USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 764 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 63 THR OG1 : rot 180:sc= -0.0135 USER MOD Set 1.2: A 64 SER OG : rot 180:sc= -0.509 USER MOD Set 2.1: A 4 THR OG1 : rot 153:sc= -0.759 USER MOD Set 2.2: A 7 GLN : amide:sc= -1.24 K(o=-2,f=-2.6) USER MOD Single : A 3 MET CE :methyl 175:sc= -0.765 (180deg=-0.813) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A 13 GLN : amide:sc= -4.86! C(o=-4.9!,f=-5.5!) USER MOD Single : A 14 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 18 GLN : amide:sc= 0.61 K(o=0.61,f=-2.2) USER MOD Single : A 20 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.3) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 0.494 (180deg=-0.126) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0839 F(o=-1.3,f=-0.084) USER MOD Single : A 42 LYS NZ :NH3+ -148:sc= -0.171 (180deg=-1.36) USER MOD Single : A 43 THR OG1 : rot 117:sc= 0.614 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= 1.17 (180deg=0.826) USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.15) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.81 K(o=1.8,f=-3!) USER MOD Single : A 71 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 80 MET CE :methyl 169:sc= -0.868 (180deg=-1.21) USER MOD Single : A 81 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.13) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 170:sc= -0.0206 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.79 (180deg=1.39) USER MOD Single : A 93 MET CE :methyl -153:sc= -3.71 (180deg=-5.33!) USER MOD Single : A 94 MET CE :methyl 161:sc= -0.115 (180deg=-0.671) USER MOD Single : A 98 GLN : amide:sc= -2.44! X(o=-2.4!,f=-2.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 3 12.968 7.194 -2.985 1.00 0.00 N ATOM 2 CA MET A 3 13.081 5.862 -3.585 1.00 0.00 C ATOM 3 C MET A 3 12.896 6.015 -5.065 1.00 0.00 C ATOM 4 O MET A 3 13.006 7.131 -5.591 1.00 0.00 O ATOM 5 CB MET A 3 11.994 4.922 -3.025 1.00 0.00 C ATOM 6 CG MET A 3 12.103 4.677 -1.542 1.00 0.00 C ATOM 7 SD MET A 3 10.774 3.650 -0.874 1.00 0.00 S ATOM 8 CE MET A 3 11.043 2.109 -1.754 1.00 0.00 C ATOM 0 HA MET A 3 14.055 5.430 -3.354 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.014 5.346 -3.242 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.050 3.966 -3.546 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.060 4.199 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.104 5.636 -1.024 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.354 1.352 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.870 2.263 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.069 1.775 -1.597 1.00 0.00 H new ATOM 18 N THR A 4 12.650 4.943 -5.750 1.00 0.00 N ATOM 19 CA THR A 4 12.365 5.023 -7.156 1.00 0.00 C ATOM 20 C THR A 4 10.895 4.762 -7.409 1.00 0.00 C ATOM 21 O THR A 4 10.347 3.771 -6.928 1.00 0.00 O ATOM 22 CB THR A 4 13.242 4.075 -7.995 1.00 0.00 C ATOM 23 OG1 THR A 4 13.314 2.783 -7.379 1.00 0.00 O ATOM 24 CG2 THR A 4 14.639 4.640 -8.192 1.00 0.00 C ATOM 0 H THR A 4 12.640 4.000 -5.362 1.00 0.00 H new ATOM 0 HA THR A 4 12.609 6.036 -7.476 1.00 0.00 H new ATOM 0 HB THR A 4 12.778 3.975 -8.976 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.479 2.102 -8.065 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.231 3.946 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.575 5.598 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.114 4.782 -7.221 1.00 0.00 H new ATOM 32 N SER A 5 10.275 5.639 -8.165 1.00 0.00 N ATOM 33 CA SER A 5 8.854 5.583 -8.460 1.00 0.00 C ATOM 34 C SER A 5 8.409 4.210 -9.053 1.00 0.00 C ATOM 35 O SER A 5 7.512 3.574 -8.486 1.00 0.00 O ATOM 36 CB SER A 5 8.457 6.755 -9.380 1.00 0.00 C ATOM 37 OG SER A 5 8.983 7.986 -8.883 1.00 0.00 O ATOM 0 H SER A 5 10.750 6.428 -8.603 1.00 0.00 H new ATOM 0 HA SER A 5 8.321 5.682 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.830 6.575 -10.388 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.371 6.819 -9.448 1.00 0.00 H new ATOM 0 HG SER A 5 8.722 8.718 -9.480 1.00 0.00 H new ATOM 43 N PRO A 6 9.055 3.687 -10.161 1.00 0.00 N ATOM 44 CA PRO A 6 8.630 2.429 -10.763 1.00 0.00 C ATOM 45 C PRO A 6 8.810 1.247 -9.822 1.00 0.00 C ATOM 46 O PRO A 6 7.959 0.398 -9.751 1.00 0.00 O ATOM 47 CB PRO A 6 9.527 2.275 -12.003 1.00 0.00 C ATOM 48 CG PRO A 6 10.072 3.633 -12.250 1.00 0.00 C ATOM 49 CD PRO A 6 10.206 4.257 -10.901 1.00 0.00 C ATOM 0 HA PRO A 6 7.567 2.444 -11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.326 1.555 -11.826 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.958 1.916 -12.860 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.035 3.583 -12.758 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.405 4.214 -12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.156 4.003 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.156 5.345 -10.951 1.00 0.00 H new ATOM 57 N GLN A 7 9.899 1.228 -9.066 1.00 0.00 N ATOM 58 CA GLN A 7 10.177 0.099 -8.175 1.00 0.00 C ATOM 59 C GLN A 7 9.288 0.148 -6.951 1.00 0.00 C ATOM 60 O GLN A 7 8.828 -0.890 -6.479 1.00 0.00 O ATOM 61 CB GLN A 7 11.644 0.032 -7.741 1.00 0.00 C ATOM 62 CG GLN A 7 12.656 -0.410 -8.803 1.00 0.00 C ATOM 63 CD GLN A 7 12.666 0.448 -10.045 1.00 0.00 C ATOM 64 OE1 GLN A 7 13.336 1.467 -10.098 1.00 0.00 O ATOM 65 NE2 GLN A 7 11.988 0.010 -11.078 1.00 0.00 N ATOM 0 H GLN A 7 10.599 1.969 -9.048 1.00 0.00 H new ATOM 0 HA GLN A 7 9.962 -0.802 -8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 7 11.938 1.018 -7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.718 -0.652 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.653 -0.404 -8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.440 -1.440 -9.088 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.438 -0.845 -11.001 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.011 0.524 -11.958 1.00 0.00 H new ATOM 74 N LEU A 8 9.059 1.351 -6.432 1.00 0.00 N ATOM 75 CA LEU A 8 8.158 1.557 -5.303 1.00 0.00 C ATOM 76 C LEU A 8 6.795 1.022 -5.655 1.00 0.00 C ATOM 77 O LEU A 8 6.281 0.099 -5.005 1.00 0.00 O ATOM 78 CB LEU A 8 7.994 3.043 -5.013 1.00 0.00 C ATOM 79 CG LEU A 8 6.936 3.389 -3.971 1.00 0.00 C ATOM 80 CD1 LEU A 8 7.488 3.404 -2.559 1.00 0.00 C ATOM 81 CD2 LEU A 8 6.207 4.657 -4.341 1.00 0.00 C ATOM 0 H LEU A 8 9.491 2.207 -6.781 1.00 0.00 H new ATOM 0 HA LEU A 8 8.578 1.048 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.953 3.440 -4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.745 3.553 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 8 6.197 2.588 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.691 3.656 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.888 2.420 -2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.283 4.147 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.458 4.881 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.918 5.481 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.717 4.527 -5.306 1.00 0.00 H new ATOM 93 N GLU A 9 6.246 1.576 -6.731 1.00 0.00 N ATOM 94 CA GLU A 9 4.931 1.246 -7.185 1.00 0.00 C ATOM 95 C GLU A 9 4.868 -0.244 -7.545 1.00 0.00 C ATOM 96 O GLU A 9 3.881 -0.913 -7.261 1.00 0.00 O ATOM 97 CB GLU A 9 4.543 2.135 -8.368 1.00 0.00 C ATOM 98 CG GLU A 9 3.097 1.996 -8.822 1.00 0.00 C ATOM 99 CD GLU A 9 2.781 2.880 -9.999 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.373 4.035 -9.809 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.936 2.429 -11.156 1.00 0.00 O ATOM 0 H GLU A 9 6.719 2.272 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 9 4.210 1.430 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.726 3.175 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.197 1.903 -9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.900 0.957 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.433 2.245 -7.994 1.00 0.00 H new ATOM 108 N TRP A 10 5.965 -0.758 -8.125 1.00 0.00 N ATOM 109 CA TRP A 10 6.098 -2.176 -8.448 1.00 0.00 C ATOM 110 C TRP A 10 6.008 -3.027 -7.200 1.00 0.00 C ATOM 111 O TRP A 10 5.276 -4.003 -7.169 1.00 0.00 O ATOM 112 CB TRP A 10 7.436 -2.483 -9.169 1.00 0.00 C ATOM 113 CG TRP A 10 7.692 -3.955 -9.366 1.00 0.00 C ATOM 114 CD1 TRP A 10 7.212 -4.724 -10.360 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.486 -4.820 -8.532 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.619 -6.028 -10.198 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.413 -6.108 -9.082 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.240 -4.624 -7.371 1.00 0.00 C ATOM 119 CZ2 TRP A 10 9.068 -7.200 -8.510 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.887 -5.700 -6.806 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.799 -6.974 -7.371 1.00 0.00 C ATOM 0 H TRP A 10 6.779 -0.199 -8.380 1.00 0.00 H new ATOM 0 HA TRP A 10 5.275 -2.419 -9.119 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.437 -1.989 -10.141 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.256 -2.054 -8.593 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.594 -4.368 -11.171 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.371 -6.807 -10.807 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.314 -3.644 -6.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.002 -8.185 -8.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.473 -5.556 -5.910 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.317 -7.798 -6.902 1.00 0.00 H new ATOM 132 N THR A 11 6.742 -2.670 -6.178 1.00 0.00 N ATOM 133 CA THR A 11 6.750 -3.471 -4.986 1.00 0.00 C ATOM 134 C THR A 11 5.375 -3.445 -4.344 1.00 0.00 C ATOM 135 O THR A 11 4.850 -4.486 -3.930 1.00 0.00 O ATOM 136 CB THR A 11 7.806 -3.007 -3.978 1.00 0.00 C ATOM 137 OG1 THR A 11 9.078 -2.845 -4.643 1.00 0.00 O ATOM 138 CG2 THR A 11 7.956 -4.060 -2.896 1.00 0.00 C ATOM 0 H THR A 11 7.334 -1.840 -6.148 1.00 0.00 H new ATOM 0 HA THR A 11 7.008 -4.489 -5.277 1.00 0.00 H new ATOM 0 HB THR A 11 7.495 -2.057 -3.543 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.102 -1.977 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.706 -3.736 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.001 -4.199 -2.389 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.268 -5.002 -3.346 1.00 0.00 H new ATOM 146 N LEU A 12 4.787 -2.261 -4.323 1.00 0.00 N ATOM 147 CA LEU A 12 3.469 -2.068 -3.794 1.00 0.00 C ATOM 148 C LEU A 12 2.458 -2.961 -4.545 1.00 0.00 C ATOM 149 O LEU A 12 1.768 -3.788 -3.936 1.00 0.00 O ATOM 150 CB LEU A 12 3.054 -0.606 -3.946 1.00 0.00 C ATOM 151 CG LEU A 12 3.724 0.395 -3.016 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.422 1.814 -3.447 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.241 0.186 -1.600 1.00 0.00 C ATOM 0 H LEU A 12 5.222 -1.409 -4.677 1.00 0.00 H new ATOM 0 HA LEU A 12 3.477 -2.338 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.252 -0.301 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.976 -0.541 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 12 4.801 0.236 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.911 2.512 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.792 1.973 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.345 1.980 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.725 0.906 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.161 0.326 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.488 -0.825 -1.277 1.00 0.00 H new ATOM 165 N GLN A 13 2.421 -2.811 -5.888 1.00 0.00 N ATOM 166 CA GLN A 13 1.485 -3.556 -6.737 1.00 0.00 C ATOM 167 C GLN A 13 1.677 -5.049 -6.590 1.00 0.00 C ATOM 168 O GLN A 13 0.732 -5.754 -6.387 1.00 0.00 O ATOM 169 CB GLN A 13 1.571 -3.158 -8.241 1.00 0.00 C ATOM 170 CG GLN A 13 2.888 -3.467 -8.908 1.00 0.00 C ATOM 171 CD GLN A 13 2.887 -3.303 -10.411 1.00 0.00 C ATOM 172 OE1 GLN A 13 3.894 -2.915 -10.999 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.834 -3.716 -11.060 1.00 0.00 N ATOM 0 H GLN A 13 3.033 -2.177 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 13 0.490 -3.284 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.777 -3.672 -8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.378 -2.089 -8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.655 -2.818 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.170 -4.492 -8.668 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.011 -4.033 -10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.833 -3.722 -12.080 1.00 0.00 H new ATOM 182 N THR A 14 2.921 -5.494 -6.609 1.00 0.00 N ATOM 183 CA THR A 14 3.254 -6.899 -6.565 1.00 0.00 C ATOM 184 C THR A 14 2.698 -7.590 -5.314 1.00 0.00 C ATOM 185 O THR A 14 2.291 -8.744 -5.381 1.00 0.00 O ATOM 186 CB THR A 14 4.778 -7.083 -6.712 1.00 0.00 C ATOM 187 OG1 THR A 14 5.173 -6.502 -7.962 1.00 0.00 O ATOM 188 CG2 THR A 14 5.189 -8.544 -6.716 1.00 0.00 C ATOM 0 H THR A 14 3.734 -4.880 -6.656 1.00 0.00 H new ATOM 0 HA THR A 14 2.771 -7.391 -7.409 1.00 0.00 H new ATOM 0 HB THR A 14 5.261 -6.604 -5.860 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.372 -5.551 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.271 -8.617 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.884 -9.010 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.708 -9.055 -7.550 1.00 0.00 H new ATOM 196 N LEU A 15 2.623 -6.865 -4.210 1.00 0.00 N ATOM 197 CA LEU A 15 2.063 -7.396 -2.970 1.00 0.00 C ATOM 198 C LEU A 15 0.543 -7.350 -3.029 1.00 0.00 C ATOM 199 O LEU A 15 -0.143 -8.300 -2.651 1.00 0.00 O ATOM 200 CB LEU A 15 2.540 -6.559 -1.798 1.00 0.00 C ATOM 201 CG LEU A 15 4.045 -6.504 -1.594 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.384 -5.418 -0.617 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.558 -7.826 -1.068 1.00 0.00 C ATOM 0 H LEU A 15 2.945 -5.899 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 15 2.391 -8.428 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.173 -5.541 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.083 -6.948 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 15 4.517 -6.297 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.464 -5.382 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.037 -4.460 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.898 -5.622 0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.637 -7.768 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.080 -8.048 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.327 -8.616 -1.782 1.00 0.00 H new ATOM 215 N LEU A 16 0.027 -6.259 -3.546 1.00 0.00 N ATOM 216 CA LEU A 16 -1.407 -6.049 -3.647 1.00 0.00 C ATOM 217 C LEU A 16 -2.035 -6.936 -4.741 1.00 0.00 C ATOM 218 O LEU A 16 -3.227 -7.133 -4.788 1.00 0.00 O ATOM 219 CB LEU A 16 -1.711 -4.565 -3.876 1.00 0.00 C ATOM 220 CG LEU A 16 -1.277 -3.603 -2.758 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.527 -2.172 -3.167 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.029 -3.899 -1.478 1.00 0.00 C ATOM 0 H LEU A 16 0.587 -5.488 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.863 -6.347 -2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.227 -4.255 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.785 -4.454 -4.025 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.210 -3.746 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.214 -1.504 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.958 -1.947 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.590 -2.030 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.708 -3.208 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.099 -3.781 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.823 -4.922 -1.163 1.00 0.00 H new ATOM 234 N GLU A 17 -1.209 -7.454 -5.619 1.00 0.00 N ATOM 235 CA GLU A 17 -1.648 -8.409 -6.626 1.00 0.00 C ATOM 236 C GLU A 17 -1.631 -9.832 -6.047 1.00 0.00 C ATOM 237 O GLU A 17 -1.911 -10.809 -6.738 1.00 0.00 O ATOM 238 CB GLU A 17 -0.773 -8.320 -7.884 1.00 0.00 C ATOM 239 CG GLU A 17 -0.888 -6.986 -8.631 1.00 0.00 C ATOM 240 CD GLU A 17 -0.012 -6.935 -9.858 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.452 -7.400 -10.943 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.120 -6.430 -9.778 1.00 0.00 O ATOM 0 H GLU A 17 -0.215 -7.230 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.670 -8.163 -6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.268 -8.478 -7.602 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.046 -9.129 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.926 -6.824 -8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.615 -6.172 -7.959 1.00 0.00 H new ATOM 249 N GLN A 18 -1.259 -9.936 -4.781 1.00 0.00 N ATOM 250 CA GLN A 18 -1.282 -11.201 -4.056 1.00 0.00 C ATOM 251 C GLN A 18 -2.443 -11.145 -3.081 1.00 0.00 C ATOM 252 O GLN A 18 -3.308 -12.028 -3.050 1.00 0.00 O ATOM 253 CB GLN A 18 0.019 -11.402 -3.277 1.00 0.00 C ATOM 254 CG GLN A 18 1.261 -11.292 -4.124 1.00 0.00 C ATOM 255 CD GLN A 18 2.537 -11.423 -3.330 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.607 -12.137 -2.344 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.541 -10.706 -3.735 1.00 0.00 N ATOM 0 H GLN A 18 -0.932 -9.146 -4.225 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.390 -12.029 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.070 -10.663 -2.477 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.000 -12.384 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.238 -12.065 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.258 -10.331 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.447 -10.120 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.423 -10.729 -3.224 1.00 0.00 H new ATOM 266 N LEU A 19 -2.473 -10.078 -2.305 1.00 0.00 N ATOM 267 CA LEU A 19 -3.537 -9.849 -1.366 1.00 0.00 C ATOM 268 C LEU A 19 -4.579 -8.971 -2.073 1.00 0.00 C ATOM 269 O LEU A 19 -4.302 -7.845 -2.421 1.00 0.00 O ATOM 270 CB LEU A 19 -2.975 -9.152 -0.085 1.00 0.00 C ATOM 271 CG LEU A 19 -2.691 -7.641 -0.174 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.842 -6.829 0.379 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.377 -7.238 0.418 1.00 0.00 C ATOM 0 H LEU A 19 -1.758 -9.351 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.996 -10.784 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.683 -9.315 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.049 -9.654 0.194 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.604 -7.414 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.609 -5.767 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.746 -7.045 -0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.001 -7.089 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.248 -6.160 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.355 -7.510 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.570 -7.750 -0.106 1.00 0.00 H new ATOM 285 N ASN A 20 -5.740 -9.492 -2.356 1.00 0.00 N ATOM 286 CA ASN A 20 -6.728 -8.681 -3.078 1.00 0.00 C ATOM 287 C ASN A 20 -8.125 -9.238 -3.041 1.00 0.00 C ATOM 288 O ASN A 20 -9.055 -8.479 -2.837 1.00 0.00 O ATOM 289 CB ASN A 20 -6.289 -8.371 -4.531 1.00 0.00 C ATOM 290 CG ASN A 20 -6.041 -9.608 -5.345 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.904 -10.070 -6.090 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.905 -10.196 -5.136 1.00 0.00 N ATOM 0 H ASN A 20 -6.036 -10.438 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.764 -7.740 -2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.058 -7.771 -5.017 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.381 -7.768 -4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.696 -11.081 -5.599 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.220 -9.774 -4.509 1.00 0.00 H new ATOM 299 N GLU A 21 -8.260 -10.559 -3.177 1.00 0.00 N ATOM 300 CA GLU A 21 -9.563 -11.243 -3.245 1.00 0.00 C ATOM 301 C GLU A 21 -10.497 -10.802 -2.107 1.00 0.00 C ATOM 302 O GLU A 21 -11.484 -10.104 -2.346 1.00 0.00 O ATOM 303 CB GLU A 21 -9.336 -12.755 -3.259 1.00 0.00 C ATOM 304 CG GLU A 21 -10.583 -13.600 -3.395 1.00 0.00 C ATOM 305 CD GLU A 21 -10.246 -15.058 -3.563 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.710 -15.430 -4.645 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.487 -15.856 -2.625 1.00 0.00 O ATOM 0 H GLU A 21 -7.464 -11.194 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.068 -10.961 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.663 -12.996 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.826 -13.037 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.210 -13.470 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.163 -13.259 -4.252 1.00 0.00 H new ATOM 314 N ASP A 22 -10.185 -11.185 -0.895 1.00 0.00 N ATOM 315 CA ASP A 22 -10.933 -10.692 0.263 1.00 0.00 C ATOM 316 C ASP A 22 -10.008 -9.969 1.191 1.00 0.00 C ATOM 317 O ASP A 22 -10.397 -9.464 2.238 1.00 0.00 O ATOM 318 CB ASP A 22 -11.668 -11.807 1.007 1.00 0.00 C ATOM 319 CG ASP A 22 -12.898 -12.280 0.287 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.965 -11.677 0.466 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.834 -13.248 -0.481 1.00 0.00 O ATOM 0 H ASP A 22 -9.427 -11.830 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.695 -10.007 -0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.991 -12.649 1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.948 -11.452 1.999 1.00 0.00 H new ATOM 326 N GLU A 23 -8.795 -9.866 0.742 1.00 0.00 N ATOM 327 CA GLU A 23 -7.692 -9.333 1.521 1.00 0.00 C ATOM 328 C GLU A 23 -7.652 -7.829 1.440 1.00 0.00 C ATOM 329 O GLU A 23 -7.329 -7.148 2.411 1.00 0.00 O ATOM 330 CB GLU A 23 -6.412 -9.859 0.930 1.00 0.00 C ATOM 331 CG GLU A 23 -6.452 -11.328 0.630 1.00 0.00 C ATOM 332 CD GLU A 23 -6.541 -12.177 1.861 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.522 -12.405 2.509 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.644 -12.637 2.194 1.00 0.00 O ATOM 0 H GLU A 23 -8.526 -10.154 -0.199 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.816 -9.631 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.194 -9.314 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.593 -9.659 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.307 -11.538 -0.012 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.558 -11.603 0.070 1.00 0.00 H new ATOM 341 N LEU A 24 -8.007 -7.304 0.281 1.00 0.00 N ATOM 342 CA LEU A 24 -7.894 -5.880 0.041 1.00 0.00 C ATOM 343 C LEU A 24 -8.921 -5.145 0.862 1.00 0.00 C ATOM 344 O LEU A 24 -8.697 -4.037 1.295 1.00 0.00 O ATOM 345 CB LEU A 24 -8.095 -5.570 -1.425 1.00 0.00 C ATOM 346 CG LEU A 24 -7.295 -4.401 -1.968 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.804 -4.686 -1.885 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.681 -4.126 -3.387 1.00 0.00 C ATOM 0 H LEU A 24 -8.374 -7.841 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.895 -5.555 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.842 -6.459 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.153 -5.371 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.516 -3.523 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.248 -3.835 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.523 -4.852 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.570 -5.575 -2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.100 -3.285 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.482 -5.008 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.743 -3.884 -3.435 1.00 0.00 H new ATOM 360 N LYS A 25 -10.021 -5.822 1.097 1.00 0.00 N ATOM 361 CA LYS A 25 -11.133 -5.324 1.890 1.00 0.00 C ATOM 362 C LYS A 25 -10.644 -4.975 3.292 1.00 0.00 C ATOM 363 O LYS A 25 -10.942 -3.897 3.822 1.00 0.00 O ATOM 364 CB LYS A 25 -12.194 -6.418 1.933 1.00 0.00 C ATOM 365 CG LYS A 25 -12.642 -6.824 0.541 1.00 0.00 C ATOM 366 CD LYS A 25 -13.451 -8.092 0.535 1.00 0.00 C ATOM 367 CE LYS A 25 -13.909 -8.424 -0.883 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.798 -9.594 -0.930 1.00 0.00 N ATOM 0 H LYS A 25 -10.176 -6.762 0.733 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.557 -4.420 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.797 -7.289 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.054 -6.068 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.234 -6.019 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.766 -6.955 -0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.855 -8.913 0.933 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.317 -7.981 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.426 -7.562 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.036 -8.610 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.066 -9.787 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.305 -10.421 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.653 -9.403 -0.370 1.00 0.00 H new ATOM 382 N SER A 26 -9.867 -5.879 3.854 1.00 0.00 N ATOM 383 CA SER A 26 -9.238 -5.724 5.110 1.00 0.00 C ATOM 384 C SER A 26 -8.246 -4.567 5.069 1.00 0.00 C ATOM 385 O SER A 26 -8.338 -3.627 5.849 1.00 0.00 O ATOM 386 CB SER A 26 -8.492 -6.997 5.343 1.00 0.00 C ATOM 387 OG SER A 26 -9.361 -8.104 5.239 1.00 0.00 O ATOM 0 H SER A 26 -9.660 -6.775 3.412 1.00 0.00 H new ATOM 0 HA SER A 26 -9.966 -5.514 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.685 -7.091 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.031 -6.980 6.331 1.00 0.00 H new ATOM 0 HG SER A 26 -8.858 -8.931 5.392 1.00 0.00 H new ATOM 393 N PHE A 27 -7.328 -4.655 4.119 1.00 0.00 N ATOM 394 CA PHE A 27 -6.254 -3.690 3.914 1.00 0.00 C ATOM 395 C PHE A 27 -6.805 -2.249 3.824 1.00 0.00 C ATOM 396 O PHE A 27 -6.316 -1.344 4.510 1.00 0.00 O ATOM 397 CB PHE A 27 -5.500 -4.091 2.634 1.00 0.00 C ATOM 398 CG PHE A 27 -4.288 -3.254 2.274 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.417 -2.033 1.625 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.013 -3.703 2.581 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.303 -1.279 1.301 1.00 0.00 C ATOM 402 CE2 PHE A 27 -1.897 -2.955 2.258 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.042 -1.741 1.618 1.00 0.00 C ATOM 0 H PHE A 27 -7.307 -5.423 3.448 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.571 -3.701 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.180 -5.128 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.200 -4.054 1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.400 -1.667 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.890 -4.653 3.081 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.420 -0.329 0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.911 -3.320 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.171 -1.154 1.366 1.00 0.00 H new ATOM 413 N LYS A 28 -7.847 -2.060 3.011 1.00 0.00 N ATOM 414 CA LYS A 28 -8.482 -0.749 2.842 1.00 0.00 C ATOM 415 C LYS A 28 -9.056 -0.250 4.170 1.00 0.00 C ATOM 416 O LYS A 28 -8.909 0.914 4.521 1.00 0.00 O ATOM 417 CB LYS A 28 -9.609 -0.802 1.785 1.00 0.00 C ATOM 418 CG LYS A 28 -9.164 -1.178 0.375 1.00 0.00 C ATOM 419 CD LYS A 28 -10.358 -1.282 -0.578 1.00 0.00 C ATOM 420 CE LYS A 28 -9.930 -1.829 -1.934 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.060 -1.967 -2.886 1.00 0.00 N ATOM 0 H LYS A 28 -8.272 -2.803 2.456 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.712 -0.058 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.360 -1.520 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.095 0.173 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.463 -0.432 0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.633 -2.130 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.119 -1.931 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.812 -0.299 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.178 -1.169 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.458 -2.802 -1.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.885 -2.775 -3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.942 -2.125 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.146 -1.098 -3.451 1.00 0.00 H new ATOM 435 N SER A 29 -9.655 -1.154 4.923 1.00 0.00 N ATOM 436 CA SER A 29 -10.294 -0.800 6.171 1.00 0.00 C ATOM 437 C SER A 29 -9.238 -0.465 7.230 1.00 0.00 C ATOM 438 O SER A 29 -9.392 0.463 8.008 1.00 0.00 O ATOM 439 CB SER A 29 -11.163 -1.958 6.659 1.00 0.00 C ATOM 440 OG SER A 29 -12.160 -1.500 7.558 1.00 0.00 O ATOM 0 H SER A 29 -9.711 -2.145 4.687 1.00 0.00 H new ATOM 0 HA SER A 29 -10.922 0.076 6.006 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.634 -2.449 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.539 -2.704 7.151 1.00 0.00 H new ATOM 0 HG SER A 29 -12.705 -2.258 7.856 1.00 0.00 H new ATOM 446 N LEU A 30 -8.159 -1.208 7.226 1.00 0.00 N ATOM 447 CA LEU A 30 -7.082 -1.040 8.193 1.00 0.00 C ATOM 448 C LEU A 30 -6.346 0.263 8.002 1.00 0.00 C ATOM 449 O LEU A 30 -5.897 0.883 8.975 1.00 0.00 O ATOM 450 CB LEU A 30 -6.134 -2.214 8.105 1.00 0.00 C ATOM 451 CG LEU A 30 -6.730 -3.549 8.530 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.834 -4.668 8.108 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.958 -3.587 10.035 1.00 0.00 C ATOM 0 H LEU A 30 -7.994 -1.954 6.550 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.523 -1.007 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.780 -2.301 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.263 -2.007 8.726 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.696 -3.667 8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.269 -5.619 8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.722 -4.655 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.857 -4.548 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.384 -4.551 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.008 -3.447 10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.645 -2.790 10.319 1.00 0.00 H new ATOM 465 N LEU A 31 -6.250 0.710 6.769 1.00 0.00 N ATOM 466 CA LEU A 31 -5.584 1.964 6.496 1.00 0.00 C ATOM 467 C LEU A 31 -6.549 3.108 6.804 1.00 0.00 C ATOM 468 O LEU A 31 -6.163 4.257 6.957 1.00 0.00 O ATOM 469 CB LEU A 31 -5.029 1.990 5.036 1.00 0.00 C ATOM 470 CG LEU A 31 -5.974 2.336 3.869 1.00 0.00 C ATOM 471 CD1 LEU A 31 -6.045 3.837 3.672 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.513 1.655 2.588 1.00 0.00 C ATOM 0 H LEU A 31 -6.620 0.230 5.948 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.713 2.085 7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.206 2.705 5.012 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.604 1.008 4.831 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.971 1.971 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.717 4.064 2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.419 4.306 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.050 4.222 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.192 1.911 1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.506 1.991 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.510 0.574 2.731 1.00 0.00 H new ATOM 484 N TRP A 32 -7.799 2.765 6.938 1.00 0.00 N ATOM 485 CA TRP A 32 -8.806 3.720 7.261 1.00 0.00 C ATOM 486 C TRP A 32 -8.973 3.770 8.774 1.00 0.00 C ATOM 487 O TRP A 32 -9.606 4.673 9.318 1.00 0.00 O ATOM 488 CB TRP A 32 -10.112 3.300 6.625 1.00 0.00 C ATOM 489 CG TRP A 32 -10.835 4.428 6.013 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.982 5.016 6.438 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.429 5.119 4.850 1.00 0.00 C ATOM 492 NE1 TRP A 32 -12.326 6.024 5.578 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.385 6.106 4.591 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.341 4.980 3.992 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -11.294 6.963 3.503 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.244 5.827 2.909 1.00 0.00 C ATOM 497 CH2 TRP A 32 -10.220 6.807 2.673 1.00 0.00 C ATOM 0 H TRP A 32 -8.143 1.812 6.825 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.519 4.704 6.889 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.915 2.545 5.864 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.746 2.834 7.380 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.538 4.732 7.319 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.151 6.618 5.661 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.590 4.225 4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.041 7.721 3.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.406 5.735 2.234 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.120 7.454 1.814 1.00 0.00 H new ATOM 508 N ALA A 33 -8.386 2.798 9.446 1.00 0.00 N ATOM 509 CA ALA A 33 -8.506 2.658 10.876 1.00 0.00 C ATOM 510 C ALA A 33 -7.525 3.533 11.620 1.00 0.00 C ATOM 511 O ALA A 33 -7.789 3.934 12.759 1.00 0.00 O ATOM 512 CB ALA A 33 -8.314 1.208 11.286 1.00 0.00 C ATOM 0 H ALA A 33 -7.809 2.080 9.007 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.511 2.983 11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.408 1.120 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.072 0.590 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.324 0.871 10.979 1.00 0.00 H new ATOM 518 N PHE A 34 -6.402 3.829 11.003 1.00 0.00 N ATOM 519 CA PHE A 34 -5.396 4.607 11.661 1.00 0.00 C ATOM 520 C PHE A 34 -5.667 6.100 11.438 1.00 0.00 C ATOM 521 O PHE A 34 -6.295 6.471 10.436 1.00 0.00 O ATOM 522 CB PHE A 34 -3.968 4.202 11.180 1.00 0.00 C ATOM 523 CG PHE A 34 -3.542 4.679 9.807 1.00 0.00 C ATOM 524 CD1 PHE A 34 -3.116 5.977 9.621 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.548 3.830 8.725 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.723 6.429 8.390 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.147 4.279 7.479 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.741 5.583 7.318 1.00 0.00 C ATOM 0 H PHE A 34 -6.171 3.541 10.052 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.438 4.407 12.732 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.247 4.576 11.907 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.901 3.114 11.196 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.092 6.651 10.464 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.868 2.806 8.849 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.400 7.452 8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.153 3.606 6.634 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.437 5.938 6.344 1.00 0.00 H new ATOM 538 N PRO A 35 -5.247 6.965 12.371 1.00 0.00 N ATOM 539 CA PRO A 35 -5.359 8.409 12.202 1.00 0.00 C ATOM 540 C PRO A 35 -4.440 8.880 11.070 1.00 0.00 C ATOM 541 O PRO A 35 -3.205 8.719 11.135 1.00 0.00 O ATOM 542 CB PRO A 35 -4.901 8.979 13.550 1.00 0.00 C ATOM 543 CG PRO A 35 -4.082 7.898 14.165 1.00 0.00 C ATOM 544 CD PRO A 35 -4.649 6.605 13.663 1.00 0.00 C ATOM 0 HA PRO A 35 -6.366 8.730 11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.317 9.889 13.416 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.753 9.236 14.180 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.033 7.998 13.885 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.128 7.946 15.253 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.875 5.846 13.548 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.393 6.201 14.350 1.00 0.00 H new ATOM 552 N LEU A 36 -5.038 9.432 10.038 1.00 0.00 N ATOM 553 CA LEU A 36 -4.316 9.823 8.844 1.00 0.00 C ATOM 554 C LEU A 36 -3.394 10.992 9.108 1.00 0.00 C ATOM 555 O LEU A 36 -3.607 11.786 10.042 1.00 0.00 O ATOM 556 CB LEU A 36 -5.262 10.200 7.716 1.00 0.00 C ATOM 557 CG LEU A 36 -6.333 9.172 7.312 1.00 0.00 C ATOM 558 CD1 LEU A 36 -7.129 9.687 6.130 1.00 0.00 C ATOM 559 CD2 LEU A 36 -5.710 7.829 6.968 1.00 0.00 C ATOM 0 H LEU A 36 -6.039 9.623 10.001 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.726 8.956 8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.770 11.122 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.661 10.424 6.834 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.998 9.029 8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.884 8.952 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.616 10.624 6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.460 9.856 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.494 7.126 6.687 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.017 7.952 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.172 7.445 7.834 1.00 0.00 H new ATOM 571 N GLU A 37 -2.394 11.103 8.282 1.00 0.00 N ATOM 572 CA GLU A 37 -1.412 12.143 8.387 1.00 0.00 C ATOM 573 C GLU A 37 -1.503 13.084 7.195 1.00 0.00 C ATOM 574 O GLU A 37 -2.441 12.997 6.406 1.00 0.00 O ATOM 575 CB GLU A 37 -0.023 11.536 8.486 1.00 0.00 C ATOM 576 CG GLU A 37 0.171 10.673 9.710 1.00 0.00 C ATOM 577 CD GLU A 37 1.592 10.185 9.833 1.00 0.00 C ATOM 578 OE1 GLU A 37 2.458 10.964 10.303 1.00 0.00 O ATOM 579 OE2 GLU A 37 1.887 9.048 9.451 1.00 0.00 O ATOM 0 H GLU A 37 -2.236 10.463 7.504 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.606 12.721 9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.168 10.938 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.715 12.338 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.096 11.241 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.504 9.818 9.662 1.00 0.00 H new ATOM 586 N ASP A 38 -0.527 13.968 7.081 1.00 0.00 N ATOM 587 CA ASP A 38 -0.446 14.995 6.030 1.00 0.00 C ATOM 588 C ASP A 38 -0.671 14.451 4.625 1.00 0.00 C ATOM 589 O ASP A 38 -0.261 13.327 4.288 1.00 0.00 O ATOM 590 CB ASP A 38 0.888 15.760 6.097 1.00 0.00 C ATOM 591 CG ASP A 38 2.108 14.876 5.916 1.00 0.00 C ATOM 592 OD1 ASP A 38 2.585 14.292 6.911 1.00 0.00 O ATOM 593 OD2 ASP A 38 2.633 14.770 4.798 1.00 0.00 O ATOM 0 H ASP A 38 0.259 14.001 7.731 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.266 15.684 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.893 16.532 5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.958 16.268 7.059 1.00 0.00 H new ATOM 598 N VAL A 39 -1.378 15.263 3.832 1.00 0.00 N ATOM 599 CA VAL A 39 -1.750 15.013 2.442 1.00 0.00 C ATOM 600 C VAL A 39 -2.856 13.921 2.299 1.00 0.00 C ATOM 601 O VAL A 39 -3.544 13.827 1.268 1.00 0.00 O ATOM 602 CB VAL A 39 -0.498 14.700 1.600 1.00 0.00 C ATOM 603 CG1 VAL A 39 -0.832 14.400 0.146 1.00 0.00 C ATOM 604 CG2 VAL A 39 0.504 15.844 1.674 1.00 0.00 C ATOM 0 H VAL A 39 -1.724 16.163 4.165 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.198 15.926 2.050 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.054 13.801 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.086 14.186 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.494 13.536 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.328 15.263 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.379 15.600 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.044 16.756 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.807 15.996 2.710 1.00 0.00 H new ATOM 614 N LEU A 40 -3.064 13.147 3.345 1.00 0.00 N ATOM 615 CA LEU A 40 -4.043 12.080 3.315 1.00 0.00 C ATOM 616 C LEU A 40 -5.450 12.578 3.576 1.00 0.00 C ATOM 617 O LEU A 40 -6.420 11.872 3.295 1.00 0.00 O ATOM 618 CB LEU A 40 -3.692 10.974 4.300 1.00 0.00 C ATOM 619 CG LEU A 40 -2.366 10.254 4.077 1.00 0.00 C ATOM 620 CD1 LEU A 40 -2.190 9.159 5.103 1.00 0.00 C ATOM 621 CD2 LEU A 40 -2.292 9.687 2.675 1.00 0.00 C ATOM 0 H LEU A 40 -2.565 13.238 4.230 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.016 11.673 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.683 11.402 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.490 10.232 4.277 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.557 10.975 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.240 8.652 4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.197 9.593 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.006 8.441 5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.338 9.178 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.106 8.978 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.378 10.496 1.950 1.00 0.00 H new ATOM 633 N GLN A 41 -5.584 13.780 4.101 1.00 0.00 N ATOM 634 CA GLN A 41 -6.905 14.320 4.353 1.00 0.00 C ATOM 635 C GLN A 41 -7.545 14.774 3.046 1.00 0.00 C ATOM 636 O GLN A 41 -7.467 15.949 2.670 1.00 0.00 O ATOM 637 CB GLN A 41 -6.938 15.461 5.401 1.00 0.00 C ATOM 638 CG GLN A 41 -6.606 15.071 6.845 1.00 0.00 C ATOM 639 CD GLN A 41 -5.164 14.665 7.091 1.00 0.00 C ATOM 640 OE1 GLN A 41 -4.235 15.261 6.382 1.00 0.00 O flip ATOM 641 NE2 GLN A 41 -4.888 13.837 7.961 1.00 0.00 N flip ATOM 0 H GLN A 41 -4.809 14.392 4.358 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.484 13.506 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.237 16.234 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.932 15.908 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.846 15.912 7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.254 14.246 7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.634 13.391 8.495 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.914 13.598 8.147 1.00 0.00 H new ATOM 650 N LYS A 42 -8.104 13.801 2.341 1.00 0.00 N ATOM 651 CA LYS A 42 -8.778 13.960 1.054 1.00 0.00 C ATOM 652 C LYS A 42 -9.101 12.584 0.474 1.00 0.00 C ATOM 653 O LYS A 42 -9.972 12.482 -0.381 1.00 0.00 O ATOM 654 CB LYS A 42 -7.905 14.674 -0.005 1.00 0.00 C ATOM 655 CG LYS A 42 -6.654 13.885 -0.397 1.00 0.00 C ATOM 656 CD LYS A 42 -6.122 14.232 -1.789 1.00 0.00 C ATOM 657 CE LYS A 42 -5.462 15.599 -1.899 1.00 0.00 C ATOM 658 NZ LYS A 42 -6.405 16.743 -1.804 1.00 0.00 N ATOM 0 H LYS A 42 -8.102 12.833 2.663 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.667 14.558 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.505 14.855 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.605 15.648 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.872 14.072 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.880 12.819 -0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.401 13.471 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.947 14.184 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.715 15.693 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.932 15.658 -2.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.056 17.530 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.343 16.449 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.478 17.052 -0.814 1.00 0.00 H new ATOM 672 N THR A 43 -8.370 11.547 0.969 1.00 0.00 N ATOM 673 CA THR A 43 -8.368 10.168 0.450 1.00 0.00 C ATOM 674 C THR A 43 -9.663 9.707 -0.222 1.00 0.00 C ATOM 675 O THR A 43 -10.632 9.352 0.456 1.00 0.00 O ATOM 676 CB THR A 43 -7.969 9.185 1.551 1.00 0.00 C ATOM 677 OG1 THR A 43 -8.588 9.579 2.798 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.463 9.114 1.704 1.00 0.00 C ATOM 0 H THR A 43 -7.747 11.662 1.768 1.00 0.00 H new ATOM 0 HA THR A 43 -7.627 10.178 -0.349 1.00 0.00 H new ATOM 0 HB THR A 43 -8.318 8.191 1.273 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.206 8.878 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.210 8.407 2.494 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.017 8.784 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.077 10.100 1.962 1.00 0.00 H new ATOM 686 N PRO A 44 -9.697 9.753 -1.577 1.00 0.00 N ATOM 687 CA PRO A 44 -10.861 9.331 -2.364 1.00 0.00 C ATOM 688 C PRO A 44 -11.159 7.823 -2.261 1.00 0.00 C ATOM 689 O PRO A 44 -10.671 7.021 -3.072 1.00 0.00 O ATOM 690 CB PRO A 44 -10.463 9.699 -3.804 1.00 0.00 C ATOM 691 CG PRO A 44 -8.973 9.688 -3.777 1.00 0.00 C ATOM 692 CD PRO A 44 -8.622 10.292 -2.466 1.00 0.00 C ATOM 0 HA PRO A 44 -11.773 9.811 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.855 8.980 -4.523 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.850 10.677 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.582 8.675 -3.865 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.556 10.263 -4.604 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.628 9.993 -2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.631 11.381 -2.503 1.00 0.00 H new ATOM 700 N TRP A 45 -11.932 7.442 -1.253 1.00 0.00 N ATOM 701 CA TRP A 45 -12.304 6.043 -1.035 1.00 0.00 C ATOM 702 C TRP A 45 -13.031 5.444 -2.244 1.00 0.00 C ATOM 703 O TRP A 45 -12.829 4.299 -2.538 1.00 0.00 O ATOM 704 CB TRP A 45 -13.145 5.857 0.258 1.00 0.00 C ATOM 705 CG TRP A 45 -13.605 4.422 0.514 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.703 3.816 -0.019 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.991 3.436 1.358 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.802 2.522 0.423 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.770 2.263 1.270 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.865 3.424 2.168 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.453 1.102 1.967 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.554 2.271 2.860 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.344 1.126 2.754 1.00 0.00 C ATOM 0 H TRP A 45 -12.319 8.087 -0.564 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.370 5.497 -0.906 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.556 6.194 1.111 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -14.022 6.502 0.202 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.399 4.289 -0.696 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.532 1.860 0.159 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.242 4.302 2.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.064 0.215 1.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.682 2.255 3.496 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.069 0.241 3.308 1.00 0.00 H new ATOM 724 N SER A 46 -13.839 6.211 -2.963 1.00 0.00 N ATOM 725 CA SER A 46 -14.537 5.643 -4.116 1.00 0.00 C ATOM 726 C SER A 46 -13.552 5.176 -5.191 1.00 0.00 C ATOM 727 O SER A 46 -13.791 4.182 -5.880 1.00 0.00 O ATOM 728 CB SER A 46 -15.567 6.611 -4.676 1.00 0.00 C ATOM 729 OG SER A 46 -16.543 6.910 -3.685 1.00 0.00 O ATOM 0 H SER A 46 -14.026 7.197 -2.780 1.00 0.00 H new ATOM 0 HA SER A 46 -15.079 4.762 -3.771 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.076 7.528 -5.003 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.048 6.176 -5.552 1.00 0.00 H new ATOM 0 HG SER A 46 -17.202 7.535 -4.053 1.00 0.00 H new ATOM 735 N GLU A 47 -12.415 5.841 -5.277 1.00 0.00 N ATOM 736 CA GLU A 47 -11.404 5.440 -6.218 1.00 0.00 C ATOM 737 C GLU A 47 -10.643 4.237 -5.684 1.00 0.00 C ATOM 738 O GLU A 47 -10.268 3.355 -6.438 1.00 0.00 O ATOM 739 CB GLU A 47 -10.465 6.595 -6.573 1.00 0.00 C ATOM 740 CG GLU A 47 -11.201 7.773 -7.190 1.00 0.00 C ATOM 741 CD GLU A 47 -10.285 8.804 -7.785 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.553 9.477 -7.045 1.00 0.00 O ATOM 743 OE2 GLU A 47 -10.277 8.962 -9.017 1.00 0.00 O ATOM 0 H GLU A 47 -12.176 6.654 -4.709 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.897 5.149 -7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.945 6.926 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.705 6.240 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.874 7.406 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.820 8.245 -6.427 1.00 0.00 H new ATOM 750 N VAL A 48 -10.474 4.175 -4.360 1.00 0.00 N ATOM 751 CA VAL A 48 -9.771 3.049 -3.732 1.00 0.00 C ATOM 752 C VAL A 48 -10.685 1.819 -3.743 1.00 0.00 C ATOM 753 O VAL A 48 -10.234 0.684 -3.725 1.00 0.00 O ATOM 754 CB VAL A 48 -9.318 3.363 -2.239 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.794 4.763 -2.075 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.367 3.028 -1.183 1.00 0.00 C ATOM 0 H VAL A 48 -10.810 4.883 -3.707 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.865 2.864 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.489 2.679 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.500 4.922 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.930 4.906 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.572 5.477 -2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.979 3.272 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.271 3.608 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.602 1.965 -1.228 1.00 0.00 H new ATOM 766 N GLU A 49 -11.971 2.085 -3.791 1.00 0.00 N ATOM 767 CA GLU A 49 -13.000 1.095 -3.744 1.00 0.00 C ATOM 768 C GLU A 49 -12.984 0.266 -5.003 1.00 0.00 C ATOM 769 O GLU A 49 -12.937 -0.957 -4.949 1.00 0.00 O ATOM 770 CB GLU A 49 -14.322 1.802 -3.588 1.00 0.00 C ATOM 771 CG GLU A 49 -15.322 1.021 -2.793 1.00 0.00 C ATOM 772 CD GLU A 49 -15.985 -0.097 -3.527 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.934 0.161 -4.279 1.00 0.00 O ATOM 774 OE2 GLU A 49 -15.611 -1.264 -3.309 1.00 0.00 O ATOM 0 H GLU A 49 -12.333 3.036 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.839 0.421 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.156 2.765 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.735 2.008 -4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.824 0.612 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.091 1.705 -2.434 1.00 0.00 H new ATOM 781 N GLU A 50 -12.933 0.940 -6.129 1.00 0.00 N ATOM 782 CA GLU A 50 -12.972 0.274 -7.418 1.00 0.00 C ATOM 783 C GLU A 50 -11.582 -0.172 -7.867 1.00 0.00 C ATOM 784 O GLU A 50 -11.391 -0.690 -8.978 1.00 0.00 O ATOM 785 CB GLU A 50 -13.590 1.185 -8.456 1.00 0.00 C ATOM 786 CG GLU A 50 -14.983 1.641 -8.096 1.00 0.00 C ATOM 787 CD GLU A 50 -15.621 2.466 -9.165 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.385 3.690 -9.226 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.394 1.914 -9.969 1.00 0.00 O ATOM 0 H GLU A 50 -12.864 1.956 -6.182 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.586 -0.620 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.952 2.059 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.621 0.665 -9.413 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.605 0.768 -7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.943 2.220 -7.173 1.00 0.00 H new ATOM 796 N ALA A 51 -10.629 0.030 -7.019 1.00 0.00 N ATOM 797 CA ALA A 51 -9.277 -0.328 -7.297 1.00 0.00 C ATOM 798 C ALA A 51 -8.898 -1.575 -6.575 1.00 0.00 C ATOM 799 O ALA A 51 -9.244 -1.768 -5.395 1.00 0.00 O ATOM 800 CB ALA A 51 -8.359 0.782 -6.896 1.00 0.00 C ATOM 0 H ALA A 51 -10.769 0.454 -6.102 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.187 -0.505 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.329 0.498 -7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.612 1.683 -7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.466 0.975 -5.828 1.00 0.00 H new ATOM 806 N ASP A 52 -8.202 -2.418 -7.269 1.00 0.00 N ATOM 807 CA ASP A 52 -7.691 -3.610 -6.694 1.00 0.00 C ATOM 808 C ASP A 52 -6.255 -3.756 -7.093 1.00 0.00 C ATOM 809 O ASP A 52 -5.857 -3.258 -8.163 1.00 0.00 O ATOM 810 CB ASP A 52 -8.488 -4.855 -7.102 1.00 0.00 C ATOM 811 CG ASP A 52 -8.225 -5.342 -8.510 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.804 -4.795 -9.468 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.464 -6.313 -8.681 1.00 0.00 O ATOM 0 H ASP A 52 -7.974 -2.293 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.782 -3.530 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.259 -5.661 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.551 -4.638 -7.000 1.00 0.00 H new ATOM 818 N GLY A 53 -5.473 -4.344 -6.201 1.00 0.00 N ATOM 819 CA GLY A 53 -4.079 -4.643 -6.450 1.00 0.00 C ATOM 820 C GLY A 53 -3.264 -3.463 -6.953 1.00 0.00 C ATOM 821 O GLY A 53 -3.018 -2.496 -6.218 1.00 0.00 O ATOM 0 H GLY A 53 -5.795 -4.628 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.629 -5.013 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.018 -5.449 -7.181 1.00 0.00 H new ATOM 825 N LYS A 54 -2.921 -3.523 -8.232 1.00 0.00 N ATOM 826 CA LYS A 54 -2.091 -2.540 -8.904 1.00 0.00 C ATOM 827 C LYS A 54 -2.712 -1.162 -8.845 1.00 0.00 C ATOM 828 O LYS A 54 -2.017 -0.160 -8.668 1.00 0.00 O ATOM 829 CB LYS A 54 -1.926 -2.921 -10.360 1.00 0.00 C ATOM 830 CG LYS A 54 -0.874 -2.104 -11.078 1.00 0.00 C ATOM 831 CD LYS A 54 -1.321 -1.729 -12.466 1.00 0.00 C ATOM 832 CE LYS A 54 -2.297 -0.581 -12.386 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.605 0.700 -12.104 1.00 0.00 N ATOM 0 H LYS A 54 -3.222 -4.280 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.127 -2.520 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.662 -3.977 -10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.881 -2.799 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.660 -1.201 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.054 -2.673 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.461 -1.448 -13.073 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.789 -2.585 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.845 -0.501 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.031 -0.779 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.263 1.491 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.276 0.707 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.790 0.802 -12.742 1.00 0.00 H new ATOM 847 N LYS A 55 -4.015 -1.108 -8.999 1.00 0.00 N ATOM 848 CA LYS A 55 -4.706 0.159 -9.008 1.00 0.00 C ATOM 849 C LYS A 55 -4.680 0.830 -7.660 1.00 0.00 C ATOM 850 O LYS A 55 -4.564 2.038 -7.577 1.00 0.00 O ATOM 851 CB LYS A 55 -6.131 0.034 -9.508 1.00 0.00 C ATOM 852 CG LYS A 55 -6.284 0.052 -11.015 1.00 0.00 C ATOM 853 CD LYS A 55 -5.939 1.422 -11.624 1.00 0.00 C ATOM 854 CE LYS A 55 -6.879 2.531 -11.128 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.601 3.843 -11.759 1.00 0.00 N ATOM 0 H LYS A 55 -4.615 -1.924 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.161 0.791 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.554 -0.895 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.720 0.849 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.638 -0.710 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.309 -0.211 -11.276 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.910 1.681 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.996 1.359 -12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.911 2.245 -11.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.783 2.625 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.898 4.606 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.582 3.928 -11.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.128 3.917 -12.653 1.00 0.00 H new ATOM 869 N LEU A 56 -4.758 0.045 -6.614 1.00 0.00 N ATOM 870 CA LEU A 56 -4.745 0.585 -5.275 1.00 0.00 C ATOM 871 C LEU A 56 -3.384 1.214 -4.976 1.00 0.00 C ATOM 872 O LEU A 56 -3.312 2.298 -4.417 1.00 0.00 O ATOM 873 CB LEU A 56 -5.094 -0.485 -4.239 1.00 0.00 C ATOM 874 CG LEU A 56 -5.260 0.023 -2.799 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.413 1.011 -2.694 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.462 -1.127 -1.846 1.00 0.00 C ATOM 0 H LEU A 56 -4.831 -0.971 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.509 1.360 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.020 -0.973 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.314 -1.246 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.343 0.543 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.506 1.353 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.221 1.865 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.339 0.524 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.577 -0.743 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.357 -1.681 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.598 -1.790 -1.887 1.00 0.00 H new ATOM 888 N ALA A 57 -2.313 0.544 -5.413 1.00 0.00 N ATOM 889 CA ALA A 57 -0.933 1.048 -5.239 1.00 0.00 C ATOM 890 C ALA A 57 -0.779 2.412 -5.901 1.00 0.00 C ATOM 891 O ALA A 57 -0.125 3.319 -5.379 1.00 0.00 O ATOM 892 CB ALA A 57 0.060 0.078 -5.863 1.00 0.00 C ATOM 0 H ALA A 57 -2.369 -0.354 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.734 1.140 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.073 0.458 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.029 -0.895 -5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.152 -0.025 -6.927 1.00 0.00 H new ATOM 898 N GLU A 58 -1.446 2.546 -7.017 1.00 0.00 N ATOM 899 CA GLU A 58 -1.437 3.739 -7.835 1.00 0.00 C ATOM 900 C GLU A 58 -2.133 4.897 -7.091 1.00 0.00 C ATOM 901 O GLU A 58 -1.813 6.069 -7.277 1.00 0.00 O ATOM 902 CB GLU A 58 -2.175 3.399 -9.118 1.00 0.00 C ATOM 903 CG GLU A 58 -2.162 4.442 -10.193 1.00 0.00 C ATOM 904 CD GLU A 58 -3.056 4.038 -11.322 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.766 3.038 -12.000 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.113 4.674 -11.516 1.00 0.00 O ATOM 0 H GLU A 58 -2.032 1.804 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.419 4.060 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.746 2.483 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.213 3.181 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.490 5.398 -9.785 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.145 4.584 -10.559 1.00 0.00 H new ATOM 913 N ILE A 59 -3.069 4.557 -6.247 1.00 0.00 N ATOM 914 CA ILE A 59 -3.780 5.541 -5.467 1.00 0.00 C ATOM 915 C ILE A 59 -2.987 5.864 -4.196 1.00 0.00 C ATOM 916 O ILE A 59 -3.032 6.982 -3.689 1.00 0.00 O ATOM 917 CB ILE A 59 -5.205 5.047 -5.167 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.906 4.809 -6.497 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.981 6.082 -4.352 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.062 3.877 -6.424 1.00 0.00 C ATOM 0 H ILE A 59 -3.362 3.594 -6.079 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.878 6.468 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.160 4.128 -4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.251 5.766 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.182 4.415 -7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.986 5.709 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.467 6.262 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.045 7.014 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.502 3.765 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.724 2.905 -6.065 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.809 4.277 -5.738 1.00 0.00 H new ATOM 932 N LEU A 60 -2.222 4.890 -3.714 1.00 0.00 N ATOM 933 CA LEU A 60 -1.310 5.128 -2.598 1.00 0.00 C ATOM 934 C LEU A 60 -0.270 6.169 -2.978 1.00 0.00 C ATOM 935 O LEU A 60 0.007 7.075 -2.203 1.00 0.00 O ATOM 936 CB LEU A 60 -0.606 3.839 -2.102 1.00 0.00 C ATOM 937 CG LEU A 60 -1.278 3.020 -0.971 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.428 3.848 0.299 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.612 2.449 -1.391 1.00 0.00 C ATOM 0 H LEU A 60 -2.214 3.936 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.921 5.496 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.480 3.179 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.392 4.116 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.615 2.181 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.903 3.245 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.445 4.170 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.044 4.723 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.042 1.884 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.285 3.261 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.472 1.789 -2.247 1.00 0.00 H new ATOM 951 N VAL A 61 0.268 6.068 -4.194 1.00 0.00 N ATOM 952 CA VAL A 61 1.297 7.014 -4.647 1.00 0.00 C ATOM 953 C VAL A 61 0.691 8.373 -5.015 1.00 0.00 C ATOM 954 O VAL A 61 1.404 9.363 -5.161 1.00 0.00 O ATOM 955 CB VAL A 61 2.156 6.466 -5.832 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.800 5.139 -5.472 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.346 6.336 -7.116 1.00 0.00 C ATOM 0 H VAL A 61 0.016 5.353 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 61 1.968 7.147 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 61 2.944 7.196 -6.015 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.392 4.781 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.447 5.272 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.024 4.410 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.984 5.952 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.515 5.650 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.958 7.314 -7.402 1.00 0.00 H new ATOM 967 N ASN A 62 -0.622 8.400 -5.139 1.00 0.00 N ATOM 968 CA ASN A 62 -1.365 9.613 -5.475 1.00 0.00 C ATOM 969 C ASN A 62 -1.334 10.594 -4.309 1.00 0.00 C ATOM 970 O ASN A 62 -1.141 11.797 -4.491 1.00 0.00 O ATOM 971 CB ASN A 62 -2.826 9.248 -5.827 1.00 0.00 C ATOM 972 CG ASN A 62 -3.734 10.438 -6.105 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.307 11.489 -6.575 1.00 0.00 O ATOM 974 ND2 ASN A 62 -5.002 10.267 -5.821 1.00 0.00 N ATOM 0 H ASN A 62 -1.213 7.579 -5.010 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.897 10.088 -6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.822 8.600 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.249 8.671 -5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.669 11.020 -5.990 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.322 9.380 -5.431 1.00 0.00 H new ATOM 981 N THR A 63 -1.491 10.083 -3.119 1.00 0.00 N ATOM 982 CA THR A 63 -1.538 10.929 -1.957 1.00 0.00 C ATOM 983 C THR A 63 -0.288 10.814 -1.105 1.00 0.00 C ATOM 984 O THR A 63 0.455 11.780 -0.934 1.00 0.00 O ATOM 985 CB THR A 63 -2.786 10.611 -1.106 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.899 9.182 -0.926 1.00 0.00 O ATOM 987 CG2 THR A 63 -4.038 11.139 -1.773 1.00 0.00 C ATOM 0 H THR A 63 -1.589 9.086 -2.928 1.00 0.00 H new ATOM 0 HA THR A 63 -1.595 11.956 -2.317 1.00 0.00 H new ATOM 0 HB THR A 63 -2.678 11.097 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.691 8.982 -0.384 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.906 10.904 -1.156 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.959 12.220 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.152 10.674 -2.752 1.00 0.00 H new ATOM 995 N SER A 64 -0.043 9.633 -0.646 1.00 0.00 N ATOM 996 CA SER A 64 0.973 9.358 0.312 1.00 0.00 C ATOM 997 C SER A 64 2.377 9.585 -0.266 1.00 0.00 C ATOM 998 O SER A 64 2.636 9.307 -1.449 1.00 0.00 O ATOM 999 CB SER A 64 0.801 7.923 0.731 1.00 0.00 C ATOM 1000 OG SER A 64 -0.573 7.632 0.977 1.00 0.00 O ATOM 0 H SER A 64 -0.562 8.805 -0.938 1.00 0.00 H new ATOM 0 HA SER A 64 0.878 10.033 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.184 7.263 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.386 7.729 1.630 1.00 0.00 H new ATOM 0 HG SER A 64 -0.666 6.694 1.247 1.00 0.00 H new ATOM 1006 N SER A 65 3.252 10.115 0.550 1.00 0.00 N ATOM 1007 CA SER A 65 4.625 10.318 0.174 1.00 0.00 C ATOM 1008 C SER A 65 5.305 8.943 0.078 1.00 0.00 C ATOM 1009 O SER A 65 5.070 8.087 0.927 1.00 0.00 O ATOM 1010 CB SER A 65 5.267 11.208 1.224 1.00 0.00 C ATOM 1011 OG SER A 65 4.465 12.370 1.414 1.00 0.00 O ATOM 0 H SER A 65 3.030 10.419 1.498 1.00 0.00 H new ATOM 0 HA SER A 65 4.723 10.808 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.369 10.665 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.271 11.493 0.910 1.00 0.00 H new ATOM 0 HG SER A 65 4.877 12.945 2.093 1.00 0.00 H new ATOM 1017 N GLU A 66 6.111 8.731 -0.954 1.00 0.00 N ATOM 1018 CA GLU A 66 6.706 7.416 -1.247 1.00 0.00 C ATOM 1019 C GLU A 66 7.469 6.803 -0.063 1.00 0.00 C ATOM 1020 O GLU A 66 7.314 5.616 0.239 1.00 0.00 O ATOM 1021 CB GLU A 66 7.579 7.471 -2.508 1.00 0.00 C ATOM 1022 CG GLU A 66 8.716 8.468 -2.448 1.00 0.00 C ATOM 1023 CD GLU A 66 9.534 8.488 -3.706 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.192 9.256 -4.640 1.00 0.00 O ATOM 1025 OE2 GLU A 66 10.520 7.762 -3.792 1.00 0.00 O ATOM 0 H GLU A 66 6.376 9.460 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 66 5.868 6.745 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.993 6.479 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.946 7.714 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.312 9.464 -2.266 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.361 8.227 -1.603 1.00 0.00 H new ATOM 1032 N ASN A 67 8.210 7.623 0.650 1.00 0.00 N ATOM 1033 CA ASN A 67 9.012 7.138 1.776 1.00 0.00 C ATOM 1034 C ASN A 67 8.122 6.868 2.991 1.00 0.00 C ATOM 1035 O ASN A 67 8.495 6.181 3.926 1.00 0.00 O ATOM 1036 CB ASN A 67 10.154 8.116 2.103 1.00 0.00 C ATOM 1037 CG ASN A 67 11.080 7.635 3.213 1.00 0.00 C ATOM 1038 OD1 ASN A 67 12.059 6.905 2.964 1.00 0.00 O ATOM 1039 ND2 ASN A 67 10.814 8.062 4.422 1.00 0.00 N ATOM 0 H ASN A 67 8.281 8.626 0.479 1.00 0.00 H new ATOM 0 HA ASN A 67 9.475 6.193 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.742 8.287 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.726 9.076 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.418 7.798 5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.003 8.658 4.585 1.00 0.00 H new ATOM 1046 N TRP A 68 6.930 7.377 2.940 1.00 0.00 N ATOM 1047 CA TRP A 68 5.961 7.141 3.970 1.00 0.00 C ATOM 1048 C TRP A 68 5.261 5.810 3.668 1.00 0.00 C ATOM 1049 O TRP A 68 5.082 4.969 4.561 1.00 0.00 O ATOM 1050 CB TRP A 68 4.953 8.306 3.994 1.00 0.00 C ATOM 1051 CG TRP A 68 3.869 8.209 5.027 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.877 8.753 6.268 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.611 7.542 4.892 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.696 8.471 6.912 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.906 7.729 6.086 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.015 6.810 3.872 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.636 7.206 6.286 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.764 6.293 4.066 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.085 6.494 5.258 1.00 0.00 C ATOM 0 H TRP A 68 6.598 7.971 2.180 1.00 0.00 H new ATOM 0 HA TRP A 68 6.435 7.083 4.950 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.502 9.234 4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.487 8.379 3.011 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.691 9.324 6.689 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.450 8.769 7.856 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.533 6.651 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.106 7.355 7.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.298 5.719 3.279 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.904 6.077 5.377 1.00 0.00 H new ATOM 1070 N ILE A 69 4.929 5.609 2.384 1.00 0.00 N ATOM 1071 CA ILE A 69 4.184 4.424 1.915 1.00 0.00 C ATOM 1072 C ILE A 69 4.933 3.140 2.212 1.00 0.00 C ATOM 1073 O ILE A 69 4.320 2.145 2.615 1.00 0.00 O ATOM 1074 CB ILE A 69 3.908 4.443 0.387 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.292 5.752 -0.038 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.943 3.314 0.039 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.132 5.898 -1.536 1.00 0.00 C ATOM 0 H ILE A 69 5.168 6.262 1.638 1.00 0.00 H new ATOM 0 HA ILE A 69 3.239 4.461 2.457 1.00 0.00 H new ATOM 0 HB ILE A 69 4.857 4.316 -0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.314 5.852 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.910 6.570 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.745 3.322 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.385 2.358 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.008 3.454 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.682 6.865 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.109 5.832 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.489 5.102 -1.912 1.00 0.00 H new ATOM 1089 N ARG A 70 6.255 3.185 2.035 1.00 0.00 N ATOM 1090 CA ARG A 70 7.124 2.020 2.221 1.00 0.00 C ATOM 1091 C ARG A 70 6.882 1.356 3.585 1.00 0.00 C ATOM 1092 O ARG A 70 6.759 0.152 3.674 1.00 0.00 O ATOM 1093 CB ARG A 70 8.615 2.411 2.033 1.00 0.00 C ATOM 1094 CG ARG A 70 9.182 3.319 3.120 1.00 0.00 C ATOM 1095 CD ARG A 70 10.540 3.895 2.756 1.00 0.00 C ATOM 1096 NE ARG A 70 11.544 2.881 2.486 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.805 3.136 2.147 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.264 4.395 2.140 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.608 2.126 1.816 1.00 0.00 N ATOM 0 H ARG A 70 6.754 4.030 1.758 1.00 0.00 H new ATOM 0 HA ARG A 70 6.873 1.285 1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.212 1.500 1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.727 2.908 1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.484 4.135 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.268 2.756 4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.433 4.532 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.887 4.531 3.571 1.00 0.00 H new ATOM 0 HE ARG A 70 11.262 1.904 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.645 5.165 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.232 4.584 1.879 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.254 1.169 1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.577 2.309 1.554 1.00 0.00 H new ATOM 1113 N ASN A 71 6.729 2.173 4.614 1.00 0.00 N ATOM 1114 CA ASN A 71 6.505 1.680 5.963 1.00 0.00 C ATOM 1115 C ASN A 71 5.019 1.439 6.171 1.00 0.00 C ATOM 1116 O ASN A 71 4.615 0.472 6.811 1.00 0.00 O ATOM 1117 CB ASN A 71 7.009 2.714 6.979 1.00 0.00 C ATOM 1118 CG ASN A 71 6.895 2.260 8.431 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.815 1.656 8.975 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.793 2.560 9.072 1.00 0.00 N ATOM 0 H ASN A 71 6.756 3.190 4.539 1.00 0.00 H new ATOM 0 HA ASN A 71 7.047 0.745 6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.052 2.944 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.445 3.638 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.682 2.291 10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.045 3.063 8.594 1.00 0.00 H new ATOM 1127 N ALA A 72 4.214 2.321 5.581 1.00 0.00 N ATOM 1128 CA ALA A 72 2.762 2.297 5.707 1.00 0.00 C ATOM 1129 C ALA A 72 2.169 0.961 5.319 1.00 0.00 C ATOM 1130 O ALA A 72 1.450 0.339 6.100 1.00 0.00 O ATOM 1131 CB ALA A 72 2.148 3.372 4.860 1.00 0.00 C ATOM 0 H ALA A 72 4.559 3.081 4.995 1.00 0.00 H new ATOM 0 HA ALA A 72 2.536 2.471 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.063 3.342 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.517 4.345 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.417 3.211 3.816 1.00 0.00 H new ATOM 1137 N THR A 73 2.502 0.507 4.126 1.00 0.00 N ATOM 1138 CA THR A 73 1.966 -0.731 3.611 1.00 0.00 C ATOM 1139 C THR A 73 2.434 -1.919 4.451 1.00 0.00 C ATOM 1140 O THR A 73 1.672 -2.861 4.670 1.00 0.00 O ATOM 1141 CB THR A 73 2.332 -0.941 2.111 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.750 -2.150 1.610 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.836 -0.987 1.918 1.00 0.00 C ATOM 0 H THR A 73 3.146 0.983 3.494 1.00 0.00 H new ATOM 0 HA THR A 73 0.880 -0.666 3.678 1.00 0.00 H new ATOM 0 HB THR A 73 1.931 -0.094 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.990 -2.262 0.667 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.063 -1.134 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.275 -0.048 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.252 -1.811 2.497 1.00 0.00 H new ATOM 1151 N VAL A 74 3.657 -1.843 4.957 1.00 0.00 N ATOM 1152 CA VAL A 74 4.220 -2.907 5.747 1.00 0.00 C ATOM 1153 C VAL A 74 3.475 -3.026 7.066 1.00 0.00 C ATOM 1154 O VAL A 74 3.130 -4.128 7.488 1.00 0.00 O ATOM 1155 CB VAL A 74 5.735 -2.701 5.995 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.250 -3.755 6.920 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.511 -2.760 4.691 1.00 0.00 C ATOM 0 H VAL A 74 4.277 -1.043 4.827 1.00 0.00 H new ATOM 0 HA VAL A 74 4.107 -3.835 5.186 1.00 0.00 H new ATOM 0 HB VAL A 74 5.872 -1.717 6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.316 -3.602 7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.720 -3.695 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.090 -4.738 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.572 -2.613 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.362 -3.733 4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.156 -1.977 4.021 1.00 0.00 H new ATOM 1167 N ASN A 75 3.185 -1.888 7.674 1.00 0.00 N ATOM 1168 CA ASN A 75 2.441 -1.846 8.929 1.00 0.00 C ATOM 1169 C ASN A 75 1.061 -2.474 8.732 1.00 0.00 C ATOM 1170 O ASN A 75 0.632 -3.279 9.536 1.00 0.00 O ATOM 1171 CB ASN A 75 2.307 -0.400 9.436 1.00 0.00 C ATOM 1172 CG ASN A 75 1.706 -0.304 10.839 1.00 0.00 C ATOM 1173 OD1 ASN A 75 1.885 -1.191 11.670 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.010 0.770 11.115 1.00 0.00 N ATOM 0 H ASN A 75 3.455 -0.971 7.318 1.00 0.00 H new ATOM 0 HA ASN A 75 2.988 -2.416 9.680 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.290 0.070 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.684 0.165 8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.599 0.887 12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.879 1.489 10.404 1.00 0.00 H new ATOM 1181 N ILE A 76 0.402 -2.148 7.612 1.00 0.00 N ATOM 1182 CA ILE A 76 -0.919 -2.721 7.306 1.00 0.00 C ATOM 1183 C ILE A 76 -0.796 -4.253 7.114 1.00 0.00 C ATOM 1184 O ILE A 76 -1.621 -5.016 7.612 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.575 -2.094 6.037 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.628 -0.549 6.117 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -2.988 -2.650 5.847 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.495 0.022 7.224 1.00 0.00 C ATOM 0 H ILE A 76 0.755 -1.499 6.909 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.565 -2.491 8.153 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.955 -2.363 5.182 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.612 -0.175 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.990 -0.166 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.437 -2.206 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.940 -3.732 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.595 -2.408 6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.460 1.111 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.524 -0.313 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.125 -0.322 8.190 1.00 0.00 H new ATOM 1200 N LEU A 77 0.255 -4.688 6.412 1.00 0.00 N ATOM 1201 CA LEU A 77 0.546 -6.122 6.243 1.00 0.00 C ATOM 1202 C LEU A 77 0.766 -6.790 7.600 1.00 0.00 C ATOM 1203 O LEU A 77 0.248 -7.888 7.860 1.00 0.00 O ATOM 1204 CB LEU A 77 1.761 -6.331 5.327 1.00 0.00 C ATOM 1205 CG LEU A 77 1.495 -6.279 3.823 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.565 -5.471 3.112 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.515 -7.675 3.265 1.00 0.00 C ATOM 0 H LEU A 77 0.921 -4.070 5.950 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.316 -6.590 5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.506 -5.572 5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.204 -7.299 5.562 1.00 0.00 H new ATOM 0 HG LEU A 77 0.523 -5.811 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.354 -5.449 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.572 -4.453 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.539 -5.930 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.325 -7.641 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.491 -8.126 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.743 -8.272 3.751 1.00 0.00 H new ATOM 1219 N GLU A 78 1.504 -6.111 8.465 1.00 0.00 N ATOM 1220 CA GLU A 78 1.731 -6.550 9.829 1.00 0.00 C ATOM 1221 C GLU A 78 0.407 -6.630 10.612 1.00 0.00 C ATOM 1222 O GLU A 78 0.202 -7.551 11.413 1.00 0.00 O ATOM 1223 CB GLU A 78 2.759 -5.646 10.545 1.00 0.00 C ATOM 1224 CG GLU A 78 4.222 -5.893 10.152 1.00 0.00 C ATOM 1225 CD GLU A 78 5.212 -5.066 10.971 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.050 -4.978 12.215 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.200 -4.542 10.409 1.00 0.00 O ATOM 0 H GLU A 78 1.966 -5.231 8.235 1.00 0.00 H new ATOM 0 HA GLU A 78 2.152 -7.555 9.791 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.513 -4.605 10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.658 -5.788 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.452 -6.951 10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.352 -5.661 9.095 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.493 -5.690 10.352 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.828 -5.661 10.965 1.00 0.00 C ATOM 1236 C GLU A 79 -2.714 -6.799 10.439 1.00 0.00 C ATOM 1237 O GLU A 79 -3.690 -7.183 11.078 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.520 -4.324 10.701 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.853 -3.109 11.335 1.00 0.00 C ATOM 1240 CD GLU A 79 -1.832 -3.168 12.839 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.845 -2.802 13.471 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -0.806 -3.569 13.424 1.00 0.00 O ATOM 0 H GLU A 79 -0.322 -4.919 9.707 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.688 -5.792 12.038 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.573 -4.168 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.545 -4.386 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.831 -3.029 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.378 -2.207 11.019 1.00 0.00 H new ATOM 1249 N MET A 80 -2.377 -7.332 9.270 1.00 0.00 N ATOM 1250 CA MET A 80 -3.143 -8.430 8.687 1.00 0.00 C ATOM 1251 C MET A 80 -2.554 -9.766 9.099 1.00 0.00 C ATOM 1252 O MET A 80 -3.095 -10.823 8.762 1.00 0.00 O ATOM 1253 CB MET A 80 -3.196 -8.341 7.153 1.00 0.00 C ATOM 1254 CG MET A 80 -3.928 -7.127 6.612 1.00 0.00 C ATOM 1255 SD MET A 80 -4.021 -7.082 4.809 1.00 0.00 S ATOM 1256 CE MET A 80 -4.959 -8.575 4.471 1.00 0.00 C ATOM 0 H MET A 80 -1.583 -7.024 8.709 1.00 0.00 H new ATOM 0 HA MET A 80 -4.162 -8.348 9.066 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.176 -8.335 6.768 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.677 -9.240 6.767 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.939 -7.111 7.020 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.428 -6.225 6.964 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.265 -8.584 3.425 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.339 -9.448 4.675 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.843 -8.601 5.108 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.430 -9.699 9.831 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.691 -10.880 10.335 1.00 0.00 C ATOM 1268 C ASN A 81 -0.034 -11.621 9.154 1.00 0.00 C ATOM 1269 O ASN A 81 0.336 -12.778 9.236 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.636 -11.792 11.179 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.965 -12.950 11.904 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.444 -12.795 13.003 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.069 -14.106 11.353 1.00 0.00 N ATOM 0 H ASN A 81 -0.999 -8.813 10.096 1.00 0.00 H new ATOM 0 HA ASN A 81 0.110 -10.564 11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.145 -11.172 11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.404 -12.197 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.712 -14.933 11.831 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.509 -14.197 10.437 1.00 0.00 H new ATOM 1280 N LEU A 82 0.147 -10.901 8.071 1.00 0.00 N ATOM 1281 CA LEU A 82 0.775 -11.430 6.880 1.00 0.00 C ATOM 1282 C LEU A 82 2.280 -11.459 7.087 1.00 0.00 C ATOM 1283 O LEU A 82 2.845 -10.507 7.617 1.00 0.00 O ATOM 1284 CB LEU A 82 0.415 -10.546 5.669 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.058 -10.562 5.226 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.314 -9.548 4.125 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.436 -11.927 4.731 1.00 0.00 C ATOM 0 H LEU A 82 -0.139 -9.925 7.990 1.00 0.00 H new ATOM 0 HA LEU A 82 0.420 -12.442 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.691 -9.518 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.030 -10.857 4.824 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.665 -10.300 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.364 -9.584 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.072 -8.549 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.690 -9.782 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.481 -11.925 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.806 -12.194 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.296 -12.655 5.530 1.00 0.00 H new ATOM 1299 N THR A 83 2.927 -12.531 6.697 1.00 0.00 N ATOM 1300 CA THR A 83 4.359 -12.624 6.860 1.00 0.00 C ATOM 1301 C THR A 83 5.055 -12.732 5.534 1.00 0.00 C ATOM 1302 O THR A 83 5.862 -11.897 5.202 1.00 0.00 O ATOM 1303 CB THR A 83 4.781 -13.790 7.773 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.044 -14.988 7.464 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.631 -13.432 9.226 1.00 0.00 C ATOM 0 H THR A 83 2.489 -13.346 6.267 1.00 0.00 H new ATOM 0 HA THR A 83 4.666 -11.699 7.348 1.00 0.00 H new ATOM 0 HB THR A 83 5.837 -13.985 7.584 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.333 -15.712 8.057 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.937 -14.277 9.842 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.258 -12.570 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.589 -13.189 9.435 1.00 0.00 H new ATOM 1313 N GLU A 84 4.660 -13.716 4.769 1.00 0.00 N ATOM 1314 CA GLU A 84 5.237 -14.053 3.471 1.00 0.00 C ATOM 1315 C GLU A 84 5.471 -12.831 2.568 1.00 0.00 C ATOM 1316 O GLU A 84 6.617 -12.460 2.288 1.00 0.00 O ATOM 1317 CB GLU A 84 4.384 -15.134 2.759 1.00 0.00 C ATOM 1318 CG GLU A 84 2.843 -14.973 2.882 1.00 0.00 C ATOM 1319 CD GLU A 84 2.286 -15.427 4.215 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.058 -16.638 4.392 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.080 -14.575 5.107 1.00 0.00 O ATOM 0 H GLU A 84 3.896 -14.337 5.035 1.00 0.00 H new ATOM 0 HA GLU A 84 6.228 -14.463 3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.646 -15.137 1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.661 -16.109 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.583 -13.926 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.363 -15.541 2.085 1.00 0.00 H new ATOM 1328 N LEU A 85 4.410 -12.182 2.173 1.00 0.00 N ATOM 1329 CA LEU A 85 4.513 -11.021 1.319 1.00 0.00 C ATOM 1330 C LEU A 85 4.915 -9.769 2.110 1.00 0.00 C ATOM 1331 O LEU A 85 5.494 -8.849 1.580 1.00 0.00 O ATOM 1332 CB LEU A 85 3.236 -10.789 0.475 1.00 0.00 C ATOM 1333 CG LEU A 85 1.908 -10.445 1.182 1.00 0.00 C ATOM 1334 CD1 LEU A 85 0.862 -10.097 0.152 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.391 -11.591 2.041 1.00 0.00 C ATOM 0 H LEU A 85 3.456 -12.436 2.429 1.00 0.00 H new ATOM 0 HA LEU A 85 5.315 -11.226 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.451 -9.983 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.067 -11.689 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 85 2.104 -9.597 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.075 -9.854 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.196 -9.238 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.709 -10.947 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.455 -11.296 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.221 -12.467 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.127 -11.831 2.808 1.00 0.00 H new ATOM 1347 N CYS A 86 4.667 -9.773 3.381 1.00 0.00 N ATOM 1348 CA CYS A 86 5.033 -8.648 4.225 1.00 0.00 C ATOM 1349 C CYS A 86 6.557 -8.564 4.318 1.00 0.00 C ATOM 1350 O CYS A 86 7.146 -7.497 4.238 1.00 0.00 O ATOM 1351 CB CYS A 86 4.440 -8.859 5.580 1.00 0.00 C ATOM 1352 SG CYS A 86 4.828 -7.604 6.824 1.00 0.00 S ATOM 0 H CYS A 86 4.210 -10.541 3.873 1.00 0.00 H new ATOM 0 HA CYS A 86 4.656 -7.715 3.806 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.356 -8.914 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.774 -9.827 5.954 1.00 0.00 H new ATOM 0 HG CYS A 86 4.087 -7.792 7.876 1.00 0.00 H new ATOM 1358 N LYS A 87 7.180 -9.711 4.428 1.00 0.00 N ATOM 1359 CA LYS A 87 8.614 -9.828 4.469 1.00 0.00 C ATOM 1360 C LYS A 87 9.209 -9.570 3.100 1.00 0.00 C ATOM 1361 O LYS A 87 10.369 -9.181 2.975 1.00 0.00 O ATOM 1362 CB LYS A 87 8.994 -11.186 5.017 1.00 0.00 C ATOM 1363 CG LYS A 87 8.705 -11.303 6.510 1.00 0.00 C ATOM 1364 CD LYS A 87 8.681 -12.740 6.993 1.00 0.00 C ATOM 1365 CE LYS A 87 9.895 -13.511 6.545 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.934 -14.863 7.134 1.00 0.00 N ATOM 0 H LYS A 87 6.694 -10.606 4.493 1.00 0.00 H new ATOM 0 HA LYS A 87 9.027 -9.071 5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.445 -11.960 4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.054 -11.365 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.462 -10.750 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.745 -10.835 6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.625 -12.755 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.782 -13.232 6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.896 -13.588 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.796 -12.966 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.784 -15.362 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.959 -14.789 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.087 -15.392 6.845 1.00 0.00 H new ATOM 1380 N MET A 88 8.402 -9.757 2.081 1.00 0.00 N ATOM 1381 CA MET A 88 8.785 -9.425 0.730 1.00 0.00 C ATOM 1382 C MET A 88 8.885 -7.907 0.648 1.00 0.00 C ATOM 1383 O MET A 88 9.793 -7.356 0.041 1.00 0.00 O ATOM 1384 CB MET A 88 7.732 -9.943 -0.245 1.00 0.00 C ATOM 1385 CG MET A 88 8.101 -9.823 -1.708 1.00 0.00 C ATOM 1386 SD MET A 88 6.773 -10.383 -2.802 1.00 0.00 S ATOM 1387 CE MET A 88 7.586 -10.222 -4.393 1.00 0.00 C ATOM 0 H MET A 88 7.462 -10.144 2.166 1.00 0.00 H new ATOM 0 HA MET A 88 9.739 -9.883 0.469 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.535 -10.991 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.802 -9.400 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.342 -8.784 -1.935 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.000 -10.408 -1.903 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.902 -10.529 -5.184 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.878 -9.184 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.473 -10.856 -4.414 1.00 0.00 H new ATOM 1397 N ALA A 89 7.972 -7.239 1.342 1.00 0.00 N ATOM 1398 CA ALA A 89 7.971 -5.796 1.416 1.00 0.00 C ATOM 1399 C ALA A 89 9.132 -5.335 2.279 1.00 0.00 C ATOM 1400 O ALA A 89 9.759 -4.328 1.993 1.00 0.00 O ATOM 1401 CB ALA A 89 6.664 -5.283 1.978 1.00 0.00 C ATOM 0 H ALA A 89 7.218 -7.686 1.864 1.00 0.00 H new ATOM 0 HA ALA A 89 8.083 -5.393 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.690 -4.194 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.842 -5.600 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.517 -5.684 2.981 1.00 0.00 H new ATOM 1407 N LYS A 90 9.422 -6.111 3.329 1.00 0.00 N ATOM 1408 CA LYS A 90 10.563 -5.870 4.240 1.00 0.00 C ATOM 1409 C LYS A 90 11.879 -5.918 3.499 1.00 0.00 C ATOM 1410 O LYS A 90 12.852 -5.342 3.924 1.00 0.00 O ATOM 1411 CB LYS A 90 10.629 -6.933 5.347 1.00 0.00 C ATOM 1412 CG LYS A 90 9.513 -6.910 6.366 1.00 0.00 C ATOM 1413 CD LYS A 90 9.547 -5.644 7.173 1.00 0.00 C ATOM 1414 CE LYS A 90 8.540 -5.698 8.293 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.584 -4.500 9.144 1.00 0.00 N ATOM 0 H LYS A 90 8.871 -6.932 3.579 1.00 0.00 H new ATOM 0 HA LYS A 90 10.404 -4.881 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.642 -7.916 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.576 -6.819 5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.552 -6.997 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.603 -7.771 7.029 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.546 -5.495 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.336 -4.791 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.540 -5.806 7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.727 -6.581 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.727 -4.460 9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.422 -4.541 9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.634 -3.651 8.546 1.00 0.00 H new ATOM 1429 N ALA A 91 11.910 -6.637 2.426 1.00 0.00 N ATOM 1430 CA ALA A 91 13.118 -6.782 1.661 1.00 0.00 C ATOM 1431 C ALA A 91 13.264 -5.669 0.631 1.00 0.00 C ATOM 1432 O ALA A 91 14.372 -5.273 0.270 1.00 0.00 O ATOM 1433 CB ALA A 91 13.116 -8.137 0.981 1.00 0.00 C ATOM 0 H ALA A 91 11.106 -7.141 2.051 1.00 0.00 H new ATOM 0 HA ALA A 91 13.970 -6.711 2.337 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.030 -8.253 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.064 -8.922 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.253 -8.211 0.320 1.00 0.00 H new ATOM 1439 N GLU A 92 12.147 -5.127 0.228 1.00 0.00 N ATOM 1440 CA GLU A 92 12.090 -4.218 -0.895 1.00 0.00 C ATOM 1441 C GLU A 92 11.757 -2.772 -0.505 1.00 0.00 C ATOM 1442 O GLU A 92 12.590 -1.880 -0.645 1.00 0.00 O ATOM 1443 CB GLU A 92 11.067 -4.759 -1.846 1.00 0.00 C ATOM 1444 CG GLU A 92 11.448 -6.090 -2.459 1.00 0.00 C ATOM 1445 CD GLU A 92 12.601 -5.961 -3.416 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.434 -5.342 -4.467 1.00 0.00 O ATOM 1447 OE2 GLU A 92 13.703 -6.468 -3.121 1.00 0.00 O ATOM 0 H GLU A 92 11.244 -5.301 0.669 1.00 0.00 H new ATOM 0 HA GLU A 92 13.079 -4.164 -1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.118 -4.869 -1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.907 -4.034 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.711 -6.792 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.588 -6.508 -2.982 1.00 0.00 H new ATOM 1454 N MET A 93 10.535 -2.546 -0.039 1.00 0.00 N ATOM 1455 CA MET A 93 10.104 -1.215 0.367 1.00 0.00 C ATOM 1456 C MET A 93 10.688 -0.843 1.709 1.00 0.00 C ATOM 1457 O MET A 93 11.227 0.248 1.871 1.00 0.00 O ATOM 1458 CB MET A 93 8.583 -1.070 0.325 1.00 0.00 C ATOM 1459 CG MET A 93 8.075 -0.802 -1.064 1.00 0.00 C ATOM 1460 SD MET A 93 6.322 -0.616 -1.112 1.00 0.00 S ATOM 1461 CE MET A 93 5.811 -2.239 -0.578 1.00 0.00 C ATOM 0 H MET A 93 9.824 -3.269 0.067 1.00 0.00 H new ATOM 0 HA MET A 93 10.494 -0.501 -0.359 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.122 -1.980 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.279 -0.257 0.984 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.545 0.102 -1.452 1.00 0.00 H new ATOM 0 HG3 MET A 93 8.369 -1.621 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 93 4.826 -2.464 -0.988 1.00 0.00 H new ATOM 0 HE2 MET A 93 6.529 -2.980 -0.930 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.765 -2.266 0.511 1.00 0.00 H new ATOM 1471 N MET A 94 10.621 -1.788 2.648 1.00 0.00 N ATOM 1472 CA MET A 94 11.250 -1.688 3.983 1.00 0.00 C ATOM 1473 C MET A 94 10.677 -0.562 4.841 1.00 0.00 C ATOM 1474 O MET A 94 9.724 0.117 4.465 1.00 0.00 O ATOM 1475 CB MET A 94 12.769 -1.480 3.836 1.00 0.00 C ATOM 1476 CG MET A 94 13.464 -2.545 3.024 1.00 0.00 C ATOM 1477 SD MET A 94 15.222 -2.231 2.805 1.00 0.00 S ATOM 1478 CE MET A 94 15.775 -2.261 4.507 1.00 0.00 C ATOM 0 H MET A 94 10.120 -2.665 2.507 1.00 0.00 H new ATOM 0 HA MET A 94 11.033 -2.627 4.492 1.00 0.00 H new ATOM 0 HB2 MET A 94 12.948 -0.510 3.372 1.00 0.00 H new ATOM 0 HB3 MET A 94 13.217 -1.446 4.829 1.00 0.00 H new ATOM 0 HG2 MET A 94 13.332 -3.510 3.513 1.00 0.00 H new ATOM 0 HG3 MET A 94 12.989 -2.615 2.045 1.00 0.00 H new ATOM 0 HE1 MET A 94 16.853 -2.421 4.537 1.00 0.00 H new ATOM 0 HE2 MET A 94 15.536 -1.311 4.984 1.00 0.00 H new ATOM 0 HE3 MET A 94 15.274 -3.070 5.038 1.00 0.00 H new ATOM 1488 N GLU A 95 11.282 -0.386 6.004 1.00 0.00 N ATOM 1489 CA GLU A 95 10.966 0.706 6.891 1.00 0.00 C ATOM 1490 C GLU A 95 11.699 1.947 6.399 1.00 0.00 C ATOM 1491 O GLU A 95 12.356 1.907 5.348 1.00 0.00 O ATOM 1492 CB GLU A 95 11.403 0.393 8.341 1.00 0.00 C ATOM 1493 CG GLU A 95 10.488 -0.541 9.142 1.00 0.00 C ATOM 1494 CD GLU A 95 10.308 -1.920 8.552 1.00 0.00 C ATOM 1495 OE1 GLU A 95 11.201 -2.771 8.719 1.00 0.00 O ATOM 1496 OE2 GLU A 95 9.246 -2.198 7.971 1.00 0.00 O ATOM 0 H GLU A 95 12.012 -1.006 6.356 1.00 0.00 H new ATOM 0 HA GLU A 95 9.888 0.865 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.399 -0.049 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 95 11.489 1.335 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 95 10.891 -0.643 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.509 -0.072 9.236 1.00 0.00 H new ATOM 1503 N ASP A 96 11.613 3.023 7.149 1.00 0.00 N ATOM 1504 CA ASP A 96 12.287 4.268 6.789 1.00 0.00 C ATOM 1505 C ASP A 96 13.797 4.080 6.786 1.00 0.00 C ATOM 1506 O ASP A 96 14.456 4.223 5.751 1.00 0.00 O ATOM 1507 CB ASP A 96 11.894 5.398 7.743 1.00 0.00 C ATOM 1508 CG ASP A 96 12.607 6.698 7.455 1.00 0.00 C ATOM 1509 OD1 ASP A 96 13.696 6.930 8.007 1.00 0.00 O ATOM 1510 OD2 ASP A 96 12.076 7.514 6.689 1.00 0.00 O ATOM 0 H ASP A 96 11.082 3.069 8.018 1.00 0.00 H new ATOM 0 HA ASP A 96 11.969 4.543 5.783 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.818 5.560 7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.110 5.092 8.766 1.00 0.00 H new ATOM 1515 N GLY A 97 14.331 3.730 7.919 1.00 0.00 N ATOM 1516 CA GLY A 97 15.743 3.499 8.013 1.00 0.00 C ATOM 1517 C GLY A 97 16.338 4.133 9.221 1.00 0.00 C ATOM 1518 O GLY A 97 17.100 5.101 9.123 1.00 0.00 O ATOM 0 H GLY A 97 13.813 3.599 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.933 2.426 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.233 3.889 7.121 1.00 0.00 H new ATOM 1522 N GLN A 98 15.985 3.612 10.360 1.00 0.00 N ATOM 1523 CA GLN A 98 16.513 4.100 11.604 1.00 0.00 C ATOM 1524 C GLN A 98 17.751 3.298 11.956 1.00 0.00 C ATOM 1525 O GLN A 98 18.759 3.838 12.441 1.00 0.00 O ATOM 1526 CB GLN A 98 15.499 3.963 12.750 1.00 0.00 C ATOM 1527 CG GLN A 98 14.163 4.702 12.587 1.00 0.00 C ATOM 1528 CD GLN A 98 13.207 4.076 11.579 1.00 0.00 C ATOM 1529 OE1 GLN A 98 13.230 2.876 11.337 1.00 0.00 O ATOM 1530 NE2 GLN A 98 12.338 4.865 11.022 1.00 0.00 N ATOM 0 H GLN A 98 15.326 2.840 10.455 1.00 0.00 H new ATOM 0 HA GLN A 98 16.746 5.158 11.480 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.286 2.903 12.889 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.973 4.316 13.666 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.668 4.747 13.557 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.366 5.729 12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.340 5.861 11.241 1.00 0.00 H new ATOM 0 HE22 GLN A 98 11.654 4.488 10.366 1.00 0.00 H new TER 1539 GLN A 98