USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=20 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= 0.613 K(o=0.61,f=-8.5!) USER MOD Set 1.2: B 123 GLN : amide:sc=-0.00509 K(o=0.61,f=-1.8) USER MOD Set 2.1: A 120 HIS : no HD1:sc= 0.757 K(o=0.76,f=-8.6!) USER MOD Set 2.2: A 123 GLN : amide:sc= 0 K(o=0.76,f=-1.7!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 130:sc= -0.0163 USER MOD Single : A 108 MET CE :methyl 140:sc= -0.413 (180deg=-1.51) USER MOD Single : A 111 LYS NZ :NH3+ -154:sc= 1.12 (180deg=-0.000401) USER MOD Single : A 113 SER OG : rot 94:sc= 1.01 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 -106:sc= -0.468 (180deg=-2.76!) USER MOD Single : A 126 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 131 LYS NZ :NH3+ 167:sc= 1.03 (180deg=0.861) USER MOD Single : A 133 GLN : amide:sc= -0.0437 K(o=-0.044,f=-1.2!) USER MOD Single : A 134 LYS NZ :NH3+ -173:sc= 0.709 (180deg=0.677) USER MOD Single : B 101 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 TYR OH : rot 130:sc= -0.0215 USER MOD Single : B 108 MET CE :methyl 139:sc= -0.417 (180deg=-1.5) USER MOD Single : B 111 LYS NZ :NH3+ -165:sc= 1.04 (180deg=-0.152) USER MOD Single : B 113 SER OG : rot 93:sc= 1.01 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 -106:sc= -0.432 (180deg=-2.75!) USER MOD Single : B 126 THR OG1 : rot 77:sc= 1.24 USER MOD Single : B 131 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.901) USER MOD Single : B 133 GLN : amide:sc= -0.0623 K(o=-0.062,f=-1.3!) USER MOD Single : B 134 LYS NZ :NH3+ -173:sc= 0.706 (180deg=0.671) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 99 -17.068 3.247 -6.553 1.00 4.97 N ATOM 2 CA PRO A 99 -17.589 4.462 -5.943 1.00 4.83 C ATOM 3 C PRO A 99 -16.681 4.947 -4.818 1.00 4.33 C ATOM 4 O PRO A 99 -15.933 4.168 -4.219 1.00 4.07 O ATOM 5 CB PRO A 99 -18.970 4.068 -5.413 1.00 5.14 C ATOM 6 CG PRO A 99 -19.018 2.578 -5.428 1.00 5.27 C ATOM 7 CD PRO A 99 -17.978 2.106 -6.404 1.00 5.29 C ATOM 0 HA PRO A 99 -17.644 5.288 -6.653 1.00 4.83 H new ATOM 0 HB2 PRO A 99 -19.122 4.451 -4.404 1.00 5.14 H new ATOM 0 HB3 PRO A 99 -19.759 4.488 -6.036 1.00 5.14 H new ATOM 0 HG2 PRO A 99 -18.821 2.177 -4.434 1.00 5.27 H new ATOM 0 HG3 PRO A 99 -20.008 2.229 -5.722 1.00 5.27 H new ATOM 0 HD2 PRO A 99 -17.454 1.226 -6.031 1.00 5.29 H new ATOM 0 HD3 PRO A 99 -18.426 1.829 -7.358 1.00 5.29 H new ATOM 15 N GLU A 100 -16.778 6.234 -4.533 1.00 4.31 N ATOM 16 CA GLU A 100 -15.774 6.946 -3.753 1.00 4.02 C ATOM 17 C GLU A 100 -15.635 6.412 -2.338 1.00 3.83 C ATOM 18 O GLU A 100 -14.530 6.395 -1.791 1.00 3.64 O ATOM 19 CB GLU A 100 -16.098 8.434 -3.717 1.00 4.28 C ATOM 20 CG GLU A 100 -15.050 9.274 -3.006 1.00 4.51 C ATOM 21 CD GLU A 100 -15.399 10.742 -2.987 1.00 4.77 C ATOM 22 OE1 GLU A 100 -14.985 11.469 -3.914 1.00 4.99 O ATOM 23 OE2 GLU A 100 -16.089 11.177 -2.046 1.00 5.13 O ATOM 0 H GLU A 100 -17.557 6.819 -4.836 1.00 4.31 H new ATOM 0 HA GLU A 100 -14.817 6.785 -4.249 1.00 4.02 H new ATOM 0 HB2 GLU A 100 -16.209 8.797 -4.739 1.00 4.28 H new ATOM 0 HB3 GLU A 100 -17.059 8.575 -3.223 1.00 4.28 H new ATOM 0 HG2 GLU A 100 -14.937 8.918 -1.982 1.00 4.51 H new ATOM 0 HG3 GLU A 100 -14.087 9.140 -3.498 1.00 4.51 H new ATOM 30 N ASN A 101 -16.727 5.962 -1.739 1.00 4.05 N ATOM 31 CA ASN A 101 -16.702 5.489 -0.369 1.00 4.10 C ATOM 32 C ASN A 101 -16.313 4.022 -0.322 1.00 3.98 C ATOM 33 O ASN A 101 -15.508 3.617 0.512 1.00 4.07 O ATOM 34 CB ASN A 101 -18.059 5.705 0.312 1.00 4.55 C ATOM 35 CG ASN A 101 -18.092 5.175 1.736 1.00 4.76 C ATOM 36 OD1 ASN A 101 -18.446 4.019 1.975 1.00 5.19 O ATOM 37 ND2 ASN A 101 -17.734 6.019 2.690 1.00 4.68 N ATOM 0 H ASN A 101 -17.643 5.916 -2.185 1.00 4.05 H new ATOM 0 HA ASN A 101 -15.955 6.066 0.175 1.00 4.10 H new ATOM 0 HB2 ASN A 101 -18.292 6.770 0.320 1.00 4.55 H new ATOM 0 HB3 ASN A 101 -18.837 5.213 -0.272 1.00 4.55 H new ATOM 0 HD21 ASN A 101 -17.745 5.721 3.665 1.00 4.68 H new ATOM 0 HD22 ASN A 101 -17.447 6.968 2.450 1.00 4.68 H new ATOM 44 N LYS A 102 -16.903 3.224 -1.216 1.00 3.93 N ATOM 45 CA LYS A 102 -16.609 1.790 -1.324 1.00 3.87 C ATOM 46 C LYS A 102 -15.123 1.511 -1.552 1.00 3.43 C ATOM 47 O LYS A 102 -14.692 0.359 -1.496 1.00 3.32 O ATOM 48 CB LYS A 102 -17.420 1.156 -2.453 1.00 4.20 C ATOM 49 CG LYS A 102 -18.762 0.587 -2.016 1.00 4.62 C ATOM 50 CD LYS A 102 -19.704 1.655 -1.489 1.00 5.18 C ATOM 51 CE LYS A 102 -21.021 1.044 -1.049 1.00 5.68 C ATOM 52 NZ LYS A 102 -21.980 2.065 -0.561 1.00 6.27 N ATOM 0 H LYS A 102 -17.598 3.553 -1.886 1.00 3.93 H new ATOM 0 HA LYS A 102 -16.891 1.345 -0.370 1.00 3.87 H new ATOM 0 HB2 LYS A 102 -17.590 1.904 -3.227 1.00 4.20 H new ATOM 0 HB3 LYS A 102 -16.830 0.359 -2.905 1.00 4.20 H new ATOM 0 HG2 LYS A 102 -19.230 0.079 -2.860 1.00 4.62 H new ATOM 0 HG3 LYS A 102 -18.600 -0.164 -1.242 1.00 4.62 H new ATOM 0 HD2 LYS A 102 -19.240 2.173 -0.650 1.00 5.18 H new ATOM 0 HD3 LYS A 102 -19.885 2.401 -2.263 1.00 5.18 H new ATOM 0 HE2 LYS A 102 -21.465 0.502 -1.884 1.00 5.68 H new ATOM 0 HE3 LYS A 102 -20.835 0.316 -0.259 1.00 5.68 H new ATOM 0 HZ1 LYS A 102 -22.864 1.600 -0.272 1.00 6.27 H new ATOM 0 HZ2 LYS A 102 -21.570 2.566 0.253 1.00 6.27 H new ATOM 0 HZ3 LYS A 102 -22.179 2.746 -1.322 1.00 6.27 H new ATOM 66 N TYR A 103 -14.348 2.547 -1.834 1.00 3.24 N ATOM 67 CA TYR A 103 -12.899 2.455 -1.868 1.00 2.85 C ATOM 68 C TYR A 103 -12.356 2.020 -0.498 1.00 2.57 C ATOM 69 O TYR A 103 -11.354 1.310 -0.411 1.00 2.28 O ATOM 70 CB TYR A 103 -12.326 3.822 -2.266 1.00 2.82 C ATOM 71 CG TYR A 103 -10.815 3.884 -2.304 1.00 2.56 C ATOM 72 CD1 TYR A 103 -10.086 3.177 -3.250 1.00 2.69 C ATOM 73 CD2 TYR A 103 -10.123 4.662 -1.390 1.00 2.76 C ATOM 74 CE1 TYR A 103 -8.704 3.248 -3.281 1.00 2.58 C ATOM 75 CE2 TYR A 103 -8.746 4.739 -1.411 1.00 2.65 C ATOM 76 CZ TYR A 103 -8.040 4.028 -2.357 1.00 2.31 C ATOM 77 OH TYR A 103 -6.666 4.095 -2.381 1.00 2.31 O ATOM 0 H TYR A 103 -14.709 3.477 -2.046 1.00 3.24 H new ATOM 0 HA TYR A 103 -12.597 1.706 -2.600 1.00 2.85 H new ATOM 0 HB2 TYR A 103 -12.713 4.091 -3.249 1.00 2.82 H new ATOM 0 HB3 TYR A 103 -12.690 4.572 -1.564 1.00 2.82 H new ATOM 0 HD1 TYR A 103 -10.604 2.563 -3.972 1.00 2.69 H new ATOM 0 HD2 TYR A 103 -10.673 5.219 -0.646 1.00 2.76 H new ATOM 0 HE1 TYR A 103 -8.149 2.696 -4.025 1.00 2.58 H new ATOM 0 HE2 TYR A 103 -8.225 5.352 -0.691 1.00 2.65 H new ATOM 0 HH TYR A 103 -6.384 5.033 -2.365 1.00 2.31 H new ATOM 87 N LEU A 104 -13.046 2.437 0.561 1.00 2.70 N ATOM 88 CA LEU A 104 -12.629 2.156 1.934 1.00 2.55 C ATOM 89 C LEU A 104 -12.707 0.659 2.270 1.00 2.53 C ATOM 90 O LEU A 104 -11.717 0.081 2.725 1.00 2.25 O ATOM 91 CB LEU A 104 -13.467 2.981 2.924 1.00 2.85 C ATOM 92 CG LEU A 104 -13.109 2.803 4.404 1.00 2.83 C ATOM 93 CD1 LEU A 104 -11.656 3.176 4.654 1.00 2.46 C ATOM 94 CD2 LEU A 104 -14.031 3.642 5.276 1.00 3.18 C ATOM 0 H LEU A 104 -13.908 2.978 0.493 1.00 2.70 H new ATOM 0 HA LEU A 104 -11.583 2.448 2.025 1.00 2.55 H new ATOM 0 HB2 LEU A 104 -13.365 4.036 2.668 1.00 2.85 H new ATOM 0 HB3 LEU A 104 -14.517 2.721 2.789 1.00 2.85 H new ATOM 0 HG LEU A 104 -13.242 1.753 4.666 1.00 2.83 H new ATOM 0 HD11 LEU A 104 -11.423 3.043 5.710 1.00 2.46 H new ATOM 0 HD12 LEU A 104 -11.008 2.536 4.056 1.00 2.46 H new ATOM 0 HD13 LEU A 104 -11.495 4.217 4.376 1.00 2.46 H new ATOM 0 HD21 LEU A 104 -13.765 3.505 6.324 1.00 3.18 H new ATOM 0 HD22 LEU A 104 -13.927 4.694 5.009 1.00 3.18 H new ATOM 0 HD23 LEU A 104 -15.063 3.329 5.120 1.00 3.18 H new ATOM 106 N PRO A 105 -13.867 -0.008 2.073 1.00 2.88 N ATOM 107 CA PRO A 105 -13.999 -1.442 2.360 1.00 2.95 C ATOM 108 C PRO A 105 -13.065 -2.294 1.504 1.00 2.65 C ATOM 109 O PRO A 105 -12.650 -3.374 1.922 1.00 2.62 O ATOM 110 CB PRO A 105 -15.462 -1.749 2.040 1.00 3.43 C ATOM 111 CG PRO A 105 -15.853 -0.671 1.100 1.00 3.51 C ATOM 112 CD PRO A 105 -15.141 0.551 1.593 1.00 3.28 C ATOM 0 HA PRO A 105 -13.727 -1.674 3.390 1.00 2.95 H new ATOM 0 HB2 PRO A 105 -15.574 -2.734 1.587 1.00 3.43 H new ATOM 0 HB3 PRO A 105 -16.079 -1.739 2.939 1.00 3.43 H new ATOM 0 HG2 PRO A 105 -15.560 -0.913 0.078 1.00 3.51 H new ATOM 0 HG3 PRO A 105 -16.933 -0.524 1.096 1.00 3.51 H new ATOM 0 HD2 PRO A 105 -14.992 1.284 0.800 1.00 3.28 H new ATOM 0 HD3 PRO A 105 -15.693 1.051 2.389 1.00 3.28 H new ATOM 120 N GLU A 106 -12.738 -1.818 0.310 1.00 2.53 N ATOM 121 CA GLU A 106 -11.759 -2.501 -0.515 1.00 2.35 C ATOM 122 C GLU A 106 -10.411 -2.529 0.193 1.00 1.89 C ATOM 123 O GLU A 106 -9.751 -3.564 0.268 1.00 1.84 O ATOM 124 CB GLU A 106 -11.606 -1.799 -1.861 1.00 2.43 C ATOM 125 CG GLU A 106 -12.838 -1.870 -2.745 1.00 2.88 C ATOM 126 CD GLU A 106 -12.505 -2.336 -4.149 1.00 3.32 C ATOM 127 OE1 GLU A 106 -11.654 -1.699 -4.809 1.00 3.62 O ATOM 128 OE2 GLU A 106 -13.088 -3.344 -4.601 1.00 3.70 O ATOM 0 H GLU A 106 -13.132 -0.972 -0.102 1.00 2.53 H new ATOM 0 HA GLU A 106 -12.106 -3.520 -0.684 1.00 2.35 H new ATOM 0 HB2 GLU A 106 -11.359 -0.752 -1.686 1.00 2.43 H new ATOM 0 HB3 GLU A 106 -10.764 -2.240 -2.394 1.00 2.43 H new ATOM 0 HG2 GLU A 106 -13.564 -2.550 -2.300 1.00 2.88 H new ATOM 0 HG3 GLU A 106 -13.308 -0.888 -2.791 1.00 2.88 H new ATOM 135 N LEU A 107 -10.026 -1.378 0.733 1.00 1.63 N ATOM 136 CA LEU A 107 -8.762 -1.246 1.443 1.00 1.23 C ATOM 137 C LEU A 107 -8.731 -2.143 2.672 1.00 1.08 C ATOM 138 O LEU A 107 -7.755 -2.842 2.904 1.00 0.96 O ATOM 139 CB LEU A 107 -8.549 0.196 1.884 1.00 1.21 C ATOM 140 CG LEU A 107 -8.409 1.217 0.764 1.00 1.32 C ATOM 141 CD1 LEU A 107 -8.453 2.619 1.338 1.00 1.42 C ATOM 142 CD2 LEU A 107 -7.112 1.005 0.009 1.00 1.20 C ATOM 0 H LEU A 107 -10.575 -0.520 0.691 1.00 1.63 H new ATOM 0 HA LEU A 107 -7.968 -1.545 0.759 1.00 1.23 H new ATOM 0 HB2 LEU A 107 -9.387 0.490 2.516 1.00 1.21 H new ATOM 0 HB3 LEU A 107 -7.653 0.238 2.503 1.00 1.21 H new ATOM 0 HG LEU A 107 -9.238 1.088 0.068 1.00 1.32 H new ATOM 0 HD11 LEU A 107 -8.352 3.346 0.532 1.00 1.42 H new ATOM 0 HD12 LEU A 107 -9.403 2.773 1.849 1.00 1.42 H new ATOM 0 HD13 LEU A 107 -7.635 2.748 2.047 1.00 1.42 H new ATOM 0 HD21 LEU A 107 -7.030 1.744 -0.788 1.00 1.20 H new ATOM 0 HD22 LEU A 107 -6.271 1.114 0.693 1.00 1.20 H new ATOM 0 HD23 LEU A 107 -7.102 0.004 -0.422 1.00 1.20 H new ATOM 154 N MET A 108 -9.815 -2.130 3.442 1.00 1.27 N ATOM 155 CA MET A 108 -9.888 -2.926 4.669 1.00 1.26 C ATOM 156 C MET A 108 -9.860 -4.423 4.365 1.00 1.17 C ATOM 157 O MET A 108 -9.290 -5.204 5.125 1.00 1.13 O ATOM 158 CB MET A 108 -11.140 -2.572 5.490 1.00 1.64 C ATOM 159 CG MET A 108 -12.458 -2.988 4.866 1.00 1.96 C ATOM 160 SD MET A 108 -13.880 -2.558 5.890 1.00 2.39 S ATOM 161 CE MET A 108 -13.708 -0.777 6.000 1.00 2.67 C ATOM 0 H MET A 108 -10.652 -1.582 3.242 1.00 1.27 H new ATOM 0 HA MET A 108 -9.007 -2.682 5.263 1.00 1.26 H new ATOM 0 HB2 MET A 108 -11.057 -3.040 6.471 1.00 1.64 H new ATOM 0 HB3 MET A 108 -11.157 -1.494 5.652 1.00 1.64 H new ATOM 0 HG2 MET A 108 -12.560 -2.511 3.891 1.00 1.96 H new ATOM 0 HG3 MET A 108 -12.451 -4.065 4.695 1.00 1.96 H new ATOM 0 HE1 MET A 108 -14.691 -0.311 5.925 1.00 2.67 H new ATOM 0 HE2 MET A 108 -13.253 -0.514 6.955 1.00 2.67 H new ATOM 0 HE3 MET A 108 -13.075 -0.422 5.187 1.00 2.67 H new ATOM 171 N ALA A 109 -10.469 -4.824 3.256 1.00 1.27 N ATOM 172 CA ALA A 109 -10.488 -6.231 2.881 1.00 1.30 C ATOM 173 C ALA A 109 -9.099 -6.704 2.470 1.00 0.99 C ATOM 174 O ALA A 109 -8.640 -7.758 2.907 1.00 1.01 O ATOM 175 CB ALA A 109 -11.503 -6.479 1.774 1.00 1.60 C ATOM 0 H ALA A 109 -10.951 -4.202 2.607 1.00 1.27 H new ATOM 0 HA ALA A 109 -10.792 -6.812 3.752 1.00 1.30 H new ATOM 0 HB1 ALA A 109 -11.501 -7.536 1.509 1.00 1.60 H new ATOM 0 HB2 ALA A 109 -12.496 -6.194 2.120 1.00 1.60 H new ATOM 0 HB3 ALA A 109 -11.239 -5.885 0.899 1.00 1.60 H new ATOM 181 N GLU A 110 -8.429 -5.911 1.644 1.00 0.80 N ATOM 182 CA GLU A 110 -7.062 -6.233 1.237 1.00 0.62 C ATOM 183 C GLU A 110 -6.127 -6.137 2.443 1.00 0.45 C ATOM 184 O GLU A 110 -5.254 -6.973 2.645 1.00 0.55 O ATOM 185 CB GLU A 110 -6.590 -5.281 0.136 1.00 0.56 C ATOM 186 CG GLU A 110 -7.368 -5.404 -1.166 1.00 0.60 C ATOM 187 CD GLU A 110 -6.837 -4.475 -2.242 1.00 0.83 C ATOM 188 OE1 GLU A 110 -7.629 -4.001 -3.085 1.00 1.49 O ATOM 189 OE2 GLU A 110 -5.622 -4.213 -2.246 1.00 1.48 O ATOM 0 H GLU A 110 -8.802 -5.049 1.245 1.00 0.80 H new ATOM 0 HA GLU A 110 -7.045 -7.250 0.846 1.00 0.62 H new ATOM 0 HB2 GLU A 110 -6.668 -4.256 0.498 1.00 0.56 H new ATOM 0 HB3 GLU A 110 -5.535 -5.469 -0.064 1.00 0.56 H new ATOM 0 HG2 GLU A 110 -7.319 -6.433 -1.521 1.00 0.60 H new ATOM 0 HG3 GLU A 110 -8.419 -5.180 -0.982 1.00 0.60 H new ATOM 196 N LYS A 111 -6.358 -5.100 3.228 1.00 0.41 N ATOM 197 CA LYS A 111 -5.553 -4.875 4.430 1.00 0.46 C ATOM 198 C LYS A 111 -5.589 -6.080 5.367 1.00 0.47 C ATOM 199 O LYS A 111 -4.552 -6.612 5.747 1.00 0.52 O ATOM 200 CB LYS A 111 -6.040 -3.631 5.170 1.00 0.63 C ATOM 201 CG LYS A 111 -5.633 -3.585 6.632 1.00 0.79 C ATOM 202 CD LYS A 111 -6.289 -2.417 7.340 1.00 0.89 C ATOM 203 CE LYS A 111 -6.048 -2.447 8.837 1.00 1.15 C ATOM 204 NZ LYS A 111 -6.429 -3.752 9.440 1.00 1.89 N ATOM 0 H LYS A 111 -7.086 -4.404 3.064 1.00 0.41 H new ATOM 0 HA LYS A 111 -4.522 -4.727 4.110 1.00 0.46 H new ATOM 0 HB2 LYS A 111 -5.651 -2.746 4.667 1.00 0.63 H new ATOM 0 HB3 LYS A 111 -7.127 -3.583 5.104 1.00 0.63 H new ATOM 0 HG2 LYS A 111 -5.915 -4.517 7.122 1.00 0.79 H new ATOM 0 HG3 LYS A 111 -4.549 -3.500 6.709 1.00 0.79 H new ATOM 0 HD2 LYS A 111 -5.904 -1.483 6.930 1.00 0.89 H new ATOM 0 HD3 LYS A 111 -7.361 -2.432 7.146 1.00 0.89 H new ATOM 0 HE2 LYS A 111 -4.995 -2.249 9.038 1.00 1.15 H new ATOM 0 HE3 LYS A 111 -6.619 -1.649 9.311 1.00 1.15 H new ATOM 0 HZ1 LYS A 111 -6.673 -3.614 10.441 1.00 1.89 H new ATOM 0 HZ2 LYS A 111 -7.250 -4.142 8.934 1.00 1.89 H new ATOM 0 HZ3 LYS A 111 -5.631 -4.415 9.367 1.00 1.89 H new ATOM 218 N ASP A 112 -6.783 -6.520 5.718 1.00 0.49 N ATOM 219 CA ASP A 112 -6.939 -7.574 6.718 1.00 0.58 C ATOM 220 C ASP A 112 -6.687 -8.963 6.132 1.00 0.53 C ATOM 221 O ASP A 112 -6.642 -9.955 6.861 1.00 0.63 O ATOM 222 CB ASP A 112 -8.325 -7.498 7.364 1.00 0.72 C ATOM 223 CG ASP A 112 -8.399 -6.466 8.475 1.00 2.65 C ATOM 224 OD1 ASP A 112 -8.622 -6.854 9.644 1.00 3.03 O ATOM 225 OD2 ASP A 112 -8.236 -5.262 8.196 1.00 3.08 O ATOM 0 H ASP A 112 -7.659 -6.169 5.331 1.00 0.49 H new ATOM 0 HA ASP A 112 -6.184 -7.410 7.487 1.00 0.58 H new ATOM 0 HB2 ASP A 112 -9.064 -7.257 6.600 1.00 0.72 H new ATOM 0 HB3 ASP A 112 -8.588 -8.477 7.765 1.00 0.72 H new ATOM 230 N SER A 113 -6.531 -9.039 4.818 1.00 0.44 N ATOM 231 CA SER A 113 -6.256 -10.309 4.157 1.00 0.43 C ATOM 232 C SER A 113 -4.790 -10.418 3.732 1.00 0.35 C ATOM 233 O SER A 113 -4.310 -11.499 3.387 1.00 0.40 O ATOM 234 CB SER A 113 -7.166 -10.464 2.942 1.00 0.44 C ATOM 235 OG SER A 113 -8.529 -10.462 3.327 1.00 0.55 O ATOM 0 H SER A 113 -6.590 -8.238 4.189 1.00 0.44 H new ATOM 0 HA SER A 113 -6.454 -11.110 4.869 1.00 0.43 H new ATOM 0 HB2 SER A 113 -6.982 -9.652 2.239 1.00 0.44 H new ATOM 0 HB3 SER A 113 -6.932 -11.394 2.424 1.00 0.44 H new ATOM 0 HG SER A 113 -8.886 -9.552 3.261 1.00 0.55 H new ATOM 241 N LEU A 114 -4.090 -9.294 3.753 1.00 0.27 N ATOM 242 CA LEU A 114 -2.712 -9.232 3.285 1.00 0.23 C ATOM 243 C LEU A 114 -1.775 -9.893 4.293 1.00 0.27 C ATOM 244 O LEU A 114 -2.003 -9.828 5.502 1.00 0.31 O ATOM 245 CB LEU A 114 -2.317 -7.771 3.060 1.00 0.17 C ATOM 246 CG LEU A 114 -1.189 -7.535 2.053 1.00 0.14 C ATOM 247 CD1 LEU A 114 -1.659 -7.814 0.637 1.00 0.14 C ATOM 248 CD2 LEU A 114 -0.681 -6.114 2.150 1.00 0.16 C ATOM 0 H LEU A 114 -4.457 -8.405 4.092 1.00 0.27 H new ATOM 0 HA LEU A 114 -2.628 -9.773 2.343 1.00 0.23 H new ATOM 0 HB2 LEU A 114 -3.198 -7.223 2.726 1.00 0.17 H new ATOM 0 HB3 LEU A 114 -2.020 -7.343 4.017 1.00 0.17 H new ATOM 0 HG LEU A 114 -0.378 -8.222 2.294 1.00 0.14 H new ATOM 0 HD11 LEU A 114 -0.839 -7.639 -0.060 1.00 0.14 H new ATOM 0 HD12 LEU A 114 -1.986 -8.851 0.560 1.00 0.14 H new ATOM 0 HD13 LEU A 114 -2.490 -7.153 0.393 1.00 0.14 H new ATOM 0 HD21 LEU A 114 0.121 -5.964 1.427 1.00 0.16 H new ATOM 0 HD22 LEU A 114 -1.495 -5.421 1.938 1.00 0.16 H new ATOM 0 HD23 LEU A 114 -0.302 -5.931 3.155 1.00 0.16 H new ATOM 260 N ASP A 115 -0.744 -10.557 3.783 1.00 0.29 N ATOM 261 CA ASP A 115 0.227 -11.245 4.631 1.00 0.34 C ATOM 262 C ASP A 115 1.096 -10.232 5.373 1.00 0.33 C ATOM 263 O ASP A 115 1.653 -9.317 4.762 1.00 0.29 O ATOM 264 CB ASP A 115 1.110 -12.169 3.785 1.00 0.37 C ATOM 265 CG ASP A 115 1.957 -13.113 4.623 1.00 0.49 C ATOM 266 OD1 ASP A 115 1.699 -14.336 4.591 1.00 1.23 O ATOM 267 OD2 ASP A 115 2.882 -12.650 5.316 1.00 1.21 O ATOM 0 H ASP A 115 -0.557 -10.635 2.783 1.00 0.29 H new ATOM 0 HA ASP A 115 -0.316 -11.845 5.361 1.00 0.34 H new ATOM 0 HB2 ASP A 115 0.478 -12.754 3.116 1.00 0.37 H new ATOM 0 HB3 ASP A 115 1.764 -11.563 3.158 1.00 0.37 H new ATOM 272 N PRO A 116 1.231 -10.397 6.701 1.00 0.41 N ATOM 273 CA PRO A 116 1.973 -9.463 7.562 1.00 0.46 C ATOM 274 C PRO A 116 3.451 -9.349 7.203 1.00 0.42 C ATOM 275 O PRO A 116 4.130 -8.417 7.643 1.00 0.47 O ATOM 276 CB PRO A 116 1.810 -10.057 8.963 1.00 0.55 C ATOM 277 CG PRO A 116 1.499 -11.491 8.725 1.00 0.55 C ATOM 278 CD PRO A 116 0.667 -11.513 7.478 1.00 0.50 C ATOM 0 HA PRO A 116 1.590 -8.448 7.461 1.00 0.46 H new ATOM 0 HB2 PRO A 116 2.720 -9.941 9.552 1.00 0.55 H new ATOM 0 HB3 PRO A 116 1.009 -9.563 9.513 1.00 0.55 H new ATOM 0 HG2 PRO A 116 2.410 -12.076 8.600 1.00 0.55 H new ATOM 0 HG3 PRO A 116 0.957 -11.921 9.567 1.00 0.55 H new ATOM 0 HD2 PRO A 116 0.754 -12.462 6.948 1.00 0.50 H new ATOM 0 HD3 PRO A 116 -0.391 -11.364 7.693 1.00 0.50 H new ATOM 286 N SER A 117 3.959 -10.308 6.432 1.00 0.36 N ATOM 287 CA SER A 117 5.339 -10.267 5.975 1.00 0.37 C ATOM 288 C SER A 117 5.583 -9.005 5.144 1.00 0.38 C ATOM 289 O SER A 117 6.707 -8.503 5.066 1.00 0.56 O ATOM 290 CB SER A 117 5.668 -11.520 5.154 1.00 0.37 C ATOM 291 OG SER A 117 7.025 -11.537 4.747 1.00 1.30 O ATOM 0 H SER A 117 3.433 -11.121 6.113 1.00 0.36 H new ATOM 0 HA SER A 117 5.994 -10.243 6.846 1.00 0.37 H new ATOM 0 HB2 SER A 117 5.454 -12.410 5.746 1.00 0.37 H new ATOM 0 HB3 SER A 117 5.024 -11.559 4.276 1.00 0.37 H new ATOM 0 HG SER A 117 7.201 -12.349 4.228 1.00 1.30 H new ATOM 297 N PHE A 118 4.523 -8.489 4.537 1.00 0.28 N ATOM 298 CA PHE A 118 4.616 -7.277 3.739 1.00 0.32 C ATOM 299 C PHE A 118 4.283 -6.072 4.603 1.00 0.44 C ATOM 300 O PHE A 118 3.166 -5.563 4.578 1.00 0.94 O ATOM 301 CB PHE A 118 3.668 -7.347 2.547 1.00 0.27 C ATOM 302 CG PHE A 118 3.862 -8.565 1.700 1.00 0.23 C ATOM 303 CD1 PHE A 118 4.639 -8.509 0.561 1.00 1.22 C ATOM 304 CD2 PHE A 118 3.264 -9.766 2.044 1.00 1.21 C ATOM 305 CE1 PHE A 118 4.811 -9.625 -0.227 1.00 1.21 C ATOM 306 CE2 PHE A 118 3.435 -10.887 1.262 1.00 1.23 C ATOM 307 CZ PHE A 118 4.213 -10.818 0.124 1.00 0.28 C ATOM 0 H PHE A 118 3.587 -8.893 4.583 1.00 0.28 H new ATOM 0 HA PHE A 118 5.634 -7.180 3.362 1.00 0.32 H new ATOM 0 HB2 PHE A 118 2.640 -7.326 2.909 1.00 0.27 H new ATOM 0 HB3 PHE A 118 3.807 -6.459 1.930 1.00 0.27 H new ATOM 0 HD1 PHE A 118 5.117 -7.581 0.285 1.00 1.22 H new ATOM 0 HD2 PHE A 118 2.657 -9.824 2.935 1.00 1.21 H new ATOM 0 HE1 PHE A 118 5.415 -9.567 -1.121 1.00 1.21 H new ATOM 0 HE2 PHE A 118 2.962 -11.817 1.539 1.00 1.23 H new ATOM 0 HZ PHE A 118 4.353 -11.695 -0.490 1.00 0.28 H new ATOM 317 N THR A 119 5.273 -5.609 5.345 1.00 0.39 N ATOM 318 CA THR A 119 5.072 -4.555 6.325 1.00 0.39 C ATOM 319 C THR A 119 4.555 -3.269 5.688 1.00 0.42 C ATOM 320 O THR A 119 3.540 -2.724 6.117 1.00 0.45 O ATOM 321 CB THR A 119 6.378 -4.266 7.077 1.00 0.44 C ATOM 322 OG1 THR A 119 6.815 -5.451 7.757 1.00 0.48 O ATOM 323 CG2 THR A 119 6.193 -3.134 8.075 1.00 0.45 C ATOM 0 H THR A 119 6.233 -5.950 5.287 1.00 0.39 H new ATOM 0 HA THR A 119 4.316 -4.911 7.025 1.00 0.39 H new ATOM 0 HB THR A 119 7.133 -3.961 6.353 1.00 0.44 H new ATOM 0 HG1 THR A 119 7.650 -5.265 8.235 1.00 0.48 H new ATOM 0 HG21 THR A 119 7.133 -2.949 8.594 1.00 0.45 H new ATOM 0 HG22 THR A 119 5.886 -2.231 7.548 1.00 0.45 H new ATOM 0 HG23 THR A 119 5.426 -3.409 8.799 1.00 0.45 H new ATOM 331 N HIS A 120 5.243 -2.791 4.661 1.00 0.44 N ATOM 332 CA HIS A 120 4.890 -1.523 4.043 1.00 0.51 C ATOM 333 C HIS A 120 3.576 -1.633 3.289 1.00 0.47 C ATOM 334 O HIS A 120 2.769 -0.709 3.304 1.00 0.57 O ATOM 335 CB HIS A 120 5.998 -1.045 3.118 1.00 0.60 C ATOM 336 CG HIS A 120 7.284 -0.764 3.830 1.00 0.92 C ATOM 337 ND1 HIS A 120 7.377 0.064 4.929 1.00 1.09 N ATOM 338 CD2 HIS A 120 8.533 -1.229 3.606 1.00 1.19 C ATOM 339 CE1 HIS A 120 8.628 0.093 5.346 1.00 1.40 C ATOM 340 NE2 HIS A 120 9.352 -0.684 4.562 1.00 1.47 N ATOM 0 H HIS A 120 6.045 -3.260 4.240 1.00 0.44 H new ATOM 0 HA HIS A 120 4.766 -0.787 4.837 1.00 0.51 H new ATOM 0 HB2 HIS A 120 6.173 -1.800 2.351 1.00 0.60 H new ATOM 0 HB3 HIS A 120 5.669 -0.141 2.606 1.00 0.60 H new ATOM 0 HD2 HIS A 120 8.832 -1.905 2.819 1.00 1.19 H new ATOM 0 HE1 HIS A 120 8.998 0.658 6.188 1.00 1.40 H new ATOM 0 HE2 HIS A 120 10.354 -0.851 4.652 1.00 1.47 H new ATOM 349 N ALA A 121 3.365 -2.768 2.635 1.00 0.37 N ATOM 350 CA ALA A 121 2.116 -3.032 1.936 1.00 0.34 C ATOM 351 C ALA A 121 0.945 -2.965 2.898 1.00 0.38 C ATOM 352 O ALA A 121 -0.095 -2.377 2.602 1.00 0.47 O ATOM 353 CB ALA A 121 2.173 -4.389 1.259 1.00 0.27 C ATOM 0 H ALA A 121 4.047 -3.524 2.575 1.00 0.37 H new ATOM 0 HA ALA A 121 1.974 -2.268 1.172 1.00 0.34 H new ATOM 0 HB1 ALA A 121 1.233 -4.576 0.739 1.00 0.27 H new ATOM 0 HB2 ALA A 121 2.994 -4.404 0.542 1.00 0.27 H new ATOM 0 HB3 ALA A 121 2.333 -5.163 2.009 1.00 0.27 H new ATOM 359 N MET A 122 1.148 -3.544 4.063 1.00 0.35 N ATOM 360 CA MET A 122 0.137 -3.533 5.108 1.00 0.34 C ATOM 361 C MET A 122 0.003 -2.137 5.703 1.00 0.39 C ATOM 362 O MET A 122 -1.094 -1.689 6.045 1.00 0.41 O ATOM 363 CB MET A 122 0.483 -4.545 6.193 1.00 0.37 C ATOM 364 CG MET A 122 0.520 -5.973 5.699 1.00 0.38 C ATOM 365 SD MET A 122 -0.125 -7.128 6.912 1.00 0.49 S ATOM 366 CE MET A 122 -1.852 -6.687 6.851 1.00 0.63 C ATOM 0 H MET A 122 2.008 -4.032 4.314 1.00 0.35 H new ATOM 0 HA MET A 122 -0.820 -3.813 4.668 1.00 0.34 H new ATOM 0 HB2 MET A 122 1.454 -4.291 6.618 1.00 0.37 H new ATOM 0 HB3 MET A 122 -0.248 -4.467 6.998 1.00 0.37 H new ATOM 0 HG2 MET A 122 -0.060 -6.053 4.780 1.00 0.38 H new ATOM 0 HG3 MET A 122 1.547 -6.244 5.452 1.00 0.38 H new ATOM 0 HE1 MET A 122 -2.116 -6.126 7.747 1.00 0.63 H new ATOM 0 HE2 MET A 122 -2.040 -6.073 5.970 1.00 0.63 H new ATOM 0 HE3 MET A 122 -2.457 -7.592 6.798 1.00 0.63 H new ATOM 376 N GLN A 123 1.132 -1.455 5.807 1.00 0.44 N ATOM 377 CA GLN A 123 1.176 -0.114 6.369 1.00 0.53 C ATOM 378 C GLN A 123 0.489 0.901 5.458 1.00 0.54 C ATOM 379 O GLN A 123 -0.290 1.729 5.931 1.00 0.62 O ATOM 380 CB GLN A 123 2.626 0.283 6.666 1.00 0.65 C ATOM 381 CG GLN A 123 2.865 1.778 6.796 1.00 0.83 C ATOM 382 CD GLN A 123 4.335 2.112 6.968 1.00 1.12 C ATOM 383 OE1 GLN A 123 5.212 1.405 6.458 1.00 1.60 O ATOM 384 NE2 GLN A 123 4.618 3.185 7.688 1.00 1.76 N ATOM 0 H GLN A 123 2.039 -1.812 5.506 1.00 0.44 H new ATOM 0 HA GLN A 123 0.622 -0.116 7.307 1.00 0.53 H new ATOM 0 HB2 GLN A 123 2.938 -0.202 7.591 1.00 0.65 H new ATOM 0 HB3 GLN A 123 3.264 -0.105 5.872 1.00 0.65 H new ATOM 0 HG2 GLN A 123 2.481 2.284 5.910 1.00 0.83 H new ATOM 0 HG3 GLN A 123 2.305 2.161 7.649 1.00 0.83 H new ATOM 0 HE21 GLN A 123 3.865 3.742 8.092 1.00 1.76 H new ATOM 0 HE22 GLN A 123 5.590 3.456 7.840 1.00 1.76 H new ATOM 393 N LEU A 124 0.756 0.837 4.164 1.00 0.49 N ATOM 394 CA LEU A 124 0.177 1.792 3.228 1.00 0.50 C ATOM 395 C LEU A 124 -1.333 1.598 3.125 1.00 0.45 C ATOM 396 O LEU A 124 -2.084 2.568 3.005 1.00 0.52 O ATOM 397 CB LEU A 124 0.863 1.693 1.867 1.00 0.50 C ATOM 398 CG LEU A 124 2.356 2.035 1.883 1.00 0.56 C ATOM 399 CD1 LEU A 124 3.025 1.572 0.599 1.00 0.49 C ATOM 400 CD2 LEU A 124 2.554 3.530 2.071 1.00 0.83 C ATOM 0 H LEU A 124 1.366 0.139 3.738 1.00 0.49 H new ATOM 0 HA LEU A 124 0.347 2.801 3.604 1.00 0.50 H new ATOM 0 HB2 LEU A 124 0.739 0.680 1.484 1.00 0.50 H new ATOM 0 HB3 LEU A 124 0.357 2.361 1.170 1.00 0.50 H new ATOM 0 HG LEU A 124 2.819 1.513 2.720 1.00 0.56 H new ATOM 0 HD11 LEU A 124 4.085 1.824 0.630 1.00 0.49 H new ATOM 0 HD12 LEU A 124 2.911 0.493 0.498 1.00 0.49 H new ATOM 0 HD13 LEU A 124 2.559 2.067 -0.253 1.00 0.49 H new ATOM 0 HD21 LEU A 124 3.620 3.758 2.080 1.00 0.83 H new ATOM 0 HD22 LEU A 124 2.076 4.066 1.251 1.00 0.83 H new ATOM 0 HD23 LEU A 124 2.109 3.840 3.016 1.00 0.83 H new ATOM 412 N LEU A 125 -1.769 0.341 3.198 1.00 0.37 N ATOM 413 CA LEU A 125 -3.198 0.028 3.213 1.00 0.35 C ATOM 414 C LEU A 125 -3.834 0.631 4.454 1.00 0.46 C ATOM 415 O LEU A 125 -4.935 1.171 4.405 1.00 0.52 O ATOM 416 CB LEU A 125 -3.424 -1.486 3.223 1.00 0.28 C ATOM 417 CG LEU A 125 -3.330 -2.189 1.876 1.00 0.25 C ATOM 418 CD1 LEU A 125 -3.291 -3.690 2.089 1.00 0.21 C ATOM 419 CD2 LEU A 125 -4.520 -1.816 1.004 1.00 0.33 C ATOM 0 H LEU A 125 -1.157 -0.474 3.247 1.00 0.37 H new ATOM 0 HA LEU A 125 -3.652 0.446 2.314 1.00 0.35 H new ATOM 0 HB2 LEU A 125 -2.695 -1.937 3.896 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -4.410 -1.682 3.644 1.00 0.28 H new ATOM 0 HG LEU A 125 -2.417 -1.873 1.371 1.00 0.25 H new ATOM 0 HD11 LEU A 125 -3.224 -4.193 1.124 1.00 0.21 H new ATOM 0 HD12 LEU A 125 -2.423 -3.949 2.695 1.00 0.21 H new ATOM 0 HD13 LEU A 125 -4.199 -4.008 2.602 1.00 0.21 H new ATOM 0 HD21 LEU A 125 -4.441 -2.325 0.043 1.00 0.33 H new ATOM 0 HD22 LEU A 125 -5.443 -2.117 1.500 1.00 0.33 H new ATOM 0 HD23 LEU A 125 -4.530 -0.738 0.843 1.00 0.33 H new ATOM 431 N THR A 126 -3.107 0.563 5.554 1.00 0.55 N ATOM 432 CA THR A 126 -3.617 1.066 6.814 1.00 0.74 C ATOM 433 C THR A 126 -3.745 2.587 6.763 1.00 0.92 C ATOM 434 O THR A 126 -4.774 3.156 7.133 1.00 1.07 O ATOM 435 CB THR A 126 -2.700 0.653 7.981 1.00 0.81 C ATOM 436 OG1 THR A 126 -2.680 -0.776 8.103 1.00 0.86 O ATOM 437 CG2 THR A 126 -3.159 1.280 9.287 1.00 0.91 C ATOM 0 H THR A 126 -2.168 0.167 5.600 1.00 0.55 H new ATOM 0 HA THR A 126 -4.603 0.631 6.980 1.00 0.74 H new ATOM 0 HB THR A 126 -1.693 1.013 7.768 1.00 0.81 H new ATOM 0 HG1 THR A 126 -2.077 -1.153 7.429 1.00 0.86 H new ATOM 0 HG21 THR A 126 -2.493 0.971 10.093 1.00 0.91 H new ATOM 0 HG22 THR A 126 -3.139 2.366 9.196 1.00 0.91 H new ATOM 0 HG23 THR A 126 -4.175 0.953 9.510 1.00 0.91 H new ATOM 445 N ALA A 127 -2.697 3.229 6.260 1.00 0.96 N ATOM 446 CA ALA A 127 -2.629 4.679 6.193 1.00 1.09 C ATOM 447 C ALA A 127 -3.733 5.274 5.322 1.00 1.18 C ATOM 448 O ALA A 127 -4.327 6.294 5.674 1.00 1.38 O ATOM 449 CB ALA A 127 -1.267 5.090 5.671 1.00 1.18 C ATOM 0 H ALA A 127 -1.873 2.757 5.888 1.00 0.96 H new ATOM 0 HA ALA A 127 -2.778 5.069 7.200 1.00 1.09 H new ATOM 0 HB1 ALA A 127 -1.210 6.177 5.619 1.00 1.18 H new ATOM 0 HB2 ALA A 127 -0.493 4.718 6.342 1.00 1.18 H new ATOM 0 HB3 ALA A 127 -1.117 4.671 4.676 1.00 1.18 H new ATOM 455 N GLU A 128 -3.982 4.660 4.167 1.00 1.13 N ATOM 456 CA GLU A 128 -5.020 5.150 3.263 1.00 1.31 C ATOM 457 C GLU A 128 -6.394 5.028 3.900 1.00 1.38 C ATOM 458 O GLU A 128 -7.239 5.913 3.761 1.00 1.61 O ATOM 459 CB GLU A 128 -5.003 4.398 1.940 1.00 1.35 C ATOM 460 CG GLU A 128 -5.853 5.073 0.879 1.00 1.47 C ATOM 461 CD GLU A 128 -5.388 6.488 0.588 1.00 1.46 C ATOM 462 OE1 GLU A 128 -4.169 6.758 0.709 1.00 2.02 O ATOM 463 OE2 GLU A 128 -6.237 7.341 0.252 1.00 1.95 O ATOM 0 H GLU A 128 -3.486 3.832 3.838 1.00 1.13 H new ATOM 0 HA GLU A 128 -4.809 6.201 3.068 1.00 1.31 H new ATOM 0 HB2 GLU A 128 -3.976 4.320 1.583 1.00 1.35 H new ATOM 0 HB3 GLU A 128 -5.364 3.382 2.098 1.00 1.35 H new ATOM 0 HG2 GLU A 128 -5.820 4.486 -0.039 1.00 1.47 H new ATOM 0 HG3 GLU A 128 -6.892 5.094 1.207 1.00 1.47 H new ATOM 470 N ILE A 129 -6.591 3.943 4.628 1.00 1.24 N ATOM 471 CA ILE A 129 -7.835 3.734 5.346 1.00 1.42 C ATOM 472 C ILE A 129 -8.028 4.827 6.380 1.00 1.64 C ATOM 473 O ILE A 129 -9.135 5.346 6.559 1.00 1.92 O ATOM 474 CB ILE A 129 -7.870 2.352 6.023 1.00 1.32 C ATOM 475 CG1 ILE A 129 -7.934 1.272 4.950 1.00 1.14 C ATOM 476 CG2 ILE A 129 -9.054 2.238 6.977 1.00 1.59 C ATOM 477 CD1 ILE A 129 -7.769 -0.127 5.480 1.00 1.01 C ATOM 0 H ILE A 129 -5.907 3.195 4.737 1.00 1.24 H new ATOM 0 HA ILE A 129 -8.650 3.772 4.623 1.00 1.42 H new ATOM 0 HB ILE A 129 -6.963 2.222 6.614 1.00 1.32 H new ATOM 0 HG12 ILE A 129 -8.891 1.343 4.434 1.00 1.14 H new ATOM 0 HG13 ILE A 129 -7.157 1.463 4.210 1.00 1.14 H new ATOM 0 HG21 ILE A 129 -9.054 1.252 7.441 1.00 1.59 H new ATOM 0 HG22 ILE A 129 -8.974 3.003 7.750 1.00 1.59 H new ATOM 0 HG23 ILE A 129 -9.982 2.378 6.423 1.00 1.59 H new ATOM 0 HD11 ILE A 129 -7.826 -0.838 4.655 1.00 1.01 H new ATOM 0 HD12 ILE A 129 -6.800 -0.218 5.971 1.00 1.01 H new ATOM 0 HD13 ILE A 129 -8.561 -0.340 6.198 1.00 1.01 H new ATOM 489 N GLU A 130 -6.934 5.191 7.039 1.00 1.56 N ATOM 490 CA GLU A 130 -6.944 6.274 8.002 1.00 1.76 C ATOM 491 C GLU A 130 -7.452 7.547 7.349 1.00 1.94 C ATOM 492 O GLU A 130 -8.301 8.221 7.906 1.00 2.19 O ATOM 493 CB GLU A 130 -5.545 6.538 8.549 1.00 1.67 C ATOM 494 CG GLU A 130 -4.975 5.449 9.429 1.00 1.60 C ATOM 495 CD GLU A 130 -3.620 5.845 9.964 1.00 1.81 C ATOM 496 OE1 GLU A 130 -3.536 6.883 10.658 1.00 2.25 O ATOM 497 OE2 GLU A 130 -2.628 5.147 9.677 1.00 2.15 O ATOM 0 H GLU A 130 -6.025 4.745 6.919 1.00 1.56 H new ATOM 0 HA GLU A 130 -7.600 5.980 8.821 1.00 1.76 H new ATOM 0 HB2 GLU A 130 -4.868 6.693 7.709 1.00 1.67 H new ATOM 0 HB3 GLU A 130 -5.566 7.468 9.118 1.00 1.67 H new ATOM 0 HG2 GLU A 130 -5.655 5.252 10.258 1.00 1.60 H new ATOM 0 HG3 GLU A 130 -4.890 4.523 8.860 1.00 1.60 H new ATOM 504 N LYS A 131 -6.958 7.851 6.151 1.00 1.85 N ATOM 505 CA LYS A 131 -7.299 9.105 5.481 1.00 2.07 C ATOM 506 C LYS A 131 -8.798 9.205 5.245 1.00 2.28 C ATOM 507 O LYS A 131 -9.411 10.230 5.538 1.00 2.54 O ATOM 508 CB LYS A 131 -6.579 9.239 4.135 1.00 2.03 C ATOM 509 CG LYS A 131 -5.065 9.110 4.199 1.00 2.33 C ATOM 510 CD LYS A 131 -4.444 9.476 2.861 1.00 2.59 C ATOM 511 CE LYS A 131 -2.956 9.160 2.812 1.00 3.17 C ATOM 512 NZ LYS A 131 -2.700 7.697 2.735 1.00 3.73 N ATOM 0 H LYS A 131 -6.323 7.250 5.626 1.00 1.85 H new ATOM 0 HA LYS A 131 -6.976 9.911 6.139 1.00 2.07 H new ATOM 0 HB2 LYS A 131 -6.965 8.478 3.457 1.00 2.03 H new ATOM 0 HB3 LYS A 131 -6.828 10.208 3.702 1.00 2.03 H new ATOM 0 HG2 LYS A 131 -4.671 9.761 4.980 1.00 2.33 H new ATOM 0 HG3 LYS A 131 -4.792 8.089 4.467 1.00 2.33 H new ATOM 0 HD2 LYS A 131 -4.955 8.934 2.065 1.00 2.59 H new ATOM 0 HD3 LYS A 131 -4.594 10.539 2.671 1.00 2.59 H new ATOM 0 HE2 LYS A 131 -2.509 9.652 1.948 1.00 3.17 H new ATOM 0 HE3 LYS A 131 -2.469 9.567 3.698 1.00 3.17 H new ATOM 0 HZ1 LYS A 131 -1.704 7.532 2.484 1.00 3.73 H new ATOM 0 HZ2 LYS A 131 -2.901 7.260 3.657 1.00 3.73 H new ATOM 0 HZ3 LYS A 131 -3.315 7.275 2.010 1.00 3.73 H new ATOM 526 N ILE A 132 -9.382 8.125 4.743 1.00 2.21 N ATOM 527 CA ILE A 132 -10.804 8.101 4.434 1.00 2.47 C ATOM 528 C ILE A 132 -11.635 8.218 5.703 1.00 2.68 C ATOM 529 O ILE A 132 -12.632 8.940 5.749 1.00 2.98 O ATOM 530 CB ILE A 132 -11.193 6.804 3.702 1.00 2.40 C ATOM 531 CG1 ILE A 132 -10.187 6.505 2.591 1.00 2.18 C ATOM 532 CG2 ILE A 132 -12.604 6.915 3.134 1.00 2.72 C ATOM 533 CD1 ILE A 132 -10.520 5.271 1.791 1.00 2.19 C ATOM 0 H ILE A 132 -8.892 7.254 4.541 1.00 2.21 H new ATOM 0 HA ILE A 132 -11.007 8.953 3.785 1.00 2.47 H new ATOM 0 HB ILE A 132 -11.177 5.980 4.416 1.00 2.40 H new ATOM 0 HG12 ILE A 132 -10.136 7.361 1.918 1.00 2.18 H new ATOM 0 HG13 ILE A 132 -9.197 6.386 3.031 1.00 2.18 H new ATOM 0 HG21 ILE A 132 -12.863 5.990 2.620 1.00 2.72 H new ATOM 0 HG22 ILE A 132 -13.310 7.089 3.946 1.00 2.72 H new ATOM 0 HG23 ILE A 132 -12.648 7.746 2.430 1.00 2.72 H new ATOM 0 HD11 ILE A 132 -9.763 5.121 1.021 1.00 2.19 H new ATOM 0 HD12 ILE A 132 -10.542 4.404 2.451 1.00 2.19 H new ATOM 0 HD13 ILE A 132 -11.496 5.394 1.321 1.00 2.19 H new ATOM 545 N GLN A 133 -11.218 7.499 6.734 1.00 2.56 N ATOM 546 CA GLN A 133 -11.947 7.486 7.992 1.00 2.81 C ATOM 547 C GLN A 133 -11.747 8.783 8.785 1.00 2.98 C ATOM 548 O GLN A 133 -12.701 9.332 9.337 1.00 3.27 O ATOM 549 CB GLN A 133 -11.533 6.281 8.838 1.00 2.72 C ATOM 550 CG GLN A 133 -12.021 4.951 8.284 1.00 2.73 C ATOM 551 CD GLN A 133 -11.891 3.823 9.287 1.00 2.94 C ATOM 552 OE1 GLN A 133 -11.965 4.037 10.496 1.00 3.49 O ATOM 553 NE2 GLN A 133 -11.712 2.613 8.791 1.00 2.90 N ATOM 0 H GLN A 133 -10.380 6.918 6.724 1.00 2.56 H new ATOM 0 HA GLN A 133 -13.007 7.407 7.751 1.00 2.81 H new ATOM 0 HB2 GLN A 133 -10.446 6.257 8.913 1.00 2.72 H new ATOM 0 HB3 GLN A 133 -11.920 6.408 9.849 1.00 2.72 H new ATOM 0 HG2 GLN A 133 -13.064 5.047 7.983 1.00 2.73 H new ATOM 0 HG3 GLN A 133 -11.452 4.704 7.388 1.00 2.73 H new ATOM 0 HE21 GLN A 133 -11.656 2.479 7.781 1.00 2.90 H new ATOM 0 HE22 GLN A 133 -11.630 1.812 9.417 1.00 2.90 H new ATOM 562 N LYS A 134 -10.514 9.279 8.825 1.00 2.82 N ATOM 563 CA LYS A 134 -10.190 10.442 9.650 1.00 3.02 C ATOM 564 C LYS A 134 -10.671 11.736 9.001 1.00 3.29 C ATOM 565 O LYS A 134 -11.182 12.625 9.685 1.00 3.54 O ATOM 566 CB LYS A 134 -8.679 10.517 9.948 1.00 2.88 C ATOM 567 CG LYS A 134 -7.809 10.986 8.789 1.00 2.85 C ATOM 568 CD LYS A 134 -6.334 11.019 9.177 1.00 2.90 C ATOM 569 CE LYS A 134 -5.865 9.669 9.697 1.00 3.30 C ATOM 570 NZ LYS A 134 -4.403 9.637 9.976 1.00 3.82 N ATOM 0 H LYS A 134 -9.727 8.898 8.300 1.00 2.82 H new ATOM 0 HA LYS A 134 -10.717 10.321 10.597 1.00 3.02 H new ATOM 0 HB2 LYS A 134 -8.525 11.190 10.792 1.00 2.88 H new ATOM 0 HB3 LYS A 134 -8.338 9.530 10.261 1.00 2.88 H new ATOM 0 HG2 LYS A 134 -7.947 10.321 7.936 1.00 2.85 H new ATOM 0 HG3 LYS A 134 -8.126 11.980 8.473 1.00 2.85 H new ATOM 0 HD2 LYS A 134 -5.735 11.305 8.312 1.00 2.90 H new ATOM 0 HD3 LYS A 134 -6.174 11.780 9.941 1.00 2.90 H new ATOM 0 HE2 LYS A 134 -6.410 9.426 10.609 1.00 3.30 H new ATOM 0 HE3 LYS A 134 -6.108 8.898 8.966 1.00 3.30 H new ATOM 0 HZ1 LYS A 134 -4.116 8.666 10.213 1.00 3.82 H new ATOM 0 HZ2 LYS A 134 -3.882 9.956 9.134 1.00 3.82 H new ATOM 0 HZ3 LYS A 134 -4.188 10.267 10.775 1.00 3.82 H new ATOM 584 N GLY A 135 -10.530 11.832 7.686 1.00 3.29 N ATOM 585 CA GLY A 135 -10.898 13.046 6.993 1.00 3.59 C ATOM 586 C GLY A 135 -9.717 13.982 6.838 1.00 4.02 C ATOM 587 O GLY A 135 -9.698 14.770 5.871 1.00 4.46 O ATOM 588 OXT GLY A 135 -8.788 13.922 7.673 1.00 4.40 O ATOM 0 H GLY A 135 -10.167 11.089 7.088 1.00 3.29 H new ATOM 0 HA2 GLY A 135 -11.297 12.797 6.010 1.00 3.59 H new ATOM 0 HA3 GLY A 135 -11.693 13.551 7.541 1.00 3.59 H new TER 592 GLY A 135 ATOM 593 N PRO B 99 17.132 2.896 6.692 1.00 4.97 N ATOM 594 CA PRO B 99 17.674 4.103 6.086 1.00 4.83 C ATOM 595 C PRO B 99 16.769 4.609 4.966 1.00 4.33 C ATOM 596 O PRO B 99 16.011 3.846 4.362 1.00 4.07 O ATOM 597 CB PRO B 99 19.047 3.686 5.550 1.00 5.14 C ATOM 598 CG PRO B 99 19.067 2.195 5.559 1.00 5.27 C ATOM 599 CD PRO B 99 18.021 1.738 6.536 1.00 5.29 C ATOM 0 HA PRO B 99 17.748 4.925 6.798 1.00 4.83 H new ATOM 0 HB2 PRO B 99 19.204 4.070 4.542 1.00 5.14 H new ATOM 0 HB3 PRO B 99 19.846 4.089 6.173 1.00 5.14 H new ATOM 0 HG2 PRO B 99 18.860 1.802 4.563 1.00 5.27 H new ATOM 0 HG3 PRO B 99 20.051 1.826 5.849 1.00 5.27 H new ATOM 0 HD2 PRO B 99 17.480 0.870 6.160 1.00 5.29 H new ATOM 0 HD3 PRO B 99 18.466 1.449 7.488 1.00 5.29 H new ATOM 607 N GLU B 100 16.884 5.897 4.692 1.00 4.31 N ATOM 608 CA GLU B 100 15.893 6.632 3.914 1.00 4.02 C ATOM 609 C GLU B 100 15.746 6.109 2.494 1.00 3.83 C ATOM 610 O GLU B 100 14.645 6.122 1.942 1.00 3.64 O ATOM 611 CB GLU B 100 16.251 8.114 3.887 1.00 4.28 C ATOM 612 CG GLU B 100 15.226 8.986 3.181 1.00 4.51 C ATOM 613 CD GLU B 100 15.618 10.447 3.166 1.00 4.77 C ATOM 614 OE1 GLU B 100 15.237 11.177 4.106 1.00 4.99 O ATOM 615 OE2 GLU B 100 16.311 10.875 2.217 1.00 5.14 O ATOM 0 H GLU B 100 17.670 6.468 5.003 1.00 4.31 H new ATOM 0 HA GLU B 100 14.931 6.486 4.406 1.00 4.02 H new ATOM 0 HB2 GLU B 100 16.369 8.467 4.911 1.00 4.28 H new ATOM 0 HB3 GLU B 100 17.216 8.235 3.395 1.00 4.28 H new ATOM 0 HG2 GLU B 100 15.101 8.636 2.156 1.00 4.51 H new ATOM 0 HG3 GLU B 100 14.260 8.878 3.675 1.00 4.51 H new ATOM 622 N ASN B 101 16.830 5.640 1.895 1.00 4.05 N ATOM 623 CA ASN B 101 16.795 5.176 0.523 1.00 4.09 C ATOM 624 C ASN B 101 16.381 3.717 0.469 1.00 3.98 C ATOM 625 O ASN B 101 15.567 3.332 -0.366 1.00 4.07 O ATOM 626 CB ASN B 101 18.152 5.377 -0.160 1.00 4.55 C ATOM 627 CG ASN B 101 18.173 4.861 -1.589 1.00 4.75 C ATOM 628 OD1 ASN B 101 18.518 3.704 -1.840 1.00 5.19 O ATOM 629 ND2 ASN B 101 17.813 5.710 -2.536 1.00 4.68 N ATOM 0 H ASN B 101 17.745 5.572 2.341 1.00 4.05 H new ATOM 0 HA ASN B 101 16.056 5.768 -0.017 1.00 4.09 H new ATOM 0 HB2 ASN B 101 18.401 6.438 -0.158 1.00 4.55 H new ATOM 0 HB3 ASN B 101 18.923 4.867 0.417 1.00 4.55 H new ATOM 0 HD21 ASN B 101 17.815 5.415 -3.513 1.00 4.68 H new ATOM 0 HD22 ASN B 101 17.534 6.660 -2.290 1.00 4.68 H new ATOM 636 N LYS B 102 16.954 2.903 1.358 1.00 3.93 N ATOM 637 CA LYS B 102 16.632 1.476 1.458 1.00 3.87 C ATOM 638 C LYS B 102 15.139 1.229 1.685 1.00 3.43 C ATOM 639 O LYS B 102 14.680 0.092 1.613 1.00 3.32 O ATOM 640 CB LYS B 102 17.430 0.817 2.583 1.00 4.20 C ATOM 641 CG LYS B 102 18.760 0.222 2.139 1.00 4.62 C ATOM 642 CD LYS B 102 19.720 1.276 1.617 1.00 5.18 C ATOM 643 CE LYS B 102 21.029 0.647 1.166 1.00 5.68 C ATOM 644 NZ LYS B 102 22.001 1.661 0.689 1.00 6.27 N ATOM 0 H LYS B 102 17.655 3.214 2.030 1.00 3.93 H new ATOM 0 HA LYS B 102 16.906 1.030 0.502 1.00 3.87 H new ATOM 0 HB2 LYS B 102 17.617 1.556 3.362 1.00 4.20 H new ATOM 0 HB3 LYS B 102 16.824 0.029 3.030 1.00 4.20 H new ATOM 0 HG2 LYS B 102 19.219 -0.300 2.978 1.00 4.62 H new ATOM 0 HG3 LYS B 102 18.581 -0.520 1.361 1.00 4.62 H new ATOM 0 HD2 LYS B 102 19.262 1.809 0.783 1.00 5.18 H new ATOM 0 HD3 LYS B 102 19.916 2.012 2.397 1.00 5.18 H new ATOM 0 HE2 LYS B 102 21.466 0.088 1.993 1.00 5.68 H new ATOM 0 HE3 LYS B 102 20.831 -0.068 0.368 1.00 5.68 H new ATOM 0 HZ1 LYS B 102 22.878 1.188 0.392 1.00 6.27 H new ATOM 0 HZ2 LYS B 102 21.596 2.178 -0.117 1.00 6.27 H new ATOM 0 HZ3 LYS B 102 22.211 2.329 1.458 1.00 6.27 H new ATOM 658 N TYR B 103 14.387 2.279 1.979 1.00 3.24 N ATOM 659 CA TYR B 103 12.935 2.213 2.017 1.00 2.85 C ATOM 660 C TYR B 103 12.381 1.796 0.645 1.00 2.56 C ATOM 661 O TYR B 103 11.371 1.099 0.557 1.00 2.28 O ATOM 662 CB TYR B 103 12.388 3.588 2.429 1.00 2.82 C ATOM 663 CG TYR B 103 10.877 3.680 2.471 1.00 2.56 C ATOM 664 CD1 TYR B 103 10.134 2.979 3.413 1.00 2.69 C ATOM 665 CD2 TYR B 103 10.196 4.476 1.563 1.00 2.76 C ATOM 666 CE1 TYR B 103 8.755 3.074 3.445 1.00 2.58 C ATOM 667 CE2 TYR B 103 8.821 4.579 1.586 1.00 2.65 C ATOM 668 CZ TYR B 103 8.103 3.873 2.529 1.00 2.31 C ATOM 669 OH TYR B 103 6.731 3.961 2.552 1.00 2.31 O ATOM 0 H TYR B 103 14.767 3.200 2.198 1.00 3.24 H new ATOM 0 HA TYR B 103 12.620 1.465 2.744 1.00 2.85 H new ATOM 0 HB2 TYR B 103 12.782 3.841 3.414 1.00 2.82 H new ATOM 0 HB3 TYR B 103 12.765 4.338 1.733 1.00 2.82 H new ATOM 0 HD1 TYR B 103 10.641 2.351 4.131 1.00 2.69 H new ATOM 0 HD2 TYR B 103 10.755 5.028 0.821 1.00 2.76 H new ATOM 0 HE1 TYR B 103 8.191 2.525 4.184 1.00 2.58 H new ATOM 0 HE2 TYR B 103 8.310 5.207 0.871 1.00 2.65 H new ATOM 0 HH TYR B 103 6.464 4.904 2.545 1.00 2.31 H new ATOM 679 N LEU B 104 13.076 2.209 -0.414 1.00 2.70 N ATOM 680 CA LEU B 104 12.650 1.946 -1.787 1.00 2.55 C ATOM 681 C LEU B 104 12.696 0.448 -2.136 1.00 2.53 C ATOM 682 O LEU B 104 11.694 -0.101 -2.596 1.00 2.25 O ATOM 683 CB LEU B 104 13.499 2.760 -2.774 1.00 2.85 C ATOM 684 CG LEU B 104 13.134 2.596 -4.252 1.00 2.83 C ATOM 685 CD1 LEU B 104 11.689 2.999 -4.497 1.00 2.46 C ATOM 686 CD2 LEU B 104 14.070 3.421 -5.123 1.00 3.18 C ATOM 0 H LEU B 104 13.948 2.734 -0.344 1.00 2.70 H new ATOM 0 HA LEU B 104 11.609 2.259 -1.870 1.00 2.55 H new ATOM 0 HB2 LEU B 104 13.416 3.815 -2.513 1.00 2.85 H new ATOM 0 HB3 LEU B 104 14.544 2.480 -2.643 1.00 2.85 H new ATOM 0 HG LEU B 104 13.246 1.545 -4.518 1.00 2.83 H new ATOM 0 HD11 LEU B 104 11.451 2.875 -5.553 1.00 2.46 H new ATOM 0 HD12 LEU B 104 11.029 2.369 -3.900 1.00 2.46 H new ATOM 0 HD13 LEU B 104 11.549 4.042 -4.214 1.00 2.46 H new ATOM 0 HD21 LEU B 104 13.798 3.294 -6.171 1.00 3.18 H new ATOM 0 HD22 LEU B 104 13.987 4.473 -4.851 1.00 3.18 H new ATOM 0 HD23 LEU B 104 15.097 3.087 -4.972 1.00 3.18 H new ATOM 698 N PRO B 105 13.845 -0.246 -1.948 1.00 2.88 N ATOM 699 CA PRO B 105 13.948 -1.681 -2.243 1.00 2.95 C ATOM 700 C PRO B 105 12.999 -2.521 -1.392 1.00 2.65 C ATOM 701 O PRO B 105 12.561 -3.591 -1.815 1.00 2.62 O ATOM 702 CB PRO B 105 15.407 -2.021 -1.930 1.00 3.43 C ATOM 703 CG PRO B 105 15.821 -0.958 -0.983 1.00 3.51 C ATOM 704 CD PRO B 105 15.131 0.283 -1.464 1.00 3.28 C ATOM 0 HA PRO B 105 13.668 -1.900 -3.273 1.00 2.95 H new ATOM 0 HB2 PRO B 105 15.501 -3.012 -1.485 1.00 3.43 H new ATOM 0 HB3 PRO B 105 16.021 -2.016 -2.830 1.00 3.43 H new ATOM 0 HG2 PRO B 105 15.527 -1.203 0.038 1.00 3.51 H new ATOM 0 HG3 PRO B 105 16.904 -0.832 -0.981 1.00 3.51 H new ATOM 0 HD2 PRO B 105 14.997 1.011 -0.664 1.00 3.28 H new ATOM 0 HD3 PRO B 105 15.691 0.780 -2.256 1.00 3.28 H new ATOM 712 N GLU B 106 12.684 -2.045 -0.193 1.00 2.53 N ATOM 713 CA GLU B 106 11.695 -2.716 0.633 1.00 2.35 C ATOM 714 C GLU B 106 10.344 -2.711 -0.070 1.00 1.89 C ATOM 715 O GLU B 106 9.663 -3.734 -0.146 1.00 1.84 O ATOM 716 CB GLU B 106 11.558 -2.021 1.988 1.00 2.43 C ATOM 717 CG GLU B 106 12.792 -2.122 2.869 1.00 2.88 C ATOM 718 CD GLU B 106 12.457 -2.592 4.273 1.00 3.33 C ATOM 719 OE1 GLU B 106 11.626 -1.938 4.942 1.00 3.62 O ATOM 720 OE2 GLU B 106 13.017 -3.620 4.716 1.00 3.71 O ATOM 0 H GLU B 106 13.094 -1.208 0.222 1.00 2.53 H new ATOM 0 HA GLU B 106 12.025 -3.742 0.794 1.00 2.35 H new ATOM 0 HB2 GLU B 106 11.329 -0.968 1.822 1.00 2.43 H new ATOM 0 HB3 GLU B 106 10.710 -2.451 2.520 1.00 2.43 H new ATOM 0 HG2 GLU B 106 13.504 -2.813 2.417 1.00 2.88 H new ATOM 0 HG3 GLU B 106 13.280 -1.149 2.920 1.00 2.88 H new ATOM 727 N LEU B 107 9.984 -1.549 -0.603 1.00 1.63 N ATOM 728 CA LEU B 107 8.721 -1.387 -1.308 1.00 1.23 C ATOM 729 C LEU B 107 8.663 -2.273 -2.545 1.00 1.08 C ATOM 730 O LEU B 107 7.670 -2.945 -2.781 1.00 0.96 O ATOM 731 CB LEU B 107 8.531 0.061 -1.737 1.00 1.21 C ATOM 732 CG LEU B 107 8.412 1.078 -0.611 1.00 1.31 C ATOM 733 CD1 LEU B 107 8.482 2.481 -1.179 1.00 1.42 C ATOM 734 CD2 LEU B 107 7.112 0.886 0.147 1.00 1.19 C ATOM 0 H LEU B 107 10.552 -0.703 -0.559 1.00 1.63 H new ATOM 0 HA LEU B 107 7.927 -1.678 -0.621 1.00 1.23 H new ATOM 0 HB2 LEU B 107 9.372 0.345 -2.370 1.00 1.21 H new ATOM 0 HB3 LEU B 107 7.633 0.123 -2.352 1.00 1.21 H new ATOM 0 HG LEU B 107 9.239 0.930 0.083 1.00 1.31 H new ATOM 0 HD11 LEU B 107 8.396 3.206 -0.370 1.00 1.42 H new ATOM 0 HD12 LEU B 107 9.434 2.619 -1.691 1.00 1.42 H new ATOM 0 HD13 LEU B 107 7.666 2.628 -1.886 1.00 1.42 H new ATOM 0 HD21 LEU B 107 7.046 1.622 0.948 1.00 1.19 H new ATOM 0 HD22 LEU B 107 6.271 1.014 -0.535 1.00 1.19 H new ATOM 0 HD23 LEU B 107 7.084 -0.117 0.573 1.00 1.19 H new ATOM 746 N MET B 108 9.744 -2.279 -3.319 1.00 1.26 N ATOM 747 CA MET B 108 9.799 -3.070 -4.550 1.00 1.26 C ATOM 748 C MET B 108 9.739 -4.566 -4.253 1.00 1.17 C ATOM 749 O MET B 108 9.134 -5.329 -5.003 1.00 1.13 O ATOM 750 CB MET B 108 11.057 -2.734 -5.371 1.00 1.64 C ATOM 751 CG MET B 108 12.368 -3.182 -4.754 1.00 1.96 C ATOM 752 SD MET B 108 13.800 -2.773 -5.777 1.00 2.39 S ATOM 753 CE MET B 108 13.659 -0.990 -5.873 1.00 2.67 C ATOM 0 H MET B 108 10.592 -1.748 -3.119 1.00 1.26 H new ATOM 0 HA MET B 108 8.923 -2.808 -5.144 1.00 1.26 H new ATOM 0 HB2 MET B 108 10.962 -3.192 -6.356 1.00 1.64 H new ATOM 0 HB3 MET B 108 11.095 -1.655 -5.523 1.00 1.64 H new ATOM 0 HG2 MET B 108 12.482 -2.716 -3.775 1.00 1.96 H new ATOM 0 HG3 MET B 108 12.339 -4.260 -4.592 1.00 1.96 H new ATOM 0 HE1 MET B 108 14.648 -0.541 -5.778 1.00 2.67 H new ATOM 0 HE2 MET B 108 13.225 -0.711 -6.833 1.00 2.67 H new ATOM 0 HE3 MET B 108 13.019 -0.632 -5.067 1.00 2.67 H new ATOM 763 N ALA B 109 10.348 -4.983 -3.150 1.00 1.27 N ATOM 764 CA ALA B 109 10.341 -6.392 -2.784 1.00 1.30 C ATOM 765 C ALA B 109 8.942 -6.840 -2.373 1.00 0.99 C ATOM 766 O ALA B 109 8.465 -7.886 -2.812 1.00 1.01 O ATOM 767 CB ALA B 109 11.351 -6.668 -1.680 1.00 1.60 C ATOM 0 H ALA B 109 10.847 -4.374 -2.501 1.00 1.27 H new ATOM 0 HA ALA B 109 10.634 -6.972 -3.659 1.00 1.30 H new ATOM 0 HB1 ALA B 109 11.328 -7.727 -1.423 1.00 1.60 H new ATOM 0 HB2 ALA B 109 12.350 -6.400 -2.025 1.00 1.60 H new ATOM 0 HB3 ALA B 109 11.100 -6.075 -0.800 1.00 1.60 H new ATOM 773 N GLU B 110 8.289 -6.040 -1.541 1.00 0.80 N ATOM 774 CA GLU B 110 6.920 -6.340 -1.130 1.00 0.62 C ATOM 775 C GLU B 110 5.984 -6.219 -2.333 1.00 0.45 C ATOM 776 O GLU B 110 5.092 -7.036 -2.538 1.00 0.54 O ATOM 777 CB GLU B 110 6.469 -5.390 -0.019 1.00 0.56 C ATOM 778 CG GLU B 110 7.250 -5.535 1.279 1.00 0.60 C ATOM 779 CD GLU B 110 6.741 -4.606 2.364 1.00 0.83 C ATOM 780 OE1 GLU B 110 7.546 -4.158 3.209 1.00 1.49 O ATOM 781 OE2 GLU B 110 5.532 -4.316 2.377 1.00 1.48 O ATOM 0 H GLU B 110 8.678 -5.187 -1.140 1.00 0.80 H new ATOM 0 HA GLU B 110 6.886 -7.359 -0.745 1.00 0.62 H new ATOM 0 HB2 GLU B 110 6.562 -4.364 -0.374 1.00 0.56 H new ATOM 0 HB3 GLU B 110 5.412 -5.562 0.184 1.00 0.56 H new ATOM 0 HG2 GLU B 110 7.185 -6.566 1.627 1.00 0.60 H new ATOM 0 HG3 GLU B 110 8.304 -5.328 1.091 1.00 0.60 H new ATOM 788 N LYS B 111 6.235 -5.182 -3.113 1.00 0.41 N ATOM 789 CA LYS B 111 5.432 -4.933 -4.309 1.00 0.46 C ATOM 790 C LYS B 111 5.440 -6.134 -5.251 1.00 0.47 C ATOM 791 O LYS B 111 4.392 -6.657 -5.604 1.00 0.52 O ATOM 792 CB LYS B 111 5.941 -3.694 -5.044 1.00 0.63 C ATOM 793 CG LYS B 111 5.529 -3.629 -6.504 1.00 0.79 C ATOM 794 CD LYS B 111 6.204 -2.470 -7.209 1.00 0.89 C ATOM 795 CE LYS B 111 5.960 -2.492 -8.708 1.00 1.15 C ATOM 796 NZ LYS B 111 6.315 -3.804 -9.315 1.00 1.89 N ATOM 0 H LYS B 111 6.978 -4.503 -2.947 1.00 0.41 H new ATOM 0 HA LYS B 111 4.405 -4.764 -3.985 1.00 0.46 H new ATOM 0 HB2 LYS B 111 5.573 -2.804 -4.533 1.00 0.63 H new ATOM 0 HB3 LYS B 111 7.029 -3.669 -4.983 1.00 0.63 H new ATOM 0 HG2 LYS B 111 5.790 -4.563 -7.001 1.00 0.79 H new ATOM 0 HG3 LYS B 111 4.447 -3.522 -6.575 1.00 0.79 H new ATOM 0 HD2 LYS B 111 5.836 -1.531 -6.796 1.00 0.89 H new ATOM 0 HD3 LYS B 111 7.276 -2.504 -7.016 1.00 0.89 H new ATOM 0 HE2 LYS B 111 4.911 -2.273 -8.907 1.00 1.15 H new ATOM 0 HE3 LYS B 111 6.545 -1.704 -9.182 1.00 1.15 H new ATOM 0 HZ1 LYS B 111 6.378 -3.703 -10.348 1.00 1.89 H new ATOM 0 HZ2 LYS B 111 7.232 -4.123 -8.941 1.00 1.89 H new ATOM 0 HZ3 LYS B 111 5.583 -4.505 -9.080 1.00 1.89 H new ATOM 810 N ASP B 112 6.622 -6.593 -5.613 1.00 0.49 N ATOM 811 CA ASP B 112 6.752 -7.640 -6.622 1.00 0.58 C ATOM 812 C ASP B 112 6.474 -9.028 -6.045 1.00 0.53 C ATOM 813 O ASP B 112 6.391 -10.010 -6.782 1.00 0.63 O ATOM 814 CB ASP B 112 8.139 -7.588 -7.270 1.00 0.72 C ATOM 815 CG ASP B 112 8.234 -6.551 -8.380 1.00 2.65 C ATOM 816 OD1 ASP B 112 8.464 -6.942 -9.548 1.00 3.03 O ATOM 817 OD2 ASP B 112 8.078 -5.345 -8.101 1.00 3.08 O ATOM 0 H ASP B 112 7.507 -6.262 -5.228 1.00 0.49 H new ATOM 0 HA ASP B 112 5.999 -7.454 -7.388 1.00 0.58 H new ATOM 0 HB2 ASP B 112 8.884 -7.365 -6.506 1.00 0.72 H new ATOM 0 HB3 ASP B 112 8.383 -8.570 -7.675 1.00 0.72 H new ATOM 822 N SER B 113 6.324 -9.111 -4.729 1.00 0.44 N ATOM 823 CA SER B 113 6.029 -10.383 -4.071 1.00 0.43 C ATOM 824 C SER B 113 4.562 -10.469 -3.641 1.00 0.35 C ATOM 825 O SER B 113 4.059 -11.545 -3.310 1.00 0.40 O ATOM 826 CB SER B 113 6.939 -10.563 -2.859 1.00 0.44 C ATOM 827 OG SER B 113 8.302 -10.587 -3.249 1.00 0.55 O ATOM 0 H SER B 113 6.401 -8.316 -4.095 1.00 0.44 H new ATOM 0 HA SER B 113 6.213 -11.182 -4.789 1.00 0.43 H new ATOM 0 HB2 SER B 113 6.773 -9.751 -2.151 1.00 0.44 H new ATOM 0 HB3 SER B 113 6.687 -11.491 -2.345 1.00 0.44 H new ATOM 0 HG SER B 113 8.674 -9.682 -3.194 1.00 0.55 H new ATOM 833 N LEU B 114 3.885 -9.332 -3.649 1.00 0.27 N ATOM 834 CA LEU B 114 2.508 -9.245 -3.182 1.00 0.23 C ATOM 835 C LEU B 114 1.560 -9.885 -4.192 1.00 0.27 C ATOM 836 O LEU B 114 1.795 -9.825 -5.400 1.00 0.30 O ATOM 837 CB LEU B 114 2.141 -7.780 -2.953 1.00 0.17 C ATOM 838 CG LEU B 114 1.020 -7.524 -1.938 1.00 0.14 C ATOM 839 CD1 LEU B 114 1.491 -7.821 -0.527 1.00 0.14 C ATOM 840 CD2 LEU B 114 0.541 -6.094 -2.022 1.00 0.16 C ATOM 0 H LEU B 114 4.271 -8.447 -3.977 1.00 0.27 H new ATOM 0 HA LEU B 114 2.413 -9.787 -2.241 1.00 0.23 H new ATOM 0 HB2 LEU B 114 3.033 -7.249 -2.622 1.00 0.17 H new ATOM 0 HB3 LEU B 114 1.847 -7.345 -3.908 1.00 0.17 H new ATOM 0 HG LEU B 114 0.193 -8.191 -2.181 1.00 0.14 H new ATOM 0 HD11 LEU B 114 0.679 -7.632 0.175 1.00 0.14 H new ATOM 0 HD12 LEU B 114 1.795 -8.865 -0.457 1.00 0.14 H new ATOM 0 HD13 LEU B 114 2.338 -7.179 -0.283 1.00 0.14 H new ATOM 0 HD21 LEU B 114 -0.254 -5.933 -1.294 1.00 0.16 H new ATOM 0 HD22 LEU B 114 1.370 -5.419 -1.809 1.00 0.16 H new ATOM 0 HD23 LEU B 114 0.161 -5.896 -3.024 1.00 0.16 H new ATOM 852 N ASP B 115 0.513 -10.525 -3.684 1.00 0.29 N ATOM 853 CA ASP B 115 -0.475 -11.186 -4.533 1.00 0.34 C ATOM 854 C ASP B 115 -1.325 -10.153 -5.267 1.00 0.33 C ATOM 855 O ASP B 115 -1.857 -9.224 -4.651 1.00 0.29 O ATOM 856 CB ASP B 115 -1.374 -12.097 -3.689 1.00 0.37 C ATOM 857 CG ASP B 115 -2.231 -13.029 -4.529 1.00 0.49 C ATOM 858 OD1 ASP B 115 -1.952 -14.248 -4.537 1.00 1.23 O ATOM 859 OD2 ASP B 115 -3.184 -12.559 -5.181 1.00 1.21 O ATOM 0 H ASP B 115 0.325 -10.601 -2.684 1.00 0.29 H new ATOM 0 HA ASP B 115 0.053 -11.792 -5.269 1.00 0.34 H new ATOM 0 HB2 ASP B 115 -0.753 -12.690 -3.018 1.00 0.37 H new ATOM 0 HB3 ASP B 115 -2.021 -11.482 -3.064 1.00 0.37 H new ATOM 864 N PRO B 116 -1.469 -10.311 -6.594 1.00 0.41 N ATOM 865 CA PRO B 116 -2.192 -9.357 -7.450 1.00 0.46 C ATOM 866 C PRO B 116 -3.667 -9.211 -7.085 1.00 0.42 C ATOM 867 O PRO B 116 -4.319 -8.251 -7.500 1.00 0.47 O ATOM 868 CB PRO B 116 -2.046 -9.947 -8.854 1.00 0.55 C ATOM 869 CG PRO B 116 -1.764 -11.390 -8.625 1.00 0.55 C ATOM 870 CD PRO B 116 -0.933 -11.437 -7.378 1.00 0.50 C ATOM 0 HA PRO B 116 -1.785 -8.351 -7.346 1.00 0.46 H new ATOM 0 HB2 PRO B 116 -2.955 -9.808 -9.439 1.00 0.55 H new ATOM 0 HB3 PRO B 116 -1.237 -9.467 -9.404 1.00 0.55 H new ATOM 0 HG2 PRO B 116 -2.687 -11.957 -8.504 1.00 0.55 H new ATOM 0 HG3 PRO B 116 -1.231 -11.826 -9.470 1.00 0.55 H new ATOM 0 HD2 PRO B 116 -1.043 -12.386 -6.853 1.00 0.50 H new ATOM 0 HD3 PRO B 116 0.128 -11.313 -7.593 1.00 0.50 H new ATOM 878 N SER B 117 -4.194 -10.167 -6.325 1.00 0.36 N ATOM 879 CA SER B 117 -5.573 -10.098 -5.862 1.00 0.37 C ATOM 880 C SER B 117 -5.791 -8.839 -5.022 1.00 0.38 C ATOM 881 O SER B 117 -6.908 -8.321 -4.928 1.00 0.56 O ATOM 882 CB SER B 117 -5.926 -11.348 -5.045 1.00 0.37 C ATOM 883 OG SER B 117 -7.284 -11.338 -4.624 1.00 1.30 O ATOM 0 H SER B 117 -3.686 -10.997 -6.018 1.00 0.36 H new ATOM 0 HA SER B 117 -6.228 -10.054 -6.732 1.00 0.37 H new ATOM 0 HB2 SER B 117 -5.738 -12.239 -5.644 1.00 0.37 H new ATOM 0 HB3 SER B 117 -5.275 -11.408 -4.172 1.00 0.37 H new ATOM 0 HG SER B 117 -7.473 -12.150 -4.108 1.00 1.30 H new ATOM 889 N PHE B 118 -4.717 -8.346 -4.415 1.00 0.28 N ATOM 890 CA PHE B 118 -4.782 -7.142 -3.607 1.00 0.32 C ATOM 891 C PHE B 118 -4.429 -5.935 -4.463 1.00 0.44 C ATOM 892 O PHE B 118 -3.303 -5.449 -4.438 1.00 0.94 O ATOM 893 CB PHE B 118 -3.831 -7.242 -2.420 1.00 0.27 C ATOM 894 CG PHE B 118 -4.049 -8.464 -1.581 1.00 0.23 C ATOM 895 CD1 PHE B 118 -4.820 -8.400 -0.438 1.00 1.22 C ATOM 896 CD2 PHE B 118 -3.477 -9.674 -1.935 1.00 1.21 C ATOM 897 CE1 PHE B 118 -5.017 -9.517 0.340 1.00 1.21 C ATOM 898 CE2 PHE B 118 -3.673 -10.798 -1.164 1.00 1.23 C ATOM 899 CZ PHE B 118 -4.445 -10.720 -0.022 1.00 0.28 C ATOM 0 H PHE B 118 -3.789 -8.766 -4.470 1.00 0.28 H new ATOM 0 HA PHE B 118 -5.796 -7.028 -3.224 1.00 0.32 H new ATOM 0 HB2 PHE B 118 -2.804 -7.241 -2.786 1.00 0.27 H new ATOM 0 HB3 PHE B 118 -3.948 -6.356 -1.795 1.00 0.27 H new ATOM 0 HD1 PHE B 118 -5.274 -7.463 -0.151 1.00 1.22 H new ATOM 0 HD2 PHE B 118 -2.870 -9.737 -2.826 1.00 1.21 H new ATOM 0 HE1 PHE B 118 -5.619 -9.453 1.234 1.00 1.21 H new ATOM 0 HE2 PHE B 118 -3.224 -11.737 -1.452 1.00 1.23 H new ATOM 0 HZ PHE B 118 -4.601 -11.598 0.587 1.00 0.28 H new ATOM 909 N THR B 119 -5.412 -5.452 -5.202 1.00 0.39 N ATOM 910 CA THR B 119 -5.194 -4.397 -6.174 1.00 0.39 C ATOM 911 C THR B 119 -4.649 -3.124 -5.534 1.00 0.41 C ATOM 912 O THR B 119 -3.625 -2.597 -5.968 1.00 0.45 O ATOM 913 CB THR B 119 -6.494 -4.078 -6.921 1.00 0.44 C ATOM 914 OG1 THR B 119 -6.950 -5.251 -7.611 1.00 0.48 O ATOM 915 CG2 THR B 119 -6.292 -2.940 -7.910 1.00 0.45 C ATOM 0 H THR B 119 -6.377 -5.778 -5.146 1.00 0.39 H new ATOM 0 HA THR B 119 -4.446 -4.765 -6.876 1.00 0.39 H new ATOM 0 HB THR B 119 -7.243 -3.765 -6.194 1.00 0.44 H new ATOM 0 HG1 THR B 119 -7.782 -5.048 -8.087 1.00 0.48 H new ATOM 0 HG21 THR B 119 -7.230 -2.735 -8.426 1.00 0.45 H new ATOM 0 HG22 THR B 119 -5.969 -2.047 -7.376 1.00 0.45 H new ATOM 0 HG23 THR B 119 -5.532 -3.222 -8.639 1.00 0.45 H new ATOM 923 N HIS B 120 -5.327 -2.637 -4.506 1.00 0.44 N ATOM 924 CA HIS B 120 -4.945 -1.383 -3.876 1.00 0.51 C ATOM 925 C HIS B 120 -3.633 -1.525 -3.124 1.00 0.47 C ATOM 926 O HIS B 120 -2.807 -0.619 -3.138 1.00 0.57 O ATOM 927 CB HIS B 120 -6.043 -0.891 -2.942 1.00 0.60 C ATOM 928 CG HIS B 120 -7.323 -0.578 -3.646 1.00 0.92 C ATOM 929 ND1 HIS B 120 -7.398 0.257 -4.741 1.00 1.09 N ATOM 930 CD2 HIS B 120 -8.580 -1.018 -3.423 1.00 1.19 C ATOM 931 CE1 HIS B 120 -8.650 0.315 -5.155 1.00 1.40 C ATOM 932 NE2 HIS B 120 -9.389 -0.451 -4.375 1.00 1.47 N ATOM 0 H HIS B 120 -6.142 -3.089 -4.092 1.00 0.44 H new ATOM 0 HA HIS B 120 -4.805 -0.644 -4.665 1.00 0.51 H new ATOM 0 HB2 HIS B 120 -6.231 -1.650 -2.182 1.00 0.60 H new ATOM 0 HB3 HIS B 120 -5.695 0.002 -2.422 1.00 0.60 H new ATOM 0 HD2 HIS B 120 -8.891 -1.692 -2.639 1.00 1.19 H new ATOM 0 HE1 HIS B 120 -9.010 0.893 -5.993 1.00 1.40 H new ATOM 0 HE2 HIS B 120 -10.394 -0.597 -4.465 1.00 1.47 H new ATOM 941 N ALA B 121 -3.446 -2.668 -2.477 1.00 0.37 N ATOM 942 CA ALA B 121 -2.199 -2.961 -1.783 1.00 0.33 C ATOM 943 C ALA B 121 -1.027 -2.908 -2.747 1.00 0.38 C ATOM 944 O ALA B 121 0.021 -2.338 -2.451 1.00 0.47 O ATOM 945 CB ALA B 121 -2.278 -4.321 -1.119 1.00 0.27 C ATOM 0 H ALA B 121 -4.144 -3.409 -2.418 1.00 0.37 H new ATOM 0 HA ALA B 121 -2.043 -2.205 -1.014 1.00 0.33 H new ATOM 0 HB1 ALA B 121 -1.340 -4.529 -0.603 1.00 0.27 H new ATOM 0 HB2 ALA B 121 -3.097 -4.328 -0.400 1.00 0.27 H new ATOM 0 HB3 ALA B 121 -2.454 -5.086 -1.876 1.00 0.27 H new ATOM 951 N MET B 122 -1.241 -3.475 -3.916 1.00 0.35 N ATOM 952 CA MET B 122 -0.230 -3.479 -4.960 1.00 0.34 C ATOM 953 C MET B 122 -0.070 -2.080 -5.549 1.00 0.38 C ATOM 954 O MET B 122 1.034 -1.647 -5.889 1.00 0.41 O ATOM 955 CB MET B 122 -0.602 -4.478 -6.047 1.00 0.37 C ATOM 956 CG MET B 122 -0.665 -5.910 -5.560 1.00 0.38 C ATOM 957 SD MET B 122 -0.043 -7.073 -6.779 1.00 0.49 S ATOM 958 CE MET B 122 1.692 -6.658 -6.729 1.00 0.63 C ATOM 0 H MET B 122 -2.111 -3.943 -4.171 1.00 0.35 H new ATOM 0 HA MET B 122 0.723 -3.779 -4.525 1.00 0.34 H new ATOM 0 HB2 MET B 122 -1.570 -4.203 -6.466 1.00 0.37 H new ATOM 0 HB3 MET B 122 0.126 -4.410 -6.856 1.00 0.37 H new ATOM 0 HG2 MET B 122 -0.085 -6.005 -4.642 1.00 0.38 H new ATOM 0 HG3 MET B 122 -1.696 -6.162 -5.313 1.00 0.38 H new ATOM 0 HE1 MET B 122 1.959 -6.100 -7.626 1.00 0.63 H new ATOM 0 HE2 MET B 122 1.895 -6.048 -5.849 1.00 0.63 H new ATOM 0 HE3 MET B 122 2.284 -7.572 -6.681 1.00 0.63 H new ATOM 968 N GLN B 123 -1.189 -1.376 -5.643 1.00 0.44 N ATOM 969 CA GLN B 123 -1.211 -0.031 -6.201 1.00 0.53 C ATOM 970 C GLN B 123 -0.502 0.968 -5.288 1.00 0.54 C ATOM 971 O GLN B 123 0.289 1.787 -5.761 1.00 0.62 O ATOM 972 CB GLN B 123 -2.654 0.395 -6.491 1.00 0.65 C ATOM 973 CG GLN B 123 -2.861 1.896 -6.610 1.00 0.83 C ATOM 974 CD GLN B 123 -4.324 2.266 -6.775 1.00 1.12 C ATOM 975 OE1 GLN B 123 -5.218 1.580 -6.266 1.00 1.60 O ATOM 976 NE2 GLN B 123 -4.577 3.351 -7.487 1.00 1.76 N ATOM 0 H GLN B 123 -2.100 -1.717 -5.337 1.00 0.44 H new ATOM 0 HA GLN B 123 -0.661 -0.041 -7.142 1.00 0.53 H new ATOM 0 HB2 GLN B 123 -2.979 -0.077 -7.418 1.00 0.65 H new ATOM 0 HB3 GLN B 123 -3.297 0.015 -5.697 1.00 0.65 H new ATOM 0 HG2 GLN B 123 -2.463 2.387 -5.722 1.00 0.83 H new ATOM 0 HG3 GLN B 123 -2.295 2.272 -7.463 1.00 0.83 H new ATOM 0 HE21 GLN B 123 -3.809 3.888 -7.889 1.00 1.76 H new ATOM 0 HE22 GLN B 123 -5.541 3.651 -7.634 1.00 1.76 H new ATOM 985 N LEU B 124 -0.766 0.898 -3.992 1.00 0.49 N ATOM 986 CA LEU B 124 -0.167 1.834 -3.050 1.00 0.50 C ATOM 987 C LEU B 124 1.340 1.612 -2.951 1.00 0.45 C ATOM 988 O LEU B 124 2.109 2.568 -2.827 1.00 0.52 O ATOM 989 CB LEU B 124 -0.847 1.742 -1.687 1.00 0.50 C ATOM 990 CG LEU B 124 -2.332 2.113 -1.696 1.00 0.56 C ATOM 991 CD1 LEU B 124 -3.008 1.650 -0.415 1.00 0.49 C ATOM 992 CD2 LEU B 124 -2.500 3.614 -1.869 1.00 0.83 C ATOM 0 H LEU B 124 -1.387 0.208 -3.570 1.00 0.49 H new ATOM 0 HA LEU B 124 -0.323 2.847 -3.422 1.00 0.50 H new ATOM 0 HB2 LEU B 124 -0.741 0.725 -1.309 1.00 0.50 H new ATOM 0 HB3 LEU B 124 -0.325 2.397 -0.989 1.00 0.50 H new ATOM 0 HG LEU B 124 -2.807 1.609 -2.537 1.00 0.56 H new ATOM 0 HD11 LEU B 124 -4.063 1.923 -0.441 1.00 0.49 H new ATOM 0 HD12 LEU B 124 -2.916 0.568 -0.326 1.00 0.49 H new ATOM 0 HD13 LEU B 124 -2.531 2.127 0.441 1.00 0.49 H new ATOM 0 HD21 LEU B 124 -3.561 3.863 -1.874 1.00 0.83 H new ATOM 0 HD22 LEU B 124 -2.009 4.132 -1.045 1.00 0.83 H new ATOM 0 HD23 LEU B 124 -2.050 3.924 -2.812 1.00 0.83 H new ATOM 1004 N LEU B 125 1.753 0.347 -3.036 1.00 0.37 N ATOM 1005 CA LEU B 125 3.174 0.003 -3.054 1.00 0.35 C ATOM 1006 C LEU B 125 3.822 0.600 -4.291 1.00 0.46 C ATOM 1007 O LEU B 125 4.935 1.114 -4.240 1.00 0.52 O ATOM 1008 CB LEU B 125 3.367 -1.515 -3.074 1.00 0.28 C ATOM 1009 CG LEU B 125 3.267 -2.225 -1.731 1.00 0.25 C ATOM 1010 CD1 LEU B 125 3.195 -3.724 -1.956 1.00 0.21 C ATOM 1011 CD2 LEU B 125 4.464 -1.881 -0.858 1.00 0.33 C ATOM 0 H LEU B 125 1.125 -0.454 -3.093 1.00 0.37 H new ATOM 0 HA LEU B 125 3.637 0.405 -2.153 1.00 0.35 H new ATOM 0 HB2 LEU B 125 2.624 -1.946 -3.745 1.00 0.28 H new ATOM 0 HB3 LEU B 125 4.346 -1.730 -3.503 1.00 0.28 H new ATOM 0 HG LEU B 125 2.364 -1.894 -1.219 1.00 0.25 H new ATOM 0 HD11 LEU B 125 3.123 -4.233 -0.995 1.00 0.21 H new ATOM 0 HD12 LEU B 125 2.317 -3.960 -2.558 1.00 0.21 H new ATOM 0 HD13 LEU B 125 4.092 -4.057 -2.477 1.00 0.21 H new ATOM 0 HD21 LEU B 125 4.377 -2.397 0.098 1.00 0.33 H new ATOM 0 HD22 LEU B 125 5.381 -2.195 -1.357 1.00 0.33 H new ATOM 0 HD23 LEU B 125 4.493 -0.805 -0.688 1.00 0.33 H new ATOM 1023 N THR B 126 3.089 0.556 -5.390 1.00 0.55 N ATOM 1024 CA THR B 126 3.605 1.058 -6.648 1.00 0.74 C ATOM 1025 C THR B 126 3.760 2.577 -6.587 1.00 0.92 C ATOM 1026 O THR B 126 4.796 3.128 -6.961 1.00 1.07 O ATOM 1027 CB THR B 126 2.679 0.672 -7.819 1.00 0.81 C ATOM 1028 OG1 THR B 126 2.627 -0.754 -7.952 1.00 0.86 O ATOM 1029 CG2 THR B 126 3.144 1.296 -9.127 1.00 0.91 C ATOM 0 H THR B 126 2.142 0.180 -5.436 1.00 0.55 H new ATOM 0 HA THR B 126 4.581 0.604 -6.818 1.00 0.74 H new ATOM 0 HB THR B 126 1.683 1.055 -7.598 1.00 0.81 H new ATOM 0 HG1 THR B 126 2.045 -1.126 -7.257 1.00 0.86 H new ATOM 0 HG21 THR B 126 2.468 1.003 -9.930 1.00 0.91 H new ATOM 0 HG22 THR B 126 3.145 2.382 -9.032 1.00 0.91 H new ATOM 0 HG23 THR B 126 4.152 0.951 -9.357 1.00 0.91 H new ATOM 1037 N ALA B 127 2.726 3.236 -6.078 1.00 0.96 N ATOM 1038 CA ALA B 127 2.688 4.687 -6.002 1.00 1.09 C ATOM 1039 C ALA B 127 3.807 5.252 -5.128 1.00 1.18 C ATOM 1040 O ALA B 127 4.426 6.257 -5.474 1.00 1.38 O ATOM 1041 CB ALA B 127 1.336 5.129 -5.474 1.00 1.18 C ATOM 0 H ALA B 127 1.893 2.779 -5.708 1.00 0.96 H new ATOM 0 HA ALA B 127 2.842 5.078 -7.008 1.00 1.09 H new ATOM 0 HB1 ALA B 127 1.306 6.217 -5.416 1.00 1.18 H new ATOM 0 HB2 ALA B 127 0.551 4.779 -6.145 1.00 1.18 H new ATOM 0 HB3 ALA B 127 1.178 4.709 -4.481 1.00 1.18 H new ATOM 1047 N GLU B 128 4.048 4.624 -3.981 1.00 1.12 N ATOM 1048 CA GLU B 128 5.096 5.090 -3.076 1.00 1.31 C ATOM 1049 C GLU B 128 6.468 4.947 -3.717 1.00 1.38 C ATOM 1050 O GLU B 128 7.333 5.812 -3.568 1.00 1.62 O ATOM 1051 CB GLU B 128 5.070 4.333 -1.758 1.00 1.35 C ATOM 1052 CG GLU B 128 5.932 4.988 -0.697 1.00 1.46 C ATOM 1053 CD GLU B 128 5.496 6.415 -0.406 1.00 1.46 C ATOM 1054 OE1 GLU B 128 4.279 6.699 -0.487 1.00 2.01 O ATOM 1055 OE2 GLU B 128 6.363 7.262 -0.107 1.00 1.95 O ATOM 0 H GLU B 128 3.539 3.801 -3.658 1.00 1.12 H new ATOM 0 HA GLU B 128 4.902 6.144 -2.875 1.00 1.31 H new ATOM 0 HB2 GLU B 128 4.043 4.269 -1.399 1.00 1.35 H new ATOM 0 HB3 GLU B 128 5.414 3.312 -1.922 1.00 1.35 H new ATOM 0 HG2 GLU B 128 5.885 4.401 0.220 1.00 1.46 H new ATOM 0 HG3 GLU B 128 6.972 4.987 -1.024 1.00 1.46 H new ATOM 1062 N ILE B 129 6.639 3.866 -4.456 1.00 1.24 N ATOM 1063 CA ILE B 129 7.876 3.637 -5.178 1.00 1.42 C ATOM 1064 C ILE B 129 8.083 4.732 -6.206 1.00 1.64 C ATOM 1065 O ILE B 129 9.197 5.234 -6.385 1.00 1.92 O ATOM 1066 CB ILE B 129 7.883 2.257 -5.862 1.00 1.32 C ATOM 1067 CG1 ILE B 129 7.927 1.167 -4.796 1.00 1.14 C ATOM 1068 CG2 ILE B 129 9.060 2.125 -6.819 1.00 1.59 C ATOM 1069 CD1 ILE B 129 7.733 -0.226 -5.339 1.00 1.01 C ATOM 0 H ILE B 129 5.938 3.134 -4.572 1.00 1.24 H new ATOM 0 HA ILE B 129 8.695 3.655 -4.459 1.00 1.42 H new ATOM 0 HB ILE B 129 6.972 2.149 -6.450 1.00 1.32 H new ATOM 0 HG12 ILE B 129 8.886 1.215 -4.280 1.00 1.14 H new ATOM 0 HG13 ILE B 129 7.155 1.368 -4.053 1.00 1.14 H new ATOM 0 HG21 ILE B 129 9.040 1.141 -7.287 1.00 1.59 H new ATOM 0 HG22 ILE B 129 8.992 2.894 -7.588 1.00 1.59 H new ATOM 0 HG23 ILE B 129 9.993 2.245 -6.268 1.00 1.59 H new ATOM 0 HD11 ILE B 129 7.777 -0.945 -4.521 1.00 1.01 H new ATOM 0 HD12 ILE B 129 6.762 -0.293 -5.829 1.00 1.01 H new ATOM 0 HD13 ILE B 129 8.520 -0.448 -6.060 1.00 1.01 H new ATOM 1081 N GLU B 130 6.994 5.118 -6.860 1.00 1.55 N ATOM 1082 CA GLU B 130 7.021 6.204 -7.813 1.00 1.76 C ATOM 1083 C GLU B 130 7.557 7.464 -7.156 1.00 1.94 C ATOM 1084 O GLU B 130 8.421 8.120 -7.712 1.00 2.19 O ATOM 1085 CB GLU B 130 5.624 6.503 -8.354 1.00 1.67 C ATOM 1086 CG GLU B 130 5.027 5.431 -9.239 1.00 1.60 C ATOM 1087 CD GLU B 130 3.673 5.856 -9.770 1.00 1.81 C ATOM 1088 OE1 GLU B 130 3.607 6.909 -10.445 1.00 2.25 O ATOM 1089 OE2 GLU B 130 2.668 5.162 -9.503 1.00 2.16 O ATOM 0 H GLU B 130 6.077 4.686 -6.741 1.00 1.55 H new ATOM 0 HA GLU B 130 7.668 5.899 -8.636 1.00 1.76 H new ATOM 0 HB2 GLU B 130 4.954 6.668 -7.510 1.00 1.67 H new ATOM 0 HB3 GLU B 130 5.663 7.435 -8.918 1.00 1.67 H new ATOM 0 HG2 GLU B 130 5.700 5.226 -10.072 1.00 1.60 H new ATOM 0 HG3 GLU B 130 4.926 4.504 -8.675 1.00 1.60 H new ATOM 1096 N LYS B 131 7.072 7.773 -5.955 1.00 1.85 N ATOM 1097 CA LYS B 131 7.441 9.017 -5.279 1.00 2.07 C ATOM 1098 C LYS B 131 8.943 9.082 -5.042 1.00 2.28 C ATOM 1099 O LYS B 131 9.579 10.101 -5.311 1.00 2.53 O ATOM 1100 CB LYS B 131 6.728 9.156 -3.928 1.00 2.03 C ATOM 1101 CG LYS B 131 5.214 9.054 -3.983 1.00 2.33 C ATOM 1102 CD LYS B 131 4.605 9.424 -2.638 1.00 2.59 C ATOM 1103 CE LYS B 131 3.113 9.140 -2.583 1.00 3.17 C ATOM 1104 NZ LYS B 131 2.827 7.683 -2.510 1.00 3.73 N ATOM 0 H LYS B 131 6.426 7.183 -5.431 1.00 1.85 H new ATOM 0 HA LYS B 131 7.134 9.833 -5.933 1.00 2.07 H new ATOM 0 HB2 LYS B 131 7.104 8.385 -3.256 1.00 2.03 H new ATOM 0 HB3 LYS B 131 6.996 10.118 -3.491 1.00 2.03 H new ATOM 0 HG2 LYS B 131 4.827 9.715 -4.758 1.00 2.33 H new ATOM 0 HG3 LYS B 131 4.922 8.040 -4.254 1.00 2.33 H new ATOM 0 HD2 LYS B 131 5.108 8.866 -1.848 1.00 2.59 H new ATOM 0 HD3 LYS B 131 4.779 10.482 -2.442 1.00 2.59 H new ATOM 0 HE2 LYS B 131 2.681 9.638 -1.715 1.00 3.17 H new ATOM 0 HE3 LYS B 131 2.631 9.561 -3.465 1.00 3.17 H new ATOM 0 HZ1 LYS B 131 1.834 7.537 -2.238 1.00 3.73 H new ATOM 0 HZ2 LYS B 131 2.999 7.249 -3.439 1.00 3.73 H new ATOM 0 HZ3 LYS B 131 3.448 7.242 -1.802 1.00 3.73 H new ATOM 1118 N ILE B 132 9.506 7.982 -4.555 1.00 2.21 N ATOM 1119 CA ILE B 132 10.929 7.929 -4.246 1.00 2.47 C ATOM 1120 C ILE B 132 11.761 8.041 -5.516 1.00 2.68 C ATOM 1121 O ILE B 132 12.768 8.751 -5.558 1.00 2.98 O ATOM 1122 CB ILE B 132 11.297 6.623 -3.523 1.00 2.40 C ATOM 1123 CG1 ILE B 132 10.288 6.337 -2.411 1.00 2.18 C ATOM 1124 CG2 ILE B 132 12.711 6.705 -2.959 1.00 2.72 C ATOM 1125 CD1 ILE B 132 10.597 5.095 -1.615 1.00 2.19 C ATOM 0 H ILE B 132 9.000 7.117 -4.366 1.00 2.21 H new ATOM 0 HA ILE B 132 11.146 8.772 -3.590 1.00 2.47 H new ATOM 0 HB ILE B 132 11.265 5.803 -4.241 1.00 2.40 H new ATOM 0 HG12 ILE B 132 10.254 7.192 -1.735 1.00 2.18 H new ATOM 0 HG13 ILE B 132 9.295 6.238 -2.850 1.00 2.18 H new ATOM 0 HG21 ILE B 132 12.955 5.772 -2.451 1.00 2.72 H new ATOM 0 HG22 ILE B 132 13.418 6.871 -3.772 1.00 2.72 H new ATOM 0 HG23 ILE B 132 12.773 7.531 -2.251 1.00 2.72 H new ATOM 0 HD11 ILE B 132 9.838 4.958 -0.845 1.00 2.19 H new ATOM 0 HD12 ILE B 132 10.602 4.230 -2.278 1.00 2.19 H new ATOM 0 HD13 ILE B 132 11.575 5.198 -1.146 1.00 2.19 H new ATOM 1137 N GLN B 133 11.329 7.339 -6.550 1.00 2.56 N ATOM 1138 CA GLN B 133 12.055 7.319 -7.811 1.00 2.81 C ATOM 1139 C GLN B 133 11.880 8.624 -8.589 1.00 2.97 C ATOM 1140 O GLN B 133 12.846 9.161 -9.128 1.00 3.27 O ATOM 1141 CB GLN B 133 11.612 6.130 -8.666 1.00 2.72 C ATOM 1142 CG GLN B 133 12.070 4.789 -8.121 1.00 2.73 C ATOM 1143 CD GLN B 133 11.916 3.671 -9.130 1.00 2.94 C ATOM 1144 OE1 GLN B 133 11.993 3.896 -10.339 1.00 3.49 O ATOM 1145 NE2 GLN B 133 11.713 2.456 -8.647 1.00 2.90 N ATOM 0 H GLN B 133 10.479 6.775 -6.542 1.00 2.56 H new ATOM 0 HA GLN B 133 13.114 7.214 -7.575 1.00 2.81 H new ATOM 0 HB2 GLN B 133 10.525 6.131 -8.740 1.00 2.72 H new ATOM 0 HB3 GLN B 133 12.001 6.254 -9.677 1.00 2.72 H new ATOM 0 HG2 GLN B 133 13.115 4.861 -7.819 1.00 2.73 H new ATOM 0 HG3 GLN B 133 11.496 4.549 -7.226 1.00 2.73 H new ATOM 0 HE21 GLN B 133 11.655 2.311 -7.639 1.00 2.90 H new ATOM 0 HE22 GLN B 133 11.614 1.664 -9.283 1.00 2.90 H new ATOM 1154 N LYS B 134 10.656 9.146 -8.624 1.00 2.82 N ATOM 1155 CA LYS B 134 10.356 10.324 -9.439 1.00 3.02 C ATOM 1156 C LYS B 134 10.867 11.603 -8.782 1.00 3.29 C ATOM 1157 O LYS B 134 11.406 12.481 -9.456 1.00 3.54 O ATOM 1158 CB LYS B 134 8.845 10.432 -9.733 1.00 2.88 C ATOM 1159 CG LYS B 134 7.985 10.912 -8.571 1.00 2.84 C ATOM 1160 CD LYS B 134 6.512 10.974 -8.958 1.00 2.90 C ATOM 1161 CE LYS B 134 6.013 9.636 -9.486 1.00 3.30 C ATOM 1162 NZ LYS B 134 4.548 9.640 -9.758 1.00 3.82 N ATOM 0 H LYS B 134 9.861 8.777 -8.103 1.00 2.82 H new ATOM 0 HA LYS B 134 10.879 10.201 -10.387 1.00 3.02 H new ATOM 0 HB2 LYS B 134 8.703 11.112 -10.573 1.00 2.88 H new ATOM 0 HB3 LYS B 134 8.483 9.454 -10.051 1.00 2.88 H new ATOM 0 HG2 LYS B 134 8.112 10.241 -7.721 1.00 2.84 H new ATOM 0 HG3 LYS B 134 8.321 11.898 -8.251 1.00 2.84 H new ATOM 0 HD2 LYS B 134 5.920 11.267 -8.091 1.00 2.90 H new ATOM 0 HD3 LYS B 134 6.367 11.742 -9.718 1.00 2.90 H new ATOM 0 HE2 LYS B 134 6.549 9.388 -10.402 1.00 3.30 H new ATOM 0 HE3 LYS B 134 6.243 8.855 -8.761 1.00 3.30 H new ATOM 0 HZ1 LYS B 134 4.237 8.678 -10.001 1.00 3.82 H new ATOM 0 HZ2 LYS B 134 4.039 9.965 -8.911 1.00 3.82 H new ATOM 0 HZ3 LYS B 134 4.344 10.280 -10.552 1.00 3.82 H new ATOM 1176 N GLY B 135 10.726 11.692 -7.468 1.00 3.29 N ATOM 1177 CA GLY B 135 11.119 12.894 -6.767 1.00 3.59 C ATOM 1178 C GLY B 135 9.965 13.864 -6.621 1.00 4.02 C ATOM 1179 O GLY B 135 9.935 14.616 -5.631 1.00 4.46 O ATOM 1180 OXT GLY B 135 9.076 13.874 -7.499 1.00 4.40 O ATOM 0 H GLY B 135 10.347 10.953 -6.876 1.00 3.29 H new ATOM 0 HA2 GLY B 135 11.500 12.631 -5.780 1.00 3.59 H new ATOM 0 HA3 GLY B 135 11.935 13.378 -7.305 1.00 3.59 H new TER 1184 GLY B 135