USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 120 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-6!) USER MOD Set 1.2: B 123 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 2.1: A 120 HIS : no HD1:sc= -1.23! C(o=-1.2!,f=-6.4!) USER MOD Set 2.2: A 123 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Single : A 101 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.074) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0238) USER MOD Single : A 103 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 108 MET CE :methyl 141:sc= -0.414 (180deg=-2.01) USER MOD Single : A 111 LYS NZ :NH3+ -179:sc= 0.927 (180deg=0.923) USER MOD Single : A 113 SER OG : rot 89:sc= 0.186 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -177:sc= -5.95! (180deg=-6.12!) USER MOD Single : A 126 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 131 LYS NZ :NH3+ -135:sc= 1.22 (180deg=0.76) USER MOD Single : A 133 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 134 LYS NZ :NH3+ -176:sc= 0.284 (180deg=0.277) USER MOD Single : B 101 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.086) USER MOD Single : B 102 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0261) USER MOD Single : B 103 TYR OH : rot 180:sc= -1.33 USER MOD Single : B 108 MET CE :methyl 142:sc= -0.375 (180deg=-2.03) USER MOD Single : B 111 LYS NZ :NH3+ 179:sc= 0.92 (180deg=0.916) USER MOD Single : B 113 SER OG : rot 89:sc= 0.251 USER MOD Single : B 117 SER OG : rot 180:sc= 0 USER MOD Single : B 119 THR OG1 : rot 180:sc= 0 USER MOD Single : B 122 MET CE :methyl 180:sc= -5.92! (180deg=-5.92!) USER MOD Single : B 126 THR OG1 : rot 84:sc= 1.32 USER MOD Single : B 131 LYS NZ :NH3+ -133:sc= 1.2 (180deg=0.696) USER MOD Single : B 133 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 134 LYS NZ :NH3+ -176:sc= 0.345 (180deg=0.336) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -14.463 6.044 -6.416 1.00 4.97 N ATOM 2 CA PRO A 99 -15.033 6.694 -5.234 1.00 4.83 C ATOM 3 C PRO A 99 -14.472 6.152 -3.925 1.00 4.33 C ATOM 4 O PRO A 99 -14.513 4.946 -3.661 1.00 4.07 O ATOM 5 CB PRO A 99 -16.527 6.386 -5.345 1.00 5.14 C ATOM 6 CG PRO A 99 -16.602 5.133 -6.145 1.00 5.27 C ATOM 7 CD PRO A 99 -15.442 5.179 -7.097 1.00 5.29 C ATOM 0 HA PRO A 99 -14.800 7.758 -5.212 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -16.977 6.254 -4.361 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -17.063 7.200 -5.834 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -16.544 4.255 -5.501 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -17.547 5.071 -6.684 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -15.037 4.184 -7.282 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -15.734 5.589 -8.064 1.00 5.29 H new ATOM 15 N GLU A 100 -13.973 7.068 -3.103 1.00 4.31 N ATOM 16 CA GLU A 100 -13.365 6.733 -1.819 1.00 4.02 C ATOM 17 C GLU A 100 -14.346 6.016 -0.893 1.00 3.83 C ATOM 18 O GLU A 100 -13.948 5.222 -0.041 1.00 3.64 O ATOM 19 CB GLU A 100 -12.795 7.972 -1.128 1.00 4.28 C ATOM 20 CG GLU A 100 -13.401 9.287 -1.573 1.00 4.51 C ATOM 21 CD GLU A 100 -14.854 9.457 -1.175 1.00 4.77 C ATOM 22 OE1 GLU A 100 -15.115 10.047 -0.106 1.00 4.99 O ATOM 23 OE2 GLU A 100 -15.742 9.011 -1.936 1.00 5.13 O ATOM 0 H GLU A 100 -13.978 8.067 -3.308 1.00 4.31 H new ATOM 0 HA GLU A 100 -12.543 6.049 -2.033 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -12.938 7.868 -0.052 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -11.720 8.006 -1.304 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -12.820 10.106 -1.149 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -13.319 9.366 -2.657 1.00 4.51 H new ATOM 30 N ASN A 101 -15.626 6.306 -1.075 1.00 4.05 N ATOM 31 CA ASN A 101 -16.664 5.683 -0.260 1.00 4.10 C ATOM 32 C ASN A 101 -16.680 4.164 -0.430 1.00 3.98 C ATOM 33 O ASN A 101 -16.975 3.433 0.514 1.00 4.07 O ATOM 34 CB ASN A 101 -18.035 6.263 -0.592 1.00 4.55 C ATOM 35 CG ASN A 101 -19.089 5.888 0.439 1.00 4.76 C ATOM 36 OD1 ASN A 101 -20.260 5.715 0.110 1.00 5.19 O ATOM 37 ND2 ASN A 101 -18.686 5.783 1.698 1.00 4.68 N ATOM 0 H ASN A 101 -15.971 6.964 -1.774 1.00 4.05 H new ATOM 0 HA ASN A 101 -16.431 5.902 0.782 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -17.962 7.349 -0.654 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.349 5.908 -1.574 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -19.357 5.552 2.431 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -17.705 5.934 1.934 1.00 4.68 H new ATOM 44 N LYS A 102 -16.354 3.687 -1.622 1.00 3.93 N ATOM 45 CA LYS A 102 -16.290 2.256 -1.877 1.00 3.87 C ATOM 46 C LYS A 102 -14.853 1.757 -1.826 1.00 3.43 C ATOM 47 O LYS A 102 -14.593 0.585 -1.575 1.00 3.32 O ATOM 48 CB LYS A 102 -16.909 1.951 -3.233 1.00 4.20 C ATOM 49 CG LYS A 102 -18.412 2.142 -3.250 1.00 4.62 C ATOM 50 CD LYS A 102 -19.013 1.736 -4.580 1.00 5.18 C ATOM 51 CE LYS A 102 -20.528 1.745 -4.518 1.00 5.68 C ATOM 52 NZ LYS A 102 -21.075 3.112 -4.303 1.00 6.27 N ATOM 0 H LYS A 102 -16.130 4.270 -2.428 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.852 1.738 -1.100 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -16.457 2.596 -3.987 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -16.675 0.923 -3.511 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -18.863 1.552 -2.452 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.648 3.187 -3.047 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -18.673 2.418 -5.360 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -18.663 0.740 -4.853 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -20.930 1.337 -5.445 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -20.861 1.092 -3.711 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -22.114 3.076 -4.318 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -20.754 3.473 -3.382 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -20.739 3.743 -5.058 1.00 6.27 H new ATOM 66 N TYR A 103 -13.929 2.663 -2.073 1.00 3.24 N ATOM 67 CA TYR A 103 -12.503 2.390 -2.015 1.00 2.85 C ATOM 68 C TYR A 103 -12.062 1.986 -0.602 1.00 2.57 C ATOM 69 O TYR A 103 -11.130 1.199 -0.440 1.00 2.28 O ATOM 70 CB TYR A 103 -11.785 3.657 -2.474 1.00 2.82 C ATOM 71 CG TYR A 103 -10.284 3.674 -2.324 1.00 2.56 C ATOM 72 CD1 TYR A 103 -9.686 4.531 -1.414 1.00 2.69 C ATOM 73 CD2 TYR A 103 -9.468 2.868 -3.100 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.317 4.592 -1.277 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.092 2.914 -2.968 1.00 2.65 C ATOM 76 CZ TYR A 103 -7.522 3.778 -2.058 1.00 2.31 C ATOM 77 OH TYR A 103 -6.152 3.830 -1.934 1.00 2.31 O ATOM 0 H TYR A 103 -14.149 3.627 -2.324 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.254 1.549 -2.662 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.024 3.823 -3.524 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.193 4.501 -1.917 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.307 5.165 -0.799 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -9.912 2.194 -3.818 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -7.870 5.270 -0.565 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -7.467 2.276 -3.575 1.00 2.65 H new ATOM 0 HH TYR A 103 -5.743 3.192 -2.555 1.00 2.31 H new ATOM 87 N LEU A 104 -12.743 2.513 0.413 1.00 2.70 N ATOM 88 CA LEU A 104 -12.385 2.262 1.806 1.00 2.55 C ATOM 89 C LEU A 104 -12.583 0.788 2.200 1.00 2.53 C ATOM 90 O LEU A 104 -11.646 0.156 2.693 1.00 2.25 O ATOM 91 CB LEU A 104 -13.186 3.185 2.736 1.00 2.85 C ATOM 92 CG LEU A 104 -12.949 2.975 4.231 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.481 3.173 4.574 1.00 2.46 C ATOM 94 CD2 LEU A 104 -13.819 3.919 5.043 1.00 3.18 C ATOM 0 H LEU A 104 -13.553 3.122 0.294 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.323 2.482 1.916 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -12.945 4.219 2.489 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.248 3.047 2.531 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.223 1.950 4.482 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.333 3.019 5.643 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -10.877 2.456 4.017 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.179 4.186 4.308 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.638 3.757 6.106 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.575 4.950 4.787 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -14.869 3.729 4.820 1.00 3.18 H new ATOM 106 N PRO A 105 -13.790 0.206 2.006 1.00 2.88 N ATOM 107 CA PRO A 105 -14.034 -1.203 2.343 1.00 2.95 C ATOM 108 C PRO A 105 -13.144 -2.138 1.532 1.00 2.65 C ATOM 109 O PRO A 105 -12.790 -3.227 1.981 1.00 2.62 O ATOM 110 CB PRO A 105 -15.513 -1.414 2.002 1.00 3.43 C ATOM 111 CG PRO A 105 -15.819 -0.336 1.029 1.00 3.51 C ATOM 112 CD PRO A 105 -15.007 0.842 1.478 1.00 3.28 C ATOM 0 HA PRO A 105 -13.806 -1.424 3.386 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.686 -2.400 1.571 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.141 -1.339 2.890 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.553 -0.634 0.015 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.883 -0.101 1.023 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.786 1.520 0.654 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.524 1.425 2.240 1.00 3.28 H new ATOM 120 N GLU A 106 -12.782 -1.702 0.338 1.00 2.53 N ATOM 121 CA GLU A 106 -11.823 -2.430 -0.473 1.00 2.35 C ATOM 122 C GLU A 106 -10.479 -2.522 0.249 1.00 1.89 C ATOM 123 O GLU A 106 -9.865 -3.585 0.318 1.00 1.84 O ATOM 124 CB GLU A 106 -11.629 -1.704 -1.801 1.00 2.43 C ATOM 125 CG GLU A 106 -12.828 -1.773 -2.729 1.00 2.88 C ATOM 126 CD GLU A 106 -12.575 -2.664 -3.925 1.00 3.32 C ATOM 127 OE1 GLU A 106 -11.855 -2.225 -4.850 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.090 -3.802 -3.948 1.00 3.70 O ATOM 0 H GLU A 106 -13.138 -0.848 -0.091 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.203 -3.436 -0.649 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.399 -0.658 -1.600 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.764 -2.128 -2.311 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.691 -2.145 -2.177 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.078 -0.769 -3.072 1.00 2.88 H new ATOM 135 N LEU A 107 -10.046 -1.390 0.797 1.00 1.63 N ATOM 136 CA LEU A 107 -8.775 -1.308 1.510 1.00 1.23 C ATOM 137 C LEU A 107 -8.770 -2.216 2.731 1.00 1.08 C ATOM 138 O LEU A 107 -7.817 -2.946 2.957 1.00 0.96 O ATOM 139 CB LEU A 107 -8.515 0.122 1.968 1.00 1.21 C ATOM 140 CG LEU A 107 -8.349 1.151 0.862 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.388 2.547 1.452 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.045 0.923 0.121 1.00 1.20 C ATOM 0 H LEU A 107 -10.561 -0.511 0.760 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.994 -1.628 0.821 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.340 0.434 2.608 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.615 0.129 2.583 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.169 1.045 0.151 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.269 3.282 0.656 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.344 2.705 1.951 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.579 2.660 2.174 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -6.940 1.668 -0.668 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.211 1.012 0.817 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.046 -0.074 -0.319 1.00 1.20 H new ATOM 154 N MET A 108 -9.849 -2.172 3.501 1.00 1.27 N ATOM 155 CA MET A 108 -9.946 -2.973 4.720 1.00 1.26 C ATOM 156 C MET A 108 -9.956 -4.464 4.402 1.00 1.17 C ATOM 157 O MET A 108 -9.395 -5.263 5.148 1.00 1.13 O ATOM 158 CB MET A 108 -11.183 -2.582 5.546 1.00 1.64 C ATOM 159 CG MET A 108 -12.519 -2.836 4.877 1.00 1.96 C ATOM 160 SD MET A 108 -13.910 -2.231 5.856 1.00 2.39 S ATOM 161 CE MET A 108 -13.512 -0.487 5.982 1.00 2.67 C ATOM 0 H MET A 108 -10.667 -1.594 3.307 1.00 1.27 H new ATOM 0 HA MET A 108 -9.061 -2.764 5.321 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.158 -3.130 6.488 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.115 -1.522 5.792 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.530 -2.353 3.900 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.638 -3.906 4.705 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.425 0.102 5.895 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.043 -0.289 6.946 1.00 2.67 H new ATOM 0 HE3 MET A 108 -12.825 -0.212 5.182 1.00 2.67 H new ATOM 171 N ALA A 109 -10.570 -4.840 3.285 1.00 1.27 N ATOM 172 CA ALA A 109 -10.614 -6.242 2.893 1.00 1.30 C ATOM 173 C ALA A 109 -9.228 -6.737 2.476 1.00 0.99 C ATOM 174 O ALA A 109 -8.782 -7.797 2.913 1.00 1.01 O ATOM 175 CB ALA A 109 -11.635 -6.457 1.783 1.00 1.60 C ATOM 0 H ALA A 109 -11.039 -4.201 2.643 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.928 -6.829 3.756 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.653 -7.511 1.504 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.623 -6.158 2.134 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.361 -5.857 0.915 1.00 1.60 H new ATOM 181 N GLU A 110 -8.548 -5.955 1.650 1.00 0.80 N ATOM 182 CA GLU A 110 -7.185 -6.297 1.247 1.00 0.62 C ATOM 183 C GLU A 110 -6.267 -6.247 2.468 1.00 0.45 C ATOM 184 O GLU A 110 -5.389 -7.081 2.649 1.00 0.55 O ATOM 185 CB GLU A 110 -6.683 -5.335 0.170 1.00 0.56 C ATOM 186 CG GLU A 110 -7.427 -5.443 -1.152 1.00 0.60 C ATOM 187 CD GLU A 110 -6.844 -4.534 -2.212 1.00 0.83 C ATOM 188 OE1 GLU A 110 -5.645 -4.213 -2.123 1.00 1.49 O ATOM 189 OE2 GLU A 110 -7.575 -4.136 -3.143 1.00 1.48 O ATOM 0 H GLU A 110 -8.909 -5.090 1.248 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.181 -7.304 0.831 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.769 -4.314 0.541 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.624 -5.522 -0.005 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.394 -6.475 -1.502 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.476 -5.192 -0.998 1.00 0.60 H new ATOM 196 N LYS A 111 -6.531 -5.253 3.296 1.00 0.41 N ATOM 197 CA LYS A 111 -5.772 -5.092 4.538 1.00 0.46 C ATOM 198 C LYS A 111 -5.837 -6.353 5.401 1.00 0.47 C ATOM 199 O LYS A 111 -4.810 -6.900 5.803 1.00 0.52 O ATOM 200 CB LYS A 111 -6.290 -3.892 5.332 1.00 0.63 C ATOM 201 CG LYS A 111 -6.011 -3.969 6.824 1.00 0.79 C ATOM 202 CD LYS A 111 -6.421 -2.689 7.522 1.00 0.89 C ATOM 203 CE LYS A 111 -6.346 -2.818 9.033 1.00 1.15 C ATOM 204 NZ LYS A 111 -7.342 -3.786 9.568 1.00 1.89 N ATOM 0 H LYS A 111 -7.254 -4.550 3.141 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.731 -4.919 4.266 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.837 -2.984 4.935 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.366 -3.805 5.178 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -6.552 -4.811 7.255 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.950 -4.153 6.990 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.775 -1.874 7.195 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.438 -2.426 7.230 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -5.344 -3.136 9.319 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.512 -1.841 9.487 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -7.264 -3.827 10.604 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -8.300 -3.479 9.305 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -7.159 -4.729 9.169 1.00 1.89 H new ATOM 218 N ASP A 112 -7.043 -6.820 5.662 1.00 0.49 N ATOM 219 CA ASP A 112 -7.244 -7.932 6.587 1.00 0.58 C ATOM 220 C ASP A 112 -6.895 -9.276 5.953 1.00 0.53 C ATOM 221 O ASP A 112 -6.804 -10.288 6.648 1.00 0.63 O ATOM 222 CB ASP A 112 -8.682 -7.948 7.102 1.00 0.72 C ATOM 223 CG ASP A 112 -8.967 -6.830 8.084 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.004 -6.218 8.597 1.00 3.03 O ATOM 225 OD2 ASP A 112 -10.158 -6.568 8.364 1.00 3.08 O ATOM 0 H ASP A 112 -7.900 -6.451 5.250 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.566 -7.779 7.426 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.366 -7.867 6.258 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.880 -8.906 7.582 1.00 0.72 H new ATOM 230 N SER A 113 -6.709 -9.289 4.641 1.00 0.44 N ATOM 231 CA SER A 113 -6.339 -10.513 3.939 1.00 0.43 C ATOM 232 C SER A 113 -4.862 -10.522 3.545 1.00 0.35 C ATOM 233 O SER A 113 -4.327 -11.554 3.135 1.00 0.40 O ATOM 234 CB SER A 113 -7.204 -10.677 2.693 1.00 0.44 C ATOM 235 OG SER A 113 -8.570 -10.829 3.038 1.00 0.55 O ATOM 0 H SER A 113 -6.807 -8.470 4.041 1.00 0.44 H new ATOM 0 HA SER A 113 -6.506 -11.347 4.621 1.00 0.43 H new ATOM 0 HB2 SER A 113 -7.083 -9.808 2.046 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.870 -11.546 2.126 1.00 0.44 H new ATOM 0 HG SER A 113 -8.994 -9.947 3.093 1.00 0.55 H new ATOM 241 N LEU A 114 -4.208 -9.378 3.662 1.00 0.27 N ATOM 242 CA LEU A 114 -2.828 -9.243 3.219 1.00 0.23 C ATOM 243 C LEU A 114 -1.881 -9.862 4.240 1.00 0.27 C ATOM 244 O LEU A 114 -2.123 -9.802 5.448 1.00 0.31 O ATOM 245 CB LEU A 114 -2.484 -7.769 3.007 1.00 0.17 C ATOM 246 CG LEU A 114 -1.279 -7.496 2.099 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.650 -7.692 0.637 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.755 -6.094 2.322 1.00 0.16 C ATOM 0 H LEU A 114 -4.609 -8.529 4.060 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.713 -9.770 2.272 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.355 -7.268 2.586 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.294 -7.315 3.979 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.494 -8.208 2.354 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.780 -7.493 0.011 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.983 -8.718 0.480 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.454 -7.005 0.370 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.100 -5.917 1.670 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.540 -5.372 2.096 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.447 -5.982 3.362 1.00 0.16 H new ATOM 260 N ASP A 115 -0.817 -10.471 3.742 1.00 0.29 N ATOM 261 CA ASP A 115 0.162 -11.134 4.590 1.00 0.34 C ATOM 262 C ASP A 115 0.990 -10.101 5.354 1.00 0.33 C ATOM 263 O ASP A 115 1.506 -9.149 4.764 1.00 0.29 O ATOM 264 CB ASP A 115 1.072 -12.018 3.737 1.00 0.37 C ATOM 265 CG ASP A 115 1.918 -12.956 4.568 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.584 -14.157 4.633 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.916 -12.503 5.158 1.00 1.21 O ATOM 0 H ASP A 115 -0.608 -10.520 2.745 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.362 -11.759 5.314 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.462 -12.600 3.046 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.723 -11.386 3.133 1.00 0.37 H new ATOM 272 N PRO A 116 1.127 -10.283 6.679 1.00 0.41 N ATOM 273 CA PRO A 116 1.823 -9.331 7.560 1.00 0.46 C ATOM 274 C PRO A 116 3.316 -9.205 7.252 1.00 0.42 C ATOM 275 O PRO A 116 3.969 -8.262 7.705 1.00 0.47 O ATOM 276 CB PRO A 116 1.615 -9.915 8.960 1.00 0.55 C ATOM 277 CG PRO A 116 1.370 -11.361 8.728 1.00 0.55 C ATOM 278 CD PRO A 116 0.608 -11.435 7.436 1.00 0.50 C ATOM 0 HA PRO A 116 1.431 -8.321 7.438 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.490 -9.757 9.590 1.00 0.55 H new ATOM 0 HB3 PRO A 116 0.770 -9.445 9.464 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.308 -11.913 8.663 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.799 -11.799 9.547 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.788 -12.375 6.914 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.468 -11.361 7.597 1.00 0.50 H new ATOM 286 N SER A 117 3.856 -10.166 6.508 1.00 0.36 N ATOM 287 CA SER A 117 5.258 -10.120 6.115 1.00 0.37 C ATOM 288 C SER A 117 5.524 -8.916 5.211 1.00 0.38 C ATOM 289 O SER A 117 6.662 -8.460 5.083 1.00 0.56 O ATOM 290 CB SER A 117 5.667 -11.415 5.406 1.00 0.37 C ATOM 291 OG SER A 117 7.061 -11.439 5.144 1.00 1.30 O ATOM 0 H SER A 117 3.346 -10.981 6.167 1.00 0.36 H new ATOM 0 HA SER A 117 5.859 -10.017 7.019 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.396 -12.272 6.023 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.117 -11.509 4.470 1.00 0.37 H new ATOM 0 HG SER A 117 7.295 -12.277 4.693 1.00 1.30 H new ATOM 297 N PHE A 118 4.473 -8.394 4.594 1.00 0.28 N ATOM 298 CA PHE A 118 4.601 -7.202 3.773 1.00 0.32 C ATOM 299 C PHE A 118 4.297 -5.982 4.624 1.00 0.44 C ATOM 300 O PHE A 118 3.179 -5.470 4.622 1.00 0.94 O ATOM 301 CB PHE A 118 3.662 -7.261 2.573 1.00 0.27 C ATOM 302 CG PHE A 118 3.839 -8.495 1.741 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.621 -8.469 0.602 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.219 -9.678 2.098 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.782 -9.603 -0.165 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.377 -10.816 1.337 1.00 1.23 C ATOM 307 CZ PHE A 118 4.159 -10.780 0.202 1.00 0.28 C ATOM 0 H PHE A 118 3.529 -8.776 4.647 1.00 0.28 H new ATOM 0 HA PHE A 118 5.620 -7.139 3.391 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.631 -7.213 2.924 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.827 -6.383 1.948 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.111 -7.552 0.310 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.603 -9.711 2.985 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.396 -9.571 -1.053 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.889 -11.734 1.629 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.284 -11.669 -0.398 1.00 0.28 H new ATOM 317 N THR A 119 5.302 -5.531 5.351 1.00 0.39 N ATOM 318 CA THR A 119 5.137 -4.456 6.308 1.00 0.39 C ATOM 319 C THR A 119 4.658 -3.170 5.645 1.00 0.42 C ATOM 320 O THR A 119 3.678 -2.567 6.079 1.00 0.45 O ATOM 321 CB THR A 119 6.456 -4.184 7.045 1.00 0.44 C ATOM 322 OG1 THR A 119 6.884 -5.374 7.726 1.00 0.48 O ATOM 323 CG2 THR A 119 6.294 -3.038 8.034 1.00 0.45 C ATOM 0 H THR A 119 6.252 -5.899 5.294 1.00 0.39 H new ATOM 0 HA THR A 119 4.376 -4.778 7.019 1.00 0.39 H new ATOM 0 HB THR A 119 7.213 -3.897 6.315 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.727 -5.198 8.194 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.240 -2.862 8.545 1.00 0.45 H new ATOM 0 HG22 THR A 119 5.997 -2.136 7.500 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.528 -3.295 8.766 1.00 0.45 H new ATOM 331 N HIS A 120 5.347 -2.757 4.599 1.00 0.44 N ATOM 332 CA HIS A 120 5.051 -1.493 3.948 1.00 0.51 C ATOM 333 C HIS A 120 3.720 -1.554 3.213 1.00 0.47 C ATOM 334 O HIS A 120 2.938 -0.609 3.263 1.00 0.57 O ATOM 335 CB HIS A 120 6.185 -1.109 3.008 1.00 0.60 C ATOM 336 CG HIS A 120 7.487 -0.922 3.721 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.660 -0.030 4.760 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.669 -1.554 3.571 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.896 -0.129 5.218 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.530 -1.047 4.515 1.00 1.47 N ATOM 0 H HIS A 120 6.117 -3.278 4.180 1.00 0.44 H new ATOM 0 HA HIS A 120 4.964 -0.721 4.713 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.299 -1.882 2.248 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.924 -0.187 2.488 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.897 -2.318 2.843 1.00 1.19 H new ATOM 0 HE1 HIS A 120 9.316 0.445 6.031 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.500 -1.334 4.650 1.00 1.47 H new ATOM 349 N ALA A 121 3.463 -2.672 2.548 1.00 0.37 N ATOM 350 CA ALA A 121 2.182 -2.896 1.885 1.00 0.34 C ATOM 351 C ALA A 121 1.042 -2.823 2.887 1.00 0.38 C ATOM 352 O ALA A 121 -0.010 -2.241 2.623 1.00 0.47 O ATOM 353 CB ALA A 121 2.184 -4.242 1.183 1.00 0.27 C ATOM 0 H ALA A 121 4.126 -3.441 2.452 1.00 0.37 H new ATOM 0 HA ALA A 121 2.035 -2.113 1.141 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.223 -4.398 0.692 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.980 -4.263 0.438 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.351 -5.033 1.914 1.00 0.27 H new ATOM 359 N MET A 122 1.283 -3.398 4.051 1.00 0.35 N ATOM 360 CA MET A 122 0.319 -3.382 5.137 1.00 0.34 C ATOM 361 C MET A 122 0.185 -1.983 5.724 1.00 0.39 C ATOM 362 O MET A 122 -0.911 -1.542 6.073 1.00 0.41 O ATOM 363 CB MET A 122 0.741 -4.377 6.216 1.00 0.37 C ATOM 364 CG MET A 122 0.381 -5.819 5.904 1.00 0.38 C ATOM 365 SD MET A 122 -1.262 -6.285 6.497 1.00 0.49 S ATOM 366 CE MET A 122 -2.311 -5.133 5.615 1.00 0.63 C ATOM 0 H MET A 122 2.150 -3.888 4.270 1.00 0.35 H new ATOM 0 HA MET A 122 -0.655 -3.675 4.744 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.819 -4.306 6.359 1.00 0.37 H new ATOM 0 HB3 MET A 122 0.275 -4.093 7.159 1.00 0.37 H new ATOM 0 HG2 MET A 122 0.429 -5.974 4.826 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.123 -6.478 6.354 1.00 0.38 H new ATOM 0 HE1 MET A 122 -3.346 -5.272 5.926 1.00 0.63 H new ATOM 0 HE2 MET A 122 -1.999 -4.113 5.838 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.227 -5.312 4.543 1.00 0.63 H new ATOM 376 N GLN A 123 1.307 -1.287 5.813 1.00 0.44 N ATOM 377 CA GLN A 123 1.330 0.067 6.349 1.00 0.53 C ATOM 378 C GLN A 123 0.628 1.044 5.410 1.00 0.54 C ATOM 379 O GLN A 123 -0.142 1.895 5.860 1.00 0.62 O ATOM 380 CB GLN A 123 2.775 0.493 6.646 1.00 0.65 C ATOM 381 CG GLN A 123 3.051 1.978 6.460 1.00 0.83 C ATOM 382 CD GLN A 123 4.517 2.322 6.637 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.307 2.239 5.693 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.885 2.744 7.834 1.00 1.76 N ATOM 0 H GLN A 123 2.219 -1.638 5.520 1.00 0.44 H new ATOM 0 HA GLN A 123 0.777 0.081 7.288 1.00 0.53 H new ATOM 0 HB2 GLN A 123 3.017 0.218 7.673 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.446 -0.071 5.999 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.727 2.283 5.465 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.458 2.547 7.176 1.00 0.83 H new ATOM 0 HE21 GLN A 123 4.201 2.798 8.588 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.853 3.016 8.004 1.00 1.76 H new ATOM 393 N LEU A 124 0.868 0.915 4.115 1.00 0.49 N ATOM 394 CA LEU A 124 0.252 1.812 3.148 1.00 0.50 C ATOM 395 C LEU A 124 -1.261 1.606 3.113 1.00 0.45 C ATOM 396 O LEU A 124 -2.022 2.562 2.960 1.00 0.52 O ATOM 397 CB LEU A 124 0.886 1.643 1.767 1.00 0.50 C ATOM 398 CG LEU A 124 2.376 1.983 1.710 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.004 1.441 0.436 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.581 3.488 1.808 1.00 0.83 C ATOM 0 H LEU A 124 1.479 0.205 3.711 1.00 0.49 H new ATOM 0 HA LEU A 124 0.434 2.840 3.461 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.748 0.612 1.441 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.354 2.276 1.056 1.00 0.50 H new ATOM 0 HG LEU A 124 2.868 1.510 2.560 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.064 1.694 0.416 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.889 0.357 0.406 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.510 1.882 -0.430 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.647 3.714 1.766 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.073 3.979 0.978 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.170 3.851 2.750 1.00 0.83 H new ATOM 412 N LEU A 125 -1.688 0.356 3.286 1.00 0.37 N ATOM 413 CA LEU A 125 -3.115 0.042 3.373 1.00 0.35 C ATOM 414 C LEU A 125 -3.691 0.658 4.637 1.00 0.46 C ATOM 415 O LEU A 125 -4.795 1.196 4.635 1.00 0.52 O ATOM 416 CB LEU A 125 -3.348 -1.471 3.409 1.00 0.28 C ATOM 417 CG LEU A 125 -3.329 -2.193 2.066 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.278 -3.691 2.294 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.559 -1.841 1.244 1.00 0.33 C ATOM 0 H LEU A 125 -1.071 -0.452 3.368 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.607 0.450 2.490 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.587 -1.919 4.048 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.312 -1.657 3.883 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.444 -1.875 1.515 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.265 -4.205 1.333 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.377 -3.943 2.853 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.156 -4.003 2.860 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.523 -2.368 0.291 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.457 -2.136 1.788 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.581 -0.766 1.064 1.00 0.33 H new ATOM 431 N THR A 126 -2.913 0.599 5.707 1.00 0.55 N ATOM 432 CA THR A 126 -3.364 1.096 6.994 1.00 0.74 C ATOM 433 C THR A 126 -3.556 2.609 6.948 1.00 0.92 C ATOM 434 O THR A 126 -4.588 3.134 7.371 1.00 1.07 O ATOM 435 CB THR A 126 -2.352 0.744 8.106 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.232 -0.681 8.228 1.00 0.86 O ATOM 437 CG2 THR A 126 -2.770 1.338 9.443 1.00 0.91 C ATOM 0 H THR A 126 -1.969 0.213 5.708 1.00 0.55 H new ATOM 0 HA THR A 126 -4.318 0.618 7.217 1.00 0.74 H new ATOM 0 HB THR A 126 -1.388 1.171 7.829 1.00 0.81 H new ATOM 0 HG1 THR A 126 -1.632 -1.020 7.531 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.037 1.072 10.204 1.00 0.91 H new ATOM 0 HG22 THR A 126 -2.827 2.423 9.357 1.00 0.91 H new ATOM 0 HG23 THR A 126 -3.746 0.945 9.726 1.00 0.91 H new ATOM 445 N ALA A 127 -2.557 3.293 6.401 1.00 0.96 N ATOM 446 CA ALA A 127 -2.561 4.747 6.338 1.00 1.09 C ATOM 447 C ALA A 127 -3.720 5.277 5.495 1.00 1.18 C ATOM 448 O ALA A 127 -4.400 6.225 5.886 1.00 1.38 O ATOM 449 CB ALA A 127 -1.235 5.242 5.787 1.00 1.18 C ATOM 0 H ALA A 127 -1.729 2.859 5.993 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.697 5.126 7.351 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.243 6.331 5.742 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.425 4.912 6.437 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.084 4.839 4.786 1.00 1.18 H new ATOM 455 N GLU A 128 -3.937 4.664 4.335 1.00 1.13 N ATOM 456 CA GLU A 128 -5.005 5.092 3.438 1.00 1.31 C ATOM 457 C GLU A 128 -6.369 4.904 4.094 1.00 1.38 C ATOM 458 O GLU A 128 -7.258 5.744 3.955 1.00 1.61 O ATOM 459 CB GLU A 128 -4.946 4.316 2.126 1.00 1.35 C ATOM 460 CG GLU A 128 -5.876 4.858 1.055 1.00 1.47 C ATOM 461 CD GLU A 128 -5.531 6.272 0.626 1.00 1.46 C ATOM 462 OE1 GLU A 128 -4.477 6.460 -0.011 1.00 2.02 O ATOM 463 OE2 GLU A 128 -6.322 7.198 0.901 1.00 1.95 O ATOM 0 H GLU A 128 -3.390 3.873 3.995 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.863 6.152 3.226 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.923 4.333 1.749 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.197 3.273 2.319 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.840 4.202 0.185 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.900 4.838 1.427 1.00 1.47 H new ATOM 470 N ILE A 129 -6.514 3.815 4.837 1.00 1.24 N ATOM 471 CA ILE A 129 -7.748 3.561 5.561 1.00 1.42 C ATOM 472 C ILE A 129 -7.951 4.614 6.639 1.00 1.64 C ATOM 473 O ILE A 129 -9.054 5.134 6.814 1.00 1.92 O ATOM 474 CB ILE A 129 -7.764 2.154 6.187 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.791 1.112 5.077 1.00 1.14 C ATOM 476 CG2 ILE A 129 -8.960 1.980 7.118 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.612 -0.302 5.567 1.00 1.01 C ATOM 0 H ILE A 129 -5.797 3.099 4.953 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.567 3.615 4.844 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.862 2.023 6.785 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.740 1.185 4.545 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.004 1.340 4.358 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -8.945 0.977 7.545 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.908 2.717 7.919 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.883 2.121 6.555 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.642 -0.987 4.720 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.651 -0.393 6.073 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.413 -0.550 6.263 1.00 1.01 H new ATOM 489 N GLU A 130 -6.867 4.945 7.335 1.00 1.56 N ATOM 490 CA GLU A 130 -6.889 6.012 8.321 1.00 1.76 C ATOM 491 C GLU A 130 -7.335 7.305 7.672 1.00 1.94 C ATOM 492 O GLU A 130 -8.154 8.031 8.213 1.00 2.19 O ATOM 493 CB GLU A 130 -5.503 6.227 8.925 1.00 1.67 C ATOM 494 CG GLU A 130 -5.079 5.158 9.909 1.00 1.60 C ATOM 495 CD GLU A 130 -3.754 5.490 10.552 1.00 1.81 C ATOM 496 OE1 GLU A 130 -2.853 4.631 10.548 1.00 2.25 O ATOM 497 OE2 GLU A 130 -3.606 6.625 11.060 1.00 2.15 O ATOM 0 H GLU A 130 -5.962 4.486 7.231 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.585 5.724 9.109 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.771 6.273 8.118 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.485 7.194 9.427 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.841 5.049 10.680 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -5.005 4.199 9.396 1.00 1.60 H new ATOM 504 N LYS A 131 -6.819 7.549 6.478 1.00 1.85 N ATOM 505 CA LYS A 131 -7.034 8.796 5.764 1.00 2.07 C ATOM 506 C LYS A 131 -8.501 8.999 5.417 1.00 2.28 C ATOM 507 O LYS A 131 -9.045 10.087 5.605 1.00 2.54 O ATOM 508 CB LYS A 131 -6.167 8.792 4.502 1.00 2.03 C ATOM 509 CG LYS A 131 -6.446 9.916 3.523 1.00 2.33 C ATOM 510 CD LYS A 131 -5.389 9.944 2.432 1.00 2.59 C ATOM 511 CE LYS A 131 -5.902 10.590 1.159 1.00 3.17 C ATOM 512 NZ LYS A 131 -6.957 9.768 0.511 1.00 3.73 N ATOM 0 H LYS A 131 -6.235 6.882 5.974 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.748 9.629 6.406 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -5.120 8.843 4.800 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.306 7.841 3.988 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -7.432 9.783 3.079 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -6.459 10.870 4.050 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -4.515 10.489 2.788 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -5.064 8.926 2.216 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -6.300 11.579 1.388 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -5.074 10.733 0.464 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -6.775 9.712 -0.511 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -6.949 8.811 0.917 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -7.886 10.205 0.673 1.00 3.73 H new ATOM 526 N ILE A 132 -9.147 7.950 4.931 1.00 2.21 N ATOM 527 CA ILE A 132 -10.557 8.033 4.587 1.00 2.47 C ATOM 528 C ILE A 132 -11.422 8.100 5.841 1.00 2.68 C ATOM 529 O ILE A 132 -12.394 8.852 5.897 1.00 2.98 O ATOM 530 CB ILE A 132 -10.992 6.830 3.735 1.00 2.40 C ATOM 531 CG1 ILE A 132 -9.954 6.569 2.645 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.367 7.076 3.122 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.367 5.502 1.660 1.00 2.19 C ATOM 0 H ILE A 132 -8.721 7.038 4.767 1.00 2.21 H new ATOM 0 HA ILE A 132 -10.694 8.946 4.008 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.062 5.950 4.374 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -9.765 7.497 2.105 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.014 6.276 3.113 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.658 6.213 2.522 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.098 7.229 3.916 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.330 7.962 2.488 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.582 5.371 0.915 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.527 4.562 2.188 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.290 5.802 1.164 1.00 2.19 H new ATOM 545 N GLN A 133 -11.053 7.323 6.851 1.00 2.56 N ATOM 546 CA GLN A 133 -11.833 7.251 8.082 1.00 2.81 C ATOM 547 C GLN A 133 -11.672 8.505 8.943 1.00 2.98 C ATOM 548 O GLN A 133 -12.618 8.926 9.608 1.00 3.27 O ATOM 549 CB GLN A 133 -11.452 6.006 8.888 1.00 2.72 C ATOM 550 CG GLN A 133 -11.925 4.707 8.256 1.00 2.73 C ATOM 551 CD GLN A 133 -11.598 3.489 9.099 1.00 2.94 C ATOM 552 OE1 GLN A 133 -10.608 3.470 9.831 1.00 3.49 O ATOM 553 NE2 GLN A 133 -12.435 2.468 9.010 1.00 2.90 N ATOM 0 H GLN A 133 -10.220 6.734 6.843 1.00 2.56 H new ATOM 0 HA GLN A 133 -12.882 7.185 7.792 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.368 5.973 9.000 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.874 6.088 9.890 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -13.003 4.756 8.099 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -11.465 4.598 7.274 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -13.244 2.524 8.391 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -12.271 1.625 9.560 1.00 2.90 H new ATOM 562 N LYS A 134 -10.487 9.109 8.926 1.00 2.82 N ATOM 563 CA LYS A 134 -10.212 10.259 9.789 1.00 3.02 C ATOM 564 C LYS A 134 -10.712 11.559 9.160 1.00 3.29 C ATOM 565 O LYS A 134 -10.756 12.601 9.819 1.00 3.54 O ATOM 566 CB LYS A 134 -8.712 10.363 10.118 1.00 2.88 C ATOM 567 CG LYS A 134 -7.837 10.886 8.989 1.00 2.85 C ATOM 568 CD LYS A 134 -6.366 10.920 9.402 1.00 2.90 C ATOM 569 CE LYS A 134 -5.888 9.557 9.893 1.00 3.30 C ATOM 570 NZ LYS A 134 -4.446 9.556 10.267 1.00 3.82 N ATOM 0 H LYS A 134 -9.708 8.827 8.332 1.00 2.82 H new ATOM 0 HA LYS A 134 -10.756 10.102 10.721 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -8.590 11.015 10.983 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.351 9.377 10.409 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -7.956 10.253 8.110 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -8.162 11.888 8.707 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -5.757 11.236 8.555 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.226 11.661 10.189 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -6.483 9.256 10.755 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -6.058 8.814 9.114 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -4.156 8.592 10.529 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -3.878 9.881 9.459 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -4.296 10.194 11.075 1.00 3.82 H new ATOM 584 N GLY A 135 -11.098 11.495 7.894 1.00 3.29 N ATOM 585 CA GLY A 135 -11.607 12.671 7.221 1.00 3.59 C ATOM 586 C GLY A 135 -12.724 12.341 6.257 1.00 4.02 C ATOM 587 O GLY A 135 -12.438 12.117 5.062 1.00 4.46 O ATOM 588 OXT GLY A 135 -13.893 12.284 6.692 1.00 4.40 O ATOM 0 H GLY A 135 -11.068 10.651 7.322 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -11.968 13.384 7.962 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -10.795 13.158 6.680 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 14.534 5.700 6.653 1.00 4.97 N ATOM 594 CA PRO B 99 15.119 6.350 5.478 1.00 4.83 C ATOM 595 C PRO B 99 14.543 5.830 4.169 1.00 4.33 C ATOM 596 O PRO B 99 14.546 4.625 3.902 1.00 4.07 O ATOM 597 CB PRO B 99 16.607 6.011 5.584 1.00 5.14 C ATOM 598 CG PRO B 99 16.657 4.752 6.375 1.00 5.27 C ATOM 599 CD PRO B 99 15.494 4.810 7.326 1.00 5.29 C ATOM 0 HA PRO B 99 14.912 7.420 5.466 1.00 4.83 H new ATOM 0 HB2 PRO B 99 17.053 5.876 4.598 1.00 5.14 H new ATOM 0 HB3 PRO B 99 17.160 6.810 6.078 1.00 5.14 H new ATOM 0 HG2 PRO B 99 16.585 3.880 5.725 1.00 5.27 H new ATOM 0 HG3 PRO B 99 17.599 4.669 6.916 1.00 5.27 H new ATOM 0 HD2 PRO B 99 15.069 3.821 7.499 1.00 5.29 H new ATOM 0 HD3 PRO B 99 15.791 5.204 8.298 1.00 5.29 H new ATOM 607 N GLU B 100 14.071 6.765 3.354 1.00 4.31 N ATOM 608 CA GLU B 100 13.453 6.453 2.070 1.00 4.02 C ATOM 609 C GLU B 100 14.418 5.726 1.134 1.00 3.83 C ATOM 610 O GLU B 100 14.004 4.941 0.281 1.00 3.64 O ATOM 611 CB GLU B 100 12.901 7.707 1.393 1.00 4.28 C ATOM 612 CG GLU B 100 13.535 9.008 1.846 1.00 4.51 C ATOM 613 CD GLU B 100 14.988 9.147 1.437 1.00 4.77 C ATOM 614 OE1 GLU B 100 15.255 9.749 0.375 1.00 4.99 O ATOM 615 OE2 GLU B 100 15.867 8.660 2.179 1.00 5.14 O ATOM 0 H GLU B 100 14.106 7.762 3.564 1.00 4.31 H new ATOM 0 HA GLU B 100 12.620 5.782 2.280 1.00 4.02 H new ATOM 0 HB2 GLU B 100 13.035 7.610 0.316 1.00 4.28 H new ATOM 0 HB3 GLU B 100 11.828 7.759 1.577 1.00 4.28 H new ATOM 0 HG2 GLU B 100 12.968 9.842 1.433 1.00 4.51 H new ATOM 0 HG3 GLU B 100 13.463 9.080 2.931 1.00 4.51 H new ATOM 622 N ASN B 101 15.706 5.991 1.316 1.00 4.05 N ATOM 623 CA ASN B 101 16.734 5.355 0.497 1.00 4.09 C ATOM 624 C ASN B 101 16.722 3.834 0.650 1.00 3.98 C ATOM 625 O ASN B 101 17.004 3.106 -0.299 1.00 4.07 O ATOM 626 CB ASN B 101 18.118 5.907 0.833 1.00 4.55 C ATOM 627 CG ASN B 101 19.157 5.529 -0.208 1.00 4.75 C ATOM 628 OD1 ASN B 101 20.329 5.340 0.109 1.00 5.19 O ATOM 629 ND2 ASN B 101 18.743 5.440 -1.464 1.00 4.68 N ATOM 0 H ASN B 101 16.064 6.638 2.019 1.00 4.05 H new ATOM 0 HA ASN B 101 16.505 5.589 -0.543 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.064 6.993 0.912 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.430 5.531 1.808 1.00 4.55 H new ATOM 0 HD21 ASN B 101 19.405 5.208 -2.204 1.00 4.68 H new ATOM 0 HD22 ASN B 101 17.762 5.603 -1.690 1.00 4.68 H new ATOM 636 N LYS B 102 16.387 3.353 1.838 1.00 3.93 N ATOM 637 CA LYS B 102 16.292 1.920 2.084 1.00 3.87 C ATOM 638 C LYS B 102 14.847 1.450 2.028 1.00 3.43 C ATOM 639 O LYS B 102 14.566 0.280 1.781 1.00 3.32 O ATOM 640 CB LYS B 102 16.902 1.596 3.439 1.00 4.20 C ATOM 641 CG LYS B 102 18.408 1.757 3.455 1.00 4.62 C ATOM 642 CD LYS B 102 19.004 1.330 4.780 1.00 5.18 C ATOM 643 CE LYS B 102 20.522 1.312 4.718 1.00 5.68 C ATOM 644 NZ LYS B 102 21.095 2.669 4.504 1.00 6.27 N ATOM 0 H LYS B 102 16.176 3.935 2.649 1.00 3.93 H new ATOM 0 HA LYS B 102 16.843 1.395 1.304 1.00 3.87 H new ATOM 0 HB2 LYS B 102 16.463 2.246 4.195 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.647 0.572 3.712 1.00 4.20 H new ATOM 0 HG2 LYS B 102 18.846 1.165 2.652 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.665 2.798 3.259 1.00 4.62 H new ATOM 0 HD2 LYS B 102 18.677 2.012 5.565 1.00 5.18 H new ATOM 0 HD3 LYS B 102 18.636 0.339 5.045 1.00 5.18 H new ATOM 0 HE2 LYS B 102 20.916 0.896 5.645 1.00 5.68 H new ATOM 0 HE3 LYS B 102 20.843 0.653 3.911 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 22.133 2.614 4.519 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 20.782 3.037 3.583 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 20.771 3.306 5.260 1.00 6.27 H new ATOM 658 N TYR B 103 13.940 2.374 2.276 1.00 3.24 N ATOM 659 CA TYR B 103 12.509 2.129 2.217 1.00 2.85 C ATOM 660 C TYR B 103 12.063 1.743 0.802 1.00 2.56 C ATOM 661 O TYR B 103 11.119 0.972 0.630 1.00 2.28 O ATOM 662 CB TYR B 103 11.811 3.405 2.687 1.00 2.82 C ATOM 663 CG TYR B 103 10.311 3.451 2.538 1.00 2.56 C ATOM 664 CD1 TYR B 103 9.730 4.326 1.636 1.00 2.69 C ATOM 665 CD2 TYR B 103 9.478 2.654 3.306 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.362 4.413 1.498 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.104 2.727 3.175 1.00 2.65 C ATOM 668 CZ TYR B 103 7.549 3.609 2.272 1.00 2.31 C ATOM 669 OH TYR B 103 6.179 3.687 2.147 1.00 2.31 O ATOM 0 H TYR B 103 14.179 3.333 2.529 1.00 3.24 H new ATOM 0 HA TYR B 103 12.244 1.289 2.859 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.053 3.558 3.739 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.233 4.246 2.137 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.363 4.954 1.027 1.00 2.69 H new ATOM 0 HD2 TYR B 103 9.909 1.965 4.018 1.00 2.76 H new ATOM 0 HE1 TYR B 103 7.929 5.104 0.790 1.00 2.58 H new ATOM 0 HE2 TYR B 103 7.468 2.096 3.777 1.00 2.65 H new ATOM 0 HH TYR B 103 5.758 3.053 2.764 1.00 2.31 H new ATOM 679 N LEU B 104 12.754 2.269 -0.209 1.00 2.70 N ATOM 680 CA LEU B 104 12.393 2.035 -1.605 1.00 2.55 C ATOM 681 C LEU B 104 12.566 0.562 -2.015 1.00 2.53 C ATOM 682 O LEU B 104 11.620 -0.050 -2.515 1.00 2.25 O ATOM 683 CB LEU B 104 13.211 2.950 -2.526 1.00 2.85 C ATOM 684 CG LEU B 104 12.970 2.758 -4.024 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.505 2.985 -4.365 1.00 2.46 C ATOM 686 CD2 LEU B 104 13.861 3.692 -4.828 1.00 3.18 C ATOM 0 H LEU B 104 13.573 2.864 -0.084 1.00 2.70 H new ATOM 0 HA LEU B 104 11.335 2.273 -1.711 1.00 2.55 H new ATOM 0 HB2 LEU B 104 12.990 3.986 -2.270 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.270 2.790 -2.322 1.00 2.85 H new ATOM 0 HG LEU B 104 13.224 1.731 -4.286 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.354 2.844 -5.435 1.00 2.46 H new ATOM 0 HD12 LEU B 104 10.889 2.274 -3.815 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.220 4.001 -4.090 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.678 3.543 -5.892 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.638 4.725 -4.562 1.00 3.18 H new ATOM 0 HD23 LEU B 104 14.907 3.478 -4.607 1.00 3.18 H new ATOM 698 N PRO B 105 13.761 -0.045 -1.824 1.00 2.88 N ATOM 699 CA PRO B 105 13.977 -1.458 -2.173 1.00 2.95 C ATOM 700 C PRO B 105 13.069 -2.385 -1.370 1.00 2.65 C ATOM 701 O PRO B 105 12.706 -3.472 -1.824 1.00 2.62 O ATOM 702 CB PRO B 105 15.448 -1.701 -1.831 1.00 3.43 C ATOM 703 CG PRO B 105 15.778 -0.632 -0.850 1.00 3.51 C ATOM 704 CD PRO B 105 14.991 0.565 -1.290 1.00 3.28 C ATOM 0 HA PRO B 105 13.744 -1.663 -3.218 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.599 -2.693 -1.405 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.079 -1.636 -2.718 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.507 -0.930 0.163 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.847 -0.420 -0.844 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.782 1.241 -0.461 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.520 1.143 -2.048 1.00 3.28 H new ATOM 712 N GLU B 106 12.711 -1.952 -0.173 1.00 2.53 N ATOM 713 CA GLU B 106 11.738 -2.665 0.632 1.00 2.35 C ATOM 714 C GLU B 106 10.395 -2.723 -0.091 1.00 1.89 C ATOM 715 O GLU B 106 9.759 -3.774 -0.171 1.00 1.84 O ATOM 716 CB GLU B 106 11.558 -1.944 1.962 1.00 2.43 C ATOM 717 CG GLU B 106 12.754 -2.042 2.888 1.00 2.88 C ATOM 718 CD GLU B 106 12.489 -2.951 4.065 1.00 3.33 C ATOM 719 OE1 GLU B 106 11.737 -2.537 4.975 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.018 -4.083 4.082 1.00 3.71 O ATOM 0 H GLU B 106 13.082 -1.107 0.262 1.00 2.53 H new ATOM 0 HA GLU B 106 12.096 -3.680 0.803 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.349 -0.892 1.767 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.685 -2.354 2.470 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.614 -2.413 2.330 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.014 -1.047 3.250 1.00 2.88 H new ATOM 727 N LEU B 107 9.986 -1.578 -0.630 1.00 1.63 N ATOM 728 CA LEU B 107 8.717 -1.465 -1.345 1.00 1.23 C ATOM 729 C LEU B 107 8.695 -2.361 -2.572 1.00 1.08 C ATOM 730 O LEU B 107 7.728 -3.071 -2.804 1.00 0.96 O ATOM 731 CB LEU B 107 8.486 -0.029 -1.790 1.00 1.21 C ATOM 732 CG LEU B 107 8.334 0.992 -0.675 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.399 2.390 -1.250 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.023 0.781 0.064 1.00 1.19 C ATOM 0 H LEU B 107 10.519 -0.709 -0.585 1.00 1.63 H new ATOM 0 HA LEU B 107 7.929 -1.776 -0.660 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.320 0.274 -2.423 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.589 0.000 -2.409 1.00 1.21 H new ATOM 0 HG LEU B 107 9.150 0.864 0.036 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.290 3.119 -0.447 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.360 2.536 -1.744 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.595 2.524 -1.973 1.00 1.42 H new ATOM 0 HD21 LEU B 107 6.930 1.521 0.859 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.191 0.890 -0.632 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.006 -0.220 0.496 1.00 1.19 H new ATOM 746 N MET B 108 9.777 -2.331 -3.342 1.00 1.26 N ATOM 747 CA MET B 108 9.859 -3.122 -4.568 1.00 1.26 C ATOM 748 C MET B 108 9.838 -4.618 -4.264 1.00 1.17 C ATOM 749 O MET B 108 9.255 -5.398 -5.014 1.00 1.13 O ATOM 750 CB MET B 108 11.103 -2.748 -5.393 1.00 1.64 C ATOM 751 CG MET B 108 12.433 -3.034 -4.727 1.00 1.96 C ATOM 752 SD MET B 108 13.836 -2.441 -5.699 1.00 2.39 S ATOM 753 CE MET B 108 13.470 -0.690 -5.806 1.00 2.67 C ATOM 0 H MET B 108 10.606 -1.771 -3.142 1.00 1.26 H new ATOM 0 HA MET B 108 8.978 -2.889 -5.167 1.00 1.26 H new ATOM 0 HB2 MET B 108 11.066 -3.287 -6.340 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.055 -1.685 -5.630 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.452 -2.564 -3.744 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.533 -4.108 -4.569 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.396 -0.119 -5.730 1.00 2.67 H new ATOM 0 HE2 MET B 108 12.990 -0.476 -6.761 1.00 2.67 H new ATOM 0 HE3 MET B 108 12.802 -0.408 -4.993 1.00 2.67 H new ATOM 763 N ALA B 109 10.448 -5.016 -3.152 1.00 1.27 N ATOM 764 CA ALA B 109 10.464 -6.424 -2.771 1.00 1.30 C ATOM 765 C ALA B 109 9.070 -6.896 -2.358 1.00 0.99 C ATOM 766 O ALA B 109 8.610 -7.951 -2.790 1.00 1.01 O ATOM 767 CB ALA B 109 11.478 -6.665 -1.661 1.00 1.60 C ATOM 0 H ALA B 109 10.932 -4.392 -2.506 1.00 1.27 H new ATOM 0 HA ALA B 109 10.766 -7.010 -3.639 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.476 -7.721 -1.390 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.472 -6.381 -2.008 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.213 -6.066 -0.790 1.00 1.60 H new ATOM 773 N GLU B 110 8.402 -6.107 -1.529 1.00 0.80 N ATOM 774 CA GLU B 110 7.031 -6.428 -1.131 1.00 0.62 C ATOM 775 C GLU B 110 6.115 -6.353 -2.351 1.00 0.45 C ATOM 776 O GLU B 110 5.221 -7.169 -2.537 1.00 0.54 O ATOM 777 CB GLU B 110 6.547 -5.463 -0.047 1.00 0.56 C ATOM 778 CG GLU B 110 7.288 -5.602 1.272 1.00 0.60 C ATOM 779 CD GLU B 110 6.730 -4.693 2.347 1.00 0.83 C ATOM 780 OE1 GLU B 110 5.539 -4.340 2.271 1.00 1.49 O ATOM 781 OE2 GLU B 110 7.475 -4.338 3.287 1.00 1.48 O ATOM 0 H GLU B 110 8.777 -5.250 -1.121 1.00 0.80 H new ATOM 0 HA GLU B 110 7.008 -7.439 -0.724 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.656 -4.441 -0.409 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.483 -5.628 0.125 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.232 -6.637 1.610 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.343 -5.374 1.119 1.00 0.60 H new ATOM 788 N LYS B 111 6.395 -5.357 -3.169 1.00 0.41 N ATOM 789 CA LYS B 111 5.646 -5.172 -4.411 1.00 0.46 C ATOM 790 C LYS B 111 5.691 -6.422 -5.286 1.00 0.47 C ATOM 791 O LYS B 111 4.657 -6.943 -5.699 1.00 0.52 O ATOM 792 CB LYS B 111 6.190 -3.972 -5.191 1.00 0.63 C ATOM 793 CG LYS B 111 5.910 -4.026 -6.686 1.00 0.79 C ATOM 794 CD LYS B 111 6.350 -2.747 -7.373 1.00 0.89 C ATOM 795 CE LYS B 111 6.277 -2.855 -8.885 1.00 1.15 C ATOM 796 NZ LYS B 111 7.251 -3.838 -9.427 1.00 1.89 N ATOM 0 H LYS B 111 7.127 -4.666 -3.005 1.00 0.41 H new ATOM 0 HA LYS B 111 4.607 -4.985 -4.141 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.755 -3.059 -4.783 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.267 -3.909 -5.036 1.00 0.63 H new ATOM 0 HG2 LYS B 111 6.431 -4.876 -7.126 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.845 -4.184 -6.854 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.721 -1.922 -7.038 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.372 -2.510 -7.076 1.00 0.89 H new ATOM 0 HE2 LYS B 111 5.268 -3.147 -9.178 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.467 -1.877 -9.327 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 7.153 -3.890 -10.461 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 8.217 -3.539 -9.186 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 7.065 -4.774 -9.014 1.00 1.89 H new ATOM 810 N ASP B 112 6.888 -6.909 -5.550 1.00 0.49 N ATOM 811 CA ASP B 112 7.066 -8.015 -6.485 1.00 0.58 C ATOM 812 C ASP B 112 6.692 -9.355 -5.859 1.00 0.53 C ATOM 813 O ASP B 112 6.594 -10.366 -6.557 1.00 0.63 O ATOM 814 CB ASP B 112 8.505 -8.053 -6.998 1.00 0.72 C ATOM 815 CG ASP B 112 8.816 -6.928 -7.965 1.00 2.65 C ATOM 816 OD1 ASP B 112 7.869 -6.281 -8.465 1.00 3.03 O ATOM 817 OD2 ASP B 112 10.012 -6.683 -8.237 1.00 3.08 O ATOM 0 H ASP B 112 7.752 -6.561 -5.134 1.00 0.49 H new ATOM 0 HA ASP B 112 6.392 -7.845 -7.324 1.00 0.58 H new ATOM 0 HB2 ASP B 112 9.189 -7.997 -6.151 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.685 -9.009 -7.490 1.00 0.72 H new ATOM 822 N SER B 113 6.499 -9.374 -4.546 1.00 0.44 N ATOM 823 CA SER B 113 6.108 -10.596 -3.852 1.00 0.43 C ATOM 824 C SER B 113 4.631 -10.583 -3.464 1.00 0.35 C ATOM 825 O SER B 113 4.078 -11.606 -3.061 1.00 0.40 O ATOM 826 CB SER B 113 6.967 -10.789 -2.602 1.00 0.44 C ATOM 827 OG SER B 113 8.335 -10.945 -2.938 1.00 0.55 O ATOM 0 H SER B 113 6.606 -8.560 -3.941 1.00 0.44 H new ATOM 0 HA SER B 113 6.266 -11.427 -4.540 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.848 -9.931 -1.940 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.623 -11.665 -2.053 1.00 0.44 H new ATOM 0 HG SER B 113 8.764 -10.065 -2.979 1.00 0.55 H new ATOM 833 N LEU B 114 3.997 -9.427 -3.581 1.00 0.27 N ATOM 834 CA LEU B 114 2.621 -9.272 -3.137 1.00 0.23 C ATOM 835 C LEU B 114 1.663 -9.866 -4.161 1.00 0.27 C ATOM 836 O LEU B 114 1.909 -9.806 -5.370 1.00 0.30 O ATOM 837 CB LEU B 114 2.306 -7.794 -2.904 1.00 0.17 C ATOM 838 CG LEU B 114 1.105 -7.509 -1.995 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.471 -7.724 -0.536 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.604 -6.098 -2.203 1.00 0.16 C ATOM 0 H LEU B 114 4.412 -8.584 -3.979 1.00 0.27 H new ATOM 0 HA LEU B 114 2.494 -9.808 -2.196 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.186 -7.317 -2.473 1.00 0.17 H new ATOM 0 HB3 LEU B 114 2.128 -7.322 -3.870 1.00 0.17 H new ATOM 0 HG LEU B 114 0.309 -8.205 -2.259 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.604 -7.516 0.091 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.786 -8.757 -0.388 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.286 -7.053 -0.263 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.249 -5.915 -1.549 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.400 -5.391 -1.969 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.299 -5.970 -3.242 1.00 0.16 H new ATOM 852 N ASP B 115 0.589 -10.461 -3.667 1.00 0.29 N ATOM 853 CA ASP B 115 -0.401 -11.099 -4.523 1.00 0.34 C ATOM 854 C ASP B 115 -1.210 -10.043 -5.278 1.00 0.33 C ATOM 855 O ASP B 115 -1.707 -9.089 -4.681 1.00 0.29 O ATOM 856 CB ASP B 115 -1.328 -11.974 -3.677 1.00 0.37 C ATOM 857 CG ASP B 115 -2.188 -12.892 -4.516 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.849 -14.089 -4.629 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.209 -12.430 -5.059 1.00 1.21 O ATOM 0 H ASP B 115 0.379 -10.516 -2.670 1.00 0.29 H new ATOM 0 HA ASP B 115 0.112 -11.726 -5.252 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.730 -12.571 -2.989 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -1.970 -11.336 -3.070 1.00 0.37 H new ATOM 864 N PRO B 116 -1.349 -10.210 -6.606 1.00 0.41 N ATOM 865 CA PRO B 116 -2.026 -9.238 -7.477 1.00 0.46 C ATOM 866 C PRO B 116 -3.514 -9.084 -7.166 1.00 0.42 C ATOM 867 O PRO B 116 -4.143 -8.118 -7.598 1.00 0.47 O ATOM 868 CB PRO B 116 -1.828 -9.813 -8.883 1.00 0.55 C ATOM 869 CG PRO B 116 -1.608 -11.267 -8.664 1.00 0.55 C ATOM 870 CD PRO B 116 -0.854 -11.368 -7.371 1.00 0.50 C ATOM 0 HA PRO B 116 -1.615 -8.237 -7.347 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.700 -9.634 -9.511 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -0.975 -9.354 -9.383 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.555 -11.803 -8.609 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.041 -11.706 -9.485 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -1.058 -12.308 -6.858 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.224 -11.317 -7.527 1.00 0.50 H new ATOM 878 N SER B 117 -4.073 -10.039 -6.430 1.00 0.36 N ATOM 879 CA SER B 117 -5.476 -9.973 -6.044 1.00 0.37 C ATOM 880 C SER B 117 -5.726 -8.776 -5.129 1.00 0.38 C ATOM 881 O SER B 117 -6.857 -8.305 -5.001 1.00 0.56 O ATOM 882 CB SER B 117 -5.913 -11.267 -5.357 1.00 0.37 C ATOM 883 OG SER B 117 -7.307 -11.271 -5.096 1.00 1.30 O ATOM 0 H SER B 117 -3.578 -10.864 -6.091 1.00 0.36 H new ATOM 0 HA SER B 117 -6.070 -9.848 -6.950 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.657 -12.119 -5.987 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.366 -11.386 -4.422 1.00 0.37 H new ATOM 0 HG SER B 117 -7.555 -12.112 -4.658 1.00 1.30 H new ATOM 889 N PHE B 118 -4.667 -8.277 -4.507 1.00 0.28 N ATOM 890 CA PHE B 118 -4.768 -7.090 -3.675 1.00 0.32 C ATOM 891 C PHE B 118 -4.438 -5.869 -4.511 1.00 0.44 C ATOM 892 O PHE B 118 -3.312 -5.372 -4.499 1.00 0.94 O ATOM 893 CB PHE B 118 -3.831 -7.179 -2.473 1.00 0.27 C ATOM 894 CG PHE B 118 -4.032 -8.416 -1.653 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.812 -8.385 -0.513 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.438 -9.609 -2.022 1.00 1.21 C ATOM 897 CE1 PHE B 118 -4.996 -9.521 0.244 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.617 -10.749 -1.272 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.399 -10.707 -0.134 1.00 0.28 C ATOM 0 H PHE B 118 -3.730 -8.676 -4.564 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.786 -7.011 -3.294 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.799 -7.148 -2.823 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.980 -6.304 -1.840 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.282 -7.460 -0.212 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.825 -9.647 -2.911 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.607 -9.484 1.133 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.147 -11.674 -1.572 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.543 -11.599 0.458 1.00 0.28 H new ATOM 909 N THR B 119 -5.435 -5.394 -5.235 1.00 0.39 N ATOM 910 CA THR B 119 -5.250 -4.314 -6.182 1.00 0.39 C ATOM 911 C THR B 119 -4.746 -3.044 -5.506 1.00 0.41 C ATOM 912 O THR B 119 -3.753 -2.460 -5.933 1.00 0.45 O ATOM 913 CB THR B 119 -6.564 -4.003 -6.919 1.00 0.44 C ATOM 914 OG1 THR B 119 -7.014 -5.169 -7.620 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.374 -2.850 -7.892 1.00 0.45 C ATOM 0 H THR B 119 -6.391 -5.745 -5.182 1.00 0.39 H new ATOM 0 HA THR B 119 -4.498 -4.648 -6.896 1.00 0.39 H new ATOM 0 HB THR B 119 -7.315 -3.712 -6.185 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.852 -4.967 -8.087 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.315 -2.646 -8.403 1.00 0.45 H new ATOM 0 HG22 THR B 119 -6.058 -1.961 -7.346 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.613 -3.115 -8.626 1.00 0.45 H new ATOM 923 N HIS B 120 -5.427 -2.627 -4.455 1.00 0.44 N ATOM 924 CA HIS B 120 -5.111 -1.373 -3.795 1.00 0.51 C ATOM 925 C HIS B 120 -3.780 -1.462 -3.059 1.00 0.47 C ATOM 926 O HIS B 120 -2.984 -0.529 -3.101 1.00 0.57 O ATOM 927 CB HIS B 120 -6.238 -0.974 -2.854 1.00 0.60 C ATOM 928 CG HIS B 120 -7.536 -0.755 -3.567 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.690 0.144 -4.601 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.732 -1.367 -3.424 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.929 0.074 -5.059 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.582 -0.835 -4.362 1.00 1.47 N ATOM 0 H HIS B 120 -6.205 -3.139 -4.039 1.00 0.44 H new ATOM 0 HA HIS B 120 -5.011 -0.598 -4.555 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.369 -1.751 -2.100 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.960 -0.062 -2.327 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -8.975 -2.134 -2.704 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.337 0.662 -5.868 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.558 -1.099 -4.497 1.00 1.47 H new ATOM 941 N ALA B 121 -3.542 -2.592 -2.402 1.00 0.37 N ATOM 942 CA ALA B 121 -2.266 -2.848 -1.739 1.00 0.33 C ATOM 943 C ALA B 121 -1.125 -2.788 -2.743 1.00 0.38 C ATOM 944 O ALA B 121 -0.064 -2.225 -2.477 1.00 0.47 O ATOM 945 CB ALA B 121 -2.299 -4.202 -1.049 1.00 0.27 C ATOM 0 H ALA B 121 -4.219 -3.350 -2.314 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.100 -2.077 -0.986 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.343 -4.383 -0.558 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.097 -4.212 -0.306 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.481 -4.982 -1.788 1.00 0.27 H new ATOM 951 N MET B 122 -1.379 -3.347 -3.912 1.00 0.35 N ATOM 952 CA MET B 122 -0.414 -3.340 -5.000 1.00 0.34 C ATOM 953 C MET B 122 -0.253 -1.937 -5.568 1.00 0.38 C ATOM 954 O MET B 122 0.853 -1.511 -5.900 1.00 0.41 O ATOM 955 CB MET B 122 -0.853 -4.317 -6.092 1.00 0.37 C ATOM 956 CG MET B 122 -0.521 -5.768 -5.789 1.00 0.38 C ATOM 957 SD MET B 122 1.115 -6.265 -6.376 1.00 0.49 S ATOM 958 CE MET B 122 2.183 -5.136 -5.491 1.00 0.63 C ATOM 0 H MET B 122 -2.256 -3.817 -4.135 1.00 0.35 H new ATOM 0 HA MET B 122 0.553 -3.659 -4.612 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.929 -4.224 -6.238 1.00 0.37 H new ATOM 0 HB3 MET B 122 -0.378 -4.034 -7.031 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.578 -5.929 -4.712 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.274 -6.409 -6.247 1.00 0.38 H new ATOM 0 HE1 MET B 122 3.221 -5.332 -5.759 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.927 -4.110 -5.756 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.053 -5.277 -4.418 1.00 0.63 H new ATOM 968 N GLN B 123 -1.361 -1.222 -5.654 1.00 0.44 N ATOM 969 CA GLN B 123 -1.358 0.138 -6.178 1.00 0.53 C ATOM 970 C GLN B 123 -0.638 1.095 -5.230 1.00 0.54 C ATOM 971 O GLN B 123 0.145 1.937 -5.674 1.00 0.62 O ATOM 972 CB GLN B 123 -2.793 0.597 -6.470 1.00 0.65 C ATOM 973 CG GLN B 123 -3.036 2.087 -6.275 1.00 0.83 C ATOM 974 CD GLN B 123 -4.494 2.466 -6.447 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.280 2.409 -5.499 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.859 2.880 -7.648 1.00 1.76 N ATOM 0 H GLN B 123 -2.280 -1.560 -5.367 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.804 0.147 -7.117 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -3.042 0.333 -7.498 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.475 0.044 -5.825 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.703 2.379 -5.279 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.432 2.647 -6.989 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -4.177 2.912 -8.406 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.823 3.168 -7.817 1.00 1.76 H new ATOM 985 N LEU B 124 -0.881 0.962 -3.936 1.00 0.49 N ATOM 986 CA LEU B 124 -0.248 1.837 -2.960 1.00 0.50 C ATOM 987 C LEU B 124 1.260 1.603 -2.926 1.00 0.45 C ATOM 988 O LEU B 124 2.040 2.542 -2.760 1.00 0.52 O ATOM 989 CB LEU B 124 -0.889 1.666 -1.584 1.00 0.50 C ATOM 990 CG LEU B 124 -2.373 2.035 -1.521 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.011 1.494 -0.253 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.550 3.543 -1.604 1.00 0.83 C ATOM 0 H LEU B 124 -1.507 0.262 -3.538 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.407 2.872 -3.262 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.773 0.629 -1.270 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.345 2.279 -0.866 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.874 1.579 -2.375 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.066 1.769 -0.230 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.918 0.408 -0.234 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.507 1.916 0.617 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.611 3.788 -1.558 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.032 4.017 -0.770 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.134 3.907 -2.544 1.00 0.83 H new ATOM 1004 N LEU B 125 1.667 0.347 -3.110 1.00 0.37 N ATOM 1005 CA LEU B 125 3.086 0.009 -3.199 1.00 0.35 C ATOM 1006 C LEU B 125 3.672 0.624 -4.460 1.00 0.46 C ATOM 1007 O LEU B 125 4.786 1.138 -4.454 1.00 0.52 O ATOM 1008 CB LEU B 125 3.289 -1.510 -3.248 1.00 0.28 C ATOM 1009 CG LEU B 125 3.253 -2.245 -1.912 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.175 -3.740 -2.152 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.488 -1.923 -1.089 1.00 0.33 C ATOM 0 H LEU B 125 1.036 -0.450 -3.200 1.00 0.37 H new ATOM 0 HA LEU B 125 3.587 0.401 -2.314 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.520 -1.936 -3.893 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.250 -1.711 -3.722 1.00 0.28 H new ATOM 0 HG LEU B 125 2.372 -1.917 -1.360 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.150 -4.261 -1.195 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.271 -3.971 -2.715 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.048 -4.064 -2.718 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.442 -2.457 -0.140 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.380 -2.230 -1.636 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.530 -0.850 -0.900 1.00 0.33 H new ATOM 1023 N THR B 126 2.893 0.585 -5.529 1.00 0.55 N ATOM 1024 CA THR B 126 3.357 1.086 -6.810 1.00 0.74 C ATOM 1025 C THR B 126 3.575 2.595 -6.749 1.00 0.92 C ATOM 1026 O THR B 126 4.623 3.106 -7.154 1.00 1.07 O ATOM 1027 CB THR B 126 2.341 0.759 -7.924 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.199 -0.661 -8.061 1.00 0.86 O ATOM 1029 CG2 THR B 126 2.767 1.363 -9.254 1.00 0.91 C ATOM 0 H THR B 126 1.943 0.214 -5.535 1.00 0.55 H new ATOM 0 HA THR B 126 4.304 0.596 -7.037 1.00 0.74 H new ATOM 0 HB THR B 126 1.383 1.195 -7.641 1.00 0.81 H new ATOM 0 HG1 THR B 126 1.556 -0.991 -7.399 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.031 1.115 -10.019 1.00 0.91 H new ATOM 0 HG22 THR B 126 2.837 2.446 -9.156 1.00 0.91 H new ATOM 0 HG23 THR B 126 3.738 0.961 -9.542 1.00 0.91 H new ATOM 1037 N ALA B 127 2.588 3.294 -6.200 1.00 0.96 N ATOM 1038 CA ALA B 127 2.621 4.746 -6.123 1.00 1.09 C ATOM 1039 C ALA B 127 3.790 5.243 -5.275 1.00 1.18 C ATOM 1040 O ALA B 127 4.491 6.176 -5.658 1.00 1.38 O ATOM 1041 CB ALA B 127 1.305 5.260 -5.566 1.00 1.18 C ATOM 0 H ALA B 127 1.750 2.873 -5.799 1.00 0.96 H new ATOM 0 HA ALA B 127 2.765 5.134 -7.131 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.334 6.348 -5.510 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.488 4.952 -6.219 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.147 4.849 -4.569 1.00 1.18 H new ATOM 1047 N GLU B 128 3.990 4.618 -4.119 1.00 1.12 N ATOM 1048 CA GLU B 128 5.066 5.016 -3.217 1.00 1.31 C ATOM 1049 C GLU B 128 6.427 4.809 -3.873 1.00 1.38 C ATOM 1050 O GLU B 128 7.333 5.628 -3.722 1.00 1.62 O ATOM 1051 CB GLU B 128 4.988 4.233 -1.912 1.00 1.35 C ATOM 1052 CG GLU B 128 5.923 4.747 -0.834 1.00 1.46 C ATOM 1053 CD GLU B 128 5.612 6.166 -0.393 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.541 6.385 0.213 1.00 2.01 O ATOM 1055 OE2 GLU B 128 6.451 7.062 -0.619 1.00 1.95 O ATOM 0 H GLU B 128 3.424 3.838 -3.786 1.00 1.12 H new ATOM 0 HA GLU B 128 4.946 6.077 -2.996 1.00 1.31 H new ATOM 0 HB2 GLU B 128 3.964 4.267 -1.539 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.219 3.187 -2.112 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.868 4.085 0.030 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.948 4.705 -1.202 1.00 1.46 H new ATOM 1062 N ILE B 129 6.554 3.727 -4.628 1.00 1.24 N ATOM 1063 CA ILE B 129 7.784 3.458 -5.352 1.00 1.42 C ATOM 1064 C ILE B 129 8.004 4.517 -6.421 1.00 1.64 C ATOM 1065 O ILE B 129 9.119 5.022 -6.592 1.00 1.92 O ATOM 1066 CB ILE B 129 7.775 2.057 -5.991 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.782 1.002 -4.892 1.00 1.14 C ATOM 1068 CG2 ILE B 129 8.967 1.871 -6.922 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.575 -0.403 -5.394 1.00 1.01 C ATOM 0 H ILE B 129 5.824 3.026 -4.754 1.00 1.24 H new ATOM 0 HA ILE B 129 8.604 3.491 -4.635 1.00 1.42 H new ATOM 0 HB ILE B 129 6.871 1.948 -6.590 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.732 1.051 -4.361 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.000 1.238 -4.170 1.00 1.14 H new ATOM 0 HG21 ILE B 129 8.935 0.873 -7.359 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.928 2.616 -7.716 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.892 1.990 -6.357 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.593 -1.096 -4.553 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.612 -0.470 -5.900 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.371 -0.660 -6.093 1.00 1.01 H new ATOM 1081 N GLU B 130 6.928 4.873 -7.112 1.00 1.55 N ATOM 1082 CA GLU B 130 6.968 5.948 -8.087 1.00 1.76 C ATOM 1083 C GLU B 130 7.437 7.230 -7.427 1.00 1.94 C ATOM 1084 O GLU B 130 8.268 7.945 -7.963 1.00 2.19 O ATOM 1085 CB GLU B 130 5.588 6.193 -8.693 1.00 1.67 C ATOM 1086 CG GLU B 130 5.145 5.147 -9.695 1.00 1.60 C ATOM 1087 CD GLU B 130 3.823 5.513 -10.336 1.00 1.81 C ATOM 1088 OE1 GLU B 130 2.918 4.655 -10.373 1.00 2.25 O ATOM 1089 OE2 GLU B 130 3.680 6.672 -10.790 1.00 2.16 O ATOM 0 H GLU B 130 6.015 4.429 -7.012 1.00 1.55 H new ATOM 0 HA GLU B 130 7.659 5.653 -8.876 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.855 6.239 -7.888 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.588 7.168 -9.181 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.906 5.037 -10.467 1.00 1.60 H new ATOM 0 HG3 GLU B 130 5.054 4.181 -9.197 1.00 1.60 H new ATOM 1096 N LYS B 131 6.927 7.472 -6.232 1.00 1.85 N ATOM 1097 CA LYS B 131 7.167 8.708 -5.505 1.00 2.07 C ATOM 1098 C LYS B 131 8.638 8.878 -5.157 1.00 2.28 C ATOM 1099 O LYS B 131 9.202 9.957 -5.339 1.00 2.53 O ATOM 1100 CB LYS B 131 6.300 8.707 -4.245 1.00 2.03 C ATOM 1101 CG LYS B 131 6.600 9.815 -3.252 1.00 2.33 C ATOM 1102 CD LYS B 131 5.542 9.856 -2.162 1.00 2.59 C ATOM 1103 CE LYS B 131 6.070 10.477 -0.882 1.00 3.17 C ATOM 1104 NZ LYS B 131 7.110 9.625 -0.249 1.00 3.73 N ATOM 0 H LYS B 131 6.330 6.812 -5.734 1.00 1.85 H new ATOM 0 HA LYS B 131 6.898 9.554 -6.137 1.00 2.07 H new ATOM 0 HB2 LYS B 131 5.254 8.782 -4.543 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.420 7.748 -3.742 1.00 2.03 H new ATOM 0 HG2 LYS B 131 7.582 9.656 -2.807 1.00 2.33 H new ATOM 0 HG3 LYS B 131 6.635 10.774 -3.769 1.00 2.33 H new ATOM 0 HD2 LYS B 131 4.681 10.425 -2.513 1.00 2.59 H new ATOM 0 HD3 LYS B 131 5.193 8.844 -1.957 1.00 2.59 H new ATOM 0 HE2 LYS B 131 6.487 11.460 -1.099 1.00 3.17 H new ATOM 0 HE3 LYS B 131 5.247 10.627 -0.183 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 6.910 9.531 0.767 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 7.104 8.684 -0.691 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 8.044 10.063 -0.379 1.00 3.73 H new ATOM 1118 N ILE B 132 9.262 7.814 -4.679 1.00 2.21 N ATOM 1119 CA ILE B 132 10.673 7.865 -4.333 1.00 2.47 C ATOM 1120 C ILE B 132 11.541 7.931 -5.586 1.00 2.68 C ATOM 1121 O ILE B 132 12.522 8.672 -5.637 1.00 2.98 O ATOM 1122 CB ILE B 132 11.086 6.646 -3.492 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.041 6.392 -2.405 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.466 6.862 -2.875 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.431 5.308 -1.429 1.00 2.19 C ATOM 0 H ILE B 132 8.817 6.910 -4.522 1.00 2.21 H new ATOM 0 HA ILE B 132 10.826 8.769 -3.743 1.00 2.47 H new ATOM 0 HB ILE B 132 11.141 5.771 -4.139 1.00 2.40 H new ATOM 0 HG12 ILE B 132 9.868 7.318 -1.856 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.097 6.121 -2.877 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.741 5.989 -2.284 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.200 7.009 -3.667 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.444 7.743 -2.233 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.641 5.184 -0.688 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.575 4.370 -1.965 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.358 5.586 -0.928 1.00 2.19 H new ATOM 1137 N GLN B 133 11.159 7.166 -6.602 1.00 2.56 N ATOM 1138 CA GLN B 133 11.938 7.091 -7.831 1.00 2.81 C ATOM 1139 C GLN B 133 11.805 8.360 -8.675 1.00 2.97 C ATOM 1140 O GLN B 133 12.766 8.781 -9.317 1.00 3.27 O ATOM 1141 CB GLN B 133 11.533 5.865 -8.657 1.00 2.72 C ATOM 1142 CG GLN B 133 11.979 4.548 -8.039 1.00 2.73 C ATOM 1143 CD GLN B 133 11.619 3.345 -8.890 1.00 2.94 C ATOM 1144 OE1 GLN B 133 10.617 3.346 -9.609 1.00 3.49 O ATOM 1145 NE2 GLN B 133 12.438 2.307 -8.818 1.00 2.90 N ATOM 0 H GLN B 133 10.317 6.591 -6.599 1.00 2.56 H new ATOM 0 HA GLN B 133 12.984 6.995 -7.539 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.449 5.855 -8.772 1.00 2.72 H new ATOM 0 HB3 GLN B 133 11.959 5.952 -9.656 1.00 2.72 H new ATOM 0 HG2 GLN B 133 13.058 4.570 -7.888 1.00 2.73 H new ATOM 0 HG3 GLN B 133 11.522 4.441 -7.055 1.00 2.73 H new ATOM 0 HE21 GLN B 133 13.257 2.345 -8.211 1.00 2.90 H new ATOM 0 HE22 GLN B 133 12.250 1.470 -9.369 1.00 2.90 H new ATOM 1154 N LYS B 134 10.628 8.980 -8.660 1.00 2.82 N ATOM 1155 CA LYS B 134 10.376 10.143 -9.513 1.00 3.02 C ATOM 1156 C LYS B 134 10.898 11.426 -8.876 1.00 3.29 C ATOM 1157 O LYS B 134 10.962 12.465 -9.529 1.00 3.54 O ATOM 1158 CB LYS B 134 8.880 10.279 -9.844 1.00 2.88 C ATOM 1159 CG LYS B 134 8.013 10.808 -8.712 1.00 2.84 C ATOM 1160 CD LYS B 134 6.546 10.871 -9.124 1.00 2.90 C ATOM 1161 CE LYS B 134 6.044 9.519 -9.622 1.00 3.30 C ATOM 1162 NZ LYS B 134 4.605 9.546 -9.999 1.00 3.82 N ATOM 0 H LYS B 134 9.840 8.702 -8.074 1.00 2.82 H new ATOM 0 HA LYS B 134 10.919 9.982 -10.444 1.00 3.02 H new ATOM 0 HB2 LYS B 134 8.773 10.942 -10.703 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.501 9.303 -10.145 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.121 10.166 -7.838 1.00 2.84 H new ATOM 0 HG3 LYS B 134 8.355 11.802 -8.422 1.00 2.84 H new ATOM 0 HD2 LYS B 134 5.943 11.194 -8.275 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.419 11.618 -9.908 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.636 9.211 -10.484 1.00 3.30 H new ATOM 0 HE3 LYS B 134 6.198 8.770 -8.845 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 4.298 8.589 -10.265 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 4.041 9.878 -9.191 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 4.469 10.190 -10.804 1.00 3.82 H new ATOM 1176 N GLY B 135 11.276 11.350 -7.608 1.00 3.29 N ATOM 1177 CA GLY B 135 11.802 12.514 -6.932 1.00 3.59 C ATOM 1178 C GLY B 135 12.922 12.159 -5.983 1.00 4.02 C ATOM 1179 O GLY B 135 12.647 11.967 -4.783 1.00 4.46 O ATOM 1180 OXT GLY B 135 14.077 12.056 -6.439 1.00 4.40 O ATOM 0 H GLY B 135 11.227 10.505 -7.038 1.00 3.29 H new ATOM 0 HA2 GLY B 135 12.165 13.229 -7.670 1.00 3.59 H new ATOM 0 HA3 GLY B 135 11.001 13.005 -6.380 1.00 3.59 H new TER 1184 GLY B 135