THR A 32 92.740 -3.844 2.267 1.00 0.00 O ATOM 491 CB THR A 32 93.830 -6.029 0.378 1.00 0.00 C ATOM 492 OG1 THR A 32 94.948 -6.561 -0.320 1.00 0.00 O ATOM 493 CG2 THR A 32 92.540 -6.604 -0.207 1.00 0.00 C ATOM 0 H THR A 32 95.656 -4.614 1.322 1.00 0.00 H new ATOM 0 HA THR A 32 93.698 -4.239 -0.813 1.00 0.00 H new ATOM 0 HB THR A 32 93.895 -6.297 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.956 -7.537 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.546 -7.689 -0.104 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.683 -6.194 0.328 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.470 -6.340 -1.262 1.00 0.00 H new ATOM 501 N PHE A 33 91.618 -3.484 0.412 1.00 0.00 N ATOM 502 CA PHE A 33 90.478 -2.912 1.181 1.00 0.00 C ATOM 503 C PHE A 33 89.171 -3.374 0.545 1.00 0.00 C ATOM 504 O PHE A 33 89.147 -3.830 -0.577 1.00 0.00 O ATOM 505 CB PHE A 33 90.545 -1.374 1.194 1.00 0.00 C ATOM 506 CG PHE A 33 89.667 -0.780 0.112 1.00 0.00 C ATOM 507 CD1 PHE A 33 89.853 -1.128 -1.230 1.00 0.00 C ATOM 508 CD2 PHE A 33 88.653 0.126 0.459 1.00 0.00 C ATOM 509 CE1 PHE A 33 89.022 -0.573 -2.215 1.00 0.00 C ATOM 510 CE2 PHE A 33 87.832 0.677 -0.533 1.00 0.00 C ATOM 511 CZ PHE A 33 88.016 0.325 -1.864 1.00 0.00 C ATOM 0 H PHE A 33 91.497 -3.507 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 33 90.532 -3.260 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.229 -1.002 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.576 -1.051 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.633 -1.821 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.505 0.399 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.163 -0.843 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.055 1.377 -0.263 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.379 0.747 -2.627 1.00 0.00 H new ATOM 521 N LEU A 34 88.089 -3.267 1.252 1.00 0.00 N ATOM 522 CA LEU A 34 86.797 -3.707 0.672 1.00 0.00 C ATOM 523 C LEU A 34 85.737 -2.642 0.946 1.00 0.00 C ATOM 524 O LEU A 34 85.828 -1.892 1.897 1.00 0.00 O ATOM 525 CB LEU A 34 86.379 -5.028 1.319 1.00 0.00 C ATOM 526 CG LEU A 34 85.980 -4.770 2.764 1.00 0.00 C ATOM 527 CD1 LEU A 34 84.466 -4.620 2.836 1.00 0.00 C ATOM 528 CD2 LEU A 34 86.428 -5.948 3.633 1.00 0.00 C ATOM 0 H LEU A 34 88.042 -2.896 2.201 1.00 0.00 H new ATOM 0 HA LEU A 34 86.901 -3.848 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.545 -5.468 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 34 87.200 -5.743 1.278 1.00 0.00 H new ATOM 0 HG LEU A 34 86.456 -3.859 3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.167 -4.435 3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 84.153 -3.783 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 34 83.992 -5.535 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.143 -5.765 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 34 85.950 -6.862 3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.511 -6.057 3.568 1.00 0.00 H new ATOM 540 N VAL A 35 84.729 -2.584 0.127 1.00 0.00 N ATOM 541 CA VAL A 35 83.653 -1.585 0.340 1.00 0.00 C ATOM 542 C VAL A 35 82.376 -2.339 0.687 1.00 0.00 C ATOM 543 O VAL A 35 82.082 -3.365 0.107 1.00 0.00 O ATOM 544 CB VAL A 35 83.441 -0.768 -0.938 1.00 0.00 C ATOM 545 CG1 VAL A 35 82.263 0.190 -0.743 1.00 0.00 C ATOM 546 CG2 VAL A 35 84.709 0.033 -1.247 1.00 0.00 C ATOM 0 H VAL A 35 84.604 -3.189 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 35 83.923 -0.903 1.146 1.00 0.00 H new ATOM 0 HB VAL A 35 83.226 -1.440 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.112 0.771 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.361 -0.382 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.475 0.864 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.559 0.615 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.926 0.706 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.546 -0.651 -1.388 1.00 0.00 H new ATOM 556 N ARG A 36 81.621 -1.864 1.635 1.00 0.00 N ATOM 557 CA ARG A 36 80.381 -2.592 2.011 1.00 0.00 C ATOM 558 C ARG A 36 79.350 -1.599 2.528 1.00 0.00 C ATOM 559 O ARG A 36 79.652 -0.446 2.771 1.00 0.00 O ATOM 560 CB ARG A 36 80.717 -3.606 3.110 1.00 0.00 C ATOM 561 CG ARG A 36 81.153 -2.861 4.375 1.00 0.00 C ATOM 562 CD ARG A 36 81.693 -3.864 5.397 1.00 0.00 C ATOM 563 NE ARG A 36 80.578 -4.725 5.911 1.00 0.00 N ATOM 564 CZ ARG A 36 79.477 -4.206 6.396 1.00 0.00 C ATOM 565 NH1 ARG A 36 79.398 -2.929 6.651 1.00 0.00 N ATOM 566 NH2 ARG A 36 78.474 -4.987 6.686 1.00 0.00 N ATOM 0 H ARG A 36 81.807 -1.010 2.162 1.00 0.00 H new ATOM 0 HA ARG A 36 79.975 -3.111 1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.848 -4.229 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.512 -4.272 2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 36 81.920 -2.126 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.310 -2.314 4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 82.461 -4.486 4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.165 -3.334 6.224 1.00 0.00 H new ATOM 0 HE ARG A 36 80.679 -5.740 5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 36 80.199 -2.323 6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 36 78.535 -2.537 7.028 1.00 0.00 H new ATOM 0 HH21 ARG A 36 78.551 -5.993 6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 36 77.613 -4.592 7.064 1.00 0.00 H new ATOM 580 N GLU A 37 78.134 -2.027 2.717 1.00 0.00 N ATOM 581 CA GLU A 37 77.102 -1.096 3.231 1.00 0.00 C ATOM 582 C GLU A 37 76.903 -1.355 4.716 1.00 0.00 C ATOM 583 O GLU A 37 77.452 -2.286 5.269 1.00 0.00 O ATOM 584 CB GLU A 37 75.778 -1.344 2.503 1.00 0.00 C ATOM 585 CG GLU A 37 75.469 -2.841 2.486 1.00 0.00 C ATOM 586 CD GLU A 37 73.954 -3.042 2.433 1.00 0.00 C ATOM 587 OE1 GLU A 37 73.243 -2.053 2.502 1.00 0.00 O ATOM 588 OE2 GLU A 37 73.528 -4.181 2.324 1.00 0.00 O ATOM 0 H GLU A 37 77.814 -2.979 2.537 1.00 0.00 H new ATOM 0 HA GLU A 37 77.422 -0.067 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.973 -0.803 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.836 -0.964 1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.941 -3.312 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.880 -3.319 3.375 1.00 0.00 H new ATOM 595 N SER A 38 76.091 -0.573 5.361 1.00 0.00 N ATOM 596 CA SER A 38 75.837 -0.832 6.793 1.00 0.00 C ATOM 597 C SER A 38 74.859 -1.999 6.819 1.00 0.00 C ATOM 598 O SER A 38 74.328 -2.387 7.841 1.00 0.00 O ATOM 599 CB SER A 38 75.240 0.411 7.451 1.00 0.00 C ATOM 600 OG SER A 38 76.246 1.407 7.561 1.00 0.00 O ATOM 0 H SER A 38 75.598 0.226 4.961 1.00 0.00 H new ATOM 0 HA SER A 38 76.747 -1.067 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 38 74.404 0.785 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 38 74.847 0.163 8.437 1.00 0.00 H new ATOM 0 HG SER A 38 76.458 1.757 6.671 1.00 0.00 H new ATOM 606 N SER A 39 74.664 -2.562 5.653 1.00 0.00 N ATOM 607 CA SER A 39 73.768 -3.735 5.464 1.00 0.00 C ATOM 608 C SER A 39 72.319 -3.274 5.273 1.00 0.00 C ATOM 609 O SER A 39 71.804 -3.266 4.176 1.00 0.00 O ATOM 610 CB SER A 39 73.853 -4.669 6.673 1.00 0.00 C ATOM 611 OG SER A 39 73.045 -4.159 7.724 1.00 0.00 O ATOM 0 H SER A 39 75.109 -2.240 4.794 1.00 0.00 H new ATOM 0 HA SER A 39 74.092 -4.273 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 39 73.520 -5.670 6.397 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.887 -4.758 7.005 1.00 0.00 H new ATOM 0 HG SER A 39 73.543 -3.474 8.217 1.00 0.00 H new ATOM 617 N LYS A 40 71.653 -2.906 6.335 1.00 0.00 N ATOM 618 CA LYS A 40 70.235 -2.464 6.205 1.00 0.00 C ATOM 619 C LYS A 40 70.155 -0.936 6.217 1.00 0.00 C ATOM 620 O LYS A 40 69.234 -0.357 5.673 1.00 0.00 O ATOM 621 CB LYS A 40 69.434 -3.014 7.383 1.00 0.00 C ATOM 622 CG LYS A 40 69.452 -4.539 7.329 1.00 0.00 C ATOM 623 CD LYS A 40 68.700 -5.105 8.534 1.00 0.00 C ATOM 624 CE LYS A 40 68.862 -6.625 8.558 1.00 0.00 C ATOM 625 NZ LYS A 40 68.121 -7.192 9.720 1.00 0.00 N ATOM 0 H LYS A 40 72.028 -2.892 7.283 1.00 0.00 H new ATOM 0 HA LYS A 40 69.829 -2.835 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 40 69.861 -2.666 8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 40 68.408 -2.648 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 40 68.990 -4.885 6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 40 70.480 -4.901 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 40 69.087 -4.671 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 40 67.644 -4.841 8.476 1.00 0.00 H new ATOM 0 HE2 LYS A 40 68.486 -7.055 7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 40 69.918 -6.887 8.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 68.234 -8.226 9.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 68.500 -6.792 10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 67.112 -6.955 9.637 1.00 0.00 H new ATOM 639 N GLN A 41 71.104 -0.272 6.822 1.00 0.00 N ATOM 640 CA GLN A 41 71.056 1.220 6.842 1.00 0.00 C ATOM 641 C GLN A 41 71.666 1.761 5.548 1.00 0.00 C ATOM 642 O GLN A 41 72.522 1.145 4.947 1.00 0.00 O ATOM 643 CB GLN A 41 71.811 1.768 8.058 1.00 0.00 C ATOM 644 CG GLN A 41 71.052 1.391 9.333 1.00 0.00 C ATOM 645 CD GLN A 41 71.832 1.854 10.565 1.00 0.00 C ATOM 646 OE1 GLN A 41 73.035 2.021 10.515 1.00 0.00 O ATOM 647 NE2 GLN A 41 71.189 2.066 11.683 1.00 0.00 N ATOM 0 H GLN A 41 71.902 -0.692 7.298 1.00 0.00 H new ATOM 0 HA GLN A 41 70.018 1.544 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 41 72.821 1.360 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 41 71.906 2.851 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 41 70.063 1.849 9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 41 70.903 0.312 9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.180 1.926 11.725 1.00 0.00 H new ATOM 0 HE22 GLN A 41 71.697 2.372 12.513 1.00 0.00 H new ATOM 656 N GLY A 42 71.214 2.903 5.105 1.00 0.00 N ATOM 657 CA GLY A 42 71.745 3.481 3.836 1.00 0.00 C ATOM 658 C GLY A 42 73.163 4.029 4.036 1.00 0.00 C ATOM 659 O GLY A 42 73.728 4.631 3.146 1.00 0.00 O ATOM 0 H GLY A 42 70.498 3.462 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 42 71.752 2.717 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 42 71.087 4.279 3.492 1.00 0.00 H new ATOM 663 N CYS A 43 73.747 3.835 5.188 1.00 0.00 N ATOM 664 CA CYS A 43 75.126 4.358 5.414 1.00 0.00 C ATOM 665 C CYS A 43 76.132 3.417 4.748 1.00 0.00 C ATOM 666 O CYS A 43 75.954 2.215 4.728 1.00 0.00 O ATOM 667 CB CYS A 43 75.415 4.427 6.916 1.00 0.00 C ATOM 668 SG CYS A 43 77.012 5.232 7.193 1.00 0.00 S ATOM 0 H CYS A 43 73.332 3.340 5.978 1.00 0.00 H new ATOM 0 HA CYS A 43 75.211 5.357 4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 43 74.625 4.981 7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 43 75.424 3.423 7.341 1.00 0.00 H new ATOM 0 HG CYS A 43 77.253 5.291 8.469 1.00 0.00 H new ATOM 674 N TYR A 44 77.186 3.953 4.193 1.00 0.00 N ATOM 675 CA TYR A 44 78.198 3.087 3.520 1.00 0.00 C ATOM 676 C TYR A 44 79.515 3.127 4.295 1.00 0.00 C ATOM 677 O TYR A 44 79.756 4.019 5.086 1.00 0.00 O ATOM 678 CB TYR A 44 78.438 3.593 2.097 1.00 0.00 C ATOM 679 CG TYR A 44 77.185 3.424 1.275 1.00 0.00 C ATOM 680 CD1 TYR A 44 76.909 2.193 0.666 1.00 0.00 C ATOM 681 CD2 TYR A 44 76.306 4.500 1.105 1.00 0.00 C ATOM 682 CE1 TYR A 44 75.757 2.036 -0.111 1.00 0.00 C ATOM 683 CE2 TYR A 44 75.148 4.342 0.330 1.00 0.00 C ATOM 684 CZ TYR A 44 74.876 3.110 -0.281 1.00 0.00 C ATOM 685 OH TYR A 44 73.743 2.957 -1.058 1.00 0.00 O ATOM 0 H TYR A 44 77.390 4.952 4.176 1.00 0.00 H new ATOM 0 HA TYR A 44 77.826 2.063 3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.730 4.643 2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.260 3.043 1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.588 1.363 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.519 5.451 1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.547 1.086 -0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.466 5.170 0.204 1.00 0.00 H new ATOM 0 HH TYR A 44 73.239 3.798 -1.071 1.00 0.00 H new ATOM 695 N ALA A 45 80.374 2.167 4.081 1.00 0.00 N ATOM 696 CA ALA A 45 81.667 2.161 4.810 1.00 0.00 C ATOM 697 C ALA A 45 82.629 1.190 4.127 1.00 0.00 C ATOM 698 O ALA A 45 82.232 0.151 3.637 1.00 0.00 O ATOM 699 CB ALA A 45 81.423 1.719 6.257 1.00 0.00 C ATOM 0 H ALA A 45 80.234 1.391 3.434 1.00 0.00 H new ATOM 0 HA ALA A 45 82.102 3.160 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.368 1.712 6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.734 2.413 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.993 0.717 6.264 1.00 0.00 H new ATOM 705 N CYS A 46 83.894 1.505 4.098 1.00 0.00 N ATOM 706 CA CYS A 46 84.863 0.577 3.459 1.00 0.00 C ATOM 707 C CYS A 46 85.889 0.182 4.503 1.00 0.00 C ATOM 708 O CYS A 46 86.355 0.995 5.272 1.00 0.00 O ATOM 709 CB CYS A 46 85.549 1.254 2.260 1.00 0.00 C ATOM 710 SG CYS A 46 84.285 1.749 1.065 1.00 0.00 S ATOM 0 H CYS A 46 84.295 2.359 4.486 1.00 0.00 H new ATOM 0 HA CYS A 46 84.346 -0.307 3.086 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.115 2.124 2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.259 0.569 1.796 1.00 0.00 H new ATOM 0 HG CYS A 46 84.826 2.489 0.143 1.00 0.00 H new ATOM 716 N SER A 47 86.231 -1.063 4.552 1.00 0.00 N ATOM 717 CA SER A 47 87.212 -1.503 5.571 1.00 0.00 C ATOM 718 C SER A 47 88.558 -1.758 4.906 1.00 0.00 C ATOM 719 O SER A 47 88.635 -2.223 3.787 1.00 0.00 O ATOM 720 CB SER A 47 86.702 -2.771 6.257 1.00 0.00 C ATOM 721 OG SER A 47 86.645 -3.827 5.313 1.00 0.00 O ATOM 0 H SER A 47 85.878 -1.795 3.935 1.00 0.00 H new ATOM 0 HA SER A 47 87.337 -0.724 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 87.361 -3.041 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.714 -2.595 6.683 1.00 0.00 H new ATOM 0 HG SER A 47 85.718 -4.132 5.218 1.00 0.00 H new ATOM 727 N VAL A 48 89.622 -1.436 5.583 1.00 0.00 N ATOM 728 CA VAL A 48 90.960 -1.636 4.985 1.00 0.00 C ATOM 729 C VAL A 48 91.814 -2.492 5.917 1.00 0.00 C ATOM 730 O VAL A 48 91.562 -2.589 7.102 1.00 0.00 O ATOM 731 CB VAL A 48 91.628 -0.278 4.803 1.00 0.00 C ATOM 732 CG1 VAL A 48 92.968 -0.463 4.095 1.00 0.00 C ATOM 733 CG2 VAL A 48 90.716 0.634 3.975 1.00 0.00 C ATOM 0 H VAL A 48 89.619 -1.043 6.524 1.00 0.00 H new ATOM 0 HA VAL A 48 90.860 -2.137 4.022 1.00 0.00 H new ATOM 0 HB VAL A 48 91.799 0.181 5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 48 93.447 0.507 3.964 1.00 0.00 H new ATOM 0 HG12 VAL A 48 93.611 -1.107 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.804 -0.921 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 48 91.194 1.605 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 48 90.540 0.183 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 48 89.765 0.764 4.492 1.00 0.00 H new ATOM 743 N VAL A 49 92.829 -3.105 5.387 1.00 0.00 N ATOM 744 CA VAL A 49 93.718 -3.943 6.235 1.00 0.00 C ATOM 745 C VAL A 49 95.071 -3.248 6.371 1.00 0.00 C ATOM 746 O VAL A 49 95.651 -2.808 5.397 1.00 0.00 O ATOM 747 CB VAL A 49 93.903 -5.311 5.591 1.00 0.00 C ATOM 748 CG1 VAL A 49 94.829 -6.153 6.471 1.00 0.00 C ATOM 749 CG2 VAL A 49 92.540 -5.995 5.467 1.00 0.00 C ATOM 0 H VAL A 49 93.084 -3.063 4.400 1.00 0.00 H new ATOM 0 HA VAL A 49 93.271 -4.074 7.221 1.00 0.00 H new ATOM 0 HB VAL A 49 94.343 -5.204 4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 49 94.968 -7.135 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.795 -5.656 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.385 -6.269 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.665 -6.975 5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.101 -6.113 6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.882 -5.385 4.848 1.00 0.00 H new ATOM 759 N VAL A 50 95.573 -3.124 7.567 1.00 0.00 N ATOM 760 CA VAL A 50 96.875 -2.428 7.748 1.00 0.00 C ATOM 761 C VAL A 50 97.881 -3.340 8.454 1.00 0.00 C ATOM 762 O VAL A 50 97.522 -4.213 9.220 1.00 0.00 O ATOM 763 CB VAL A 50 96.634 -1.160 8.572 1.00 0.00 C ATOM 764 CG1 VAL A 50 97.938 -0.666 9.204 1.00 0.00 C ATOM 765 CG2 VAL A 50 96.083 -0.074 7.654 1.00 0.00 C ATOM 0 H VAL A 50 95.140 -3.473 8.422 1.00 0.00 H new ATOM 0 HA VAL A 50 97.291 -2.167 6.775 1.00 0.00 H new ATOM 0 HB VAL A 50 95.925 -1.386 9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 50 97.742 0.236 9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 50 98.341 -1.439 9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.661 -0.443 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 50 95.907 0.835 8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.803 0.132 6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 50 95.145 -0.411 7.213 1.00 0.00 H new ATOM 775 N ASP A 51 99.142 -3.126 8.192 1.00 0.00 N ATOM 776 CA ASP A 51 100.209 -3.956 8.814 1.00 0.00 C ATOM 777 C ASP A 51 100.001 -4.022 10.317 1.00 0.00 C ATOM 778 O ASP A 51 100.620 -4.805 11.011 1.00 0.00 O ATOM 779 CB ASP A 51 101.572 -3.314 8.530 1.00 0.00 C ATOM 780 CG ASP A 51 102.687 -4.237 9.029 1.00 0.00 C ATOM 781 OD1 ASP A 51 102.366 -5.258 9.616 1.00 0.00 O ATOM 782 OD2 ASP A 51 103.842 -3.905 8.821 1.00 0.00 O ATOM 0 H ASP A 51 99.481 -2.399 7.563 1.00 0.00 H new ATOM 0 HA ASP A 51 100.171 -4.962 8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.685 -3.135 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.639 -2.345 9.025 1.00 0.00 H new ATOM 787 N GLY A 52 99.145 -3.203 10.821 1.00 0.00 N ATOM 788 CA GLY A 52 98.900 -3.202 12.283 1.00 0.00 C ATOM 789 C GLY A 52 97.564 -3.875 12.596 1.00 0.00 C ATOM 790 O GLY A 52 97.486 -4.736 13.450 1.00 0.00 O ATOM 0 H GLY A 52 98.598 -2.528 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.708 -3.726 12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.896 -2.178 12.658 1.00 0.00 H new ATOM 794 N GLU A 53 96.503 -3.490 11.930 1.00 0.00 N ATOM 795 CA GLU A 53 95.185 -4.124 12.238 1.00 0.00 C ATOM 796 C GLU A 53 94.186 -3.909 11.096 1.00 0.00 C ATOM 797 O GLU A 53 94.453 -3.223 10.128 1.00 0.00 O ATOM 798 CB GLU A 53 94.608 -3.500 13.514 1.00 0.00 C ATOM 799 CG GLU A 53 95.457 -3.895 14.725 1.00 0.00 C ATOM 800 CD GLU A 53 94.687 -3.576 16.010 1.00 0.00 C ATOM 801 OE1 GLU A 53 93.795 -2.745 15.950 1.00 0.00 O ATOM 802 OE2 GLU A 53 94.999 -4.169 17.030 1.00 0.00 O ATOM 0 H GLU A 53 96.491 -2.778 11.200 1.00 0.00 H new ATOM 0 HA GLU A 53 95.346 -5.194 12.369 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.582 -2.415 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.580 -3.832 13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.696 -4.958 14.685 1.00 0.00 H new ATOM 0 HG3 GLU A 53 96.404 -3.355 14.711 1.00 0.00 H new ATOM 809 N VAL A 54 93.013 -4.475 11.231 1.00 0.00 N ATOM 810 CA VAL A 54 91.951 -4.295 10.200 1.00 0.00 C ATOM 811 C VAL A 54 91.137 -3.055 10.580 1.00 0.00 C ATOM 812 O VAL A 54 90.800 -2.863 11.732 1.00 0.00 O ATOM 813 CB VAL A 54 91.037 -5.524 10.181 1.00 0.00 C ATOM 814 CG1 VAL A 54 89.802 -5.231 9.328 1.00 0.00 C ATOM 815 CG2 VAL A 54 91.793 -6.716 9.586 1.00 0.00 C ATOM 0 H VAL A 54 92.745 -5.061 12.022 1.00 0.00 H new ATOM 0 HA VAL A 54 92.394 -4.174 9.212 1.00 0.00 H new ATOM 0 HB VAL A 54 90.729 -5.759 11.200 1.00 0.00 H new ATOM 0 HG11 VAL A 54 89.153 -6.106 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.261 -4.384 9.750 1.00 0.00 H new ATOM 0 HG13 VAL A 54 90.111 -4.994 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 54 91.142 -7.590 9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 54 92.103 -6.479 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.673 -6.928 10.193 1.00 0.00 H new ATOM 825 N LYS A 55 90.840 -2.199 9.642 1.00 0.00 N ATOM 826 CA LYS A 55 90.074 -0.964 9.993 1.00 0.00 C ATOM 827 C LYS A 55 88.722 -0.919 9.274 1.00 0.00 C ATOM 828 O LYS A 55 88.498 -1.603 8.296 1.00 0.00 O ATOM 829 CB LYS A 55 90.900 0.262 9.606 1.00 0.00 C ATOM 830 CG LYS A 55 92.069 0.420 10.581 1.00 0.00 C ATOM 831 CD LYS A 55 93.335 -0.159 9.959 1.00 0.00 C ATOM 832 CE LYS A 55 94.417 -0.285 11.037 1.00 0.00 C ATOM 833 NZ LYS A 55 93.927 0.331 12.301 1.00 0.00 N ATOM 0 H LYS A 55 91.090 -2.296 8.658 1.00 0.00 H new ATOM 0 HA LYS A 55 89.883 -0.970 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.274 0.155 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.275 1.155 9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.217 1.473 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.846 -0.090 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.126 -1.135 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.684 0.484 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.662 -1.334 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.332 0.208 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.722 0.447 12.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.509 1.261 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.207 -0.284 12.731 1.00 0.00 H new ATOM 847 N HIS A 56 87.827 -0.100 9.768 1.00 0.00 N ATOM 848 CA HIS A 56 86.480 0.029 9.141 1.00 0.00 C ATOM 849 C HIS A 56 86.224 1.498 8.780 1.00 0.00 C ATOM 850 O HIS A 56 85.486 2.190 9.451 1.00 0.00 O ATOM 851 CB HIS A 56 85.409 -0.446 10.128 1.00 0.00 C ATOM 852 CG HIS A 56 85.409 -1.950 10.185 1.00 0.00 C ATOM 853 ND1 HIS A 56 85.959 -2.726 9.176 1.00 0.00 N ATOM 854 CD2 HIS A 56 84.924 -2.834 11.116 1.00 0.00 C ATOM 855 CE1 HIS A 56 85.795 -4.015 9.522 1.00 0.00 C ATOM 856 NE2 HIS A 56 85.169 -4.137 10.696 1.00 0.00 N ATOM 0 H HIS A 56 87.976 0.489 10.587 1.00 0.00 H new ATOM 0 HA HIS A 56 86.440 -0.581 8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.604 -0.034 11.118 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.429 -0.083 9.819 1.00 0.00 H new ATOM 0 HD2 HIS A 56 84.428 -2.560 12.035 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.129 -4.850 8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 56 84.923 -5.000 11.180 1.00 0.00 H new ATOM 864 N CYS A 57 86.829 1.979 7.724 1.00 0.00 N ATOM 865 CA CYS A 57 86.618 3.404 7.325 1.00 0.00 C ATOM 866 C CYS A 57 85.134 3.632 7.019 1.00 0.00 C ATOM 867 O CYS A 57 84.443 2.747 6.552 1.00 0.00 O ATOM 868 CB CYS A 57 87.467 3.715 6.088 1.00 0.00 C ATOM 869 SG CYS A 57 89.221 3.646 6.526 1.00 0.00 S ATOM 0 H CYS A 57 87.459 1.448 7.122 1.00 0.00 H new ATOM 0 HA CYS A 57 86.918 4.065 8.138 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.251 2.998 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.217 4.703 5.701 1.00 0.00 H new ATOM 0 HG CYS A 57 89.790 4.774 6.218 1.00 0.00 H new ATOM 875 N VAL A 58 84.631 4.805 7.306 1.00 0.00 N ATOM 876 CA VAL A 58 83.183 5.080 7.059 1.00 0.00 C ATOM 877 C VAL A 58 82.985 5.990 5.845 1.00 0.00 C ATOM 878 O VAL A 58 83.647 6.999 5.691 1.00 0.00 O ATOM 879 CB VAL A 58 82.579 5.772 8.285 1.00 0.00 C ATOM 880 CG1 VAL A 58 83.024 7.237 8.320 1.00 0.00 C ATOM 881 CG2 VAL A 58 81.052 5.719 8.198 1.00 0.00 C ATOM 0 H VAL A 58 85.159 5.584 7.700 1.00 0.00 H new ATOM 0 HA VAL A 58 82.691 4.126 6.869 1.00 0.00 H new ATOM 0 HB VAL A 58 82.918 5.263 9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.593 7.727 9.193 1.00 0.00 H new ATOM 0 HG12 VAL A 58 84.111 7.286 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.685 7.742 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.621 6.211 9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.721 6.229 7.293 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.725 4.680 8.169 1.00 0.00 H new ATOM 891 N ILE A 59 82.039 5.660 5.007 1.00 0.00 N ATOM 892 CA ILE A 59 81.737 6.514 3.828 1.00 0.00 C ATOM 893 C ILE A 59 80.245 6.862 3.896 1.00 0.00 C ATOM 894 O ILE A 59 79.439 6.050 4.298 1.00 0.00 O ATOM 895 CB ILE A 59 82.063 5.768 2.530 1.00 0.00 C ATOM 896 CG1 ILE A 59 83.560 5.441 2.505 1.00 0.00 C ATOM 897 CG2 ILE A 59 81.728 6.659 1.335 1.00 0.00 C ATOM 898 CD1 ILE A 59 83.903 4.696 1.214 1.00 0.00 C ATOM 0 H ILE A 59 81.458 4.826 5.092 1.00 0.00 H new ATOM 0 HA ILE A 59 82.342 7.421 3.839 1.00 0.00 H new ATOM 0 HB ILE A 59 81.479 4.849 2.478 1.00 0.00 H new ATOM 0 HG12 ILE A 59 84.144 6.359 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.823 4.831 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.959 6.130 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.667 6.910 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.318 7.574 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 59 84.968 4.465 1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.330 3.770 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.656 5.321 0.356 1.00 0.00 H new ATOM 910 N ASN A 60 79.854 8.061 3.553 1.00 0.00 N ATOM 911 CA ASN A 60 78.403 8.400 3.668 1.00 0.00 C ATOM 912 C ASN A 60 77.953 9.313 2.527 1.00 0.00 C ATOM 913 O ASN A 60 78.446 10.419 2.371 1.00 0.00 O ATOM 914 CB ASN A 60 78.166 9.109 5.001 1.00 0.00 C ATOM 915 CG ASN A 60 76.666 9.268 5.219 1.00 0.00 C ATOM 916 OD1 ASN A 60 75.874 8.690 4.504 1.00 0.00 O ATOM 917 ND2 ASN A 60 76.236 10.027 6.186 1.00 0.00 N ATOM 0 H ASN A 60 80.459 8.805 3.206 1.00 0.00 H new ATOM 0 HA ASN A 60 77.826 7.477 3.614 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.606 8.535 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.652 10.085 5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 60 75.234 10.135 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.901 10.513 6.787 1.00 0.00 H new ATOM 924 N LYS A 61 77.006 8.867 1.736 1.00 0.00 N ATOM 925 CA LYS A 61 76.516 9.710 0.605 1.00 0.00 C ATOM 926 C LYS A 61 75.282 10.516 1.032 1.00 0.00 C ATOM 927 O LYS A 61 74.264 9.967 1.399 1.00 0.00 O ATOM 928 CB LYS A 61 76.159 8.807 -0.577 1.00 0.00 C ATOM 929 CG LYS A 61 77.411 8.050 -1.025 1.00 0.00 C ATOM 930 CD LYS A 61 77.274 7.648 -2.495 1.00 0.00 C ATOM 931 CE LYS A 61 76.188 6.580 -2.636 1.00 0.00 C ATOM 932 NZ LYS A 61 74.840 7.210 -2.530 1.00 0.00 N ATOM 0 H LYS A 61 76.554 7.957 1.826 1.00 0.00 H new ATOM 0 HA LYS A 61 77.302 10.407 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 61 75.377 8.104 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 61 75.765 9.403 -1.400 1.00 0.00 H new ATOM 0 HG2 LYS A 61 78.293 8.676 -0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 61 77.552 7.163 -0.407 1.00 0.00 H new ATOM 0 HD2 LYS A 61 77.022 8.520 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 61 78.224 7.266 -2.868 1.00 0.00 H new ATOM 0 HE2 LYS A 61 76.287 6.072 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 76.307 5.823 -1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 74.202 6.786 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 74.457 7.052 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 74.919 8.232 -2.707 1.00 0.00 H new ATOM 946 N THR A 62 75.374 11.820 0.978 1.00 0.00 N ATOM 947 CA THR A 62 74.218 12.681 1.369 1.00 0.00 C ATOM 948 C THR A 62 74.108 13.849 0.377 1.00 0.00 C ATOM 949 O THR A 62 75.022 14.104 -0.379 1.00 0.00 O ATOM 950 CB THR A 62 74.443 13.216 2.789 1.00 0.00 C ATOM 951 OG1 THR A 62 74.565 12.122 3.689 1.00 0.00 O ATOM 952 CG2 THR A 62 73.257 14.086 3.206 1.00 0.00 C ATOM 0 H THR A 62 76.206 12.328 0.678 1.00 0.00 H new ATOM 0 HA THR A 62 73.295 12.102 1.349 1.00 0.00 H new ATOM 0 HB THR A 62 75.354 13.814 2.811 1.00 0.00 H new ATOM 0 HG1 THR A 62 74.711 12.460 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 62 73.420 14.464 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 62 73.160 14.924 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 62 72.344 13.491 3.185 1.00 0.00 H new ATOM 960 N ALA A 63 73.006 14.562 0.367 1.00 0.00 N ATOM 961 CA ALA A 63 72.880 15.706 -0.588 1.00 0.00 C ATOM 962 C ALA A 63 74.241 16.391 -0.689 1.00 0.00 C ATOM 963 O ALA A 63 74.645 16.856 -1.737 1.00 0.00 O ATOM 964 CB ALA A 63 71.840 16.707 -0.072 1.00 0.00 C ATOM 0 H ALA A 63 72.199 14.403 0.971 1.00 0.00 H new ATOM 0 HA ALA A 63 72.561 15.344 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 63 71.755 17.537 -0.773 1.00 0.00 H new ATOM 0 HB2 ALA A 63 70.874 16.211 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 63 72.151 17.085 0.902 1.00 0.00 H new ATOM 970 N THR A 64 74.951 16.442 0.404 1.00 0.00 N ATOM 971 CA THR A 64 76.295 17.078 0.404 1.00 0.00 C ATOM 972 C THR A 64 77.270 16.223 1.230 1.00 0.00 C ATOM 973 O THR A 64 78.088 16.744 1.962 1.00 0.00 O ATOM 974 CB THR A 64 76.196 18.473 1.025 1.00 0.00 C ATOM 975 OG1 THR A 64 75.247 19.250 0.306 1.00 0.00 O ATOM 976 CG2 THR A 64 77.565 19.149 0.967 1.00 0.00 C ATOM 0 H THR A 64 74.653 16.066 1.304 1.00 0.00 H new ATOM 0 HA THR A 64 76.658 17.156 -0.621 1.00 0.00 H new ATOM 0 HB THR A 64 75.875 18.388 2.063 1.00 0.00 H new ATOM 0 HG1 THR A 64 75.184 20.142 0.706 1.00 0.00 H new ATOM 0 HG21 THR A 64 77.499 20.143 1.409 1.00 0.00 H new ATOM 0 HG22 THR A 64 78.289 18.553 1.522 1.00 0.00 H new ATOM 0 HG23 THR A 64 77.885 19.234 -0.071 1.00 0.00 H new ATOM 984 N GLY A 65 77.186 14.916 1.132 1.00 0.00 N ATOM 985 CA GLY A 65 78.108 14.043 1.926 1.00 0.00 C ATOM 986 C GLY A 65 78.578 12.858 1.073 1.00 0.00 C ATOM 987 O GLY A 65 77.944 12.484 0.110 1.00 0.00 O ATOM 0 H GLY A 65 76.522 14.419 0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 65 78.968 14.621 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 65 77.598 13.679 2.818 1.00 0.00 H new ATOM 991 N TYR A 66 79.690 12.265 1.434 1.00 0.00 N ATOM 992 CA TYR A 66 80.230 11.107 0.662 1.00 0.00 C ATOM 993 C TYR A 66 81.348 10.442 1.468 1.00 0.00 C ATOM 994 O TYR A 66 81.851 9.404 1.105 1.00 0.00 O ATOM 995 CB TYR A 66 80.813 11.598 -0.667 1.00 0.00 C ATOM 996 CG TYR A 66 79.715 12.156 -1.534 1.00 0.00 C ATOM 997 CD1 TYR A 66 78.976 11.298 -2.357 1.00 0.00 C ATOM 998 CD2 TYR A 66 79.431 13.526 -1.516 1.00 0.00 C ATOM 999 CE1 TYR A 66 77.951 11.810 -3.160 1.00 0.00 C ATOM 1000 CE2 TYR A 66 78.406 14.039 -2.322 1.00 0.00 C ATOM 1001 CZ TYR A 66 77.666 13.179 -3.143 1.00 0.00 C ATOM 1002 OH TYR A 66 76.656 13.682 -3.935 1.00 0.00 O ATOM 0 H TYR A 66 80.251 12.539 2.240 1.00 0.00 H new ATOM 0 HA TYR A 66 79.425 10.397 0.473 1.00 0.00 H new ATOM 0 HB2 TYR A 66 81.567 12.363 -0.483 1.00 0.00 H new ATOM 0 HB3 TYR A 66 81.312 10.776 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 66 79.197 10.241 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 66 80.002 14.188 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 66 77.380 11.148 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 66 78.187 15.096 -2.310 1.00 0.00 H new ATOM 0 HH TYR A 66 76.589 14.651 -3.803 1.00 0.00 H new ATOM 1012 N GLY A 67 81.749 11.048 2.550 1.00 0.00 N ATOM 1013 CA GLY A 67 82.854 10.471 3.370 1.00 0.00 C ATOM 1014 C GLY A 67 84.114 11.302 3.117 1.00 0.00 C ATOM 1015 O GLY A 67 84.529 12.089 3.944 1.00 0.00 O ATOM 0 H GLY A 67 81.359 11.921 2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 67 82.592 10.488 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 67 83.024 9.429 3.100 1.00 0.00 H new ATOM 1019 N PHE A 68 84.703 11.152 1.962 1.00 0.00 N ATOM 1020 CA PHE A 68 85.913 11.949 1.621 1.00 0.00 C ATOM 1021 C PHE A 68 85.468 13.152 0.785 1.00 0.00 C ATOM 1022 O PHE A 68 85.044 13.002 -0.343 1.00 0.00 O ATOM 1023 CB PHE A 68 86.877 11.092 0.792 1.00 0.00 C ATOM 1024 CG PHE A 68 87.489 10.004 1.648 1.00 0.00 C ATOM 1025 CD1 PHE A 68 86.783 8.820 1.888 1.00 0.00 C ATOM 1026 CD2 PHE A 68 88.770 10.176 2.189 1.00 0.00 C ATOM 1027 CE1 PHE A 68 87.356 7.808 2.668 1.00 0.00 C ATOM 1028 CE2 PHE A 68 89.343 9.166 2.972 1.00 0.00 C ATOM 1029 CZ PHE A 68 88.637 7.981 3.211 1.00 0.00 C ATOM 0 H PHE A 68 84.394 10.506 1.235 1.00 0.00 H new ATOM 0 HA PHE A 68 86.417 12.276 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 68 86.345 10.646 -0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 68 87.664 11.720 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 68 85.796 8.687 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 68 89.316 11.089 2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 68 86.811 6.894 2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 68 90.329 9.301 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 68 89.079 7.201 3.813 1.00 0.00 H new ATOM 1039 N ALA A 69 85.545 14.338 1.318 1.00 0.00 N ATOM 1040 CA ALA A 69 85.106 15.522 0.527 1.00 0.00 C ATOM 1041 C ALA A 69 85.215 16.781 1.385 1.00 0.00 C ATOM 1042 O ALA A 69 84.336 17.100 2.161 1.00 0.00 O ATOM 1043 CB ALA A 69 83.655 15.325 0.088 1.00 0.00 C ATOM 0 H ALA A 69 85.889 14.539 2.257 1.00 0.00 H new ATOM 0 HA ALA A 69 85.742 15.630 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 69 83.330 16.189 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 69 83.579 14.427 -0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 69 83.020 15.218 0.968 1.00 0.00 H new ATOM 1049 N GLU A 70 86.289 17.498 1.239 1.00 0.00 N ATOM 1050 CA GLU A 70 86.479 18.745 2.028 1.00 0.00 C ATOM 1051 C GLU A 70 86.607 19.917 1.056 1.00 0.00 C ATOM 1052 O GLU A 70 87.023 19.747 -0.069 1.00 0.00 O ATOM 1053 CB GLU A 70 87.761 18.627 2.853 1.00 0.00 C ATOM 1054 CG GLU A 70 87.607 17.509 3.884 1.00 0.00 C ATOM 1055 CD GLU A 70 86.484 17.874 4.856 1.00 0.00 C ATOM 1056 OE1 GLU A 70 86.504 18.984 5.363 1.00 0.00 O ATOM 1057 OE2 GLU A 70 85.623 17.038 5.076 1.00 0.00 O ATOM 0 H GLU A 70 87.052 17.273 0.601 1.00 0.00 H new ATOM 0 HA GLU A 70 85.632 18.903 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 70 88.608 18.418 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 70 87.971 19.572 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 70 87.381 16.567 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 70 88.542 17.366 4.426 1.00 0.00 H new ATOM 1064 N PRO A 71 86.266 21.101 1.476 1.00 0.00 N ATOM 1065 CA PRO A 71 86.360 22.294 0.607 1.00 0.00 C ATOM 1066 C PRO A 71 87.555 22.191 -0.337 1.00 0.00 C ATOM 1067 O PRO A 71 87.467 22.509 -1.507 1.00 0.00 O ATOM 1068 CB PRO A 71 86.546 23.430 1.606 1.00 0.00 C ATOM 1069 CG PRO A 71 85.852 22.981 2.857 1.00 0.00 C ATOM 1070 CD PRO A 71 85.752 21.446 2.808 1.00 0.00 C ATOM 0 HA PRO A 71 85.491 22.427 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 71 87.603 23.621 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 71 86.115 24.358 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 71 86.407 23.301 3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 71 84.860 23.427 2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 71 86.343 20.982 3.597 1.00 0.00 H new ATOM 0 HD3 PRO A 71 84.724 21.108 2.939 1.00 0.00 H new ATOM 1078 N TYR A 72 88.668 21.727 0.156 1.00 0.00 N ATOM 1079 CA TYR A 72 89.858 21.576 -0.717 1.00 0.00 C ATOM 1080 C TYR A 72 89.601 20.442 -1.724 1.00 0.00 C ATOM 1081 O TYR A 72 89.880 20.571 -2.901 1.00 0.00 O ATOM 1082 CB TYR A 72 91.076 21.240 0.147 1.00 0.00 C ATOM 1083 CG TYR A 72 92.289 21.080 -0.734 1.00 0.00 C ATOM 1084 CD1 TYR A 72 93.058 22.200 -1.071 1.00 0.00 C ATOM 1085 CD2 TYR A 72 92.641 19.817 -1.220 1.00 0.00 C ATOM 1086 CE1 TYR A 72 94.181 22.057 -1.893 1.00 0.00 C ATOM 1087 CE2 TYR A 72 93.764 19.672 -2.046 1.00 0.00 C ATOM 1088 CZ TYR A 72 94.533 20.792 -2.382 1.00 0.00 C ATOM 1089 OH TYR A 72 95.635 20.651 -3.200 1.00 0.00 O ATOM 0 H TYR A 72 88.803 21.446 1.127 1.00 0.00 H new ATOM 0 HA TYR A 72 90.046 22.504 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 72 91.246 22.031 0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 72 90.896 20.322 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 72 92.784 23.175 -0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 72 92.048 18.953 -0.959 1.00 0.00 H new ATOM 0 HE1 TYR A 72 94.776 22.921 -2.150 1.00 0.00 H new ATOM 0 HE2 TYR A 72 94.036 18.697 -2.423 1.00 0.00 H new ATOM 0 HH TYR A 72 95.739 19.709 -3.449 1.00 0.00 H new ATOM 1099 N ASN A 73 89.060 19.336 -1.263 1.00 0.00 N ATOM 1100 CA ASN A 73 88.772 18.186 -2.185 1.00 0.00 C ATOM 1101 C ASN A 73 87.274 17.832 -2.129 1.00 0.00 C ATOM 1102 O ASN A 73 86.652 17.892 -1.091 1.00 0.00 O ATOM 1103 CB ASN A 73 89.604 16.965 -1.766 1.00 0.00 C ATOM 1104 CG ASN A 73 89.166 16.479 -0.381 1.00 0.00 C ATOM 1105 OD1 ASN A 73 88.217 16.981 0.182 1.00 0.00 O ATOM 1106 ND2 ASN A 73 89.828 15.513 0.198 1.00 0.00 N ATOM 0 H ASN A 73 88.805 19.180 -0.288 1.00 0.00 H new ATOM 0 HA ASN A 73 89.036 18.472 -3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 73 89.482 16.165 -2.496 1.00 0.00 H new ATOM 0 HB3 ASN A 73 90.663 17.224 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 73 89.546 15.183 1.121 1.00 0.00 H new ATOM 0 HD22 ASN A 73 90.627 15.088 -0.273 1.00 0.00 H new ATOM 1113 N LEU A 74 86.686 17.463 -3.238 1.00 0.00 N ATOM 1114 CA LEU A 74 85.235 17.110 -3.236 1.00 0.00 C ATOM 1115 C LEU A 74 84.977 15.982 -4.240 1.00 0.00 C ATOM 1116 O LEU A 74 84.871 16.205 -5.431 1.00 0.00 O ATOM 1117 CB LEU A 74 84.414 18.342 -3.631 1.00 0.00 C ATOM 1118 CG LEU A 74 84.538 19.411 -2.541 1.00 0.00 C ATOM 1119 CD1 LEU A 74 83.875 20.706 -3.018 1.00 0.00 C ATOM 1120 CD2 LEU A 74 83.843 18.923 -1.269 1.00 0.00 C ATOM 0 H LEU A 74 87.148 17.391 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 74 84.944 16.779 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 74 84.767 18.737 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 83.368 18.067 -3.768 1.00 0.00 H new ATOM 0 HG LEU A 74 85.592 19.597 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 74 83.963 21.467 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 74 84.368 21.054 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 74 82.821 20.520 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 74 83.930 19.683 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 74 82.789 18.738 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 74 84.313 18.000 -0.929 1.00 0.00 H new ATOM 1132 N TYR A 75 84.879 14.772 -3.766 1.00 0.00 N ATOM 1133 CA TYR A 75 84.635 13.625 -4.687 1.00 0.00 C ATOM 1134 C TYR A 75 83.152 13.549 -5.057 1.00 0.00 C ATOM 1135 O TYR A 75 82.284 13.590 -4.207 1.00 0.00 O ATOM 1136 CB TYR A 75 85.062 12.337 -3.990 1.00 0.00 C ATOM 1137 CG TYR A 75 86.563 12.340 -3.837 1.00 0.00 C ATOM 1138 CD1 TYR A 75 87.156 12.929 -2.711 1.00 0.00 C ATOM 1139 CD2 TYR A 75 87.363 11.761 -4.828 1.00 0.00 C ATOM 1140 CE1 TYR A 75 88.550 12.933 -2.578 1.00 0.00 C ATOM 1141 CE2 TYR A 75 88.756 11.767 -4.695 1.00 0.00 C ATOM 1142 CZ TYR A 75 89.349 12.353 -3.571 1.00 0.00 C ATOM 1143 OH TYR A 75 90.722 12.360 -3.441 1.00 0.00 O ATOM 0 H TYR A 75 84.957 14.526 -2.779 1.00 0.00 H new ATOM 0 HA TYR A 75 85.212 13.762 -5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 75 84.584 12.260 -3.014 1.00 0.00 H new ATOM 0 HB3 TYR A 75 84.744 11.471 -4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 75 86.539 13.379 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 75 86.905 11.309 -5.696 1.00 0.00 H new ATOM 0 HE1 TYR A 75 89.009 13.383 -1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 75 89.373 11.319 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 75 90.987 11.738 -2.732 1.00 0.00 H new ATOM 1153 N SER A 76 82.858 13.446 -6.326 1.00 0.00 N ATOM 1154 CA SER A 76 81.435 13.376 -6.769 1.00 0.00 C ATOM 1155 C SER A 76 80.952 11.920 -6.843 1.00 0.00 C ATOM 1156 O SER A 76 79.803 11.636 -6.576 1.00 0.00 O ATOM 1157 CB SER A 76 81.300 14.022 -8.149 1.00 0.00 C ATOM 1158 OG SER A 76 81.386 15.434 -8.019 1.00 0.00 O ATOM 0 H SER A 76 83.546 13.407 -7.078 1.00 0.00 H new ATOM 0 HA SER A 76 80.822 13.909 -6.042 1.00 0.00 H new ATOM 0 HB2 SER A 76 82.085 13.658 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 76 80.348 13.745 -8.601 1.00 0.00 H new ATOM 0 HG SER A 76 81.301 15.850 -8.902 1.00 0.00 H new ATOM 1164 N SER A 77 81.802 10.991 -7.212 1.00 0.00 N ATOM 1165 CA SER A 77 81.341 9.568 -7.302 1.00 0.00 C ATOM 1166 C SER A 77 82.257 8.653 -6.482 1.00 0.00 C ATOM 1167 O SER A 77 83.404 8.963 -6.230 1.00 0.00 O ATOM 1168 CB SER A 77 81.340 9.107 -8.763 1.00 0.00 C ATOM 1169 OG SER A 77 80.449 9.917 -9.518 1.00 0.00 O ATOM 0 H SER A 77 82.780 11.152 -7.451 1.00 0.00 H new ATOM 0 HA SER A 77 80.329 9.510 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.346 9.173 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.038 8.061 -8.825 1.00 0.00 H new ATOM 0 HG SER A 77 80.451 9.622 -10.453 1.00 0.00 H new ATOM 1175 N LEU A 78 81.745 7.520 -6.064 1.00 0.00 N ATOM 1176 CA LEU A 78 82.564 6.565 -5.258 1.00 0.00 C ATOM 1177 C LEU A 78 83.675 5.970 -6.121 1.00 0.00 C ATOM 1178 O LEU A 78 84.735 5.624 -5.637 1.00 0.00 O ATOM 1179 CB LEU A 78 81.669 5.438 -4.735 1.00 0.00 C ATOM 1180 CG LEU A 78 80.645 6.019 -3.760 1.00 0.00 C ATOM 1181 CD1 LEU A 78 79.749 4.905 -3.215 1.00 0.00 C ATOM 1182 CD2 LEU A 78 81.382 6.691 -2.602 1.00 0.00 C ATOM 0 H LEU A 78 80.789 7.216 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 78 83.010 7.100 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.161 4.947 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.273 4.679 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 78 80.026 6.750 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 78 79.023 5.329 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 78 79.224 4.424 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 78 80.361 4.168 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 78 80.657 7.108 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 78 82.000 5.955 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 78 82.015 7.490 -2.988 1.00 0.00 H new ATOM 1194 N LYS A 79 83.438 5.848 -7.396 1.00 0.00 N ATOM 1195 CA LYS A 79 84.475 5.277 -8.297 1.00 0.00 C ATOM 1196 C LYS A 79 85.730 6.149 -8.195 1.00 0.00 C ATOM 1197 O LYS A 79 86.838 5.657 -8.103 1.00 0.00 O ATOM 1198 CB LYS A 79 83.945 5.297 -9.736 1.00 0.00 C ATOM 1199 CG LYS A 79 82.817 4.268 -9.898 1.00 0.00 C ATOM 1200 CD LYS A 79 82.197 4.419 -11.293 1.00 0.00 C ATOM 1201 CE LYS A 79 81.025 3.445 -11.456 1.00 0.00 C ATOM 1202 NZ LYS A 79 80.418 3.621 -12.809 1.00 0.00 N ATOM 0 H LYS A 79 82.568 6.120 -7.854 1.00 0.00 H new ATOM 0 HA LYS A 79 84.712 4.251 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.577 6.293 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 79 84.753 5.075 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.207 3.259 -9.767 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.058 4.418 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 79 81.852 5.443 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 79 82.950 4.226 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.371 2.419 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.277 3.626 -10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.622 2.961 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.075 4.597 -12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 81.134 3.428 -13.538 1.00 0.00 H new ATOM 1216 N GLU A 80 85.555 7.443 -8.185 1.00 0.00 N ATOM 1217 CA GLU A 80 86.719 8.362 -8.061 1.00 0.00 C ATOM 1218 C GLU A 80 87.309 8.224 -6.654 1.00 0.00 C ATOM 1219 O GLU A 80 88.505 8.313 -6.457 1.00 0.00 O ATOM 1220 CB GLU A 80 86.263 9.804 -8.288 1.00 0.00 C ATOM 1221 CG GLU A 80 87.483 10.723 -8.272 1.00 0.00 C ATOM 1222 CD GLU A 80 88.238 10.586 -9.596 1.00 0.00 C ATOM 1223 OE1 GLU A 80 87.907 9.690 -10.354 1.00 0.00 O ATOM 1224 OE2 GLU A 80 89.134 11.381 -9.829 1.00 0.00 O ATOM 0 H GLU A 80 84.648 7.904 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 80 87.473 8.107 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.742 9.888 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.558 10.102 -7.512 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.172 11.757 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.137 10.464 -7.439 1.00 0.00 H new ATOM 1231 N LEU A 81 86.471 8.011 -5.673 1.00 0.00 N ATOM 1232 CA LEU A 81 86.970 7.856 -4.276 1.00 0.00 C ATOM 1233 C LEU A 81 87.931 6.674 -4.215 1.00 0.00 C ATOM 1234 O LEU A 81 89.018 6.769 -3.684 1.00 0.00 O ATOM 1235 CB LEU A 81 85.782 7.581 -3.343 1.00 0.00 C ATOM 1236 CG LEU A 81 86.267 7.434 -1.891 1.00 0.00 C ATOM 1237 CD1 LEU A 81 85.134 7.801 -0.932 1.00 0.00 C ATOM 1238 CD2 LEU A 81 86.682 5.985 -1.612 1.00 0.00 C ATOM 0 H LEU A 81 85.459 7.938 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 81 87.482 8.767 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 81 85.061 8.395 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.268 6.672 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 81 87.120 8.096 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.480 7.696 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.827 8.832 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.286 7.137 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 81 87.023 5.896 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.829 5.325 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.490 5.702 -2.287 1.00 0.00 H new ATOM 1250 N VAL A 82 87.527 5.555 -4.748 1.00 0.00 N ATOM 1251 CA VAL A 82 88.403 4.352 -4.712 1.00 0.00 C ATOM 1252 C VAL A 82 89.704 4.637 -5.466 1.00 0.00 C ATOM 1253 O VAL A 82 90.775 4.275 -5.023 1.00 0.00 O ATOM 1254 CB VAL A 82 87.670 3.167 -5.358 1.00 0.00 C ATOM 1255 CG1 VAL A 82 88.586 1.938 -5.413 1.00 0.00 C ATOM 1256 CG2 VAL A 82 86.435 2.834 -4.524 1.00 0.00 C ATOM 0 H VAL A 82 86.626 5.422 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 82 88.641 4.106 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 82 87.380 3.437 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.052 1.107 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.473 2.171 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.885 1.662 -4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.907 1.993 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.740 2.570 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.775 3.701 -4.490 1.00 0.00 H new ATOM 1266 N LEU A 83 89.626 5.267 -6.604 1.00 0.00 N ATOM 1267 CA LEU A 83 90.870 5.548 -7.375 1.00 0.00 C ATOM 1268 C LEU A 83 91.805 6.468 -6.576 1.00 0.00 C ATOM 1269 O LEU A 83 92.972 6.176 -6.407 1.00 0.00 O ATOM 1270 CB LEU A 83 90.505 6.204 -8.712 1.00 0.00 C ATOM 1271 CG LEU A 83 89.751 5.194 -9.583 1.00 0.00 C ATOM 1272 CD1 LEU A 83 89.176 5.896 -10.819 1.00 0.00 C ATOM 1273 CD2 LEU A 83 90.714 4.088 -10.027 1.00 0.00 C ATOM 0 H LEU A 83 88.761 5.598 -7.032 1.00 0.00 H new ATOM 0 HA LEU A 83 91.390 4.608 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.888 7.086 -8.541 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.407 6.540 -9.223 1.00 0.00 H new ATOM 0 HG LEU A 83 88.934 4.761 -9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.641 5.171 -11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.489 6.682 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.988 6.334 -11.399 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.180 3.368 -10.647 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.531 4.526 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.117 3.583 -9.149 1.00 0.00 H new ATOM 1285 N HIS A 84 91.316 7.577 -6.088 1.00 0.00 N ATOM 1286 CA HIS A 84 92.195 8.503 -5.310 1.00 0.00 C ATOM 1287 C HIS A 84 92.532 7.898 -3.939 1.00 0.00 C ATOM 1288 O HIS A 84 93.624 8.065 -3.429 1.00 0.00 O ATOM 1289 CB HIS A 84 91.484 9.848 -5.133 1.00 0.00 C ATOM 1290 CG HIS A 84 92.398 10.833 -4.447 1.00 0.00 C ATOM 1291 ND1 HIS A 84 92.446 10.960 -3.068 1.00 0.00 N ATOM 1292 CD2 HIS A 84 93.294 11.759 -4.938 1.00 0.00 C ATOM 1293 CE1 HIS A 84 93.337 11.928 -2.779 1.00 0.00 C ATOM 1294 NE2 HIS A 84 93.882 12.448 -3.881 1.00 0.00 N ATOM 0 H HIS A 84 90.349 7.883 -6.193 1.00 0.00 H new ATOM 0 HA HIS A 84 93.126 8.654 -5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 84 91.180 10.238 -6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.576 9.713 -4.546 1.00 0.00 H new ATOM 0 HD2 HIS A 84 93.507 11.925 -5.984 1.00 0.00 H new ATOM 0 HE1 HIS A 84 93.581 12.245 -1.776 1.00 0.00 H new ATOM 0 HE2 HIS A 84 94.579 13.190 -3.937 1.00 0.00 H new ATOM 1302 N TYR A 85 91.605 7.205 -3.330 1.00 0.00 N ATOM 1303 CA TYR A 85 91.880 6.601 -1.989 1.00 0.00 C ATOM 1304 C TYR A 85 93.060 5.629 -2.116 1.00 0.00 C ATOM 1305 O TYR A 85 93.725 5.308 -1.148 1.00 0.00 O ATOM 1306 CB TYR A 85 90.623 5.858 -1.509 1.00 0.00 C ATOM 1307 CG TYR A 85 90.748 5.475 -0.050 1.00 0.00 C ATOM 1308 CD1 TYR A 85 90.928 6.467 0.924 1.00 0.00 C ATOM 1309 CD2 TYR A 85 90.663 4.131 0.332 1.00 0.00 C ATOM 1310 CE1 TYR A 85 91.028 6.112 2.275 1.00 0.00 C ATOM 1311 CE2 TYR A 85 90.764 3.776 1.682 1.00 0.00 C ATOM 1312 CZ TYR A 85 90.947 4.768 2.655 1.00 0.00 C ATOM 1313 OH TYR A 85 91.044 4.419 3.990 1.00 0.00 O ATOM 0 H TYR A 85 90.671 7.031 -3.701 1.00 0.00 H new ATOM 0 HA TYR A 85 92.132 7.376 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 85 89.746 6.490 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 85 90.471 4.963 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.990 7.505 0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 85 90.519 3.366 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 85 91.168 6.877 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 85 90.701 2.738 1.974 1.00 0.00 H new ATOM 0 HH TYR A 85 90.147 4.274 4.356 1.00 0.00 H new ATOM 1323 N GLN A 86 93.336 5.173 -3.309 1.00 0.00 N ATOM 1324 CA GLN A 86 94.492 4.249 -3.509 1.00 0.00 C ATOM 1325 C GLN A 86 95.774 5.076 -3.560 1.00 0.00 C ATOM 1326 O GLN A 86 96.848 4.595 -3.261 1.00 0.00 O ATOM 1327 CB GLN A 86 94.335 3.479 -4.832 1.00 0.00 C ATOM 1328 CG GLN A 86 95.600 2.656 -5.090 1.00 0.00 C ATOM 1329 CD GLN A 86 96.352 3.215 -6.301 1.00 0.00 C ATOM 1330 OE1 GLN A 86 96.406 4.411 -6.502 1.00 0.00 O ATOM 1331 NE2 GLN A 86 96.944 2.386 -7.116 1.00 0.00 N ATOM 0 H GLN A 86 92.811 5.400 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 86 94.531 3.534 -2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.465 2.825 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.166 4.175 -5.654 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.243 2.678 -4.210 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.336 1.613 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.897 1.382 -6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.454 2.742 -7.924 1.00 0.00 H new ATOM 1340 N HIS A 87 95.673 6.319 -3.944 1.00 0.00 N ATOM 1341 CA HIS A 87 96.889 7.173 -4.013 1.00 0.00 C ATOM 1342 C HIS A 87 96.982 8.013 -2.740 1.00 0.00 C ATOM 1343 O HIS A 87 97.963 8.688 -2.494 1.00 0.00 O ATOM 1344 CB HIS A 87 96.811 8.079 -5.246 1.00 0.00 C ATOM 1345 CG HIS A 87 98.102 8.833 -5.406 1.00 0.00 C ATOM 1346 ND1 HIS A 87 99.278 8.209 -5.791 1.00 0.00 N ATOM 1347 CD2 HIS A 87 98.417 10.161 -5.250 1.00 0.00 C ATOM 1348 CE1 HIS A 87 100.236 9.151 -5.856 1.00 0.00 C ATOM 1349 NE2 HIS A 87 99.764 10.359 -5.534 1.00 0.00 N ATOM 0 H HIS A 87 94.802 6.778 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 87 97.779 6.548 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.616 7.481 -6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 87 95.981 8.778 -5.143 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.724 10.934 -4.952 1.00 0.00 H new ATOM 0 HE1 HIS A 87 101.261 8.955 -6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.281 11.238 -5.503 1.00 0.00 H new ATOM 1357 N THR A 88 95.965 7.972 -1.920 1.00 0.00 N ATOM 1358 CA THR A 88 95.992 8.759 -0.658 1.00 0.00 C ATOM 1359 C THR A 88 96.435 7.852 0.489 1.00 0.00 C ATOM 1360 O THR A 88 96.047 6.703 0.571 1.00 0.00 O ATOM 1361 CB THR A 88 94.593 9.294 -0.374 1.00 0.00 C ATOM 1362 OG1 THR A 88 94.122 9.995 -1.515 1.00 0.00 O ATOM 1363 CG2 THR A 88 94.650 10.236 0.825 1.00 0.00 C ATOM 0 H THR A 88 95.117 7.426 -2.072 1.00 0.00 H new ATOM 0 HA THR A 88 96.689 9.592 -0.754 1.00 0.00 H new ATOM 0 HB THR A 88 93.916 8.469 -0.152 1.00 0.00 H new ATOM 0 HG1 THR A 88 93.149 9.895 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 88 93.652 10.622 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.018 9.694 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.321 11.066 0.604 1.00 0.00 H new ATOM 1371 N SER A 89 97.251 8.354 1.376 1.00 0.00 N ATOM 1372 CA SER A 89 97.722 7.516 2.513 1.00 0.00 C ATOM 1373 C SER A 89 96.725 7.622 3.668 1.00 0.00 C ATOM 1374 O SER A 89 96.332 8.699 4.067 1.00 0.00 O ATOM 1375 CB SER A 89 99.095 8.004 2.977 1.00 0.00 C ATOM 1376 OG SER A 89 99.510 7.247 4.110 1.00 0.00 O ATOM 0 H SER A 89 97.611 9.308 1.361 1.00 0.00 H new ATOM 0 HA SER A 89 97.799 6.477 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.821 7.900 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.050 9.063 3.231 1.00 0.00 H new ATOM 0 HG SER A 89 100.449 7.444 4.309 1.00 0.00 H new ATOM 1382 N LEU A 90 96.309 6.507 4.204 1.00 0.00 N ATOM 1383 CA LEU A 90 95.335 6.533 5.334 1.00 0.00 C ATOM 1384 C LEU A 90 96.025 7.034 6.609 1.00 0.00 C ATOM 1385 O LEU A 90 95.379 7.411 7.565 1.00 0.00 O ATOM 1386 CB LEU A 90 94.808 5.117 5.587 1.00 0.00 C ATOM 1387 CG LEU A 90 93.710 4.766 4.576 1.00 0.00 C ATOM 1388 CD1 LEU A 90 94.298 4.656 3.164 1.00 0.00 C ATOM 1389 CD2 LEU A 90 93.084 3.427 4.976 1.00 0.00 C ATOM 0 H LEU A 90 96.602 5.576 3.908 1.00 0.00 H new ATOM 0 HA LEU A 90 94.513 7.200 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.625 4.399 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.414 5.045 6.601 1.00 0.00 H new ATOM 0 HG LEU A 90 92.954 5.551 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.506 4.406 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.748 5.608 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 90 95.059 3.876 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 90 92.301 3.165 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 90 93.850 2.652 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.655 3.510 5.974 1.00 0.00 H new ATOM 1401 N VAL A 91 97.332 7.021 6.638 1.00 0.00 N ATOM 1402 CA VAL A 91 98.058 7.473 7.862 1.00 0.00 C ATOM 1403 C VAL A 91 97.339 8.655 8.491 1.00 0.00 C ATOM 1404 O VAL A 91 97.207 8.722 9.694 1.00 0.00 O ATOM 1405 CB VAL A 91 99.486 7.892 7.496 1.00 0.00 C ATOM 1406 CG1 VAL A 91 99.447 8.979 6.418 1.00 0.00 C ATOM 1407 CG2 VAL A 91 100.191 8.440 8.743 1.00 0.00 C ATOM 0 H VAL A 91 97.928 6.717 5.868 1.00 0.00 H new ATOM 0 HA VAL A 91 98.088 6.647 8.573 1.00 0.00 H new ATOM 0 HB VAL A 91 100.029 7.026 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.465 9.273 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.946 8.593 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 91 98.903 9.845 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.207 8.739 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.644 9.304 9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.224 7.668 9.511 1.00 0.00 H new ATOM 1417 N GLN A 92 96.877 9.582 7.697 1.00 0.00 N ATOM 1418 CA GLN A 92 96.182 10.771 8.264 1.00 0.00 C ATOM 1419 C GLN A 92 95.138 10.340 9.292 1.00 0.00 C ATOM 1420 O GLN A 92 94.854 11.055 10.231 1.00 0.00 O ATOM 1421 CB GLN A 92 95.479 11.540 7.152 1.00 0.00 C ATOM 1422 CG GLN A 92 94.938 12.846 7.726 1.00 0.00 C ATOM 1423 CD GLN A 92 94.277 13.651 6.613 1.00 0.00 C ATOM 1424 OE1 GLN A 92 94.610 13.498 5.456 1.00 0.00 O ATOM 1425 NE2 GLN A 92 93.344 14.508 6.916 1.00 0.00 N ATOM 0 H GLN A 92 96.951 9.567 6.680 1.00 0.00 H new ATOM 0 HA GLN A 92 96.928 11.404 8.745 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.173 11.745 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.666 10.945 6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 92 94.217 12.638 8.517 1.00 0.00 H new ATOM 0 HG3 GLN A 92 95.747 13.422 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 92 93.065 14.636 7.889 1.00 0.00 H new ATOM 0 HE22 GLN A 92 92.892 15.051 6.180 1.00 0.00 H new ATOM 1434 N HIS A 93 94.562 9.184 9.129 1.00 0.00 N ATOM 1435 CA HIS A 93 93.540 8.730 10.110 1.00 0.00 C ATOM 1436 C HIS A 93 94.246 8.096 11.305 1.00 0.00 C ATOM 1437 O HIS A 93 95.120 7.268 11.155 1.00 0.00 O ATOM 1438 CB HIS A 93 92.611 7.715 9.445 1.00 0.00 C ATOM 1439 CG HIS A 93 91.835 8.399 8.355 1.00 0.00 C ATOM 1440 ND1 HIS A 93 90.655 9.071 8.614 1.00 0.00 N ATOM 1441 CD2 HIS A 93 92.062 8.542 7.007 1.00 0.00 C ATOM 1442 CE1 HIS A 93 90.216 9.586 7.452 1.00 0.00 C ATOM 1443 NE2 HIS A 93 91.038 9.294 6.439 1.00 0.00 N ATOM 0 H HIS A 93 94.753 8.537 8.364 1.00 0.00 H new ATOM 0 HA HIS A 93 92.947 9.578 10.451 1.00 0.00 H new ATOM 0 HB2 HIS A 93 93.190 6.889 9.033 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.929 7.290 10.182 1.00 0.00 H new ATOM 0 HD2 HIS A 93 92.906 8.133 6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 93 89.310 10.165 7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 93 90.937 9.564 5.461 1.00 0.00 H new ATOM 1451 N ASN A 94 93.891 8.501 12.494 1.00 0.00 N ATOM 1452 CA ASN A 94 94.564 7.944 13.696 1.00 0.00 C ATOM 1453 C ASN A 94 96.060 8.232 13.570 1.00 0.00 C ATOM 1454 O ASN A 94 96.867 7.771 14.352 1.00 0.00 O ATOM 1455 CB ASN A 94 94.319 6.430 13.785 1.00 0.00 C ATOM 1456 CG ASN A 94 92.834 6.155 14.057 1.00 0.00 C ATOM 1457 OD1 ASN A 94 92.267 6.688 14.991 1.00 0.00 O ATOM 1458 ND2 ASN A 94 92.180 5.334 13.279 1.00 0.00 N ATOM 0 H ASN A 94 93.165 9.192 12.682 1.00 0.00 H new ATOM 0 HA ASN A 94 94.166 8.403 14.601 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.622 5.949 12.855 1.00 0.00 H new ATOM 0 HB3 ASN A 94 94.929 6.000 14.580 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.194 5.141 13.455 1.00 0.00 H new ATOM 0 HD22 ASN A 94 92.655 4.887 12.495 1.00 0.00 H new ATOM 1465 N ASP A 95 96.432 9.005 12.583 1.00 0.00 N ATOM 1466 CA ASP A 95 97.870 9.340 12.393 1.00 0.00 C ATOM 1467 C ASP A 95 98.703 8.073 12.539 1.00 0.00 C ATOM 1468 O ASP A 95 99.807 8.103 13.042 1.00 0.00 O ATOM 1469 CB ASP A 95 98.299 10.358 13.453 1.00 0.00 C ATOM 1470 CG ASP A 95 99.722 10.837 13.162 1.00 0.00 C ATOM 1471 OD1 ASP A 95 100.218 10.542 12.087 1.00 0.00 O ATOM 1472 OD2 ASP A 95 100.294 11.489 14.020 1.00 0.00 O ATOM 0 H ASP A 95 95.798 9.419 11.900 1.00 0.00 H new ATOM 0 HA ASP A 95 98.021 9.765 11.400 1.00 0.00 H new ATOM 0 HB2 ASP A 95 97.613 11.205 13.456 1.00 0.00 H new ATOM 0 HB3 ASP A 95 98.252 9.907 14.444 1.00 0.00 H new ATOM 1477 N SER A 96 98.187 6.960 12.107 1.00 0.00 N ATOM 1478 CA SER A 96 98.963 5.702 12.236 1.00 0.00 C ATOM 1479 C SER A 96 98.476 4.688 11.211 1.00 0.00 C ATOM 1480 O SER A 96 98.775 3.513 11.301 1.00 0.00 O ATOM 1481 CB SER A 96 98.780 5.134 13.641 1.00 0.00 C ATOM 1482 OG SER A 96 99.254 6.079 14.593 1.00 0.00 O ATOM 0 H SER A 96 97.268 6.868 11.673 1.00 0.00 H new ATOM 0 HA SER A 96 100.018 5.911 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.728 4.913 13.823 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.325 4.195 13.740 1.00 0.00 H new ATOM 0 HG SER A 96 99.842 6.725 14.148 1.00 0.00 H new ATOM 1488 N LEU A 97 97.743 5.120 10.228 1.00 0.00 N ATOM 1489 CA LEU A 97 97.263 4.150 9.212 1.00 0.00 C ATOM 1490 C LEU A 97 98.142 4.291 7.987 1.00 0.00 C ATOM 1491 O LEU A 97 97.752 4.848 6.981 1.00 0.00 O ATOM 1492 CB LEU A 97 95.811 4.443 8.853 1.00 0.00 C ATOM 1493 CG LEU A 97 94.938 4.248 10.091 1.00 0.00 C ATOM 1494 CD1 LEU A 97 93.468 4.437 9.715 1.00 0.00 C ATOM 1495 CD2 LEU A 97 95.149 2.837 10.635 1.00 0.00 C ATOM 0 H LEU A 97 97.459 6.089 10.085 1.00 0.00 H new ATOM 0 HA LEU A 97 97.316 3.133 9.602 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.714 5.463 8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.481 3.781 8.053 1.00 0.00 H new ATOM 0 HG LEU A 97 95.211 4.979 10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.846 4.298 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.319 5.443 9.321 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.190 3.706 8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.528 2.691 11.519 1.00 0.00 H new ATOM 0 HD22 LEU A 97 94.872 2.108 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 97 96.197 2.703 10.901 1.00 0.00 H new ATOM 1507 N ASN A 98 99.339 3.804 8.076 1.00 0.00 N ATOM 1508 CA ASN A 98 100.275 3.928 6.937 1.00 0.00 C ATOM 1509 C ASN A 98 99.952 2.874 5.881 1.00 0.00 C ATOM 1510 O ASN A 98 100.529 1.804 5.848 1.00 0.00 O ATOM 1511 CB ASN A 98 101.696 3.743 7.465 1.00 0.00 C ATOM 1512 CG ASN A 98 102.708 4.132 6.386 1.00 0.00 C ATOM 1513 OD1 ASN A 98 103.838 3.684 6.409 1.00 0.00 O ATOM 1514 ND2 ASN A 98 102.352 4.956 5.440 1.00 0.00 N ATOM 0 H ASN A 98 99.712 3.322 8.894 1.00 0.00 H new ATOM 0 HA ASN A 98 100.180 4.909 6.472 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.846 4.356 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.850 2.706 7.763 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.022 5.225 4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.404 5.332 5.421 1.00 0.00 H new ATOM 1521 N VAL A 99 99.027 3.179 5.016 1.00 0.00 N ATOM 1522 CA VAL A 99 98.648 2.220 3.947 1.00 0.00 C ATOM 1523 C VAL A 99 97.832 2.952 2.887 1.00 0.00 C ATOM 1524 O VAL A 99 97.321 4.034 3.107 1.00 0.00 O ATOM 1525 CB VAL A 99 97.805 1.090 4.545 1.00 0.00 C ATOM 1526 CG1 VAL A 99 96.401 1.609 4.868 1.00 0.00 C ATOM 1527 CG2 VAL A 99 97.703 -0.071 3.550 1.00 0.00 C ATOM 0 H VAL A 99 98.514 4.060 5.005 1.00 0.00 H new ATOM 0 HA VAL A 99 99.548 1.800 3.497 1.00 0.00 H new ATOM 0 HB VAL A 99 98.283 0.738 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.804 0.802 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.471 2.426 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.927 1.969 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.102 -0.870 3.984 1.00 0.00 H new ATOM 0 HG22 VAL A 99 97.233 0.278 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.701 -0.448 3.327 1.00 0.00 H new ATOM 1537 N THR A 100 97.701 2.361 1.741 1.00 0.00 N ATOM 1538 CA THR A 100 96.911 2.989 0.650 1.00 0.00 C ATOM 1539 C THR A 100 96.021 1.923 0.030 1.00 0.00 C ATOM 1540 O THR A 100 96.486 0.855 -0.307 1.00 0.00 O ATOM 1541 CB THR A 100 97.869 3.534 -0.408 1.00 0.00 C ATOM 1542 OG1 THR A 100 98.654 2.467 -0.924 1.00 0.00 O ATOM 1543 CG2 THR A 100 98.781 4.591 0.217 1.00 0.00 C ATOM 0 H THR A 100 98.112 1.457 1.508 1.00 0.00 H new ATOM 0 HA THR A 100 96.301 3.804 1.039 1.00 0.00 H new ATOM 0 HB THR A 100 97.298 3.990 -1.217 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.213 1.613 -0.731 1.00 0.00 H new ATOM 0 HG21 THR A 100 99.463 4.977 -0.541 1.00 0.00 H new ATOM 0 HG22 THR A 100 98.175 5.407 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 100 99.356 4.143 1.027 1.00 0.00 H new ATOM 1551 N LEU A 101 94.759 2.198 -0.156 1.00 0.00 N ATOM 1552 CA LEU A 101 93.894 1.178 -0.792 1.00 0.00 C ATOM 1553 C LEU A 101 94.591 0.769 -2.087 1.00 0.00 C ATOM 1554 O LEU A 101 94.496 1.432 -3.096 1.00 0.00 O ATOM 1555 CB LEU A 101 92.507 1.789 -1.036 1.00 0.00 C ATOM 1556 CG LEU A 101 91.989 1.487 -2.444 1.00 0.00 C ATOM 1557 CD1 LEU A 101 92.171 0.005 -2.798 1.00 0.00 C ATOM 1558 CD2 LEU A 101 90.507 1.837 -2.507 1.00 0.00 C ATOM 0 H LEU A 101 94.300 3.071 0.102 1.00 0.00 H new ATOM 0 HA LEU A 101 93.746 0.296 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.804 1.399 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 101 92.555 2.868 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 101 92.558 2.082 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 101 91.794 -0.178 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 101 93.229 -0.252 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 101 91.619 -0.609 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.126 1.626 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 101 89.961 1.240 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 101 90.373 2.895 -2.283 1.00 0.00 H new ATOM 1570 N ALA A 102 95.344 -0.288 -2.064 1.00 0.00 N ATOM 1571 CA ALA A 102 96.077 -0.666 -3.295 1.00 0.00 C ATOM 1572 C ALA A 102 95.273 -1.643 -4.162 1.00 0.00 C ATOM 1573 O ALA A 102 95.121 -1.432 -5.348 1.00 0.00 O ATOM 1574 CB ALA A 102 97.407 -1.314 -2.907 1.00 0.00 C ATOM 0 H ALA A 102 95.483 -0.899 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 102 96.245 0.239 -3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.952 -1.595 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 102 98.002 -0.606 -2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.217 -2.203 -2.306 1.00 0.00 H new ATOM 1580 N TYR A 103 94.785 -2.722 -3.607 1.00 0.00 N ATOM 1581 CA TYR A 103 94.039 -3.699 -4.455 1.00 0.00 C ATOM 1582 C TYR A 103 92.674 -4.061 -3.852 1.00 0.00 C ATOM 1583 O TYR A 103 92.567 -4.318 -2.672 1.00 0.00 O ATOM 1584 CB TYR A 103 94.872 -4.977 -4.572 1.00 0.00 C ATOM 1585 CG TYR A 103 96.157 -4.672 -5.302 1.00 0.00 C ATOM 1586 CD1 TYR A 103 96.173 -4.662 -6.700 1.00 0.00 C ATOM 1587 CD2 TYR A 103 97.328 -4.399 -4.586 1.00 0.00 C ATOM 1588 CE1 TYR A 103 97.362 -4.376 -7.386 1.00 0.00 C ATOM 1589 CE2 TYR A 103 98.518 -4.115 -5.269 1.00 0.00 C ATOM 1590 CZ TYR A 103 98.535 -4.102 -6.669 1.00 0.00 C ATOM 1591 OH TYR A 103 99.711 -3.818 -7.336 1.00 0.00 O ATOM 0 H TYR A 103 94.868 -2.967 -2.620 1.00 0.00 H new ATOM 0 HA TYR A 103 93.868 -3.240 -5.429 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.089 -5.375 -3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.310 -5.743 -5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 103 95.269 -4.875 -7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.314 -4.407 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 103 97.374 -4.367 -8.466 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.422 -3.906 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 103 100.424 -3.652 -6.685 1.00 0.00 H new ATOM 1601 N PRO A 104 91.642 -4.132 -4.669 1.00 0.00 N ATOM 1602 CA PRO A 104 90.280 -4.530 -4.200 1.00 0.00 C ATOM 1603 C PRO A 104 90.320 -5.857 -3.442 1.00 0.00 C ATOM 1604 O PRO A 104 91.252 -6.627 -3.572 1.00 0.00 O ATOM 1605 CB PRO A 104 89.468 -4.697 -5.482 1.00 0.00 C ATOM 1606 CG PRO A 104 90.182 -3.906 -6.528 1.00 0.00 C ATOM 1607 CD PRO A 104 91.653 -3.830 -6.113 1.00 0.00 C ATOM 0 HA PRO A 104 89.859 -3.792 -3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.399 -5.747 -5.766 1.00 0.00 H new ATOM 0 HB3 PRO A 104 88.448 -4.336 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 104 90.082 -4.380 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 104 89.754 -2.907 -6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.259 -4.548 -6.665 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.071 -2.843 -6.309 1.00 0.00 H new ATOM 1615 N VAL A 105 89.320 -6.134 -2.658 1.00 0.00 N ATOM 1616 CA VAL A 105 89.306 -7.418 -1.900 1.00 0.00 C ATOM 1617 C VAL A 105 88.988 -8.576 -2.852 1.00 0.00 C ATOM 1618 O VAL A 105 89.458 -9.681 -2.677 1.00 0.00 O ATOM 1619 CB VAL A 105 88.268 -7.341 -0.787 1.00 0.00 C ATOM 1620 CG1 VAL A 105 86.928 -6.888 -1.361 1.00 0.00 C ATOM 1621 CG2 VAL A 105 88.110 -8.720 -0.134 1.00 0.00 C ATOM 0 H VAL A 105 88.512 -5.530 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 105 90.286 -7.592 -1.455 1.00 0.00 H new ATOM 0 HB VAL A 105 88.598 -6.622 -0.037 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.189 -6.834 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.041 -5.904 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.595 -7.601 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.367 -8.663 0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.785 -9.442 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.066 -9.036 0.284 1.00 0.00 H new ATOM 1631 N TYR A 106 88.203 -8.325 -3.866 1.00 0.00 N ATOM 1632 CA TYR A 106 87.866 -9.401 -4.843 1.00 0.00 C ATOM 1633 C TYR A 106 88.509 -9.078 -6.191 1.00 0.00 C ATOM 1634 O TYR A 106 87.970 -9.371 -7.240 1.00 0.00 O ATOM 1635 CB TYR A 106 86.348 -9.507 -5.002 1.00 0.00 C ATOM 1636 CG TYR A 106 85.792 -10.440 -3.948 1.00 0.00 C ATOM 1637 CD1 TYR A 106 85.842 -11.820 -4.162 1.00 0.00 C ATOM 1638 CD2 TYR A 106 85.223 -9.937 -2.768 1.00 0.00 C ATOM 1639 CE1 TYR A 106 85.325 -12.702 -3.206 1.00 0.00 C ATOM 1640 CE2 TYR A 106 84.704 -10.823 -1.808 1.00 0.00 C ATOM 1641 CZ TYR A 106 84.757 -12.204 -2.029 1.00 0.00 C ATOM 1642 OH TYR A 106 84.246 -13.076 -1.090 1.00 0.00 O ATOM 0 H TYR A 106 87.779 -7.418 -4.060 1.00 0.00 H new ATOM 0 HA TYR A 106 88.247 -10.354 -4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.892 -8.521 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.101 -9.877 -5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.282 -12.208 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.184 -8.871 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.365 -13.768 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.264 -10.438 -0.900 1.00 0.00 H new ATOM 0 HH TYR A 106 83.890 -12.568 -0.331 1.00 0.00 H new ATOM 1652 N ALA A 107 89.663 -8.476 -6.163 1.00 0.00 N ATOM 1653 CA ALA A 107 90.363 -8.124 -7.427 1.00 0.00 C ATOM 1654 C ALA A 107 91.025 -9.372 -8.015 1.00 0.00 C ATOM 1655 O ALA A 107 90.997 -9.599 -9.209 1.00 0.00 O ATOM 1656 CB ALA A 107 91.431 -7.072 -7.122 1.00 0.00 C ATOM 0 H ALA A 107 90.156 -8.210 -5.310 1.00 0.00 H new ATOM 0 HA ALA A 107 89.647 -7.729 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 107 91.952 -6.805 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 107 90.958 -6.184 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.145 -7.476 -6.405 1.00 0.00 H new ATOM 1662 N GLN A 108 91.635 -10.175 -7.187 1.00 0.00 N ATOM 1663 CA GLN A 108 92.320 -11.401 -7.692 1.00 0.00 C ATOM 1664 C GLN A 108 91.295 -12.408 -8.224 1.00 0.00 C ATOM 1665 O GLN A 108 91.587 -13.190 -9.110 1.00 0.00 O ATOM 1666 CB GLN A 108 93.102 -12.051 -6.553 1.00 0.00 C ATOM 1667 CG GLN A 108 94.138 -11.064 -6.018 1.00 0.00 C ATOM 1668 CD GLN A 108 94.981 -11.750 -4.944 1.00 0.00 C ATOM 1669 OE1 GLN A 108 95.390 -12.884 -5.109 1.00 0.00 O ATOM 1670 NE2 GLN A 108 95.260 -11.108 -3.846 1.00 0.00 N ATOM 0 H GLN A 108 91.689 -10.035 -6.178 1.00 0.00 H new ATOM 0 HA GLN A 108 92.994 -11.115 -8.499 1.00 0.00 H new ATOM 0 HB2 GLN A 108 92.422 -12.349 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 108 93.595 -12.956 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 108 94.776 -10.714 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 108 93.641 -10.187 -5.602 1.00 0.00 H new ATOM 0 HE21 GLN A 108 94.916 -10.157 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 108 95.822 -11.556 -3.122 1.00 0.00 H new ATOM 1679 N GLN A 109 90.106 -12.415 -7.683 1.00 0.00 N ATOM 1680 CA GLN A 109 89.077 -13.391 -8.154 1.00 0.00 C ATOM 1681 C GLN A 109 88.214 -12.763 -9.244 1.00 0.00 C ATOM 1682 O GLN A 109 87.641 -11.706 -9.070 1.00 0.00 O ATOM 1683 CB GLN A 109 88.197 -13.813 -6.978 1.00 0.00 C ATOM 1684 CG GLN A 109 89.036 -14.646 -6.012 1.00 0.00 C ATOM 1685 CD GLN A 109 88.193 -15.046 -4.801 1.00 0.00 C ATOM 1686 OE1 GLN A 109 86.982 -15.114 -4.882 1.00 0.00 O ATOM 1687 NE2 GLN A 109 88.790 -15.321 -3.674 1.00 0.00 N ATOM 0 H GLN A 109 89.802 -11.789 -6.937 1.00 0.00 H new ATOM 0 HA GLN A 109 89.580 -14.266 -8.565 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.798 -12.935 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 109 87.344 -14.391 -7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 109 89.409 -15.537 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 109 89.906 -14.075 -5.688 1.00 0.00 H new ATOM 0 HE21 GLN A 109 89.806 -15.263 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 109 88.241 -15.594 -2.859 1.00 0.00 H new ATOM 1696 N ARG A 110 88.116 -13.410 -10.370 1.00 0.00 N ATOM 1697 CA ARG A 110 87.294 -12.864 -11.477 1.00 0.00 C ATOM 1698 C ARG A 110 86.356 -13.948 -11.995 1.00 0.00 C ATOM 1699 O ARG A 110 86.658 -15.125 -11.938 1.00 0.00 O ATOM 1700 CB ARG A 110 88.211 -12.392 -12.601 1.00 0.00 C ATOM 1701 CG ARG A 110 89.141 -11.312 -12.058 1.00 0.00 C ATOM 1702 CD ARG A 110 90.098 -10.873 -13.160 1.00 0.00 C ATOM 1703 NE ARG A 110 89.345 -10.079 -14.166 1.00 0.00 N ATOM 1704 CZ ARG A 110 89.985 -9.378 -15.056 1.00 0.00 C ATOM 1705 NH1 ARG A 110 91.289 -9.404 -15.083 1.00 0.00 N ATOM 1706 NH2 ARG A 110 89.323 -8.656 -15.916 1.00 0.00 N ATOM 0 H ARG A 110 88.574 -14.299 -10.570 1.00 0.00 H new ATOM 0 HA ARG A 110 86.703 -12.022 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 110 88.791 -13.228 -12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 110 87.621 -12.000 -13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 110 88.561 -10.460 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 110 89.701 -11.693 -11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 110 90.908 -10.277 -12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 110 90.554 -11.743 -13.632 1.00 0.00 H new ATOM 0 HE ARG A 110 88.325 -10.084 -14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 110 91.802 -9.972 -14.409 1.00 0.00 H new ATOM 0 HH12 ARG A 110 91.796 -8.856 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 110 88.303 -8.641 -15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 110 89.825 -8.106 -16.614 1.00 0.00 H new ATOM 1720 N ARG A 111 85.221 -13.559 -12.490 1.00 0.00 N ATOM 1721 CA ARG A 111 84.248 -14.551 -13.011 1.00 0.00 C ATOM 1722 C ARG A 111 84.175 -14.433 -14.535 1.00 0.00 C ATOM 1723 O ARG A 111 83.920 -15.439 -15.178 1.00 0.00 O ATOM 1724 CB ARG A 111 82.874 -14.252 -12.409 1.00 0.00 C ATOM 1725 CG ARG A 111 82.912 -14.480 -10.895 1.00 0.00 C ATOM 1726 CD ARG A 111 81.479 -14.508 -10.356 1.00 0.00 C ATOM 1727 NE ARG A 111 81.353 -13.561 -9.207 1.00 0.00 N ATOM 1728 CZ ARG A 111 82.267 -13.529 -8.279 1.00 0.00 C ATOM 1729 NH1 ARG A 111 83.245 -14.389 -8.306 1.00 0.00 N ATOM 1730 NH2 ARG A 111 82.184 -12.666 -7.303 1.00 0.00 N ATOM 1731 OXT ARG A 111 84.377 -13.339 -15.033 1.00 0.00 O ATOM 0 H ARG A 111 84.922 -12.586 -12.557 1.00 0.00 H new ATOM 0 HA ARG A 111 84.559 -15.560 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 111 82.588 -13.222 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 111 82.120 -14.894 -12.864 1.00 0.00 H new ATOM 0 HG2 ARG A 111 83.417 -15.419 -10.669 1.00 0.00 H new ATOM 0 HG3 ARG A 111 83.481 -13.687 -10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 111 80.778 -14.233 -11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 111 81.220 -15.518 -10.037 1.00 0.00 H new ATOM 0 HE ARG A 111 80.548 -12.937 -9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 111 83.293 -15.084 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 111 83.963 -14.368 -7.582 1.00 0.00 H new ATOM 0 HH21 ARG A 111 81.401 -12.013 -7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 111 82.902 -12.645 -6.579 1.00 0.00 H new TER 1745 ARG A 111