USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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: A2137 THR OG1 : rot -94:sc= 1.26 USER MOD Set 1.2: A2138 GLN : amide:sc= -0.841 X(o=0.41,f=0.75) USER MOD Set 2.1: A2077 HIS : no HE2:sc= -4.92 K(o=-4.7,f=-9.3!) USER MOD Set 2.2: A2079 THR OG1 : rot 180:sc= 0.21 USER MOD Set 3.1: A2047 SER OG : rot -80:sc= 0.0579 USER MOD Set 3.2: A2059 GLN : amide:sc= -3.47! C(o=-3.3!,f=-3.5!) USER MOD Set 3.3: A2133 HIS : no HD1:sc= 0.135 K(o=-3.3,f=-5.3) USER MOD Single : A2048 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2049 MET CE :methyl 140:sc= -0.937 (180deg=-2.54) USER MOD Single : A2052 ASN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A2055 SER OG : rot 180:sc= -1.12 USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A2058 GLN : amide:sc= -0.819 K(o=-0.82,f=-5.3!) USER MOD Single : A2060 GLN : amide:sc= -1.06 X(o=-1.1,f=-0.81) USER MOD Single : A2061 GLN : amide:sc= 0.405 X(o=0.4,f=0) USER MOD Single : A2062 THR OG1 : rot 82:sc= 1.23 USER MOD Single : A2065 THR OG1 : rot 75:sc= 0.721 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A2073 THR OG1 : rot 76:sc= 0.708 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -48:sc= 0.462 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 171:sc= 0.632 (180deg=0.578) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.553 USER MOD Single : A2104 ASN : amide:sc= -0.702 K(o=-0.7,f=-3.8!) USER MOD Single : A2105 THR OG1 : rot 71:sc= 0.901 USER MOD Single : A2107 THR OG1 : rot -38:sc= -0.854! USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.655 K(o=0.65,f=-0.31) USER MOD Single : A2110 THR OG1 : rot -81:sc= 0.659 USER MOD Single : A2117 THR OG1 : rot 79:sc= -0.701 USER MOD Single : A2122 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.83) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.542 USER MOD Single : A2126 HIS : no HD1:sc= -0.0282 X(o=-0.028,f=0) USER MOD Single : A2129 THR OG1 : rot 57:sc= 1.2 USER MOD Single : A2130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2134 THR OG1 : rot 74:sc= 0.817 USER MOD Single : A2139 SER OG : rot 180:sc= 0 USER MOD Single : A2140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 -19.344 -1.784 -2.951 1.00 6.15 N ATOM 2 CA GLY A2046 -17.863 -1.826 -2.885 1.00 5.60 C ATOM 3 C GLY A2046 -17.295 -0.615 -2.180 1.00 5.08 C ATOM 4 O GLY A2046 -18.041 0.274 -1.765 1.00 5.26 O ATOM 0 HA2 GLY A2046 -17.548 -2.730 -2.364 1.00 5.60 H new ATOM 0 HA3 GLY A2046 -17.456 -1.882 -3.895 1.00 5.60 H new ATOM 10 N SER A2047 -15.978 -0.573 -2.040 1.00 4.85 N ATOM 11 CA SER A2047 -15.328 0.520 -1.336 1.00 4.75 C ATOM 12 C SER A2047 -14.651 1.480 -2.313 1.00 3.83 C ATOM 13 O SER A2047 -14.965 2.668 -2.335 1.00 4.09 O ATOM 14 CB SER A2047 -14.315 -0.031 -0.337 1.00 5.58 C ATOM 15 OG SER A2047 -14.920 -0.975 0.531 1.00 6.22 O ATOM 0 H SER A2047 -15.341 -1.282 -2.404 1.00 4.85 H new ATOM 0 HA SER A2047 -16.090 1.080 -0.794 1.00 4.75 H new ATOM 0 HB2 SER A2047 -13.489 -0.500 -0.872 1.00 5.58 H new ATOM 0 HB3 SER A2047 -13.893 0.787 0.247 1.00 5.58 H new ATOM 0 HG SER A2047 -15.408 -0.503 1.238 1.00 6.22 H new ATOM 21 N HIS A2048 -13.732 0.965 -3.128 1.00 3.01 N ATOM 22 CA HIS A2048 -13.037 1.804 -4.100 1.00 2.15 C ATOM 23 C HIS A2048 -12.405 0.990 -5.224 1.00 1.40 C ATOM 24 O HIS A2048 -12.913 0.963 -6.342 1.00 1.44 O ATOM 25 CB HIS A2048 -11.954 2.648 -3.441 1.00 2.19 C ATOM 26 CG HIS A2048 -12.230 4.115 -3.505 1.00 2.49 C ATOM 27 ND1 HIS A2048 -12.082 4.868 -4.650 1.00 3.16 N ATOM 28 CD2 HIS A2048 -12.652 4.966 -2.552 1.00 2.35 C ATOM 29 CE1 HIS A2048 -12.399 6.123 -4.391 1.00 3.33 C ATOM 30 NE2 HIS A2048 -12.751 6.211 -3.121 1.00 2.84 N ATOM 0 H HIS A2048 -13.454 -0.016 -3.135 1.00 3.01 H new ATOM 0 HA HIS A2048 -13.801 2.456 -4.525 1.00 2.15 H new ATOM 0 HB2 HIS A2048 -11.854 2.349 -2.398 1.00 2.19 H new ATOM 0 HB3 HIS A2048 -10.999 2.443 -3.924 1.00 2.19 H new ATOM 0 HD2 HIS A2048 -12.873 4.715 -1.525 1.00 2.35 H new ATOM 0 HE1 HIS A2048 -12.375 6.939 -5.098 1.00 3.33 H new ATOM 0 HE2 HIS A2048 -13.047 7.062 -2.643 1.00 2.84 H new ATOM 39 N MET A2049 -11.299 0.318 -4.912 1.00 1.08 N ATOM 40 CA MET A2049 -10.445 -0.264 -5.949 1.00 0.80 C ATOM 41 C MET A2049 -10.803 -1.705 -6.289 1.00 1.56 C ATOM 42 O MET A2049 -11.447 -1.988 -7.294 1.00 2.18 O ATOM 43 CB MET A2049 -8.987 -0.189 -5.470 1.00 0.83 C ATOM 44 CG MET A2049 -7.978 -0.847 -6.399 1.00 1.02 C ATOM 45 SD MET A2049 -6.324 -0.949 -5.677 1.00 1.09 S ATOM 46 CE MET A2049 -6.642 -1.850 -4.158 1.00 0.85 C ATOM 0 H MET A2049 -10.974 0.163 -3.958 1.00 1.08 H new ATOM 0 HA MET A2049 -10.595 0.310 -6.864 1.00 0.80 H new ATOM 0 HB2 MET A2049 -8.714 0.859 -5.343 1.00 0.83 H new ATOM 0 HB3 MET A2049 -8.917 -0.658 -4.489 1.00 0.83 H new ATOM 0 HG2 MET A2049 -8.322 -1.850 -6.650 1.00 1.02 H new ATOM 0 HG3 MET A2049 -7.928 -0.284 -7.331 1.00 1.02 H new ATOM 0 HE1 MET A2049 -5.839 -2.566 -3.985 1.00 0.85 H new ATOM 0 HE2 MET A2049 -6.691 -1.150 -3.324 1.00 0.85 H new ATOM 0 HE3 MET A2049 -7.590 -2.382 -4.242 1.00 0.85 H new ATOM 56 N ARG A2050 -10.376 -2.595 -5.435 1.00 2.19 N ATOM 57 CA ARG A2050 -10.608 -4.033 -5.607 1.00 3.02 C ATOM 58 C ARG A2050 -11.658 -4.550 -4.639 1.00 2.45 C ATOM 59 O ARG A2050 -11.982 -5.733 -4.630 1.00 3.04 O ATOM 60 CB ARG A2050 -9.314 -4.804 -5.393 1.00 4.17 C ATOM 61 CG ARG A2050 -8.262 -4.556 -6.452 1.00 5.10 C ATOM 62 CD ARG A2050 -7.688 -5.865 -6.950 1.00 6.03 C ATOM 63 NE ARG A2050 -6.506 -5.673 -7.789 1.00 7.06 N ATOM 64 CZ ARG A2050 -5.651 -6.647 -8.099 1.00 8.09 C ATOM 65 NH1 ARG A2050 -5.846 -7.878 -7.648 1.00 8.33 N ATOM 66 NH2 ARG A2050 -4.594 -6.389 -8.855 1.00 9.04 N ATOM 0 H ARG A2050 -9.854 -2.359 -4.591 1.00 2.19 H new ATOM 0 HA ARG A2050 -10.969 -4.184 -6.624 1.00 3.02 H new ATOM 0 HB2 ARG A2050 -8.903 -4.538 -4.419 1.00 4.17 H new ATOM 0 HB3 ARG A2050 -9.540 -5.870 -5.364 1.00 4.17 H new ATOM 0 HG2 ARG A2050 -8.699 -4.004 -7.284 1.00 5.10 H new ATOM 0 HG3 ARG A2050 -7.465 -3.936 -6.042 1.00 5.10 H new ATOM 0 HD2 ARG A2050 -7.427 -6.492 -6.097 1.00 6.03 H new ATOM 0 HD3 ARG A2050 -8.450 -6.400 -7.517 1.00 6.03 H new ATOM 0 HE ARG A2050 -6.325 -4.740 -8.158 1.00 7.06 H new ATOM 0 HH11 ARG A2050 -6.654 -8.084 -7.060 1.00 8.33 H new ATOM 0 HH12 ARG A2050 -5.188 -8.619 -7.889 1.00 8.33 H new ATOM 0 HH21 ARG A2050 -4.433 -5.443 -9.201 1.00 9.04 H new ATOM 0 HH22 ARG A2050 -3.941 -7.136 -9.091 1.00 9.04 H new ATOM 80 N LEU A2051 -12.188 -3.657 -3.826 1.00 1.40 N ATOM 81 CA LEU A2051 -12.880 -4.061 -2.611 1.00 1.14 C ATOM 82 C LEU A2051 -14.379 -4.234 -2.821 1.00 1.01 C ATOM 83 O LEU A2051 -15.161 -4.080 -1.883 1.00 1.07 O ATOM 84 CB LEU A2051 -12.627 -3.031 -1.512 1.00 1.24 C ATOM 85 CG LEU A2051 -11.168 -2.609 -1.318 1.00 1.66 C ATOM 86 CD1 LEU A2051 -11.015 -1.790 -0.048 1.00 2.23 C ATOM 87 CD2 LEU A2051 -10.240 -3.816 -1.295 1.00 2.25 C ATOM 0 H LEU A2051 -12.155 -2.649 -3.981 1.00 1.40 H new ATOM 0 HA LEU A2051 -12.483 -5.033 -2.318 1.00 1.14 H new ATOM 0 HB2 LEU A2051 -13.217 -2.141 -1.731 1.00 1.24 H new ATOM 0 HB3 LEU A2051 -12.997 -3.435 -0.570 1.00 1.24 H new ATOM 0 HG LEU A2051 -10.883 -1.988 -2.168 1.00 1.66 H new ATOM 0 HD11 LEU A2051 -9.972 -1.499 0.074 1.00 2.23 H new ATOM 0 HD12 LEU A2051 -11.636 -0.896 -0.114 1.00 2.23 H new ATOM 0 HD13 LEU A2051 -11.328 -2.386 0.809 1.00 2.23 H new ATOM 0 HD21 LEU A2051 -9.212 -3.482 -1.156 1.00 2.25 H new ATOM 0 HD22 LEU A2051 -10.521 -4.476 -0.474 1.00 2.25 H new ATOM 0 HD23 LEU A2051 -10.322 -4.356 -2.239 1.00 2.25 H new ATOM 99 N ASN A2052 -14.788 -4.552 -4.034 1.00 1.58 N ATOM 100 CA ASN A2052 -16.201 -4.754 -4.308 1.00 1.99 C ATOM 101 C ASN A2052 -16.578 -6.216 -4.111 1.00 1.93 C ATOM 102 O ASN A2052 -16.168 -7.082 -4.884 1.00 2.08 O ATOM 103 CB ASN A2052 -16.550 -4.293 -5.726 1.00 2.83 C ATOM 104 CG ASN A2052 -18.043 -4.328 -5.996 1.00 3.47 C ATOM 105 OD1 ASN A2052 -18.761 -3.376 -5.685 1.00 3.92 O ATOM 106 ND2 ASN A2052 -18.516 -5.408 -6.595 1.00 4.07 N ATOM 0 H ASN A2052 -14.172 -4.675 -4.838 1.00 1.58 H new ATOM 0 HA ASN A2052 -16.776 -4.152 -3.604 1.00 1.99 H new ATOM 0 HB2 ASN A2052 -16.180 -3.279 -5.876 1.00 2.83 H new ATOM 0 HB3 ASN A2052 -16.038 -4.929 -6.448 1.00 2.83 H new ATOM 0 HD21 ASN A2052 -19.509 -5.475 -6.816 1.00 4.07 H new ATOM 0 HD22 ASN A2052 -17.887 -6.174 -6.836 1.00 4.07 H new ATOM 113 N GLY A2053 -17.335 -6.489 -3.057 1.00 1.86 N ATOM 114 CA GLY A2053 -17.807 -7.838 -2.810 1.00 1.88 C ATOM 115 C GLY A2053 -17.016 -8.559 -1.735 1.00 1.57 C ATOM 116 O GLY A2053 -17.476 -9.562 -1.187 1.00 1.67 O ATOM 0 H GLY A2053 -17.632 -5.799 -2.367 1.00 1.86 H new ATOM 0 HA2 GLY A2053 -18.856 -7.801 -2.517 1.00 1.88 H new ATOM 0 HA3 GLY A2053 -17.754 -8.410 -3.736 1.00 1.88 H new ATOM 120 N LEU A2054 -15.829 -8.060 -1.429 1.00 1.24 N ATOM 121 CA LEU A2054 -14.969 -8.696 -0.442 1.00 1.05 C ATOM 122 C LEU A2054 -15.229 -8.139 0.949 1.00 0.93 C ATOM 123 O LEU A2054 -15.540 -6.958 1.109 1.00 0.98 O ATOM 124 CB LEU A2054 -13.508 -8.489 -0.810 1.00 0.96 C ATOM 125 CG LEU A2054 -13.136 -8.948 -2.216 1.00 1.10 C ATOM 126 CD1 LEU A2054 -11.696 -8.599 -2.508 1.00 1.60 C ATOM 127 CD2 LEU A2054 -13.372 -10.443 -2.367 1.00 1.50 C ATOM 0 H LEU A2054 -15.439 -7.217 -1.849 1.00 1.24 H new ATOM 0 HA LEU A2054 -15.195 -9.762 -0.436 1.00 1.05 H new ATOM 0 HB2 LEU A2054 -13.269 -7.430 -0.713 1.00 0.96 H new ATOM 0 HB3 LEU A2054 -12.887 -9.023 -0.091 1.00 0.96 H new ATOM 0 HG LEU A2054 -13.771 -8.432 -2.936 1.00 1.10 H new ATOM 0 HD11 LEU A2054 -11.438 -8.930 -3.514 1.00 1.60 H new ATOM 0 HD12 LEU A2054 -11.561 -7.520 -2.436 1.00 1.60 H new ATOM 0 HD13 LEU A2054 -11.048 -9.095 -1.786 1.00 1.60 H new ATOM 0 HD21 LEU A2054 -13.102 -10.754 -3.376 1.00 1.50 H new ATOM 0 HD22 LEU A2054 -12.760 -10.983 -1.645 1.00 1.50 H new ATOM 0 HD23 LEU A2054 -14.424 -10.665 -2.189 1.00 1.50 H new ATOM 139 N SER A2055 -15.110 -9.002 1.947 1.00 0.85 N ATOM 140 CA SER A2055 -15.240 -8.598 3.339 1.00 0.80 C ATOM 141 C SER A2055 -14.040 -7.752 3.732 1.00 0.67 C ATOM 142 O SER A2055 -12.954 -7.958 3.203 1.00 0.61 O ATOM 143 CB SER A2055 -15.325 -9.835 4.243 1.00 0.83 C ATOM 144 OG SER A2055 -15.822 -9.506 5.530 1.00 1.18 O ATOM 0 H SER A2055 -14.922 -9.996 1.816 1.00 0.85 H new ATOM 0 HA SER A2055 -16.152 -8.014 3.460 1.00 0.80 H new ATOM 0 HB2 SER A2055 -15.973 -10.580 3.781 1.00 0.83 H new ATOM 0 HB3 SER A2055 -14.337 -10.286 4.338 1.00 0.83 H new ATOM 0 HG SER A2055 -15.866 -10.316 6.081 1.00 1.18 H new ATOM 150 N PRO A2056 -14.231 -6.776 4.629 1.00 0.67 N ATOM 151 CA PRO A2056 -13.172 -5.875 5.094 1.00 0.61 C ATOM 152 C PRO A2056 -11.806 -6.548 5.256 1.00 0.54 C ATOM 153 O PRO A2056 -10.808 -6.043 4.748 1.00 0.50 O ATOM 154 CB PRO A2056 -13.712 -5.417 6.441 1.00 0.71 C ATOM 155 CG PRO A2056 -15.193 -5.396 6.263 1.00 0.86 C ATOM 156 CD PRO A2056 -15.529 -6.434 5.229 1.00 0.81 C ATOM 0 HA PRO A2056 -12.976 -5.076 4.379 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.418 -6.099 7.239 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.330 -4.431 6.707 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.697 -5.613 7.205 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.528 -4.410 5.942 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.002 -7.307 5.679 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.222 -6.044 4.484 1.00 0.81 H new ATOM 164 N GLN A2057 -11.766 -7.694 5.931 1.00 0.58 N ATOM 165 CA GLN A2057 -10.514 -8.411 6.158 1.00 0.60 C ATOM 166 C GLN A2057 -9.915 -8.906 4.840 1.00 0.57 C ATOM 167 O GLN A2057 -8.700 -8.846 4.632 1.00 0.57 O ATOM 168 CB GLN A2057 -10.759 -9.595 7.087 1.00 0.71 C ATOM 169 CG GLN A2057 -9.486 -10.187 7.664 1.00 0.83 C ATOM 170 CD GLN A2057 -9.758 -11.372 8.569 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.808 -11.454 9.203 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.815 -12.297 8.637 1.00 1.95 N ATOM 0 H GLN A2057 -12.588 -8.147 6.331 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.806 -7.722 6.619 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.405 -9.277 7.905 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.295 -10.371 6.540 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.832 -10.498 6.850 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.954 -9.419 8.225 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.957 -12.192 8.095 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.945 -13.115 9.232 1.00 1.95 H new ATOM 181 N GLN A2058 -10.776 -9.397 3.959 1.00 0.59 N ATOM 182 CA GLN A2058 -10.360 -9.828 2.627 1.00 0.64 C ATOM 183 C GLN A2058 -9.848 -8.629 1.849 1.00 0.57 C ATOM 184 O GLN A2058 -8.832 -8.701 1.155 1.00 0.59 O ATOM 185 CB GLN A2058 -11.534 -10.450 1.872 1.00 0.75 C ATOM 186 CG GLN A2058 -12.163 -11.641 2.569 1.00 0.83 C ATOM 187 CD GLN A2058 -11.274 -12.873 2.591 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.044 -12.783 2.604 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.899 -14.037 2.596 1.00 1.60 N ATOM 0 H GLN A2058 -11.773 -9.508 4.142 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.572 -10.574 2.731 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.298 -9.688 1.720 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.192 -10.760 0.885 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.410 -11.363 3.594 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.101 -11.889 2.072 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.918 -14.069 2.585 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.362 -14.904 2.611 1.00 1.60 H new ATOM 198 N GLN A2059 -10.575 -7.524 1.985 1.00 0.54 N ATOM 199 CA GLN A2059 -10.201 -6.259 1.376 1.00 0.52 C ATOM 200 C GLN A2059 -8.793 -5.867 1.779 1.00 0.47 C ATOM 201 O GLN A2059 -8.008 -5.401 0.953 1.00 0.49 O ATOM 202 CB GLN A2059 -11.154 -5.151 1.810 1.00 0.57 C ATOM 203 CG GLN A2059 -12.589 -5.331 1.355 1.00 0.72 C ATOM 204 CD GLN A2059 -13.428 -4.121 1.695 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.175 -3.439 2.690 1.00 1.50 O ATOM 206 NE2 GLN A2059 -14.421 -3.834 0.870 1.00 1.19 N ATOM 0 H GLN A2059 -11.441 -7.484 2.522 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.253 -6.387 0.295 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.139 -5.083 2.898 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.783 -4.201 1.426 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.613 -5.502 0.279 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.015 -6.216 1.828 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.596 -4.425 0.057 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -15.012 -3.021 1.046 1.00 1.19 H new ATOM 215 N GLN A2060 -8.488 -6.045 3.059 1.00 0.44 N ATOM 216 CA GLN A2060 -7.170 -5.712 3.571 1.00 0.42 C ATOM 217 C GLN A2060 -6.112 -6.507 2.846 1.00 0.39 C ATOM 218 O GLN A2060 -5.263 -5.934 2.200 1.00 0.37 O ATOM 219 CB GLN A2060 -7.061 -5.991 5.072 1.00 0.45 C ATOM 220 CG GLN A2060 -8.154 -5.355 5.902 1.00 0.50 C ATOM 221 CD GLN A2060 -8.103 -5.762 7.364 1.00 0.60 C ATOM 222 OE1 GLN A2060 -9.134 -5.829 8.035 1.00 0.78 O ATOM 223 NE2 GLN A2060 -6.910 -6.037 7.869 1.00 0.95 N ATOM 0 H GLN A2060 -9.134 -6.416 3.756 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.017 -4.646 3.403 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.079 -7.069 5.232 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.095 -5.632 5.428 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.073 -4.270 5.830 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.124 -5.630 5.488 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.079 -5.970 7.281 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -6.822 -6.316 8.846 1.00 0.95 H new ATOM 232 N GLN A2061 -6.189 -7.826 2.946 1.00 0.41 N ATOM 233 CA GLN A2061 -5.227 -8.714 2.298 1.00 0.42 C ATOM 234 C GLN A2061 -5.088 -8.406 0.811 1.00 0.43 C ATOM 235 O GLN A2061 -4.003 -8.502 0.240 1.00 0.41 O ATOM 236 CB GLN A2061 -5.668 -10.146 2.498 1.00 0.51 C ATOM 237 CG GLN A2061 -5.690 -10.542 3.960 1.00 0.56 C ATOM 238 CD GLN A2061 -6.429 -11.839 4.213 1.00 0.67 C ATOM 239 OE1 GLN A2061 -5.843 -12.920 4.181 1.00 1.03 O ATOM 240 NE2 GLN A2061 -7.724 -11.739 4.465 1.00 1.32 N ATOM 0 H GLN A2061 -6.914 -8.311 3.474 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.249 -8.558 2.753 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.662 -10.280 2.073 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -4.996 -10.810 1.954 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.666 -10.638 4.320 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.157 -9.746 4.539 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -8.171 -10.822 4.482 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -8.275 -12.579 4.642 1.00 1.32 H new ATOM 249 N THR A2062 -6.200 -8.046 0.201 1.00 0.49 N ATOM 250 CA THR A2062 -6.218 -7.548 -1.168 1.00 0.55 C ATOM 251 C THR A2062 -5.245 -6.388 -1.356 1.00 0.49 C ATOM 252 O THR A2062 -4.336 -6.445 -2.187 1.00 0.48 O ATOM 253 CB THR A2062 -7.628 -7.068 -1.535 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.544 -8.169 -1.508 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.636 -6.417 -2.908 1.00 0.77 C ATOM 0 H THR A2062 -7.121 -8.089 0.638 1.00 0.49 H new ATOM 0 HA THR A2062 -5.916 -8.370 -1.817 1.00 0.55 H new ATOM 0 HB THR A2062 -7.940 -6.325 -0.801 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.833 -8.332 -0.586 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.646 -6.084 -3.147 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.962 -5.560 -2.908 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.305 -7.139 -3.655 1.00 0.77 H new ATOM 263 N LEU A2063 -5.426 -5.347 -0.563 1.00 0.50 N ATOM 264 CA LEU A2063 -4.652 -4.138 -0.708 1.00 0.53 C ATOM 265 C LEU A2063 -3.301 -4.321 -0.046 1.00 0.44 C ATOM 266 O LEU A2063 -2.349 -3.597 -0.307 1.00 0.47 O ATOM 267 CB LEU A2063 -5.424 -2.977 -0.098 1.00 0.69 C ATOM 268 CG LEU A2063 -5.621 -3.005 1.410 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.519 -2.228 2.104 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.981 -2.439 1.762 1.00 1.22 C ATOM 0 H LEU A2063 -6.110 -5.320 0.193 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.481 -3.918 -1.762 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.908 -2.052 -0.357 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.406 -2.937 -0.569 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.573 -4.038 1.754 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -4.676 -2.259 3.182 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.553 -2.674 1.865 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.535 -1.192 1.764 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.116 -2.462 2.843 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -7.049 -1.410 1.410 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.758 -3.037 1.287 1.00 1.22 H new ATOM 282 N ALA A2064 -3.258 -5.314 0.808 1.00 0.39 N ATOM 283 CA ALA A2064 -2.048 -5.754 1.466 1.00 0.38 C ATOM 284 C ALA A2064 -1.109 -6.315 0.420 1.00 0.37 C ATOM 285 O ALA A2064 0.081 -6.007 0.387 1.00 0.51 O ATOM 286 CB ALA A2064 -2.394 -6.819 2.497 1.00 0.38 C ATOM 0 H ALA A2064 -4.083 -5.853 1.073 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.565 -4.920 1.976 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.484 -7.153 2.995 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.079 -6.402 3.235 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.867 -7.666 2.000 1.00 0.38 H new ATOM 292 N THR A2065 -1.686 -7.135 -0.443 1.00 0.28 N ATOM 293 CA THR A2065 -0.998 -7.677 -1.591 1.00 0.28 C ATOM 294 C THR A2065 -0.638 -6.561 -2.573 1.00 0.27 C ATOM 295 O THR A2065 0.395 -6.618 -3.238 1.00 0.25 O ATOM 296 CB THR A2065 -1.880 -8.742 -2.269 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.068 -9.849 -1.374 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.269 -9.239 -3.572 1.00 0.41 C ATOM 0 H THR A2065 -2.655 -7.443 -0.361 1.00 0.28 H new ATOM 0 HA THR A2065 -0.071 -8.148 -1.264 1.00 0.28 H new ATOM 0 HB THR A2065 -2.839 -8.280 -2.505 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.704 -9.598 -0.672 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.923 -9.989 -4.018 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.153 -8.403 -4.262 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.293 -9.682 -3.371 1.00 0.41 H new ATOM 306 N LEU A2066 -1.487 -5.539 -2.643 1.00 0.29 N ATOM 307 CA LEU A2066 -1.196 -4.353 -3.433 1.00 0.28 C ATOM 308 C LEU A2066 0.057 -3.682 -2.878 1.00 0.23 C ATOM 309 O LEU A2066 1.034 -3.471 -3.596 1.00 0.22 O ATOM 310 CB LEU A2066 -2.372 -3.386 -3.368 1.00 0.32 C ATOM 311 CG LEU A2066 -2.506 -2.385 -4.521 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.892 -1.023 -3.975 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.238 -2.280 -5.358 1.00 1.35 C ATOM 0 H LEU A2066 -2.384 -5.512 -2.159 1.00 0.29 H new ATOM 0 HA LEU A2066 -1.031 -4.636 -4.473 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.291 -3.971 -3.317 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.299 -2.824 -2.437 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.289 -2.754 -5.183 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.986 -0.314 -4.798 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.844 -1.098 -3.450 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.123 -0.677 -3.284 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.390 -1.557 -6.160 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.411 -1.953 -4.727 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -1.004 -3.254 -5.787 1.00 1.35 H new ATOM 325 N VAL A2067 0.012 -3.370 -1.587 1.00 0.21 N ATOM 326 CA VAL A2067 1.137 -2.764 -0.890 1.00 0.18 C ATOM 327 C VAL A2067 2.407 -3.581 -1.107 1.00 0.16 C ATOM 328 O VAL A2067 3.465 -3.054 -1.460 1.00 0.17 O ATOM 329 CB VAL A2067 0.867 -2.674 0.628 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.109 -2.222 1.379 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.291 -1.741 0.918 1.00 0.22 C ATOM 0 H VAL A2067 -0.804 -3.530 -0.997 1.00 0.21 H new ATOM 0 HA VAL A2067 1.266 -1.761 -1.296 1.00 0.18 H new ATOM 0 HB VAL A2067 0.601 -3.672 0.975 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.890 -2.168 2.445 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.916 -2.935 1.210 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.413 -1.239 1.020 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.461 -1.695 1.994 1.00 0.22 H new ATOM 0 HG22 VAL A2067 -0.057 -0.744 0.545 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.189 -2.112 0.424 1.00 0.22 H new ATOM 341 N ALA A2068 2.270 -4.875 -0.889 1.00 0.15 N ATOM 342 CA ALA A2068 3.363 -5.814 -1.022 1.00 0.15 C ATOM 343 C ALA A2068 3.929 -5.830 -2.442 1.00 0.14 C ATOM 344 O ALA A2068 5.137 -5.723 -2.629 1.00 0.13 O ATOM 345 CB ALA A2068 2.875 -7.188 -0.608 1.00 0.17 C ATOM 0 H ALA A2068 1.388 -5.306 -0.612 1.00 0.15 H new ATOM 0 HA ALA A2068 4.180 -5.504 -0.370 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.689 -7.907 -0.703 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.537 -7.157 0.428 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.048 -7.489 -1.251 1.00 0.17 H new ATOM 351 N ALA A2069 3.053 -5.956 -3.434 1.00 0.17 N ATOM 352 CA ALA A2069 3.461 -5.970 -4.835 1.00 0.18 C ATOM 353 C ALA A2069 4.130 -4.657 -5.219 1.00 0.19 C ATOM 354 O ALA A2069 5.035 -4.624 -6.059 1.00 0.21 O ATOM 355 CB ALA A2069 2.263 -6.227 -5.739 1.00 0.23 C ATOM 0 H ALA A2069 2.047 -6.051 -3.291 1.00 0.17 H new ATOM 0 HA ALA A2069 4.181 -6.778 -4.966 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.587 -6.234 -6.780 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.820 -7.191 -5.491 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.523 -5.440 -5.595 1.00 0.23 H new ATOM 361 N ALA A2070 3.683 -3.579 -4.587 1.00 0.19 N ATOM 362 CA ALA A2070 4.220 -2.259 -4.855 1.00 0.21 C ATOM 363 C ALA A2070 5.676 -2.191 -4.449 1.00 0.20 C ATOM 364 O ALA A2070 6.521 -1.707 -5.204 1.00 0.23 O ATOM 365 CB ALA A2070 3.418 -1.199 -4.120 1.00 0.24 C ATOM 0 H ALA A2070 2.946 -3.598 -3.882 1.00 0.19 H new ATOM 0 HA ALA A2070 4.147 -2.068 -5.926 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.835 -0.215 -4.333 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.380 -1.233 -4.452 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.462 -1.388 -3.047 1.00 0.24 H new ATOM 371 N THR A2071 5.984 -2.703 -3.266 1.00 0.18 N ATOM 372 CA THR A2071 7.337 -2.616 -2.767 1.00 0.21 C ATOM 373 C THR A2071 8.168 -3.781 -3.281 1.00 0.21 C ATOM 374 O THR A2071 9.371 -3.666 -3.446 1.00 0.27 O ATOM 375 CB THR A2071 7.384 -2.495 -1.238 1.00 0.22 C ATOM 376 OG1 THR A2071 8.716 -2.254 -0.790 1.00 0.28 O ATOM 377 CG2 THR A2071 6.841 -3.727 -0.561 1.00 0.23 C ATOM 0 H THR A2071 5.324 -3.174 -2.647 1.00 0.18 H new ATOM 0 HA THR A2071 7.779 -1.697 -3.152 1.00 0.21 H new ATOM 0 HB THR A2071 6.752 -1.649 -0.967 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.724 -2.179 0.187 1.00 0.28 H new ATOM 0 HG21 THR A2071 6.892 -3.600 0.520 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.804 -3.879 -0.860 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.434 -4.594 -0.853 1.00 0.23 H new ATOM 385 N ALA A2072 7.511 -4.885 -3.586 1.00 0.18 N ATOM 386 CA ALA A2072 8.138 -5.964 -4.333 1.00 0.22 C ATOM 387 C ALA A2072 8.797 -5.392 -5.580 1.00 0.26 C ATOM 388 O ALA A2072 9.936 -5.720 -5.905 1.00 0.31 O ATOM 389 CB ALA A2072 7.082 -6.985 -4.707 1.00 0.22 C ATOM 0 H ALA A2072 6.540 -5.060 -3.328 1.00 0.18 H new ATOM 0 HA ALA A2072 8.901 -6.452 -3.726 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.544 -7.798 -5.268 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.624 -7.383 -3.802 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.317 -6.509 -5.321 1.00 0.22 H new ATOM 395 N THR A2073 8.075 -4.511 -6.250 1.00 0.27 N ATOM 396 CA THR A2073 8.595 -3.806 -7.402 1.00 0.34 C ATOM 397 C THR A2073 9.639 -2.770 -6.982 1.00 0.37 C ATOM 398 O THR A2073 10.740 -2.721 -7.529 1.00 0.43 O ATOM 399 CB THR A2073 7.450 -3.104 -8.152 1.00 0.38 C ATOM 400 OG1 THR A2073 6.461 -4.068 -8.532 1.00 0.40 O ATOM 401 CG2 THR A2073 7.970 -2.381 -9.382 1.00 0.46 C ATOM 0 H THR A2073 7.114 -4.267 -6.009 1.00 0.27 H new ATOM 0 HA THR A2073 9.070 -4.535 -8.059 1.00 0.34 H new ATOM 0 HB THR A2073 7.002 -2.365 -7.487 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.928 -4.317 -7.748 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.141 -1.893 -9.895 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.702 -1.632 -9.081 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.440 -3.099 -10.054 1.00 0.46 H new ATOM 409 N VAL A2074 9.280 -1.965 -5.990 1.00 0.36 N ATOM 410 CA VAL A2074 10.104 -0.874 -5.518 1.00 0.41 C ATOM 411 C VAL A2074 11.484 -1.332 -5.010 1.00 0.47 C ATOM 412 O VAL A2074 12.492 -0.694 -5.307 1.00 0.56 O ATOM 413 CB VAL A2074 9.310 -0.120 -4.438 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.035 -0.039 -3.111 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.912 1.249 -4.930 1.00 0.37 C ATOM 0 H VAL A2074 8.397 -2.058 -5.489 1.00 0.36 H new ATOM 0 HA VAL A2074 10.329 -0.210 -6.353 1.00 0.41 H new ATOM 0 HB VAL A2074 8.407 -0.701 -4.250 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.421 0.505 -2.393 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.224 -1.045 -2.738 1.00 0.38 H new ATOM 0 HG13 VAL A2074 10.983 0.482 -3.246 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.351 1.767 -4.152 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.806 1.822 -5.175 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.290 1.149 -5.820 1.00 0.37 H new ATOM 425 N LEU A2075 11.539 -2.434 -4.260 1.00 0.43 N ATOM 426 CA LEU A2075 12.808 -2.937 -3.753 1.00 0.52 C ATOM 427 C LEU A2075 13.542 -3.695 -4.851 1.00 0.60 C ATOM 428 O LEU A2075 14.767 -3.825 -4.832 1.00 0.74 O ATOM 429 CB LEU A2075 12.584 -3.867 -2.560 1.00 0.49 C ATOM 430 CG LEU A2075 11.438 -3.469 -1.625 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.099 -4.598 -0.668 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.772 -2.203 -0.856 1.00 0.52 C ATOM 0 H LEU A2075 10.725 -2.988 -3.994 1.00 0.43 H new ATOM 0 HA LEU A2075 13.408 -2.086 -3.430 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.392 -4.872 -2.935 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.505 -3.914 -1.979 1.00 0.49 H new ATOM 0 HG LEU A2075 10.563 -3.270 -2.243 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.282 -4.289 -0.016 1.00 0.46 H new ATOM 0 HD12 LEU A2075 10.797 -5.478 -1.236 1.00 0.46 H new ATOM 0 HD13 LEU A2075 11.974 -4.839 -0.065 1.00 0.46 H new ATOM 0 HD21 LEU A2075 10.940 -1.945 -0.201 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.668 -2.367 -0.257 1.00 0.52 H new ATOM 0 HD23 LEU A2075 11.948 -1.387 -1.557 1.00 0.52 H new ATOM 444 N GLY A2076 12.771 -4.196 -5.809 1.00 0.57 N ATOM 445 CA GLY A2076 13.340 -4.902 -6.936 1.00 0.67 C ATOM 446 C GLY A2076 13.377 -6.400 -6.733 1.00 0.65 C ATOM 447 O GLY A2076 14.437 -7.015 -6.835 1.00 0.93 O ATOM 0 H GLY A2076 11.754 -4.124 -5.822 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.760 -4.676 -7.831 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.353 -4.539 -7.112 1.00 0.67 H new ATOM 451 N HIS A2077 12.225 -7.000 -6.445 1.00 0.51 N ATOM 452 CA HIS A2077 12.173 -8.442 -6.236 1.00 0.66 C ATOM 453 C HIS A2077 10.832 -9.047 -6.675 1.00 0.68 C ATOM 454 O HIS A2077 10.656 -10.260 -6.638 1.00 0.97 O ATOM 455 CB HIS A2077 12.512 -8.782 -4.777 1.00 0.81 C ATOM 456 CG HIS A2077 11.444 -8.550 -3.765 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.624 -9.547 -3.298 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.141 -7.450 -3.053 1.00 0.74 C ATOM 459 CE1 HIS A2077 9.868 -9.064 -2.337 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.162 -7.793 -2.163 1.00 0.80 N ATOM 0 H HIS A2077 11.330 -6.519 -6.352 1.00 0.51 H new ATOM 0 HA HIS A2077 12.929 -8.900 -6.874 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.800 -9.832 -4.732 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.386 -8.199 -4.487 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.604 -10.507 -3.641 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.589 -6.474 -3.164 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.127 -9.619 -1.781 1.00 0.61 H new ATOM 469 N HIS A2078 9.895 -8.186 -7.073 1.00 0.62 N ATOM 470 CA HIS A2078 8.642 -8.588 -7.743 1.00 0.69 C ATOM 471 C HIS A2078 7.645 -9.357 -6.864 1.00 0.80 C ATOM 472 O HIS A2078 6.438 -9.205 -7.049 1.00 1.56 O ATOM 473 CB HIS A2078 8.927 -9.387 -9.019 1.00 0.81 C ATOM 474 CG HIS A2078 9.373 -8.534 -10.165 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.516 -7.726 -10.880 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.599 -8.345 -10.704 1.00 0.96 C ATOM 477 CE1 HIS A2078 9.195 -7.077 -11.806 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.463 -7.435 -11.723 1.00 1.05 N ATOM 0 H HIS A2078 9.978 -7.178 -6.941 1.00 0.62 H new ATOM 0 HA HIS A2078 8.157 -7.643 -7.987 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.695 -10.132 -8.809 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.027 -9.930 -9.308 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.516 -8.822 -10.391 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.783 -6.372 -12.513 1.00 1.03 H new ATOM 0 HE2 HIS A2078 11.217 -7.092 -12.318 1.00 1.05 H new ATOM 487 N THR A2079 8.106 -10.177 -5.931 1.00 0.64 N ATOM 488 CA THR A2079 7.179 -10.970 -5.131 1.00 0.67 C ATOM 489 C THR A2079 6.539 -10.188 -3.988 1.00 0.44 C ATOM 490 O THR A2079 7.224 -9.649 -3.127 1.00 0.54 O ATOM 491 CB THR A2079 7.815 -12.198 -4.512 1.00 1.02 C ATOM 492 OG1 THR A2079 9.091 -11.875 -3.947 1.00 1.82 O ATOM 493 CG2 THR A2079 7.950 -13.326 -5.504 1.00 0.59 C ATOM 0 H THR A2079 9.093 -10.311 -5.711 1.00 0.64 H new ATOM 0 HA THR A2079 6.421 -11.263 -5.858 1.00 0.67 H new ATOM 0 HB THR A2079 7.152 -12.539 -3.717 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.486 -12.679 -3.550 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.411 -14.186 -5.017 1.00 0.59 H new ATOM 0 HG22 THR A2079 6.964 -13.604 -5.875 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.574 -13.004 -6.338 1.00 0.59 H new ATOM 501 N PRO A2080 5.210 -10.149 -3.951 1.00 0.29 N ATOM 502 CA PRO A2080 4.446 -9.541 -2.868 1.00 0.32 C ATOM 503 C PRO A2080 4.275 -10.510 -1.704 1.00 0.45 C ATOM 504 O PRO A2080 3.929 -10.120 -0.593 1.00 0.51 O ATOM 505 CB PRO A2080 3.088 -9.243 -3.533 1.00 0.39 C ATOM 506 CG PRO A2080 3.294 -9.553 -4.980 1.00 0.39 C ATOM 507 CD PRO A2080 4.321 -10.639 -4.984 1.00 0.32 C ATOM 0 HA PRO A2080 4.928 -8.659 -2.447 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.295 -9.857 -3.106 1.00 0.39 H new ATOM 0 HB3 PRO A2080 2.797 -8.202 -3.389 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.368 -9.880 -5.452 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.640 -8.677 -5.529 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.898 -11.614 -4.741 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.818 -10.739 -5.949 1.00 0.32 H new ATOM 515 N GLU A2081 4.531 -11.782 -1.972 1.00 0.53 N ATOM 516 CA GLU A2081 4.446 -12.813 -0.951 1.00 0.64 C ATOM 517 C GLU A2081 5.708 -12.828 -0.095 1.00 0.56 C ATOM 518 O GLU A2081 5.706 -13.336 1.026 1.00 0.70 O ATOM 519 CB GLU A2081 4.227 -14.180 -1.597 1.00 0.84 C ATOM 520 CG GLU A2081 5.203 -14.485 -2.721 1.00 0.93 C ATOM 521 CD GLU A2081 5.053 -15.891 -3.252 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.210 -16.105 -4.151 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.775 -16.789 -2.776 1.00 1.45 O ATOM 0 H GLU A2081 4.801 -12.125 -2.894 1.00 0.53 H new ATOM 0 HA GLU A2081 3.596 -12.590 -0.306 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.314 -14.952 -0.832 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.210 -14.230 -1.986 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.050 -13.775 -3.534 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.222 -14.343 -2.361 1.00 0.93 H new ATOM 530 N SER A2082 6.782 -12.252 -0.621 1.00 0.43 N ATOM 531 CA SER A2082 8.041 -12.193 0.106 1.00 0.43 C ATOM 532 C SER A2082 8.142 -10.871 0.867 1.00 0.33 C ATOM 533 O SER A2082 9.231 -10.411 1.207 1.00 0.38 O ATOM 534 CB SER A2082 9.213 -12.364 -0.861 1.00 0.54 C ATOM 535 OG SER A2082 10.446 -12.508 -0.174 1.00 0.63 O ATOM 0 H SER A2082 6.805 -11.821 -1.545 1.00 0.43 H new ATOM 0 HA SER A2082 8.078 -13.007 0.830 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.042 -13.239 -1.488 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.265 -11.501 -1.525 1.00 0.54 H new ATOM 0 HG SER A2082 10.524 -11.809 0.509 1.00 0.63 H new ATOM 541 N ILE A2083 6.990 -10.267 1.119 1.00 0.25 N ATOM 542 CA ILE A2083 6.914 -8.996 1.825 1.00 0.17 C ATOM 543 C ILE A2083 6.425 -9.209 3.252 1.00 0.15 C ATOM 544 O ILE A2083 5.271 -9.589 3.468 1.00 0.22 O ATOM 545 CB ILE A2083 5.949 -8.031 1.103 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.281 -7.980 -0.386 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.013 -6.630 1.713 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.540 -7.225 -0.704 1.00 0.22 C ATOM 0 H ILE A2083 6.084 -10.643 0.841 1.00 0.25 H new ATOM 0 HA ILE A2083 7.914 -8.562 1.843 1.00 0.17 H new ATOM 0 HB ILE A2083 4.932 -8.404 1.228 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.375 -8.999 -0.762 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.449 -7.519 -0.918 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.323 -5.971 1.185 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.734 -6.678 2.766 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.027 -6.240 1.624 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.707 -7.234 -1.781 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.443 -6.195 -0.360 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.384 -7.697 -0.202 1.00 0.22 H new ATOM 560 N SER A2084 7.303 -8.986 4.218 1.00 0.14 N ATOM 561 CA SER A2084 6.945 -9.113 5.623 1.00 0.14 C ATOM 562 C SER A2084 6.259 -7.841 6.119 1.00 0.12 C ATOM 563 O SER A2084 6.890 -6.790 6.215 1.00 0.12 O ATOM 564 CB SER A2084 8.193 -9.386 6.461 1.00 0.19 C ATOM 565 OG SER A2084 8.887 -10.529 5.985 1.00 0.28 O ATOM 0 H SER A2084 8.273 -8.715 4.054 1.00 0.14 H new ATOM 0 HA SER A2084 6.253 -9.949 5.727 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.852 -8.518 6.432 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.910 -9.536 7.503 1.00 0.19 H new ATOM 0 HG SER A2084 9.683 -10.682 6.536 1.00 0.28 H new ATOM 571 N PRO A2085 4.957 -7.920 6.444 1.00 0.12 N ATOM 572 CA PRO A2085 4.187 -6.761 6.899 1.00 0.12 C ATOM 573 C PRO A2085 4.641 -6.255 8.250 1.00 0.12 C ATOM 574 O PRO A2085 4.508 -5.070 8.556 1.00 0.13 O ATOM 575 CB PRO A2085 2.755 -7.273 7.004 1.00 0.15 C ATOM 576 CG PRO A2085 2.863 -8.758 7.082 1.00 0.15 C ATOM 577 CD PRO A2085 4.137 -9.141 6.380 1.00 0.14 C ATOM 0 HA PRO A2085 4.307 -5.924 6.211 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.259 -6.870 7.887 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.166 -6.968 6.139 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.879 -9.090 8.120 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.004 -9.233 6.609 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.629 -9.979 6.874 1.00 0.14 H new ATOM 0 HD3 PRO A2085 3.950 -9.443 5.350 1.00 0.14 H new ATOM 585 N ALA A2086 5.160 -7.162 9.054 1.00 0.11 N ATOM 586 CA ALA A2086 5.593 -6.824 10.393 1.00 0.12 C ATOM 587 C ALA A2086 6.917 -6.073 10.367 1.00 0.11 C ATOM 588 O ALA A2086 7.251 -5.348 11.305 1.00 0.14 O ATOM 589 CB ALA A2086 5.713 -8.077 11.238 1.00 0.14 C ATOM 0 H ALA A2086 5.292 -8.141 8.801 1.00 0.11 H new ATOM 0 HA ALA A2086 4.843 -6.170 10.837 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.039 -7.808 12.243 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.744 -8.574 11.292 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.442 -8.751 10.788 1.00 0.14 H new ATOM 595 N THR A2087 7.672 -6.258 9.298 1.00 0.10 N ATOM 596 CA THR A2087 8.904 -5.529 9.116 1.00 0.11 C ATOM 597 C THR A2087 8.597 -4.166 8.548 1.00 0.10 C ATOM 598 O THR A2087 7.639 -3.982 7.801 1.00 0.10 O ATOM 599 CB THR A2087 9.865 -6.250 8.162 1.00 0.14 C ATOM 600 OG1 THR A2087 10.097 -7.587 8.624 1.00 0.16 O ATOM 601 CG2 THR A2087 11.195 -5.505 8.028 1.00 0.16 C ATOM 0 H THR A2087 7.449 -6.909 8.545 1.00 0.10 H new ATOM 0 HA THR A2087 9.385 -5.449 10.091 1.00 0.11 H new ATOM 0 HB THR A2087 9.400 -6.278 7.177 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.710 -8.043 8.010 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.848 -6.047 7.344 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.013 -4.503 7.639 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.672 -5.433 9.005 1.00 0.16 H new ATOM 609 N ALA A2088 9.420 -3.227 8.909 1.00 0.12 N ATOM 610 CA ALA A2088 9.273 -1.871 8.449 1.00 0.12 C ATOM 611 C ALA A2088 9.890 -1.732 7.078 1.00 0.11 C ATOM 612 O ALA A2088 10.919 -2.343 6.786 1.00 0.12 O ATOM 613 CB ALA A2088 9.907 -0.911 9.431 1.00 0.15 C ATOM 0 H ALA A2088 10.214 -3.376 9.531 1.00 0.12 H new ATOM 0 HA ALA A2088 8.213 -1.626 8.380 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.788 0.110 9.070 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.422 -1.011 10.402 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.968 -1.140 9.530 1.00 0.15 H new ATOM 619 N PHE A2089 9.236 -0.939 6.243 1.00 0.10 N ATOM 620 CA PHE A2089 9.678 -0.710 4.871 1.00 0.09 C ATOM 621 C PHE A2089 11.151 -0.357 4.800 1.00 0.09 C ATOM 622 O PHE A2089 11.834 -0.728 3.849 1.00 0.12 O ATOM 623 CB PHE A2089 8.870 0.412 4.238 1.00 0.09 C ATOM 624 CG PHE A2089 7.562 -0.037 3.672 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.521 -0.868 2.564 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.374 0.368 4.244 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.316 -1.286 2.044 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.168 -0.046 3.725 1.00 0.12 C ATOM 629 CZ PHE A2089 5.138 -0.876 2.624 1.00 0.10 C ATOM 0 H PHE A2089 8.385 -0.436 6.494 1.00 0.10 H new ATOM 0 HA PHE A2089 9.521 -1.641 4.326 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.687 1.183 4.986 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.461 0.871 3.445 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.443 -1.191 2.104 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.390 1.016 5.108 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.296 -1.935 1.181 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.244 0.280 4.180 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.192 -1.203 2.218 1.00 0.10 H new ATOM 639 N LYS A2090 11.620 0.378 5.794 1.00 0.12 N ATOM 640 CA LYS A2090 13.022 0.691 5.918 1.00 0.16 C ATOM 641 C LYS A2090 13.863 -0.571 5.808 1.00 0.17 C ATOM 642 O LYS A2090 14.639 -0.734 4.866 1.00 0.20 O ATOM 643 CB LYS A2090 13.291 1.345 7.264 1.00 0.21 C ATOM 644 CG LYS A2090 14.760 1.588 7.513 1.00 0.29 C ATOM 645 CD LYS A2090 15.328 2.495 6.453 1.00 0.38 C ATOM 646 CE LYS A2090 16.247 1.736 5.525 1.00 1.54 C ATOM 647 NZ LYS A2090 16.640 2.539 4.337 1.00 1.69 N ATOM 0 H LYS A2090 11.037 0.771 6.533 1.00 0.12 H new ATOM 0 HA LYS A2090 13.291 1.375 5.113 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.757 2.294 7.315 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.893 0.712 8.057 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.900 2.036 8.497 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.297 0.639 7.515 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.516 2.943 5.880 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.875 3.312 6.924 1.00 0.38 H new ATOM 0 HE2 LYS A2090 17.142 1.436 6.070 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.753 0.822 5.195 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.385 2.039 3.811 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.813 2.675 3.721 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.997 3.465 4.647 1.00 1.69 H new ATOM 661 N ASP A2091 13.688 -1.453 6.778 1.00 0.17 N ATOM 662 CA ASP A2091 14.433 -2.707 6.831 1.00 0.20 C ATOM 663 C ASP A2091 14.255 -3.506 5.538 1.00 0.20 C ATOM 664 O ASP A2091 15.161 -4.211 5.095 1.00 0.32 O ATOM 665 CB ASP A2091 13.983 -3.544 8.029 1.00 0.24 C ATOM 666 CG ASP A2091 14.835 -4.785 8.236 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.589 -5.812 7.568 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.749 -4.743 9.083 1.00 1.15 O ATOM 0 H ASP A2091 13.031 -1.325 7.548 1.00 0.17 H new ATOM 0 HA ASP A2091 15.490 -2.466 6.943 1.00 0.20 H new ATOM 0 HB2 ASP A2091 14.019 -2.930 8.929 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.944 -3.842 7.888 1.00 0.24 H new ATOM 673 N LEU A2092 13.087 -3.366 4.930 1.00 0.16 N ATOM 674 CA LEU A2092 12.757 -4.072 3.699 1.00 0.18 C ATOM 675 C LEU A2092 13.514 -3.510 2.494 1.00 0.19 C ATOM 676 O LEU A2092 13.634 -4.176 1.464 1.00 0.24 O ATOM 677 CB LEU A2092 11.246 -4.011 3.482 1.00 0.17 C ATOM 678 CG LEU A2092 10.444 -4.718 4.575 1.00 0.19 C ATOM 679 CD1 LEU A2092 8.965 -4.416 4.472 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.674 -6.210 4.504 1.00 0.23 C ATOM 0 H LEU A2092 12.341 -2.761 5.274 1.00 0.16 H new ATOM 0 HA LEU A2092 13.069 -5.112 3.798 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.936 -2.967 3.432 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.007 -4.461 2.518 1.00 0.17 H new ATOM 0 HG LEU A2092 10.792 -4.341 5.537 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.431 -4.937 5.266 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.805 -3.342 4.571 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.592 -4.750 3.504 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.098 -6.705 5.287 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.356 -6.581 3.530 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.734 -6.422 4.644 1.00 0.23 H new ATOM 692 N GLY A2093 14.037 -2.297 2.625 1.00 0.16 N ATOM 693 CA GLY A2093 14.864 -1.736 1.572 1.00 0.18 C ATOM 694 C GLY A2093 14.343 -0.424 1.022 1.00 0.15 C ATOM 695 O GLY A2093 14.841 0.067 0.009 1.00 0.20 O ATOM 0 H GLY A2093 13.905 -1.694 3.437 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.872 -1.584 1.957 1.00 0.18 H new ATOM 0 HA3 GLY A2093 14.939 -2.457 0.758 1.00 0.18 H new ATOM 699 N ILE A2094 13.338 0.142 1.669 1.00 0.13 N ATOM 700 CA ILE A2094 12.778 1.409 1.239 1.00 0.12 C ATOM 701 C ILE A2094 13.665 2.593 1.616 1.00 0.12 C ATOM 702 O ILE A2094 14.100 2.728 2.765 1.00 0.16 O ATOM 703 CB ILE A2094 11.374 1.595 1.837 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.362 0.776 1.037 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.986 3.064 1.885 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.855 1.475 -0.199 1.00 0.32 C ATOM 0 H ILE A2094 12.894 -0.258 2.495 1.00 0.13 H new ATOM 0 HA ILE A2094 12.715 1.382 0.151 1.00 0.12 H new ATOM 0 HB ILE A2094 11.379 1.234 2.865 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.822 -0.169 0.746 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.515 0.534 1.679 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.988 3.163 2.313 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.701 3.609 2.501 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.990 3.475 0.875 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.141 0.832 -0.714 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.365 2.406 0.085 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.692 1.693 -0.863 1.00 0.32 H new ATOM 718 N ASP A2095 13.947 3.435 0.630 1.00 0.15 N ATOM 719 CA ASP A2095 14.592 4.718 0.872 1.00 0.19 C ATOM 720 C ASP A2095 13.600 5.839 0.587 1.00 0.16 C ATOM 721 O ASP A2095 12.471 5.558 0.200 1.00 0.17 O ATOM 722 CB ASP A2095 15.856 4.872 0.024 1.00 0.28 C ATOM 723 CG ASP A2095 17.007 4.042 0.557 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.686 4.502 1.499 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.241 2.931 0.038 1.00 1.86 O ATOM 0 H ASP A2095 13.737 3.250 -0.351 1.00 0.15 H new ATOM 0 HA ASP A2095 14.900 4.769 1.916 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.641 4.575 -1.003 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.149 5.922 -0.002 1.00 0.28 H new ATOM 730 N SER A2096 14.000 7.094 0.758 1.00 0.19 N ATOM 731 CA SER A2096 13.072 8.215 0.573 1.00 0.20 C ATOM 732 C SER A2096 12.511 8.242 -0.852 1.00 0.17 C ATOM 733 O SER A2096 11.348 8.603 -1.072 1.00 0.20 O ATOM 734 CB SER A2096 13.767 9.541 0.890 1.00 0.26 C ATOM 735 OG SER A2096 14.250 9.555 2.223 1.00 1.32 O ATOM 0 H SER A2096 14.948 7.364 1.021 1.00 0.19 H new ATOM 0 HA SER A2096 12.240 8.076 1.263 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.595 9.697 0.198 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.069 10.366 0.743 1.00 0.26 H new ATOM 0 HG SER A2096 14.691 10.411 2.402 1.00 1.32 H new ATOM 741 N LEU A2097 13.340 7.836 -1.803 1.00 0.17 N ATOM 742 CA LEU A2097 12.986 7.771 -3.189 1.00 0.19 C ATOM 743 C LEU A2097 11.882 6.755 -3.387 1.00 0.18 C ATOM 744 O LEU A2097 10.793 7.076 -3.833 1.00 0.24 O ATOM 745 CB LEU A2097 14.222 7.322 -3.957 1.00 0.23 C ATOM 746 CG LEU A2097 14.360 7.841 -5.370 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.010 7.909 -6.041 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.048 9.194 -5.373 1.00 1.55 C ATOM 0 H LEU A2097 14.297 7.538 -1.614 1.00 0.17 H new ATOM 0 HA LEU A2097 12.638 8.743 -3.540 1.00 0.19 H new ATOM 0 HB2 LEU A2097 15.104 7.627 -3.393 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.226 6.233 -3.991 1.00 0.23 H new ATOM 0 HG LEU A2097 14.981 7.149 -5.939 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.127 8.285 -7.057 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.568 6.913 -6.071 1.00 1.61 H new ATOM 0 HD13 LEU A2097 12.358 8.578 -5.480 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.139 9.553 -6.398 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.459 9.903 -4.791 1.00 1.55 H new ATOM 0 HD23 LEU A2097 16.040 9.099 -4.932 1.00 1.55 H new ATOM 760 N THR A2098 12.186 5.520 -3.082 1.00 0.14 N ATOM 761 CA THR A2098 11.204 4.470 -3.214 1.00 0.15 C ATOM 762 C THR A2098 10.002 4.626 -2.289 1.00 0.16 C ATOM 763 O THR A2098 8.915 4.139 -2.601 1.00 0.17 O ATOM 764 CB THR A2098 11.810 3.090 -3.049 1.00 0.15 C ATOM 765 OG1 THR A2098 12.972 3.153 -2.204 1.00 0.17 O ATOM 766 CG2 THR A2098 12.161 2.538 -4.412 1.00 0.19 C ATOM 0 H THR A2098 13.099 5.216 -2.743 1.00 0.14 H new ATOM 0 HA THR A2098 10.835 4.572 -4.235 1.00 0.15 H new ATOM 0 HB THR A2098 11.088 2.426 -2.573 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.353 2.256 -2.104 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.598 1.545 -4.301 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.259 2.472 -5.021 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.880 3.198 -4.898 1.00 0.19 H new ATOM 774 N ALA A2099 10.180 5.292 -1.155 1.00 0.16 N ATOM 775 CA ALA A2099 9.049 5.631 -0.298 1.00 0.18 C ATOM 776 C ALA A2099 8.085 6.534 -1.058 1.00 0.21 C ATOM 777 O ALA A2099 6.903 6.648 -0.732 1.00 0.24 O ATOM 778 CB ALA A2099 9.521 6.318 0.973 1.00 0.18 C ATOM 0 H ALA A2099 11.087 5.606 -0.809 1.00 0.16 H new ATOM 0 HA ALA A2099 8.536 4.712 -0.015 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.660 6.561 1.596 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.189 5.652 1.520 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.053 7.234 0.716 1.00 0.18 H new ATOM 784 N LEU A2100 8.621 7.151 -2.090 1.00 0.20 N ATOM 785 CA LEU A2100 7.876 8.014 -2.972 1.00 0.24 C ATOM 786 C LEU A2100 7.263 7.166 -4.077 1.00 0.20 C ATOM 787 O LEU A2100 6.070 7.267 -4.371 1.00 0.21 O ATOM 788 CB LEU A2100 8.859 9.082 -3.493 1.00 0.30 C ATOM 789 CG LEU A2100 8.547 9.812 -4.801 1.00 0.24 C ATOM 790 CD1 LEU A2100 8.785 8.942 -6.027 1.00 1.03 C ATOM 791 CD2 LEU A2100 7.140 10.388 -4.781 1.00 1.15 C ATOM 0 H LEU A2100 9.606 7.063 -2.341 1.00 0.20 H new ATOM 0 HA LEU A2100 7.050 8.523 -2.475 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.966 9.837 -2.714 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.832 8.604 -3.609 1.00 0.30 H new ATOM 0 HG LEU A2100 9.248 10.643 -4.879 1.00 0.24 H new ATOM 0 HD11 LEU A2100 8.548 9.509 -6.927 1.00 1.03 H new ATOM 0 HD12 LEU A2100 9.830 8.634 -6.057 1.00 1.03 H new ATOM 0 HD13 LEU A2100 8.147 8.059 -5.976 1.00 1.03 H new ATOM 0 HD21 LEU A2100 6.944 10.902 -5.722 1.00 1.15 H new ATOM 0 HD22 LEU A2100 6.418 9.581 -4.650 1.00 1.15 H new ATOM 0 HD23 LEU A2100 7.048 11.094 -3.956 1.00 1.15 H new ATOM 803 N GLU A2101 8.098 6.317 -4.668 1.00 0.21 N ATOM 804 CA GLU A2101 7.667 5.411 -5.733 1.00 0.20 C ATOM 805 C GLU A2101 6.508 4.522 -5.287 1.00 0.17 C ATOM 806 O GLU A2101 5.608 4.217 -6.075 1.00 0.17 O ATOM 807 CB GLU A2101 8.832 4.542 -6.188 1.00 0.23 C ATOM 808 CG GLU A2101 10.055 5.347 -6.562 1.00 0.28 C ATOM 809 CD GLU A2101 11.062 4.550 -7.365 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.197 4.347 -6.891 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.717 4.120 -8.486 1.00 0.45 O ATOM 0 H GLU A2101 9.086 6.236 -4.426 1.00 0.21 H new ATOM 0 HA GLU A2101 7.321 6.026 -6.564 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.092 3.845 -5.391 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.520 3.945 -7.045 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.747 6.220 -7.138 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.532 5.716 -5.654 1.00 0.28 H new ATOM 818 N LEU A2102 6.540 4.094 -4.029 1.00 0.16 N ATOM 819 CA LEU A2102 5.450 3.326 -3.455 1.00 0.16 C ATOM 820 C LEU A2102 4.150 4.085 -3.531 1.00 0.16 C ATOM 821 O LEU A2102 3.197 3.637 -4.163 1.00 0.21 O ATOM 822 CB LEU A2102 5.737 2.990 -2.004 1.00 0.22 C ATOM 823 CG LEU A2102 6.537 1.720 -1.783 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.283 1.184 -0.398 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.178 0.685 -2.826 1.00 1.13 C ATOM 0 H LEU A2102 7.314 4.269 -3.388 1.00 0.16 H new ATOM 0 HA LEU A2102 5.362 2.407 -4.034 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.276 3.824 -1.554 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.789 2.901 -1.474 1.00 0.22 H new ATOM 0 HG LEU A2102 7.598 1.951 -1.879 1.00 0.53 H new ATOM 0 HD11 LEU A2102 6.862 0.272 -0.249 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.581 1.928 0.340 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.222 0.963 -0.282 1.00 1.09 H new ATOM 0 HD21 LEU A2102 6.760 -0.221 -2.655 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.115 0.452 -2.757 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.400 1.077 -3.819 1.00 1.13 H new ATOM 837 N ARG A2103 4.125 5.227 -2.869 1.00 0.18 N ATOM 838 CA ARG A2103 2.984 6.126 -2.911 1.00 0.25 C ATOM 839 C ARG A2103 2.524 6.354 -4.345 1.00 0.22 C ATOM 840 O ARG A2103 1.332 6.299 -4.634 1.00 0.24 O ATOM 841 CB ARG A2103 3.353 7.457 -2.251 1.00 0.37 C ATOM 842 CG ARG A2103 2.257 8.507 -2.318 1.00 0.72 C ATOM 843 CD ARG A2103 2.396 9.411 -3.542 1.00 0.65 C ATOM 844 NE ARG A2103 1.276 10.347 -3.669 1.00 1.21 N ATOM 845 CZ ARG A2103 1.015 11.065 -4.765 1.00 1.49 C ATOM 846 NH1 ARG A2103 1.796 10.965 -5.834 1.00 1.92 N ATOM 847 NH2 ARG A2103 -0.030 11.888 -4.785 1.00 2.11 N ATOM 0 H ARG A2103 4.894 5.558 -2.287 1.00 0.18 H new ATOM 0 HA ARG A2103 2.160 5.670 -2.363 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.604 7.275 -1.206 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.249 7.852 -2.730 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.285 8.014 -2.341 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.284 9.116 -1.414 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.329 9.971 -3.474 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.457 8.797 -4.440 1.00 0.65 H new ATOM 0 HE ARG A2103 0.655 10.458 -2.868 1.00 1.21 H new ATOM 0 HH11 ARG A2103 2.600 10.338 -5.821 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.592 11.516 -6.668 1.00 1.92 H new ATOM 0 HH21 ARG A2103 -0.630 11.970 -3.964 1.00 2.11 H new ATOM 0 HH22 ARG A2103 -0.231 12.437 -5.621 1.00 2.11 H new ATOM 861 N ASN A2104 3.478 6.588 -5.235 1.00 0.21 N ATOM 862 CA ASN A2104 3.186 6.831 -6.639 1.00 0.22 C ATOM 863 C ASN A2104 2.441 5.662 -7.274 1.00 0.23 C ATOM 864 O ASN A2104 1.529 5.858 -8.075 1.00 0.29 O ATOM 865 CB ASN A2104 4.486 7.114 -7.391 1.00 0.23 C ATOM 866 CG ASN A2104 4.894 8.568 -7.301 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.064 9.446 -7.050 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.164 8.837 -7.535 1.00 0.36 N ATOM 0 H ASN A2104 4.471 6.615 -5.005 1.00 0.21 H new ATOM 0 HA ASN A2104 2.532 7.701 -6.705 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.282 6.489 -6.985 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.366 6.836 -8.438 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.493 9.802 -7.512 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.817 8.080 -7.739 1.00 0.36 H new ATOM 875 N THR A2105 2.815 4.450 -6.899 1.00 0.21 N ATOM 876 CA THR A2105 2.163 3.259 -7.417 1.00 0.24 C ATOM 877 C THR A2105 0.848 2.993 -6.682 1.00 0.22 C ATOM 878 O THR A2105 -0.173 2.687 -7.301 1.00 0.24 O ATOM 879 CB THR A2105 3.087 2.031 -7.289 1.00 0.28 C ATOM 880 OG1 THR A2105 4.380 2.337 -7.831 1.00 0.33 O ATOM 881 CG2 THR A2105 2.501 0.832 -8.019 1.00 0.28 C ATOM 0 H THR A2105 3.568 4.265 -6.237 1.00 0.21 H new ATOM 0 HA THR A2105 1.947 3.432 -8.471 1.00 0.24 H new ATOM 0 HB THR A2105 3.181 1.782 -6.232 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.845 2.960 -7.235 1.00 0.33 H new ATOM 0 HG21 THR A2105 3.171 -0.021 -7.914 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.529 0.585 -7.591 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.382 1.072 -9.076 1.00 0.28 H new ATOM 889 N LEU A2106 0.877 3.135 -5.363 1.00 0.20 N ATOM 890 CA LEU A2106 -0.279 2.848 -4.520 1.00 0.19 C ATOM 891 C LEU A2106 -1.418 3.829 -4.766 1.00 0.18 C ATOM 892 O LEU A2106 -2.564 3.417 -4.928 1.00 0.22 O ATOM 893 CB LEU A2106 0.125 2.879 -3.044 1.00 0.28 C ATOM 894 CG LEU A2106 1.148 1.818 -2.629 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.541 1.994 -1.173 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.590 0.425 -2.867 1.00 1.47 C ATOM 0 H LEU A2106 1.699 3.451 -4.848 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.636 1.852 -4.781 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.533 3.864 -2.815 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.771 2.756 -2.435 1.00 0.28 H new ATOM 0 HG LEU A2106 2.042 1.942 -3.240 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.269 1.230 -0.898 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.980 2.982 -1.031 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.657 1.897 -0.543 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.328 -0.319 -2.567 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.318 0.292 -2.280 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.359 0.301 -3.925 1.00 1.47 H new ATOM 908 N THR A2107 -1.112 5.120 -4.809 1.00 0.19 N ATOM 909 CA THR A2107 -2.142 6.132 -5.000 1.00 0.27 C ATOM 910 C THR A2107 -2.734 6.013 -6.407 1.00 0.29 C ATOM 911 O THR A2107 -3.898 6.335 -6.642 1.00 0.33 O ATOM 912 CB THR A2107 -1.596 7.561 -4.740 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.663 8.451 -4.414 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.846 8.118 -5.936 1.00 0.44 C ATOM 0 H THR A2107 -0.166 5.489 -4.715 1.00 0.19 H new ATOM 0 HA THR A2107 -2.933 5.957 -4.270 1.00 0.27 H new ATOM 0 HB THR A2107 -0.901 7.481 -3.905 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.447 8.236 -4.961 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.484 9.120 -5.704 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.000 7.471 -6.169 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.515 8.164 -6.796 1.00 0.44 H new ATOM 922 N HIS A2108 -1.921 5.519 -7.330 1.00 0.29 N ATOM 923 CA HIS A2108 -2.358 5.244 -8.689 1.00 0.35 C ATOM 924 C HIS A2108 -3.300 4.045 -8.706 1.00 0.35 C ATOM 925 O HIS A2108 -4.380 4.087 -9.292 1.00 0.47 O ATOM 926 CB HIS A2108 -1.137 4.966 -9.556 1.00 0.38 C ATOM 927 CG HIS A2108 -1.447 4.729 -10.999 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.650 5.739 -11.912 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.589 3.575 -11.675 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.908 5.209 -13.095 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.876 3.893 -12.978 1.00 1.29 N ATOM 0 H HIS A2108 -0.940 5.298 -7.157 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.895 6.108 -9.082 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.451 5.809 -9.478 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.616 4.094 -9.161 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.494 2.580 -11.266 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.111 5.758 -14.003 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.038 3.225 -13.731 1.00 1.29 H new ATOM 940 N ASN A2109 -2.868 2.984 -8.048 1.00 0.27 N ATOM 941 CA ASN A2109 -3.624 1.734 -7.994 1.00 0.28 C ATOM 942 C ASN A2109 -4.945 1.879 -7.241 1.00 0.28 C ATOM 943 O ASN A2109 -5.983 1.422 -7.712 1.00 0.36 O ATOM 944 CB ASN A2109 -2.776 0.636 -7.353 1.00 0.28 C ATOM 945 CG ASN A2109 -1.983 -0.148 -8.378 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.446 -1.165 -8.893 1.00 0.40 O ATOM 947 ND2 ASN A2109 -0.790 0.323 -8.690 1.00 0.39 N ATOM 0 H ASN A2109 -1.986 2.959 -7.536 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.867 1.462 -9.021 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.092 1.083 -6.631 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.424 -0.044 -6.800 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.216 -0.160 -9.381 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.442 1.170 -8.240 1.00 0.39 H new ATOM 954 N THR A2110 -4.909 2.540 -6.093 1.00 0.25 N ATOM 955 CA THR A2110 -6.079 2.654 -5.236 1.00 0.26 C ATOM 956 C THR A2110 -7.051 3.658 -5.826 1.00 0.27 C ATOM 957 O THR A2110 -8.261 3.588 -5.598 1.00 0.33 O ATOM 958 CB THR A2110 -5.676 3.073 -3.809 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.873 4.261 -3.856 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.901 1.957 -3.119 1.00 0.29 C ATOM 0 H THR A2110 -4.077 3.008 -5.733 1.00 0.25 H new ATOM 0 HA THR A2110 -6.563 1.679 -5.177 1.00 0.26 H new ATOM 0 HB THR A2110 -6.584 3.271 -3.239 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.947 4.022 -4.070 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.626 2.273 -2.113 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.523 1.064 -3.061 1.00 0.29 H new ATOM 0 HG23 THR A2110 -3.999 1.735 -3.689 1.00 0.29 H new ATOM 968 N GLY A2111 -6.503 4.582 -6.602 1.00 0.23 N ATOM 969 CA GLY A2111 -7.313 5.561 -7.281 1.00 0.26 C ATOM 970 C GLY A2111 -7.566 6.778 -6.422 1.00 0.29 C ATOM 971 O GLY A2111 -8.255 7.715 -6.829 1.00 0.36 O ATOM 0 H GLY A2111 -5.501 4.667 -6.772 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.818 5.865 -8.204 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.265 5.112 -7.563 1.00 0.26 H new ATOM 975 N LEU A2112 -7.004 6.756 -5.227 1.00 0.28 N ATOM 976 CA LEU A2112 -7.144 7.852 -4.288 1.00 0.34 C ATOM 977 C LEU A2112 -5.917 8.731 -4.354 1.00 0.29 C ATOM 978 O LEU A2112 -5.167 8.704 -5.331 1.00 0.29 O ATOM 979 CB LEU A2112 -7.300 7.319 -2.863 1.00 0.43 C ATOM 980 CG LEU A2112 -7.512 5.819 -2.736 1.00 0.33 C ATOM 981 CD1 LEU A2112 -7.162 5.391 -1.338 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.945 5.435 -3.047 1.00 0.47 C ATOM 0 H LEU A2112 -6.439 5.980 -4.882 1.00 0.28 H new ATOM 0 HA LEU A2112 -8.031 8.427 -4.553 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.410 7.590 -2.295 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -8.144 7.827 -2.396 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.868 5.315 -3.457 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.311 4.316 -1.238 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -6.119 5.633 -1.134 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.802 5.914 -0.627 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.062 4.356 -2.947 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.616 5.939 -2.351 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.189 5.733 -4.067 1.00 0.47 H new ATOM 994 N ASP A2113 -5.719 9.506 -3.310 1.00 0.28 N ATOM 995 CA ASP A2113 -4.585 10.399 -3.228 1.00 0.28 C ATOM 996 C ASP A2113 -3.969 10.333 -1.852 1.00 0.30 C ATOM 997 O ASP A2113 -4.605 10.638 -0.844 1.00 0.35 O ATOM 998 CB ASP A2113 -5.009 11.813 -3.540 1.00 0.34 C ATOM 999 CG ASP A2113 -3.900 12.824 -3.326 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.834 12.688 -3.958 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.104 13.773 -2.539 1.00 0.43 O ATOM 0 H ASP A2113 -6.336 9.535 -2.498 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.842 10.087 -3.961 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.346 11.865 -4.575 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.861 12.078 -2.913 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.737 9.906 -1.840 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.979 9.709 -0.620 1.00 0.30 C ATOM 1008 C LEU A2114 -0.749 10.607 -0.618 1.00 0.30 C ATOM 1009 O LEU A2114 -0.295 11.041 -1.675 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.541 8.242 -0.500 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.657 7.205 -0.308 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -3.642 7.660 0.751 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.373 6.903 -1.616 1.00 0.91 C ATOM 0 H LEU A2114 -2.216 9.679 -2.687 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.614 9.965 0.228 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.982 7.979 -1.398 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.851 8.160 0.340 1.00 0.32 H new ATOM 0 HG LEU A2114 -2.189 6.281 0.032 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -4.423 6.909 0.869 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -3.121 7.793 1.699 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -4.091 8.606 0.448 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.156 6.165 -1.440 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.818 7.818 -2.007 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -2.659 6.509 -2.339 1.00 0.91 H new ATOM 1025 N PRO A2115 -0.199 10.907 0.566 1.00 0.29 N ATOM 1026 CA PRO A2115 1.047 11.671 0.694 1.00 0.31 C ATOM 1027 C PRO A2115 2.270 10.816 0.390 1.00 0.28 C ATOM 1028 O PRO A2115 2.279 9.614 0.657 1.00 0.25 O ATOM 1029 CB PRO A2115 1.056 12.053 2.172 1.00 0.33 C ATOM 1030 CG PRO A2115 0.362 10.917 2.830 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.750 10.545 1.890 1.00 0.30 C ATOM 0 HA PRO A2115 1.088 12.514 0.004 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.072 12.175 2.549 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.536 12.995 2.346 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.041 10.079 2.990 1.00 0.29 H new ATOM 0 HG3 PRO A2115 -0.026 11.204 3.807 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.992 9.484 1.950 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.666 11.094 2.110 1.00 0.30 H new ATOM 1039 N PRO A2116 3.332 11.422 -0.158 1.00 0.33 N ATOM 1040 CA PRO A2116 4.604 10.731 -0.377 1.00 0.36 C ATOM 1041 C PRO A2116 5.257 10.346 0.948 1.00 0.34 C ATOM 1042 O PRO A2116 6.220 9.580 0.985 1.00 0.43 O ATOM 1043 CB PRO A2116 5.459 11.762 -1.119 1.00 0.44 C ATOM 1044 CG PRO A2116 4.844 13.079 -0.795 1.00 0.46 C ATOM 1045 CD PRO A2116 3.376 12.822 -0.616 1.00 0.43 C ATOM 0 HA PRO A2116 4.482 9.801 -0.932 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.498 11.721 -0.793 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.455 11.578 -2.193 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.279 13.499 0.112 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.019 13.798 -1.595 1.00 0.46 H new ATOM 0 HD2 PRO A2116 2.935 13.499 0.116 1.00 0.43 H new ATOM 0 HD3 PRO A2116 2.827 12.958 -1.548 1.00 0.43 H new ATOM 1053 N THR A2117 4.715 10.891 2.032 1.00 0.27 N ATOM 1054 CA THR A2117 5.200 10.615 3.369 1.00 0.24 C ATOM 1055 C THR A2117 4.460 9.445 4.014 1.00 0.17 C ATOM 1056 O THR A2117 4.655 9.173 5.192 1.00 0.15 O ATOM 1057 CB THR A2117 5.061 11.862 4.250 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.837 12.540 3.931 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.237 12.798 4.040 1.00 0.36 C ATOM 0 H THR A2117 3.926 11.537 2.002 1.00 0.27 H new ATOM 0 HA THR A2117 6.251 10.340 3.283 1.00 0.24 H new ATOM 0 HB THR A2117 5.047 11.554 5.295 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.086 12.080 4.362 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.120 13.677 4.674 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.162 12.284 4.300 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.274 13.106 2.995 1.00 0.36 H new ATOM 1067 N LEU A2118 3.595 8.778 3.241 1.00 0.16 N ATOM 1068 CA LEU A2118 2.941 7.536 3.671 1.00 0.16 C ATOM 1069 C LEU A2118 3.864 6.649 4.477 1.00 0.16 C ATOM 1070 O LEU A2118 3.623 6.364 5.647 1.00 0.19 O ATOM 1071 CB LEU A2118 2.524 6.721 2.460 1.00 0.23 C ATOM 1072 CG LEU A2118 1.176 7.036 1.857 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.944 6.086 0.703 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.085 6.911 2.907 1.00 0.77 C ATOM 0 H LEU A2118 3.329 9.082 2.304 1.00 0.16 H new ATOM 0 HA LEU A2118 2.089 7.838 4.280 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.281 6.851 1.686 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.533 5.668 2.740 1.00 0.23 H new ATOM 0 HG LEU A2118 1.152 8.062 1.491 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.025 6.294 0.250 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.729 6.220 -0.042 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.961 5.059 1.068 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.881 7.141 2.457 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.070 5.893 3.297 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.282 7.609 3.721 1.00 0.77 H new ATOM 1086 N ILE A2119 4.909 6.207 3.805 1.00 0.15 N ATOM 1087 CA ILE A2119 5.871 5.264 4.357 1.00 0.18 C ATOM 1088 C ILE A2119 6.510 5.792 5.645 1.00 0.20 C ATOM 1089 O ILE A2119 6.984 5.026 6.477 1.00 0.28 O ATOM 1090 CB ILE A2119 6.988 4.968 3.340 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.444 4.889 1.903 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.702 3.682 3.706 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.353 3.865 1.680 1.00 0.20 C ATOM 0 H ILE A2119 5.119 6.494 2.849 1.00 0.15 H new ATOM 0 HA ILE A2119 5.321 4.351 4.584 1.00 0.18 H new ATOM 0 HB ILE A2119 7.698 5.794 3.377 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.061 5.870 1.623 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.272 4.666 1.230 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.490 3.484 2.979 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.141 3.779 4.699 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.990 2.857 3.703 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.039 3.889 0.636 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.731 2.872 1.922 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.502 4.095 2.320 1.00 0.20 H new ATOM 1105 N PHE A2120 6.532 7.105 5.793 1.00 0.17 N ATOM 1106 CA PHE A2120 7.111 7.738 6.959 1.00 0.19 C ATOM 1107 C PHE A2120 6.070 7.930 8.062 1.00 0.20 C ATOM 1108 O PHE A2120 6.394 7.927 9.249 1.00 0.26 O ATOM 1109 CB PHE A2120 7.700 9.075 6.540 1.00 0.19 C ATOM 1110 CG PHE A2120 8.956 8.916 5.742 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.010 8.188 6.259 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.079 9.468 4.479 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.165 8.011 5.535 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.238 9.297 3.746 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.284 8.566 4.275 1.00 0.38 C ATOM 0 H PHE A2120 6.150 7.758 5.109 1.00 0.17 H new ATOM 0 HA PHE A2120 7.894 7.097 7.365 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.965 9.625 5.952 1.00 0.19 H new ATOM 0 HB3 PHE A2120 7.909 9.672 7.428 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.926 7.753 7.244 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.262 10.038 4.062 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.980 7.438 5.951 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.326 9.734 2.762 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.192 8.429 3.706 1.00 0.38 H new ATOM 1125 N ASP A2121 4.822 8.094 7.652 1.00 0.17 N ATOM 1126 CA ASP A2121 3.721 8.346 8.580 1.00 0.22 C ATOM 1127 C ASP A2121 3.145 7.037 9.108 1.00 0.20 C ATOM 1128 O ASP A2121 2.668 6.961 10.238 1.00 0.29 O ATOM 1129 CB ASP A2121 2.626 9.144 7.872 1.00 0.29 C ATOM 1130 CG ASP A2121 1.662 9.807 8.835 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.440 9.579 8.712 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.118 10.567 9.714 1.00 0.88 O ATOM 0 H ASP A2121 4.540 8.057 6.672 1.00 0.17 H new ATOM 0 HA ASP A2121 4.104 8.918 9.425 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.087 9.907 7.245 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.071 8.480 7.209 1.00 0.29 H new ATOM 1137 N HIS A2122 3.188 6.012 8.272 1.00 0.14 N ATOM 1138 CA HIS A2122 2.688 4.684 8.618 1.00 0.14 C ATOM 1139 C HIS A2122 3.633 3.646 8.043 1.00 0.14 C ATOM 1140 O HIS A2122 3.365 3.068 6.988 1.00 0.14 O ATOM 1141 CB HIS A2122 1.290 4.438 8.046 1.00 0.16 C ATOM 1142 CG HIS A2122 0.272 5.461 8.427 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.530 5.352 9.539 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.071 6.623 7.827 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.324 6.404 9.607 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.066 7.192 8.581 1.00 0.40 N ATOM 0 H HIS A2122 3.572 6.074 7.329 1.00 0.14 H new ATOM 0 HA HIS A2122 2.631 4.614 9.704 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.358 4.400 6.959 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.944 3.459 8.378 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.358 7.028 6.923 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.061 6.589 10.374 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.530 8.078 8.381 1.00 0.40 H new ATOM 1155 N PRO A2123 4.753 3.400 8.710 1.00 0.16 N ATOM 1156 CA PRO A2123 5.788 2.558 8.172 1.00 0.17 C ATOM 1157 C PRO A2123 5.646 1.101 8.581 1.00 0.15 C ATOM 1158 O PRO A2123 5.925 0.736 9.719 1.00 0.19 O ATOM 1159 CB PRO A2123 7.042 3.158 8.810 1.00 0.20 C ATOM 1160 CG PRO A2123 6.577 3.952 9.998 1.00 0.25 C ATOM 1161 CD PRO A2123 5.075 3.879 10.028 1.00 0.20 C ATOM 0 HA PRO A2123 5.781 2.538 7.082 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.736 2.374 9.114 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.572 3.794 8.101 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.999 3.549 10.918 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.909 4.987 9.922 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.718 3.201 10.803 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.627 4.853 10.225 1.00 0.20 H new ATOM 1169 N THR A2124 5.165 0.326 7.621 1.00 0.12 N ATOM 1170 CA THR A2124 5.262 -1.127 7.501 1.00 0.10 C ATOM 1171 C THR A2124 4.289 -1.489 6.399 1.00 0.10 C ATOM 1172 O THR A2124 3.378 -0.694 6.145 1.00 0.11 O ATOM 1173 CB THR A2124 4.926 -1.941 8.774 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.787 -1.400 9.444 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.112 -2.005 9.709 1.00 0.11 C ATOM 0 H THR A2124 4.652 0.729 6.837 1.00 0.12 H new ATOM 0 HA THR A2124 6.302 -1.385 7.303 1.00 0.10 H new ATOM 0 HB THR A2124 4.686 -2.957 8.461 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.594 -1.933 10.244 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.847 -2.583 10.594 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.950 -2.483 9.202 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.396 -0.995 10.006 1.00 0.11 H new ATOM 1183 N PRO A2125 4.411 -2.624 5.704 1.00 0.11 N ATOM 1184 CA PRO A2125 3.352 -3.030 4.793 1.00 0.12 C ATOM 1185 C PRO A2125 2.026 -3.119 5.537 1.00 0.13 C ATOM 1186 O PRO A2125 0.984 -2.726 5.017 1.00 0.14 O ATOM 1187 CB PRO A2125 3.794 -4.396 4.278 1.00 0.12 C ATOM 1188 CG PRO A2125 5.266 -4.434 4.509 1.00 0.12 C ATOM 1189 CD PRO A2125 5.543 -3.559 5.704 1.00 0.11 C ATOM 0 HA PRO A2125 3.198 -2.322 3.978 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.289 -5.202 4.811 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.557 -4.516 3.221 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.602 -5.455 4.691 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.804 -4.073 3.633 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.587 -4.139 6.626 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.496 -3.038 5.610 1.00 0.11 H new ATOM 1197 N HIS A2126 2.091 -3.587 6.787 1.00 0.13 N ATOM 1198 CA HIS A2126 0.916 -3.672 7.645 1.00 0.15 C ATOM 1199 C HIS A2126 0.350 -2.284 7.956 1.00 0.14 C ATOM 1200 O HIS A2126 -0.847 -2.074 7.805 1.00 0.16 O ATOM 1201 CB HIS A2126 1.266 -4.439 8.928 1.00 0.18 C ATOM 1202 CG HIS A2126 0.250 -4.332 10.030 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -0.800 -5.215 10.174 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.133 -3.445 11.047 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.516 -4.875 11.228 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -0.971 -3.805 11.774 1.00 0.40 N ATOM 0 H HIS A2126 2.952 -3.913 7.225 1.00 0.13 H new ATOM 0 HA HIS A2126 0.135 -4.219 7.116 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.400 -5.492 8.679 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.224 -4.075 9.301 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.788 -2.610 11.247 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.399 -5.386 11.584 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.316 -3.323 12.604 1.00 0.40 H new ATOM 1215 N ALA A2127 1.200 -1.342 8.374 1.00 0.13 N ATOM 1216 CA ALA A2127 0.737 0.012 8.707 1.00 0.12 C ATOM 1217 C ALA A2127 -0.017 0.633 7.538 1.00 0.11 C ATOM 1218 O ALA A2127 -1.044 1.290 7.721 1.00 0.11 O ATOM 1219 CB ALA A2127 1.899 0.914 9.112 1.00 0.13 C ATOM 0 H ALA A2127 2.203 -1.487 8.490 1.00 0.13 H new ATOM 0 HA ALA A2127 0.059 -0.078 9.556 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.522 1.908 9.352 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.398 0.495 9.986 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.609 0.985 8.288 1.00 0.13 H new ATOM 1225 N LEU A2128 0.488 0.415 6.335 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.158 0.930 5.146 1.00 0.11 C ATOM 1227 C LEU A2128 -1.394 0.133 4.793 1.00 0.13 C ATOM 1228 O LEU A2128 -2.380 0.699 4.337 1.00 0.14 O ATOM 1229 CB LEU A2128 0.804 0.942 3.977 1.00 0.11 C ATOM 1230 CG LEU A2128 1.898 1.989 4.075 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.727 1.965 2.815 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.292 3.368 4.308 1.00 0.12 C ATOM 0 H LEU A2128 1.342 -0.114 6.159 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.467 1.953 5.362 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.266 -0.042 3.893 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.240 1.109 3.060 1.00 0.11 H new ATOM 0 HG LEU A2128 2.544 1.763 4.923 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.514 2.716 2.883 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.176 0.979 2.694 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.091 2.182 1.957 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.089 4.109 4.376 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.632 3.620 3.478 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.721 3.362 5.237 1.00 0.12 H new ATOM 1244 N THR A2129 -1.350 -1.171 5.018 1.00 0.15 N ATOM 1245 CA THR A2129 -2.502 -2.017 4.759 1.00 0.17 C ATOM 1246 C THR A2129 -3.678 -1.541 5.595 1.00 0.17 C ATOM 1247 O THR A2129 -4.834 -1.631 5.191 1.00 0.20 O ATOM 1248 CB THR A2129 -2.200 -3.498 5.069 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.136 -3.969 4.231 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.428 -4.368 4.854 1.00 0.18 C ATOM 0 H THR A2129 -0.533 -1.664 5.378 1.00 0.15 H new ATOM 0 HA THR A2129 -2.747 -1.944 3.699 1.00 0.17 H new ATOM 0 HB THR A2129 -1.905 -3.565 6.116 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.344 -3.407 4.361 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.183 -5.406 5.081 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.231 -4.033 5.511 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.752 -4.290 3.816 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.358 -0.994 6.750 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.357 -0.455 7.640 1.00 0.18 C ATOM 1260 C GLN A2130 -4.814 0.927 7.173 1.00 0.17 C ATOM 1261 O GLN A2130 -6.009 1.225 7.172 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.784 -0.394 9.049 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.210 -1.727 9.494 1.00 0.28 C ATOM 1264 CD GLN A2130 -4.238 -2.629 10.149 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -4.911 -3.415 9.481 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -4.361 -2.533 11.463 1.00 1.13 N ATOM 0 H GLN A2130 -2.401 -0.912 7.094 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.233 -1.104 7.636 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.004 0.367 9.090 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.566 -0.087 9.744 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -2.784 -2.239 8.631 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.394 -1.549 10.194 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -3.786 -1.870 11.982 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -5.031 -3.122 11.957 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.865 1.759 6.742 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.183 3.119 6.318 1.00 0.18 C ATOM 1277 C HIS A2131 -4.937 3.111 4.993 1.00 0.18 C ATOM 1278 O HIS A2131 -5.999 3.718 4.867 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.899 3.945 6.194 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.127 5.350 5.726 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.791 6.296 6.471 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.781 5.963 4.570 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.846 7.426 5.798 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.237 7.255 4.642 1.00 0.31 N ATOM 0 H HIS A2131 -2.877 1.515 6.678 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.825 3.574 7.072 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.400 3.971 7.163 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.223 3.446 5.500 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.246 5.518 3.744 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.312 8.340 6.136 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.123 7.966 3.920 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.379 2.425 4.012 1.00 0.19 N ATOM 1294 CA LEU A2132 -4.964 2.344 2.689 1.00 0.21 C ATOM 1295 C LEU A2132 -6.315 1.640 2.712 1.00 0.21 C ATOM 1296 O LEU A2132 -7.178 1.923 1.882 1.00 0.26 O ATOM 1297 CB LEU A2132 -3.989 1.630 1.778 1.00 0.26 C ATOM 1298 CG LEU A2132 -2.601 2.256 1.788 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -1.604 1.334 1.145 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.620 3.610 1.104 1.00 0.64 C ATOM 0 H LEU A2132 -3.506 1.908 4.112 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.149 3.351 2.315 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.913 0.586 2.082 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.378 1.638 0.760 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.296 2.411 2.823 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -0.617 1.797 1.161 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -1.572 0.393 1.694 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -1.898 1.142 0.113 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.619 4.041 1.122 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.946 3.491 0.071 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -3.309 4.272 1.628 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.510 0.743 3.677 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.795 0.084 3.832 1.00 0.21 C ATOM 1314 C HIS A2133 -8.823 1.109 4.259 1.00 0.21 C ATOM 1315 O HIS A2133 -9.943 1.128 3.756 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.734 -1.049 4.861 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.028 -1.794 4.985 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.662 -2.006 6.185 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -9.820 -2.355 4.040 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.788 -2.661 5.975 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -10.910 -2.887 4.679 1.00 0.31 N ATOM 0 H HIS A2133 -5.800 0.462 4.354 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.072 -0.358 2.875 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -6.945 -1.746 4.580 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.464 -0.636 5.833 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.628 -2.379 2.977 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.493 -2.962 6.736 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.685 -3.375 4.230 1.00 0.31 H new ATOM 1330 N THR A2134 -8.424 1.965 5.183 1.00 0.18 N ATOM 1331 CA THR A2134 -9.276 3.042 5.623 1.00 0.22 C ATOM 1332 C THR A2134 -9.577 3.978 4.455 1.00 0.26 C ATOM 1333 O THR A2134 -10.724 4.320 4.200 1.00 0.34 O ATOM 1334 CB THR A2134 -8.621 3.829 6.771 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.228 2.930 7.819 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.569 4.876 7.333 1.00 0.36 C ATOM 0 H THR A2134 -7.513 1.930 5.640 1.00 0.18 H new ATOM 0 HA THR A2134 -10.208 2.612 5.991 1.00 0.22 H new ATOM 0 HB THR A2134 -7.743 4.337 6.371 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.431 2.432 7.541 1.00 0.27 H new ATOM 0 HG21 THR A2134 -9.077 5.415 8.143 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.845 5.577 6.545 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.466 4.388 7.715 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.534 4.341 3.723 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.649 5.264 2.598 1.00 0.32 C ATOM 1346 C ARG A2135 -9.637 4.769 1.534 1.00 0.40 C ATOM 1347 O ARG A2135 -10.502 5.522 1.085 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.272 5.477 1.979 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.298 6.151 2.921 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.794 7.530 3.313 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.957 8.412 2.156 1.00 0.85 N ATOM 1352 CZ ARG A2135 -8.108 8.992 1.807 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -9.203 8.810 2.536 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -8.156 9.778 0.739 1.00 1.64 N ATOM 0 H ARG A2135 -7.585 4.006 3.890 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.040 6.208 2.979 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -6.865 4.514 1.672 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.374 6.081 1.078 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.166 5.540 3.814 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.321 6.233 2.444 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.748 7.436 3.833 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.092 7.980 4.014 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.137 8.596 1.578 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -9.169 8.223 3.370 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -10.078 9.257 2.262 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -7.314 9.939 0.186 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -9.035 10.222 0.471 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.498 3.511 1.132 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.365 2.907 0.138 1.00 0.51 C ATOM 1370 C LEU A2136 -11.811 2.778 0.615 1.00 0.58 C ATOM 1371 O LEU A2136 -12.724 2.694 -0.201 1.00 0.85 O ATOM 1372 CB LEU A2136 -9.817 1.525 -0.224 1.00 0.54 C ATOM 1373 CG LEU A2136 -8.510 1.540 -1.018 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -7.941 0.147 -1.186 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -8.738 2.164 -2.369 1.00 0.75 C ATOM 0 H LEU A2136 -8.778 2.883 1.489 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.376 3.561 -0.734 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -9.661 0.960 0.695 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -10.571 0.991 -0.803 1.00 0.54 H new ATOM 0 HG LEU A2136 -7.787 2.131 -0.457 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.013 0.199 -1.755 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -7.742 -0.285 -0.205 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -8.658 -0.477 -1.719 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -7.803 2.171 -2.929 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -9.484 1.586 -2.915 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.093 3.187 -2.242 1.00 0.75 H new ATOM 1387 N THR A2137 -12.021 2.765 1.922 1.00 0.43 N ATOM 1388 CA THR A2137 -13.344 2.481 2.465 1.00 0.47 C ATOM 1389 C THR A2137 -14.059 3.734 2.953 1.00 0.54 C ATOM 1390 O THR A2137 -15.291 3.817 2.899 1.00 0.68 O ATOM 1391 CB THR A2137 -13.255 1.451 3.606 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.361 1.922 4.622 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.755 0.117 3.076 1.00 0.42 C ATOM 0 H THR A2137 -11.302 2.946 2.622 1.00 0.43 H new ATOM 0 HA THR A2137 -13.933 2.067 1.647 1.00 0.47 H new ATOM 0 HB THR A2137 -14.250 1.317 4.029 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.463 1.567 4.457 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.697 -0.601 3.894 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.443 -0.253 2.316 1.00 0.42 H new ATOM 0 HG23 THR A2137 -11.766 0.247 2.637 1.00 0.42 H new ATOM 1401 N GLN A2138 -13.294 4.707 3.425 1.00 0.58 N ATOM 1402 CA GLN A2138 -13.859 5.930 3.946 1.00 0.69 C ATOM 1403 C GLN A2138 -14.458 6.774 2.833 1.00 0.88 C ATOM 1404 O GLN A2138 -13.747 7.333 1.993 1.00 1.05 O ATOM 1405 CB GLN A2138 -12.807 6.708 4.712 1.00 1.02 C ATOM 1406 CG GLN A2138 -12.414 6.044 6.015 1.00 0.66 C ATOM 1407 CD GLN A2138 -13.594 5.780 6.929 1.00 1.28 C ATOM 1408 OE1 GLN A2138 -13.953 6.612 7.762 1.00 1.87 O ATOM 1409 NE2 GLN A2138 -14.200 4.614 6.781 1.00 1.96 N ATOM 0 H GLN A2138 -12.275 4.667 3.455 1.00 0.58 H new ATOM 0 HA GLN A2138 -14.665 5.671 4.632 1.00 0.69 H new ATOM 0 HB2 GLN A2138 -11.921 6.823 4.087 1.00 1.02 H new ATOM 0 HB3 GLN A2138 -13.183 7.710 4.920 1.00 1.02 H new ATOM 0 HG2 GLN A2138 -11.912 5.101 5.798 1.00 0.66 H new ATOM 0 HG3 GLN A2138 -11.694 6.676 6.535 1.00 0.66 H new ATOM 0 HE21 GLN A2138 -13.870 3.953 6.078 1.00 1.96 H new ATOM 0 HE22 GLN A2138 -14.998 4.375 7.370 1.00 1.96 H new ATOM 1418 N SER A2139 -15.774 6.841 2.830 1.00 1.14 N ATOM 1419 CA SER A2139 -16.510 7.587 1.832 1.00 1.51 C ATOM 1420 C SER A2139 -17.580 8.437 2.504 1.00 1.92 C ATOM 1421 O SER A2139 -18.474 7.913 3.172 1.00 2.53 O ATOM 1422 CB SER A2139 -17.124 6.619 0.819 1.00 2.30 C ATOM 1423 OG SER A2139 -17.586 5.441 1.460 1.00 3.10 O ATOM 0 H SER A2139 -16.364 6.378 3.522 1.00 1.14 H new ATOM 0 HA SER A2139 -15.834 8.257 1.300 1.00 1.51 H new ATOM 0 HB2 SER A2139 -17.951 7.104 0.301 1.00 2.30 H new ATOM 0 HB3 SER A2139 -16.383 6.360 0.063 1.00 2.30 H new ATOM 0 HG SER A2139 -17.976 4.837 0.794 1.00 3.10 H new ATOM 1429 N HIS A2140 -17.462 9.744 2.357 1.00 2.46 N ATOM 1430 CA HIS A2140 -18.392 10.668 2.982 1.00 3.43 C ATOM 1431 C HIS A2140 -19.619 10.848 2.100 1.00 3.95 C ATOM 1432 O HIS A2140 -19.468 11.381 0.982 1.00 4.42 O ATOM 1433 CB HIS A2140 -17.713 12.016 3.237 1.00 4.34 C ATOM 1434 CG HIS A2140 -18.572 12.996 3.971 1.00 5.24 C ATOM 1435 ND1 HIS A2140 -19.303 13.979 3.343 1.00 6.03 N ATOM 1436 CD2 HIS A2140 -18.810 13.138 5.291 1.00 5.82 C ATOM 1437 CE1 HIS A2140 -19.953 14.683 4.249 1.00 6.90 C ATOM 1438 NE2 HIS A2140 -19.673 14.194 5.441 1.00 6.81 N ATOM 1439 OXT HIS A2140 -20.725 10.458 2.527 1.00 4.31 O ATOM 0 H HIS A2140 -16.728 10.192 1.808 1.00 2.46 H new ATOM 0 HA HIS A2140 -18.708 10.256 3.940 1.00 3.43 H new ATOM 0 HB2 HIS A2140 -16.799 11.850 3.807 1.00 4.34 H new ATOM 0 HB3 HIS A2140 -17.418 12.450 2.282 1.00 4.34 H new ATOM 0 HD2 HIS A2140 -18.397 12.532 6.084 1.00 5.82 H new ATOM 0 HE1 HIS A2140 -20.605 15.520 4.048 1.00 6.90 H new ATOM 0 HE2 HIS A2140 -20.037 14.543 6.327 1.00 6.81 H new TER 1448 HIS A2140