USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 hydrogens (35 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: A2059 GLN :FLIP amide:sc= -0.555 F(o=-4!,f=-2.5) USER MOD Set 1.2: A2133 HIS : no HE2:sc= -1.95! C(o=-2.5!,f=-4!) USER MOD Set 2.1: A2060 GLN : amide:sc= -0.074 K(o=-0.089,f=-1.2!) USER MOD Set 2.2: A2126 HIS : no HD1:sc= -0.0147 X(o=-0.089,f=-0.057) USER MOD Set 3.1: A2077 HIS : no HE2:sc= 0.501 K(o=1.5,f=-8.2!) USER MOD Set 3.2: A2079 THR OG1 : rot 180:sc= 1.03 USER MOD Set 4.1: A2055 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A2058 GLN : amide:sc= -0.631 K(o=-0.63,f=-5.4!) USER MOD Set 5.1: A2048 HIS : no HD1:sc= -0.925 K(o=-0.13,f=-2.4) USER MOD Set 5.2: A2062 THR OG1 : rot -97:sc= 0.796 USER MOD Single : A2047 SER OG : rot -116:sc= 1.28 USER MOD Single : A2049 MET CE :methyl 161:sc= -2.36 (180deg=-3.37!) USER MOD Single : A2052 ASN : amide:sc= 1.33 K(o=1.3,f=-3.4!) USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A2061 GLN : amide:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A2065 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A2071 THR OG1 : rot 157:sc= -0.381 USER MOD Single : A2073 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A2078 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.06) USER MOD Single : A2082 SER OG : rot -34:sc= 0.649 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.611 USER MOD Single : A2090 LYS NZ :NH3+ 160:sc= -0.0426 (180deg=-0.359) USER MOD Single : A2098 THR OG1 : rot -160:sc= 0.572 USER MOD Single : A2104 ASN : amide:sc= -1.97! C(o=-2!,f=-1.5!) USER MOD Single : A2105 THR OG1 : rot 72:sc= 0.278 USER MOD Single : A2107 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -0.216 K(o=-0.22,f=-1) USER MOD Single : A2110 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.373 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.67 USER MOD Single : A2129 THR OG1 : rot 75:sc= 1.25 USER MOD Single : A2130 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.5!) USER MOD Single : A2131 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.00057) USER MOD Single : A2134 THR OG1 : rot 180:sc= 0 USER MOD Single : A2137 THR OG1 : rot -81:sc= 0.165 USER MOD Single : A2138 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.86) 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 8.170 -2.300 -12.634 1.00 6.58 N ATOM 2 CA GLY A2046 9.296 -2.556 -11.707 1.00 6.00 C ATOM 3 C GLY A2046 9.010 -2.032 -10.320 1.00 4.95 C ATOM 4 O GLY A2046 7.971 -1.410 -10.088 1.00 5.03 O ATOM 0 HA2 GLY A2046 9.490 -3.627 -11.658 1.00 6.00 H new ATOM 0 HA3 GLY A2046 10.200 -2.086 -12.094 1.00 6.00 H new ATOM 10 N SER A2047 9.922 -2.278 -9.398 1.00 4.27 N ATOM 11 CA SER A2047 9.766 -1.810 -8.034 1.00 3.35 C ATOM 12 C SER A2047 10.507 -0.492 -7.846 1.00 3.13 C ATOM 13 O SER A2047 11.669 -0.365 -8.227 1.00 3.47 O ATOM 14 CB SER A2047 10.318 -2.851 -7.054 1.00 3.02 C ATOM 15 OG SER A2047 10.091 -4.166 -7.533 1.00 3.54 O ATOM 0 H SER A2047 10.781 -2.801 -9.570 1.00 4.27 H new ATOM 0 HA SER A2047 8.705 -1.658 -7.837 1.00 3.35 H new ATOM 0 HB2 SER A2047 11.387 -2.691 -6.911 1.00 3.02 H new ATOM 0 HB3 SER A2047 9.844 -2.727 -6.080 1.00 3.02 H new ATOM 0 HG SER A2047 9.494 -4.640 -6.917 1.00 3.54 H new ATOM 21 N HIS A2048 9.833 0.483 -7.250 1.00 3.12 N ATOM 22 CA HIS A2048 10.476 1.736 -6.840 1.00 3.29 C ATOM 23 C HIS A2048 11.358 1.505 -5.606 1.00 2.68 C ATOM 24 O HIS A2048 11.604 2.407 -4.807 1.00 3.15 O ATOM 25 CB HIS A2048 9.442 2.855 -6.597 1.00 4.29 C ATOM 26 CG HIS A2048 8.469 2.609 -5.481 1.00 5.00 C ATOM 27 ND1 HIS A2048 7.930 3.624 -4.722 1.00 5.92 N ATOM 28 CD2 HIS A2048 7.901 1.470 -5.031 1.00 5.21 C ATOM 29 CE1 HIS A2048 7.077 3.118 -3.856 1.00 6.67 C ATOM 30 NE2 HIS A2048 7.037 1.809 -4.020 1.00 6.28 N ATOM 0 H HIS A2048 8.837 0.435 -7.037 1.00 3.12 H new ATOM 0 HA HIS A2048 11.115 2.071 -7.657 1.00 3.29 H new ATOM 0 HB2 HIS A2048 9.978 3.781 -6.390 1.00 4.29 H new ATOM 0 HB3 HIS A2048 8.879 3.011 -7.517 1.00 4.29 H new ATOM 0 HD2 HIS A2048 8.092 0.473 -5.400 1.00 5.21 H new ATOM 0 HE1 HIS A2048 6.505 3.680 -3.132 1.00 6.67 H new ATOM 0 HE2 HIS A2048 6.461 1.159 -3.485 1.00 6.28 H new ATOM 39 N MET A2049 11.800 0.264 -5.455 1.00 2.16 N ATOM 40 CA MET A2049 12.627 -0.162 -4.338 1.00 2.54 C ATOM 41 C MET A2049 14.089 0.183 -4.548 1.00 3.09 C ATOM 42 O MET A2049 14.959 -0.360 -3.870 1.00 3.75 O ATOM 43 CB MET A2049 12.496 -1.667 -4.149 1.00 2.76 C ATOM 44 CG MET A2049 11.247 -2.059 -3.392 1.00 2.18 C ATOM 45 SD MET A2049 10.718 -3.751 -3.679 1.00 2.91 S ATOM 46 CE MET A2049 9.107 -3.678 -2.905 1.00 2.37 C ATOM 0 H MET A2049 11.590 -0.485 -6.115 1.00 2.16 H new ATOM 0 HA MET A2049 12.277 0.368 -3.452 1.00 2.54 H new ATOM 0 HB2 MET A2049 12.490 -2.151 -5.125 1.00 2.76 H new ATOM 0 HB3 MET A2049 13.370 -2.038 -3.614 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.423 -1.920 -2.325 1.00 2.18 H new ATOM 0 HG3 MET A2049 10.438 -1.384 -3.672 1.00 2.18 H new ATOM 0 HE1 MET A2049 8.493 -4.504 -3.263 1.00 2.37 H new ATOM 0 HE2 MET A2049 9.219 -3.752 -1.823 1.00 2.37 H new ATOM 0 HE3 MET A2049 8.625 -2.733 -3.156 1.00 2.37 H new ATOM 56 N ARG A2050 14.368 1.070 -5.482 1.00 3.38 N ATOM 57 CA ARG A2050 15.735 1.487 -5.707 1.00 4.33 C ATOM 58 C ARG A2050 16.088 2.616 -4.753 1.00 4.19 C ATOM 59 O ARG A2050 17.254 2.974 -4.590 1.00 4.88 O ATOM 60 CB ARG A2050 15.955 1.919 -7.157 1.00 5.36 C ATOM 61 CG ARG A2050 15.838 0.786 -8.159 1.00 6.15 C ATOM 62 CD ARG A2050 16.896 -0.271 -7.909 1.00 6.73 C ATOM 63 NE ARG A2050 16.927 -1.285 -8.958 1.00 7.76 N ATOM 64 CZ ARG A2050 17.727 -2.350 -8.932 1.00 8.52 C ATOM 65 NH1 ARG A2050 18.515 -2.567 -7.889 1.00 8.48 N ATOM 66 NH2 ARG A2050 17.736 -3.200 -9.948 1.00 9.54 N ATOM 0 H ARG A2050 13.677 1.510 -6.089 1.00 3.38 H new ATOM 0 HA ARG A2050 16.390 0.637 -5.517 1.00 4.33 H new ATOM 0 HB2 ARG A2050 15.229 2.692 -7.410 1.00 5.36 H new ATOM 0 HB3 ARG A2050 16.944 2.369 -7.246 1.00 5.36 H new ATOM 0 HG2 ARG A2050 14.847 0.337 -8.092 1.00 6.15 H new ATOM 0 HG3 ARG A2050 15.942 1.178 -9.171 1.00 6.15 H new ATOM 0 HD2 ARG A2050 17.873 0.206 -7.840 1.00 6.73 H new ATOM 0 HD3 ARG A2050 16.707 -0.751 -6.949 1.00 6.73 H new ATOM 0 HE ARG A2050 16.301 -1.172 -9.756 1.00 7.76 H new ATOM 0 HH11 ARG A2050 18.510 -1.918 -7.102 1.00 8.48 H new ATOM 0 HH12 ARG A2050 19.126 -3.383 -7.873 1.00 8.48 H new ATOM 0 HH21 ARG A2050 17.130 -3.040 -10.752 1.00 9.54 H new ATOM 0 HH22 ARG A2050 18.349 -4.015 -9.926 1.00 9.54 H new ATOM 80 N LEU A2051 15.062 3.158 -4.108 1.00 3.64 N ATOM 81 CA LEU A2051 15.240 4.184 -3.090 1.00 3.84 C ATOM 82 C LEU A2051 15.534 3.540 -1.738 1.00 3.17 C ATOM 83 O LEU A2051 15.425 4.177 -0.689 1.00 3.42 O ATOM 84 CB LEU A2051 13.993 5.068 -2.999 1.00 4.74 C ATOM 85 CG LEU A2051 13.648 5.846 -4.272 1.00 5.66 C ATOM 86 CD1 LEU A2051 12.365 6.638 -4.083 1.00 6.21 C ATOM 87 CD2 LEU A2051 14.791 6.772 -4.664 1.00 6.31 C ATOM 0 H LEU A2051 14.089 2.900 -4.275 1.00 3.64 H new ATOM 0 HA LEU A2051 16.087 4.810 -3.371 1.00 3.84 H new ATOM 0 HB2 LEU A2051 13.142 4.441 -2.734 1.00 4.74 H new ATOM 0 HB3 LEU A2051 14.131 5.779 -2.184 1.00 4.74 H new ATOM 0 HG LEU A2051 13.496 5.128 -5.078 1.00 5.66 H new ATOM 0 HD11 LEU A2051 12.136 7.184 -4.998 1.00 6.21 H new ATOM 0 HD12 LEU A2051 11.547 5.956 -3.854 1.00 6.21 H new ATOM 0 HD13 LEU A2051 12.490 7.343 -3.261 1.00 6.21 H new ATOM 0 HD21 LEU A2051 14.525 7.315 -5.571 1.00 6.31 H new ATOM 0 HD22 LEU A2051 14.977 7.481 -3.858 1.00 6.31 H new ATOM 0 HD23 LEU A2051 15.691 6.183 -4.844 1.00 6.31 H new ATOM 99 N ASN A2052 15.902 2.265 -1.775 1.00 2.84 N ATOM 100 CA ASN A2052 16.281 1.542 -0.574 1.00 3.03 C ATOM 101 C ASN A2052 17.574 2.114 -0.011 1.00 2.88 C ATOM 102 O ASN A2052 18.529 2.368 -0.747 1.00 2.92 O ATOM 103 CB ASN A2052 16.443 0.038 -0.858 1.00 3.65 C ATOM 104 CG ASN A2052 17.563 -0.287 -1.840 1.00 4.17 C ATOM 105 OD1 ASN A2052 17.829 0.460 -2.785 1.00 4.47 O ATOM 106 ND2 ASN A2052 18.229 -1.409 -1.620 1.00 4.71 N ATOM 0 H ASN A2052 15.945 1.711 -2.630 1.00 2.84 H new ATOM 0 HA ASN A2052 15.485 1.661 0.162 1.00 3.03 H new ATOM 0 HB2 ASN A2052 16.634 -0.481 0.081 1.00 3.65 H new ATOM 0 HB3 ASN A2052 15.504 -0.351 -1.251 1.00 3.65 H new ATOM 0 HD21 ASN A2052 18.990 -1.681 -2.242 1.00 4.71 H new ATOM 0 HD22 ASN A2052 17.981 -2.002 -0.828 1.00 4.71 H new ATOM 113 N GLY A2053 17.601 2.331 1.290 1.00 3.23 N ATOM 114 CA GLY A2053 18.767 2.922 1.907 1.00 3.43 C ATOM 115 C GLY A2053 18.494 4.321 2.409 1.00 2.89 C ATOM 116 O GLY A2053 19.354 4.947 3.029 1.00 2.97 O ATOM 0 H GLY A2053 16.839 2.110 1.931 1.00 3.23 H new ATOM 0 HA2 GLY A2053 19.094 2.296 2.737 1.00 3.43 H new ATOM 0 HA3 GLY A2053 19.584 2.948 1.186 1.00 3.43 H new ATOM 120 N LEU A2054 17.302 4.820 2.119 1.00 2.44 N ATOM 121 CA LEU A2054 16.837 6.071 2.691 1.00 2.06 C ATOM 122 C LEU A2054 16.475 5.870 4.157 1.00 1.93 C ATOM 123 O LEU A2054 16.449 4.740 4.653 1.00 2.10 O ATOM 124 CB LEU A2054 15.608 6.574 1.933 1.00 1.96 C ATOM 125 CG LEU A2054 15.873 7.265 0.601 1.00 2.68 C ATOM 126 CD1 LEU A2054 14.560 7.495 -0.128 1.00 3.19 C ATOM 127 CD2 LEU A2054 16.594 8.583 0.820 1.00 3.31 C ATOM 0 H LEU A2054 16.637 4.374 1.487 1.00 2.44 H new ATOM 0 HA LEU A2054 17.636 6.808 2.610 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.946 5.727 1.753 1.00 1.96 H new ATOM 0 HB3 LEU A2054 15.069 7.268 2.577 1.00 1.96 H new ATOM 0 HG LEU A2054 16.510 6.624 -0.008 1.00 2.68 H new ATOM 0 HD11 LEU A2054 14.754 7.989 -1.080 1.00 3.19 H new ATOM 0 HD12 LEU A2054 14.072 6.537 -0.309 1.00 3.19 H new ATOM 0 HD13 LEU A2054 13.911 8.124 0.481 1.00 3.19 H new ATOM 0 HD21 LEU A2054 16.775 9.063 -0.142 1.00 3.31 H new ATOM 0 HD22 LEU A2054 15.980 9.235 1.441 1.00 3.31 H new ATOM 0 HD23 LEU A2054 17.546 8.399 1.318 1.00 3.31 H new ATOM 139 N SER A2055 16.197 6.961 4.848 1.00 1.75 N ATOM 140 CA SER A2055 15.726 6.885 6.216 1.00 1.71 C ATOM 141 C SER A2055 14.261 6.445 6.221 1.00 1.44 C ATOM 142 O SER A2055 13.587 6.548 5.192 1.00 1.25 O ATOM 143 CB SER A2055 15.907 8.246 6.888 1.00 1.78 C ATOM 144 OG SER A2055 17.255 8.681 6.785 1.00 2.08 O ATOM 0 H SER A2055 16.290 7.909 4.483 1.00 1.75 H new ATOM 0 HA SER A2055 16.303 6.150 6.778 1.00 1.71 H new ATOM 0 HB2 SER A2055 15.247 8.978 6.422 1.00 1.78 H new ATOM 0 HB3 SER A2055 15.620 8.180 7.937 1.00 1.78 H new ATOM 0 HG SER A2055 17.351 9.554 7.219 1.00 2.08 H new ATOM 150 N PRO A2056 13.753 5.931 7.360 1.00 1.48 N ATOM 151 CA PRO A2056 12.389 5.397 7.457 1.00 1.29 C ATOM 152 C PRO A2056 11.339 6.286 6.791 1.00 1.09 C ATOM 153 O PRO A2056 10.626 5.838 5.893 1.00 0.87 O ATOM 154 CB PRO A2056 12.155 5.315 8.962 1.00 1.53 C ATOM 155 CG PRO A2056 13.508 5.076 9.534 1.00 1.78 C ATOM 156 CD PRO A2056 14.474 5.817 8.646 1.00 1.78 C ATOM 0 HA PRO A2056 12.294 4.443 6.938 1.00 1.29 H new ATOM 0 HB2 PRO A2056 11.718 6.236 9.347 1.00 1.53 H new ATOM 0 HB3 PRO A2056 11.468 4.507 9.214 1.00 1.53 H new ATOM 0 HG2 PRO A2056 13.566 5.438 10.561 1.00 1.78 H new ATOM 0 HG3 PRO A2056 13.739 4.011 9.557 1.00 1.78 H new ATOM 0 HD2 PRO A2056 14.722 6.797 9.054 1.00 1.78 H new ATOM 0 HD3 PRO A2056 15.411 5.273 8.532 1.00 1.78 H new ATOM 164 N GLN A2057 11.271 7.545 7.205 1.00 1.22 N ATOM 165 CA GLN A2057 10.283 8.478 6.668 1.00 1.17 C ATOM 166 C GLN A2057 10.560 8.802 5.205 1.00 1.01 C ATOM 167 O GLN A2057 9.635 8.937 4.402 1.00 0.95 O ATOM 168 CB GLN A2057 10.265 9.763 7.482 1.00 1.44 C ATOM 169 CG GLN A2057 9.812 9.565 8.916 1.00 1.66 C ATOM 170 CD GLN A2057 9.873 10.848 9.717 1.00 2.02 C ATOM 171 OE1 GLN A2057 9.753 11.944 9.169 1.00 2.32 O ATOM 172 NE2 GLN A2057 10.043 10.723 11.021 1.00 2.40 N ATOM 0 H GLN A2057 11.888 7.946 7.912 1.00 1.22 H new ATOM 0 HA GLN A2057 9.308 7.995 6.734 1.00 1.17 H new ATOM 0 HB2 GLN A2057 11.265 10.198 7.482 1.00 1.44 H new ATOM 0 HB3 GLN A2057 9.605 10.482 6.997 1.00 1.44 H new ATOM 0 HG2 GLN A2057 8.791 9.182 8.923 1.00 1.66 H new ATOM 0 HG3 GLN A2057 10.439 8.811 9.392 1.00 1.66 H new ATOM 0 HE21 GLN A2057 10.138 9.796 11.436 1.00 2.40 H new ATOM 0 HE22 GLN A2057 10.079 11.553 11.613 1.00 2.40 H new ATOM 181 N GLN A2058 11.839 8.908 4.863 1.00 1.07 N ATOM 182 CA GLN A2058 12.254 9.209 3.496 1.00 1.08 C ATOM 183 C GLN A2058 11.789 8.119 2.537 1.00 0.89 C ATOM 184 O GLN A2058 11.495 8.384 1.371 1.00 0.84 O ATOM 185 CB GLN A2058 13.772 9.368 3.432 1.00 1.36 C ATOM 186 CG GLN A2058 14.273 10.628 4.115 1.00 1.58 C ATOM 187 CD GLN A2058 15.767 10.611 4.356 1.00 1.86 C ATOM 188 OE1 GLN A2058 16.517 9.973 3.622 1.00 2.40 O ATOM 189 NE2 GLN A2058 16.209 11.318 5.382 1.00 2.23 N ATOM 0 H GLN A2058 12.612 8.789 5.518 1.00 1.07 H new ATOM 0 HA GLN A2058 11.790 10.147 3.191 1.00 1.08 H new ATOM 0 HB2 GLN A2058 14.241 8.500 3.896 1.00 1.36 H new ATOM 0 HB3 GLN A2058 14.085 9.380 2.388 1.00 1.36 H new ATOM 0 HG2 GLN A2058 14.018 11.493 3.503 1.00 1.58 H new ATOM 0 HG3 GLN A2058 13.757 10.749 5.068 1.00 1.58 H new ATOM 0 HE21 GLN A2058 15.552 11.834 5.967 1.00 2.23 H new ATOM 0 HE22 GLN A2058 17.207 11.348 5.589 1.00 2.23 H new ATOM 198 N GLN A2059 11.736 6.890 3.028 1.00 0.87 N ATOM 199 CA GLN A2059 11.179 5.795 2.254 1.00 0.75 C ATOM 200 C GLN A2059 9.654 5.800 2.331 1.00 0.58 C ATOM 201 O GLN A2059 8.985 5.650 1.317 1.00 0.54 O ATOM 202 CB GLN A2059 11.728 4.449 2.728 1.00 0.80 C ATOM 203 CG GLN A2059 13.196 4.249 2.397 1.00 1.17 C ATOM 204 CD GLN A2059 13.704 2.862 2.732 1.00 1.86 C ATOM 205 OE1 GLN A2059 12.823 1.880 2.687 1.00 2.83 O flip ATOM 206 NE2 GLN A2059 14.882 2.675 3.030 1.00 1.87 N flip ATOM 0 H GLN A2059 12.071 6.628 3.955 1.00 0.87 H new ATOM 0 HA GLN A2059 11.477 5.938 1.215 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.592 4.368 3.806 1.00 0.80 H new ATOM 0 HB3 GLN A2059 11.147 3.647 2.272 1.00 0.80 H new ATOM 0 HG2 GLN A2059 13.350 4.438 1.335 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.787 4.986 2.941 1.00 1.17 H new ATOM 0 HE21 GLN A2059 15.533 3.460 3.054 1.00 1.87 H new ATOM 0 HE22 GLN A2059 15.208 1.735 3.253 1.00 1.87 H new ATOM 215 N GLN A2060 9.113 5.986 3.535 1.00 0.54 N ATOM 216 CA GLN A2060 7.666 5.976 3.746 1.00 0.45 C ATOM 217 C GLN A2060 6.918 6.888 2.779 1.00 0.44 C ATOM 218 O GLN A2060 5.862 6.517 2.282 1.00 0.42 O ATOM 219 CB GLN A2060 7.318 6.375 5.178 1.00 0.55 C ATOM 220 CG GLN A2060 7.686 5.329 6.211 1.00 0.57 C ATOM 221 CD GLN A2060 6.979 5.553 7.533 1.00 0.81 C ATOM 222 OE1 GLN A2060 5.875 6.092 7.576 1.00 1.38 O ATOM 223 NE2 GLN A2060 7.605 5.140 8.620 1.00 1.01 N ATOM 0 H GLN A2060 9.658 6.146 4.382 1.00 0.54 H new ATOM 0 HA GLN A2060 7.345 4.952 3.557 1.00 0.45 H new ATOM 0 HB2 GLN A2060 7.829 7.307 5.420 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.248 6.573 5.240 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.433 4.340 5.829 1.00 0.57 H new ATOM 0 HG3 GLN A2060 8.764 5.343 6.371 1.00 0.57 H new ATOM 0 HE21 GLN A2060 8.521 4.697 8.544 1.00 1.01 H new ATOM 0 HE22 GLN A2060 7.173 5.264 9.536 1.00 1.01 H new ATOM 232 N GLN A2061 7.457 8.067 2.505 1.00 0.58 N ATOM 233 CA GLN A2061 6.761 9.031 1.658 1.00 0.61 C ATOM 234 C GLN A2061 6.454 8.465 0.266 1.00 0.51 C ATOM 235 O GLN A2061 5.333 8.599 -0.223 1.00 0.45 O ATOM 236 CB GLN A2061 7.549 10.336 1.553 1.00 0.83 C ATOM 237 CG GLN A2061 8.996 10.155 1.159 1.00 0.89 C ATOM 238 CD GLN A2061 9.702 11.474 0.946 1.00 1.29 C ATOM 239 OE1 GLN A2061 10.273 12.047 1.873 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.660 11.970 -0.278 1.00 1.97 N ATOM 0 H GLN A2061 8.364 8.379 2.851 1.00 0.58 H new ATOM 0 HA GLN A2061 5.805 9.243 2.136 1.00 0.61 H new ATOM 0 HB2 GLN A2061 7.063 10.983 0.822 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.507 10.851 2.513 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.513 9.590 1.934 1.00 0.89 H new ATOM 0 HG3 GLN A2061 9.050 9.565 0.244 1.00 0.89 H new ATOM 0 HE21 GLN A2061 9.175 11.462 -1.018 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.112 12.861 -0.483 1.00 1.97 H new ATOM 249 N THR A2062 7.424 7.804 -0.362 1.00 0.53 N ATOM 250 CA THR A2062 7.200 7.227 -1.687 1.00 0.50 C ATOM 251 C THR A2062 6.276 6.013 -1.604 1.00 0.39 C ATOM 252 O THR A2062 5.680 5.595 -2.597 1.00 0.42 O ATOM 253 CB THR A2062 8.519 6.877 -2.408 1.00 0.59 C ATOM 254 OG1 THR A2062 8.261 6.357 -3.720 1.00 0.74 O ATOM 255 CG2 THR A2062 9.305 5.875 -1.616 1.00 0.83 C ATOM 0 H THR A2062 8.359 7.655 0.017 1.00 0.53 H new ATOM 0 HA THR A2062 6.708 7.992 -2.289 1.00 0.50 H new ATOM 0 HB THR A2062 9.101 7.794 -2.500 1.00 0.59 H new ATOM 0 HG1 THR A2062 8.276 5.378 -3.692 1.00 0.74 H new ATOM 0 HG21 THR A2062 10.231 5.642 -2.141 1.00 0.83 H new ATOM 0 HG22 THR A2062 9.539 6.289 -0.635 1.00 0.83 H new ATOM 0 HG23 THR A2062 8.717 4.965 -1.495 1.00 0.83 H new ATOM 263 N LEU A2063 6.118 5.481 -0.405 1.00 0.37 N ATOM 264 CA LEU A2063 5.262 4.328 -0.188 1.00 0.29 C ATOM 265 C LEU A2063 3.841 4.783 0.092 1.00 0.22 C ATOM 266 O LEU A2063 2.878 4.172 -0.373 1.00 0.21 O ATOM 267 CB LEU A2063 5.810 3.497 0.967 1.00 0.30 C ATOM 268 CG LEU A2063 7.317 3.284 0.900 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.780 2.317 1.966 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.717 2.818 -0.489 1.00 0.79 C ATOM 0 H LEU A2063 6.574 5.831 0.438 1.00 0.37 H new ATOM 0 HA LEU A2063 5.248 3.708 -1.084 1.00 0.29 H new ATOM 0 HB2 LEU A2063 5.562 3.988 1.908 1.00 0.30 H new ATOM 0 HB3 LEU A2063 5.314 2.527 0.974 1.00 0.30 H new ATOM 0 HG LEU A2063 7.812 4.235 1.095 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.860 2.185 1.893 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.528 2.712 2.950 1.00 0.92 H new ATOM 0 HD13 LEU A2063 7.286 1.356 1.824 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.796 2.669 -0.526 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.213 1.879 -0.717 1.00 0.79 H new ATOM 0 HD23 LEU A2063 7.430 3.571 -1.222 1.00 0.79 H new ATOM 282 N ALA A2064 3.727 5.876 0.835 1.00 0.25 N ATOM 283 CA ALA A2064 2.446 6.517 1.081 1.00 0.27 C ATOM 284 C ALA A2064 1.881 7.061 -0.223 1.00 0.25 C ATOM 285 O ALA A2064 0.669 7.134 -0.411 1.00 0.30 O ATOM 286 CB ALA A2064 2.602 7.633 2.100 1.00 0.37 C ATOM 0 H ALA A2064 4.518 6.340 1.282 1.00 0.25 H new ATOM 0 HA ALA A2064 1.752 5.779 1.484 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.635 8.104 2.274 1.00 0.37 H new ATOM 0 HB2 ALA A2064 2.979 7.221 3.036 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.304 8.376 1.722 1.00 0.37 H new ATOM 292 N THR A2065 2.782 7.416 -1.130 1.00 0.24 N ATOM 293 CA THR A2065 2.399 7.906 -2.443 1.00 0.27 C ATOM 294 C THR A2065 1.905 6.746 -3.301 1.00 0.24 C ATOM 295 O THR A2065 1.043 6.912 -4.164 1.00 0.29 O ATOM 296 CB THR A2065 3.580 8.616 -3.134 1.00 0.35 C ATOM 297 OG1 THR A2065 4.062 9.681 -2.298 1.00 0.40 O ATOM 298 CG2 THR A2065 3.168 9.183 -4.484 1.00 0.42 C ATOM 0 H THR A2065 3.789 7.372 -0.976 1.00 0.24 H new ATOM 0 HA THR A2065 1.595 8.632 -2.321 1.00 0.27 H new ATOM 0 HB THR A2065 4.369 7.881 -3.294 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.419 9.307 -1.465 1.00 0.40 H new ATOM 0 HG21 THR A2065 4.022 9.678 -4.947 1.00 0.42 H new ATOM 0 HG22 THR A2065 2.824 8.374 -5.129 1.00 0.42 H new ATOM 0 HG23 THR A2065 2.362 9.904 -4.345 1.00 0.42 H new ATOM 306 N LEU A2066 2.449 5.563 -3.041 1.00 0.21 N ATOM 307 CA LEU A2066 2.006 4.356 -3.717 1.00 0.21 C ATOM 308 C LEU A2066 0.627 3.957 -3.243 1.00 0.18 C ATOM 309 O LEU A2066 -0.316 3.949 -4.019 1.00 0.20 O ATOM 310 CB LEU A2066 2.978 3.199 -3.474 1.00 0.24 C ATOM 311 CG LEU A2066 2.459 1.822 -3.903 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.995 1.850 -5.351 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.531 0.760 -3.712 1.00 0.36 C ATOM 0 H LEU A2066 3.199 5.417 -2.365 1.00 0.21 H new ATOM 0 HA LEU A2066 1.974 4.571 -4.785 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.906 3.404 -4.008 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.222 3.165 -2.412 1.00 0.24 H new ATOM 0 HG LEU A2066 1.607 1.570 -3.272 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.631 0.863 -5.635 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.192 2.579 -5.462 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.829 2.128 -5.995 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.142 -0.210 -4.022 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.403 1.011 -4.315 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.817 0.717 -2.661 1.00 0.36 H new ATOM 325 N VAL A2067 0.526 3.627 -1.969 1.00 0.17 N ATOM 326 CA VAL A2067 -0.723 3.141 -1.392 1.00 0.18 C ATOM 327 C VAL A2067 -1.889 4.102 -1.656 1.00 0.19 C ATOM 328 O VAL A2067 -3.003 3.666 -1.961 1.00 0.22 O ATOM 329 CB VAL A2067 -0.572 2.874 0.118 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.055 4.103 0.847 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.890 2.420 0.709 1.00 0.64 C ATOM 0 H VAL A2067 1.298 3.686 -1.306 1.00 0.17 H new ATOM 0 HA VAL A2067 -0.955 2.198 -1.887 1.00 0.18 H new ATOM 0 HB VAL A2067 0.161 2.078 0.246 1.00 0.21 H new ATOM 0 HG11 VAL A2067 0.041 3.882 1.910 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.919 4.381 0.445 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.753 4.928 0.709 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.766 2.236 1.776 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.642 3.195 0.560 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.212 1.502 0.217 1.00 0.64 H new ATOM 341 N ALA A2068 -1.628 5.400 -1.559 1.00 0.19 N ATOM 342 CA ALA A2068 -2.632 6.405 -1.882 1.00 0.23 C ATOM 343 C ALA A2068 -3.045 6.300 -3.348 1.00 0.23 C ATOM 344 O ALA A2068 -4.227 6.169 -3.661 1.00 0.29 O ATOM 345 CB ALA A2068 -2.119 7.803 -1.567 1.00 0.27 C ATOM 0 H ALA A2068 -0.730 5.781 -1.260 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.510 6.219 -1.264 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.886 8.537 -1.816 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.881 7.873 -0.505 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.222 8.002 -2.153 1.00 0.27 H new ATOM 351 N ALA A2069 -2.068 6.322 -4.248 1.00 0.20 N ATOM 352 CA ALA A2069 -2.349 6.220 -5.671 1.00 0.22 C ATOM 353 C ALA A2069 -2.980 4.871 -5.996 1.00 0.23 C ATOM 354 O ALA A2069 -3.798 4.755 -6.911 1.00 0.29 O ATOM 355 CB ALA A2069 -1.075 6.421 -6.470 1.00 0.25 C ATOM 0 H ALA A2069 -1.079 6.409 -4.016 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.058 7.001 -5.944 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.297 6.343 -7.534 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -0.664 7.408 -6.257 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.348 5.657 -6.194 1.00 0.25 H new ATOM 361 N ALA A2070 -2.608 3.863 -5.219 1.00 0.21 N ATOM 362 CA ALA A2070 -3.130 2.521 -5.383 1.00 0.24 C ATOM 363 C ALA A2070 -4.629 2.504 -5.163 1.00 0.26 C ATOM 364 O ALA A2070 -5.388 2.175 -6.070 1.00 0.34 O ATOM 365 CB ALA A2070 -2.453 1.563 -4.420 1.00 0.25 C ATOM 0 H ALA A2070 -1.935 3.957 -4.458 1.00 0.21 H new ATOM 0 HA ALA A2070 -2.921 2.197 -6.403 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -2.858 0.561 -4.559 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.380 1.550 -4.613 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.633 1.889 -3.396 1.00 0.25 H new ATOM 371 N THR A2071 -5.052 2.909 -3.969 1.00 0.24 N ATOM 372 CA THR A2071 -6.455 2.829 -3.592 1.00 0.28 C ATOM 373 C THR A2071 -7.283 3.826 -4.395 1.00 0.31 C ATOM 374 O THR A2071 -8.464 3.605 -4.664 1.00 0.37 O ATOM 375 CB THR A2071 -6.645 3.049 -2.075 1.00 0.30 C ATOM 376 OG1 THR A2071 -7.910 2.531 -1.652 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.560 4.512 -1.698 1.00 0.29 C ATOM 0 H THR A2071 -4.442 3.295 -3.248 1.00 0.24 H new ATOM 0 HA THR A2071 -6.807 1.824 -3.824 1.00 0.28 H new ATOM 0 HB THR A2071 -5.836 2.518 -1.573 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.879 2.336 -0.692 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.699 4.619 -0.622 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.582 4.904 -1.978 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.337 5.068 -2.222 1.00 0.29 H new ATOM 385 N ALA A2072 -6.640 4.907 -4.805 1.00 0.31 N ATOM 386 CA ALA A2072 -7.267 5.882 -5.680 1.00 0.40 C ATOM 387 C ALA A2072 -7.579 5.258 -7.033 1.00 0.42 C ATOM 388 O ALA A2072 -8.603 5.558 -7.636 1.00 0.54 O ATOM 389 CB ALA A2072 -6.378 7.106 -5.827 1.00 0.47 C ATOM 0 H ALA A2072 -5.680 5.131 -4.544 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.209 6.202 -5.235 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -6.860 7.829 -6.485 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.216 7.558 -4.848 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.419 6.810 -6.253 1.00 0.47 H new ATOM 395 N THR A2073 -6.708 4.378 -7.498 1.00 0.36 N ATOM 396 CA THR A2073 -6.933 3.683 -8.754 1.00 0.40 C ATOM 397 C THR A2073 -8.101 2.702 -8.622 1.00 0.29 C ATOM 398 O THR A2073 -8.878 2.504 -9.558 1.00 0.34 O ATOM 399 CB THR A2073 -5.661 2.930 -9.202 1.00 0.49 C ATOM 400 OG1 THR A2073 -4.560 3.846 -9.297 1.00 0.60 O ATOM 401 CG2 THR A2073 -5.864 2.250 -10.546 1.00 0.58 C ATOM 0 H THR A2073 -5.839 4.128 -7.025 1.00 0.36 H new ATOM 0 HA THR A2073 -7.180 4.428 -9.511 1.00 0.40 H new ATOM 0 HB THR A2073 -5.446 2.164 -8.456 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.121 3.921 -8.424 1.00 0.60 H new ATOM 0 HG21 THR A2073 -4.950 1.729 -10.832 1.00 0.58 H new ATOM 0 HG22 THR A2073 -6.682 1.533 -10.471 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.106 2.999 -11.300 1.00 0.58 H new ATOM 409 N VAL A2074 -8.235 2.121 -7.436 1.00 0.20 N ATOM 410 CA VAL A2074 -9.263 1.117 -7.180 1.00 0.22 C ATOM 411 C VAL A2074 -10.642 1.755 -7.106 1.00 0.27 C ATOM 412 O VAL A2074 -11.522 1.455 -7.911 1.00 0.41 O ATOM 413 CB VAL A2074 -9.008 0.376 -5.863 1.00 0.27 C ATOM 414 CG1 VAL A2074 -9.685 -0.969 -5.847 1.00 0.78 C ATOM 415 CG2 VAL A2074 -7.532 0.225 -5.593 1.00 0.72 C ATOM 0 H VAL A2074 -7.642 2.328 -6.632 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.222 0.411 -8.009 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.439 0.982 -5.067 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -9.483 -1.467 -4.899 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -10.760 -0.836 -5.965 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -9.302 -1.579 -6.665 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -7.387 -0.305 -4.652 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -7.070 -0.340 -6.402 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -7.071 1.211 -5.530 1.00 0.72 H new ATOM 425 N LEU A2075 -10.816 2.642 -6.138 1.00 0.27 N ATOM 426 CA LEU A2075 -12.090 3.309 -5.926 1.00 0.37 C ATOM 427 C LEU A2075 -12.397 4.295 -7.046 1.00 0.42 C ATOM 428 O LEU A2075 -11.512 5.017 -7.511 1.00 1.24 O ATOM 429 CB LEU A2075 -12.106 4.030 -4.577 1.00 0.44 C ATOM 430 CG LEU A2075 -12.227 3.109 -3.368 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.039 2.191 -3.288 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.391 3.905 -2.083 1.00 1.04 C ATOM 0 H LEU A2075 -10.084 2.918 -5.483 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.864 2.541 -5.927 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.191 4.615 -4.482 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.938 4.734 -4.566 1.00 0.44 H new ATOM 0 HG LEU A2075 -13.123 2.501 -3.492 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.140 1.540 -2.420 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -10.986 1.585 -4.192 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -10.128 2.782 -3.194 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.475 3.220 -1.239 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -11.524 4.551 -1.942 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -13.292 4.515 -2.146 1.00 1.04 H new ATOM 444 N GLY A2076 -13.660 4.336 -7.457 1.00 1.16 N ATOM 445 CA GLY A2076 -14.067 5.186 -8.560 1.00 1.30 C ATOM 446 C GLY A2076 -14.092 6.660 -8.201 1.00 0.86 C ATOM 447 O GLY A2076 -15.152 7.216 -7.911 1.00 1.11 O ATOM 0 H GLY A2076 -14.415 3.790 -7.041 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -13.386 5.034 -9.398 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -15.059 4.884 -8.896 1.00 1.30 H new ATOM 451 N HIS A2077 -12.918 7.278 -8.225 1.00 0.88 N ATOM 452 CA HIS A2077 -12.760 8.712 -7.972 1.00 0.79 C ATOM 453 C HIS A2077 -11.302 9.102 -8.195 1.00 1.18 C ATOM 454 O HIS A2077 -11.010 10.168 -8.730 1.00 2.09 O ATOM 455 CB HIS A2077 -13.200 9.100 -6.541 1.00 1.03 C ATOM 456 CG HIS A2077 -12.321 8.563 -5.446 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.182 9.205 -5.008 1.00 1.17 N ATOM 458 CD2 HIS A2077 -12.409 7.428 -4.718 1.00 0.89 C ATOM 459 CE1 HIS A2077 -10.605 8.480 -4.068 1.00 1.04 C ATOM 460 NE2 HIS A2077 -11.329 7.397 -3.867 1.00 0.92 N ATOM 0 H HIS A2077 -12.040 6.798 -8.422 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.404 9.252 -8.666 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -13.227 10.187 -6.466 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.217 8.744 -6.379 1.00 1.03 H new ATOM 0 HD1 HIS A2077 -10.839 10.100 -5.356 1.00 1.17 H new ATOM 0 HD2 HIS A2077 -13.186 6.681 -4.791 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -9.692 8.732 -3.550 1.00 1.04 H new ATOM 469 N HIS A2078 -10.402 8.201 -7.793 1.00 1.15 N ATOM 470 CA HIS A2078 -8.958 8.399 -7.907 1.00 1.82 C ATOM 471 C HIS A2078 -8.514 9.787 -7.450 1.00 1.20 C ATOM 472 O HIS A2078 -8.314 10.701 -8.250 1.00 1.46 O ATOM 473 CB HIS A2078 -8.486 8.077 -9.329 1.00 2.98 C ATOM 474 CG HIS A2078 -7.052 8.406 -9.620 1.00 4.08 C ATOM 475 ND1 HIS A2078 -6.663 9.367 -10.526 1.00 5.04 N ATOM 476 CD2 HIS A2078 -5.916 7.871 -9.134 1.00 4.50 C ATOM 477 CE1 HIS A2078 -5.345 9.404 -10.584 1.00 5.96 C ATOM 478 NE2 HIS A2078 -4.865 8.505 -9.747 1.00 5.67 N ATOM 0 H HIS A2078 -10.659 7.306 -7.376 1.00 1.15 H new ATOM 0 HA HIS A2078 -8.475 7.700 -7.224 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -8.642 7.014 -9.514 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.116 8.619 -10.034 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -5.845 7.086 -8.396 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -4.759 10.060 -11.211 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -3.877 8.313 -9.583 1.00 5.67 H new ATOM 487 N THR A2079 -8.357 9.926 -6.146 1.00 1.12 N ATOM 488 CA THR A2079 -7.861 11.154 -5.561 1.00 0.78 C ATOM 489 C THR A2079 -6.991 10.833 -4.357 1.00 0.67 C ATOM 490 O THR A2079 -7.502 10.609 -3.263 1.00 0.86 O ATOM 491 CB THR A2079 -9.004 12.072 -5.106 1.00 1.25 C ATOM 492 OG1 THR A2079 -10.227 11.692 -5.758 1.00 1.52 O ATOM 493 CG2 THR A2079 -8.673 13.518 -5.428 1.00 1.42 C ATOM 0 H THR A2079 -8.569 9.194 -5.468 1.00 1.12 H new ATOM 0 HA THR A2079 -7.284 11.671 -6.328 1.00 0.78 H new ATOM 0 HB THR A2079 -9.129 11.971 -4.028 1.00 1.25 H new ATOM 0 HG1 THR A2079 -10.952 12.281 -5.462 1.00 1.52 H new ATOM 0 HG21 THR A2079 -9.491 14.160 -5.101 1.00 1.42 H new ATOM 0 HG22 THR A2079 -7.757 13.805 -4.911 1.00 1.42 H new ATOM 0 HG23 THR A2079 -8.533 13.628 -6.503 1.00 1.42 H new ATOM 501 N PRO A2080 -5.667 10.803 -4.538 1.00 0.48 N ATOM 502 CA PRO A2080 -4.733 10.493 -3.461 1.00 0.48 C ATOM 503 C PRO A2080 -4.616 11.672 -2.509 1.00 0.69 C ATOM 504 O PRO A2080 -4.191 11.539 -1.361 1.00 0.70 O ATOM 505 CB PRO A2080 -3.399 10.239 -4.185 1.00 0.56 C ATOM 506 CG PRO A2080 -3.710 10.288 -5.650 1.00 0.56 C ATOM 507 CD PRO A2080 -4.966 11.100 -5.786 1.00 0.50 C ATOM 0 HA PRO A2080 -5.047 9.641 -2.858 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.660 10.994 -3.917 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.982 9.271 -3.907 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.891 10.743 -6.207 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -3.850 9.284 -6.052 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.753 12.164 -5.889 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.548 10.805 -6.659 1.00 0.50 H new ATOM 515 N GLU A2081 -5.036 12.820 -3.017 1.00 0.93 N ATOM 516 CA GLU A2081 -5.016 14.074 -2.285 1.00 1.22 C ATOM 517 C GLU A2081 -5.876 13.992 -1.033 1.00 1.21 C ATOM 518 O GLU A2081 -5.541 14.560 0.003 1.00 1.32 O ATOM 519 CB GLU A2081 -5.550 15.185 -3.183 1.00 1.52 C ATOM 520 CG GLU A2081 -4.927 15.211 -4.559 1.00 2.12 C ATOM 521 CD GLU A2081 -5.310 16.446 -5.346 1.00 2.46 C ATOM 522 OE1 GLU A2081 -4.677 17.501 -5.147 1.00 2.53 O ATOM 523 OE2 GLU A2081 -6.241 16.367 -6.171 1.00 2.96 O ATOM 0 H GLU A2081 -5.406 12.907 -3.964 1.00 0.93 H new ATOM 0 HA GLU A2081 -3.989 14.283 -1.987 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -6.629 15.069 -3.285 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -5.377 16.146 -2.698 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -3.842 15.167 -4.464 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -5.235 14.323 -5.111 1.00 2.12 H new ATOM 530 N SER A2082 -6.977 13.266 -1.137 1.00 1.13 N ATOM 531 CA SER A2082 -7.954 13.212 -0.066 1.00 1.23 C ATOM 532 C SER A2082 -7.787 11.944 0.773 1.00 0.99 C ATOM 533 O SER A2082 -8.590 11.671 1.667 1.00 1.06 O ATOM 534 CB SER A2082 -9.366 13.292 -0.662 1.00 1.44 C ATOM 535 OG SER A2082 -10.362 13.311 0.346 1.00 1.70 O ATOM 0 H SER A2082 -7.215 12.705 -1.955 1.00 1.13 H new ATOM 0 HA SER A2082 -7.796 14.062 0.598 1.00 1.23 H new ATOM 0 HB2 SER A2082 -9.452 14.189 -1.275 1.00 1.44 H new ATOM 0 HB3 SER A2082 -9.531 12.439 -1.321 1.00 1.44 H new ATOM 0 HG SER A2082 -10.071 12.761 1.103 1.00 1.70 H new ATOM 541 N ILE A2083 -6.742 11.174 0.504 1.00 0.76 N ATOM 542 CA ILE A2083 -6.508 9.954 1.253 1.00 0.55 C ATOM 543 C ILE A2083 -5.702 10.250 2.508 1.00 0.43 C ATOM 544 O ILE A2083 -4.475 10.373 2.466 1.00 0.46 O ATOM 545 CB ILE A2083 -5.791 8.905 0.389 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.574 8.720 -0.910 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.655 7.583 1.139 1.00 0.42 C ATOM 548 CD1 ILE A2083 -5.989 7.691 -1.839 1.00 0.47 C ATOM 0 H ILE A2083 -6.051 11.372 -0.220 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.475 9.545 1.546 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.783 9.250 0.158 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.598 8.434 -0.667 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -6.625 9.676 -1.430 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.144 6.857 0.507 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.078 7.739 2.051 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.645 7.207 1.396 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.603 7.620 -2.737 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -4.976 7.984 -2.115 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -5.964 6.722 -1.340 1.00 0.47 H new ATOM 560 N SER A2084 -6.409 10.398 3.617 1.00 0.38 N ATOM 561 CA SER A2084 -5.783 10.682 4.893 1.00 0.32 C ATOM 562 C SER A2084 -5.244 9.402 5.524 1.00 0.29 C ATOM 563 O SER A2084 -5.937 8.389 5.592 1.00 0.31 O ATOM 564 CB SER A2084 -6.792 11.348 5.827 1.00 0.36 C ATOM 565 OG SER A2084 -7.355 12.504 5.224 1.00 0.42 O ATOM 0 H SER A2084 -7.426 10.325 3.656 1.00 0.38 H new ATOM 0 HA SER A2084 -4.946 11.361 4.729 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.583 10.641 6.077 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.303 11.622 6.762 1.00 0.36 H new ATOM 0 HG SER A2084 -7.999 12.913 5.839 1.00 0.42 H new ATOM 571 N PRO A2085 -3.990 9.448 5.996 1.00 0.29 N ATOM 572 CA PRO A2085 -3.301 8.287 6.578 1.00 0.28 C ATOM 573 C PRO A2085 -3.890 7.856 7.914 1.00 0.28 C ATOM 574 O PRO A2085 -3.766 6.698 8.316 1.00 0.33 O ATOM 575 CB PRO A2085 -1.878 8.797 6.780 1.00 0.32 C ATOM 576 CG PRO A2085 -2.044 10.265 6.951 1.00 0.36 C ATOM 577 CD PRO A2085 -3.133 10.648 5.998 1.00 0.36 C ATOM 0 HA PRO A2085 -3.382 7.409 5.937 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.412 8.343 7.654 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -1.245 8.564 5.924 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.313 10.514 7.977 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.119 10.795 6.726 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.674 11.533 6.334 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.744 10.871 5.005 1.00 0.36 H new ATOM 585 N ALA A2086 -4.505 8.805 8.604 1.00 0.30 N ATOM 586 CA ALA A2086 -5.118 8.542 9.900 1.00 0.36 C ATOM 587 C ALA A2086 -6.409 7.745 9.750 1.00 0.30 C ATOM 588 O ALA A2086 -6.835 7.050 10.674 1.00 0.28 O ATOM 589 CB ALA A2086 -5.385 9.851 10.629 1.00 0.47 C ATOM 0 H ALA A2086 -4.594 9.770 8.287 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.422 7.943 10.488 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.843 9.642 11.596 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -4.445 10.382 10.780 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -6.059 10.468 10.034 1.00 0.47 H new ATOM 595 N THR A2087 -7.024 7.844 8.581 1.00 0.32 N ATOM 596 CA THR A2087 -8.268 7.146 8.314 1.00 0.28 C ATOM 597 C THR A2087 -7.987 5.714 7.864 1.00 0.24 C ATOM 598 O THR A2087 -6.906 5.410 7.365 1.00 0.28 O ATOM 599 CB THR A2087 -9.073 7.874 7.223 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.926 9.292 7.379 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.548 7.510 7.295 1.00 0.34 C ATOM 0 H THR A2087 -6.679 8.403 7.801 1.00 0.32 H new ATOM 0 HA THR A2087 -8.850 7.128 9.235 1.00 0.28 H new ATOM 0 HB THR A2087 -8.687 7.564 6.252 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.438 9.753 6.682 1.00 0.39 H new ATOM 0 HG21 THR A2087 -11.092 8.039 6.513 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.665 6.435 7.155 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.946 7.794 8.269 1.00 0.34 H new ATOM 609 N ALA A2088 -8.962 4.846 8.048 1.00 0.23 N ATOM 610 CA ALA A2088 -8.832 3.444 7.681 1.00 0.25 C ATOM 611 C ALA A2088 -9.438 3.198 6.313 1.00 0.22 C ATOM 612 O ALA A2088 -10.414 3.848 5.952 1.00 0.25 O ATOM 613 CB ALA A2088 -9.521 2.571 8.716 1.00 0.32 C ATOM 0 H ALA A2088 -9.865 5.089 8.455 1.00 0.23 H new ATOM 0 HA ALA A2088 -7.773 3.189 7.646 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.419 1.523 8.434 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.061 2.731 9.691 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.578 2.832 8.767 1.00 0.32 H new ATOM 619 N PHE A2089 -8.872 2.259 5.557 1.00 0.21 N ATOM 620 CA PHE A2089 -9.416 1.902 4.245 1.00 0.20 C ATOM 621 C PHE A2089 -10.892 1.556 4.346 1.00 0.24 C ATOM 622 O PHE A2089 -11.670 1.830 3.432 1.00 0.26 O ATOM 623 CB PHE A2089 -8.658 0.729 3.635 1.00 0.21 C ATOM 624 CG PHE A2089 -7.391 1.127 2.949 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.386 2.139 2.001 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.209 0.491 3.249 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.216 2.506 1.374 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.038 0.851 2.624 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.040 1.861 1.686 1.00 0.34 C ATOM 0 H PHE A2089 -8.041 1.733 5.827 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.298 2.771 3.597 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.426 0.010 4.420 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.305 0.222 2.919 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.308 2.644 1.752 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.200 -0.300 3.984 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.221 3.298 0.639 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.117 0.342 2.868 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.121 2.146 1.196 1.00 0.34 H new ATOM 639 N LYS A2090 -11.262 0.974 5.476 1.00 0.30 N ATOM 640 CA LYS A2090 -12.627 0.650 5.778 1.00 0.40 C ATOM 641 C LYS A2090 -13.518 1.874 5.619 1.00 0.37 C ATOM 642 O LYS A2090 -14.597 1.816 5.030 1.00 0.47 O ATOM 643 CB LYS A2090 -12.659 0.165 7.193 1.00 0.55 C ATOM 644 CG LYS A2090 -11.847 -1.090 7.391 1.00 1.19 C ATOM 645 CD LYS A2090 -11.462 -1.224 8.829 1.00 1.79 C ATOM 646 CE LYS A2090 -12.651 -1.623 9.678 1.00 2.14 C ATOM 647 NZ LYS A2090 -13.127 -2.997 9.362 1.00 2.91 N ATOM 0 H LYS A2090 -10.606 0.714 6.212 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.000 -0.114 5.095 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.279 0.947 7.851 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.692 -0.024 7.486 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -12.424 -1.960 7.077 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -10.953 -1.058 6.768 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -10.673 -1.970 8.929 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -11.055 -0.279 9.189 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -12.379 -1.567 10.732 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -13.463 -0.913 9.521 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -13.692 -3.360 10.156 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -13.713 -2.972 8.503 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -12.309 -3.620 9.205 1.00 2.91 H new ATOM 661 N ASP A2091 -13.026 2.986 6.141 1.00 0.33 N ATOM 662 CA ASP A2091 -13.725 4.259 6.075 1.00 0.35 C ATOM 663 C ASP A2091 -13.535 4.945 4.722 1.00 0.33 C ATOM 664 O ASP A2091 -14.422 5.663 4.266 1.00 0.39 O ATOM 665 CB ASP A2091 -13.235 5.176 7.196 1.00 0.38 C ATOM 666 CG ASP A2091 -13.793 4.796 8.549 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.108 4.069 9.295 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.925 5.217 8.870 1.00 1.04 O ATOM 0 H ASP A2091 -12.128 3.031 6.624 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.790 4.060 6.197 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -12.146 5.145 7.235 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -13.516 6.204 6.968 1.00 0.38 H new ATOM 673 N LEU A2092 -12.385 4.727 4.077 1.00 0.30 N ATOM 674 CA LEU A2092 -12.112 5.363 2.787 1.00 0.32 C ATOM 675 C LEU A2092 -12.988 4.789 1.675 1.00 0.30 C ATOM 676 O LEU A2092 -13.215 5.450 0.664 1.00 0.36 O ATOM 677 CB LEU A2092 -10.637 5.220 2.375 1.00 0.34 C ATOM 678 CG LEU A2092 -9.657 6.289 2.891 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.332 7.645 3.041 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.013 5.862 4.196 1.00 0.61 C ATOM 0 H LEU A2092 -11.638 4.124 4.422 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.345 6.419 2.921 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.284 4.246 2.714 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.589 5.215 1.286 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.871 6.391 2.143 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.608 8.373 3.407 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.715 7.970 2.074 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.156 7.565 3.750 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.326 6.638 4.534 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.785 5.707 4.949 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.464 4.933 4.044 1.00 0.61 H new ATOM 692 N GLY A2093 -13.487 3.574 1.859 1.00 0.26 N ATOM 693 CA GLY A2093 -14.365 2.993 0.859 1.00 0.26 C ATOM 694 C GLY A2093 -13.907 1.628 0.391 1.00 0.22 C ATOM 695 O GLY A2093 -14.315 1.159 -0.672 1.00 0.27 O ATOM 0 H GLY A2093 -13.304 2.985 2.672 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.371 2.911 1.270 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.425 3.664 0.002 1.00 0.26 H new ATOM 699 N ILE A2094 -13.049 0.998 1.174 1.00 0.22 N ATOM 700 CA ILE A2094 -12.550 -0.329 0.863 1.00 0.19 C ATOM 701 C ILE A2094 -13.445 -1.413 1.454 1.00 0.18 C ATOM 702 O ILE A2094 -13.816 -1.360 2.627 1.00 0.22 O ATOM 703 CB ILE A2094 -11.108 -0.493 1.391 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.156 0.401 0.607 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.639 -1.946 1.343 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.145 0.099 -0.860 1.00 0.28 C ATOM 0 H ILE A2094 -12.680 1.391 2.040 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.553 -0.441 -0.221 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.106 -0.189 2.438 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.439 1.443 0.756 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.147 0.285 1.004 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.620 -2.012 1.724 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.297 -2.561 1.957 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.665 -2.303 0.313 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.448 0.769 -1.364 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.834 -0.934 -1.017 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.145 0.242 -1.268 1.00 0.28 H new ATOM 718 N ASP A2095 -13.808 -2.374 0.618 1.00 0.19 N ATOM 719 CA ASP A2095 -14.522 -3.561 1.064 1.00 0.26 C ATOM 720 C ASP A2095 -13.644 -4.767 0.798 1.00 0.21 C ATOM 721 O ASP A2095 -12.461 -4.610 0.518 1.00 0.23 O ATOM 722 CB ASP A2095 -15.852 -3.738 0.323 1.00 0.40 C ATOM 723 CG ASP A2095 -16.806 -2.574 0.508 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.540 -2.552 1.521 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.844 -1.688 -0.372 1.00 1.07 O ATOM 0 H ASP A2095 -13.617 -2.354 -0.384 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.745 -3.456 2.126 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.652 -3.868 -0.741 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.334 -4.652 0.671 1.00 0.40 H new ATOM 730 N SER A2096 -14.204 -5.963 0.849 1.00 0.30 N ATOM 731 CA SER A2096 -13.415 -7.139 0.526 1.00 0.35 C ATOM 732 C SER A2096 -13.121 -7.175 -0.967 1.00 0.30 C ATOM 733 O SER A2096 -12.119 -7.739 -1.409 1.00 0.38 O ATOM 734 CB SER A2096 -14.148 -8.405 0.954 1.00 0.51 C ATOM 735 OG SER A2096 -15.556 -8.128 1.008 1.00 0.85 O ATOM 0 H SER A2096 -15.175 -6.144 1.104 1.00 0.30 H new ATOM 0 HA SER A2096 -12.471 -7.088 1.069 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.949 -9.213 0.250 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.791 -8.737 1.929 1.00 0.51 H new ATOM 740 N LEU A2097 -13.999 -6.536 -1.725 1.00 0.29 N ATOM 741 CA LEU A2097 -13.872 -6.465 -3.172 1.00 0.35 C ATOM 742 C LEU A2097 -12.633 -5.678 -3.557 1.00 0.26 C ATOM 743 O LEU A2097 -11.716 -6.194 -4.191 1.00 0.35 O ATOM 744 CB LEU A2097 -15.101 -5.785 -3.772 1.00 0.50 C ATOM 745 CG LEU A2097 -16.426 -6.354 -3.317 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.586 -5.552 -3.884 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.510 -7.793 -3.735 1.00 1.65 C ATOM 0 H LEU A2097 -14.818 -6.053 -1.355 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.788 -7.481 -3.559 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -15.071 -4.725 -3.521 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -15.045 -5.857 -4.858 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.491 -6.291 -2.231 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.527 -5.982 -3.542 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.514 -4.519 -3.544 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.549 -5.579 -4.973 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.463 -8.211 -3.411 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.434 -7.862 -4.820 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.694 -8.353 -3.278 1.00 1.65 H new ATOM 759 N THR A2098 -12.611 -4.428 -3.138 1.00 0.19 N ATOM 760 CA THR A2098 -11.526 -3.526 -3.475 1.00 0.16 C ATOM 761 C THR A2098 -10.256 -3.843 -2.698 1.00 0.15 C ATOM 762 O THR A2098 -9.168 -3.421 -3.084 1.00 0.19 O ATOM 763 CB THR A2098 -11.936 -2.068 -3.240 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.812 -1.987 -2.106 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.624 -1.513 -4.474 1.00 0.27 C ATOM 0 H THR A2098 -13.339 -4.011 -2.558 1.00 0.19 H new ATOM 0 HA THR A2098 -11.312 -3.669 -4.534 1.00 0.16 H new ATOM 0 HB THR A2098 -11.043 -1.475 -3.042 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.316 -1.147 -2.141 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.911 -0.477 -4.296 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.942 -1.560 -5.323 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.514 -2.104 -4.691 1.00 0.27 H new ATOM 773 N ALA A2099 -10.395 -4.594 -1.614 1.00 0.15 N ATOM 774 CA ALA A2099 -9.248 -5.013 -0.824 1.00 0.19 C ATOM 775 C ALA A2099 -8.269 -5.814 -1.675 1.00 0.22 C ATOM 776 O ALA A2099 -7.057 -5.609 -1.608 1.00 0.29 O ATOM 777 CB ALA A2099 -9.701 -5.828 0.373 1.00 0.21 C ATOM 0 H ALA A2099 -11.293 -4.926 -1.262 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.735 -4.121 -0.464 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.832 -6.134 0.955 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.360 -5.224 0.996 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.237 -6.712 0.029 1.00 0.21 H new ATOM 783 N LEU A2100 -8.793 -6.709 -2.498 1.00 0.22 N ATOM 784 CA LEU A2100 -7.941 -7.532 -3.331 1.00 0.27 C ATOM 785 C LEU A2100 -7.450 -6.733 -4.534 1.00 0.26 C ATOM 786 O LEU A2100 -6.312 -6.887 -4.955 1.00 0.29 O ATOM 787 CB LEU A2100 -8.662 -8.825 -3.749 1.00 0.31 C ATOM 788 CG LEU A2100 -9.950 -8.662 -4.560 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.650 -8.627 -6.047 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.925 -9.783 -4.243 1.00 0.40 C ATOM 0 H LEU A2100 -9.793 -6.880 -2.604 1.00 0.22 H new ATOM 0 HA LEU A2100 -7.066 -7.831 -2.754 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.967 -9.429 -4.332 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.897 -9.390 -2.847 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.409 -7.713 -4.281 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.580 -8.511 -6.603 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.989 -7.788 -6.265 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -9.165 -9.557 -6.342 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.835 -9.651 -4.829 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.470 -10.742 -4.491 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -11.171 -9.762 -3.181 1.00 0.40 H new ATOM 802 N GLU A2101 -8.304 -5.849 -5.053 1.00 0.24 N ATOM 803 CA GLU A2101 -7.949 -4.988 -6.180 1.00 0.26 C ATOM 804 C GLU A2101 -6.802 -4.053 -5.810 1.00 0.24 C ATOM 805 O GLU A2101 -5.897 -3.801 -6.612 1.00 0.27 O ATOM 806 CB GLU A2101 -9.162 -4.155 -6.581 1.00 0.29 C ATOM 807 CG GLU A2101 -10.407 -4.963 -6.858 1.00 0.35 C ATOM 808 CD GLU A2101 -10.409 -5.593 -8.233 1.00 0.50 C ATOM 809 OE1 GLU A2101 -11.178 -5.145 -9.103 1.00 0.72 O ATOM 810 OE2 GLU A2101 -9.627 -6.543 -8.449 1.00 0.56 O ATOM 0 H GLU A2101 -9.253 -5.711 -4.707 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.632 -5.619 -7.010 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.376 -3.441 -5.786 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.913 -3.577 -7.471 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.500 -5.746 -6.106 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -11.281 -4.319 -6.758 1.00 0.35 H new ATOM 817 N LEU A2102 -6.857 -3.528 -4.596 1.00 0.21 N ATOM 818 CA LEU A2102 -5.816 -2.657 -4.088 1.00 0.22 C ATOM 819 C LEU A2102 -4.513 -3.430 -3.972 1.00 0.24 C ATOM 820 O LEU A2102 -3.481 -3.013 -4.498 1.00 0.27 O ATOM 821 CB LEU A2102 -6.230 -2.122 -2.727 1.00 0.24 C ATOM 822 CG LEU A2102 -5.781 -0.702 -2.405 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.365 -0.292 -1.084 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.270 -0.586 -2.370 1.00 0.57 C ATOM 0 H LEU A2102 -7.621 -3.694 -3.941 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.669 -1.822 -4.773 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.317 -2.163 -2.657 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.836 -2.789 -1.961 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.138 -0.039 -3.193 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.049 0.723 -0.846 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.453 -0.329 -1.140 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -6.018 -0.972 -0.306 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.989 0.441 -2.137 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.871 -1.253 -1.606 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.861 -0.863 -3.342 1.00 0.57 H new ATOM 836 N ARG A2103 -4.576 -4.559 -3.277 1.00 0.26 N ATOM 837 CA ARG A2103 -3.444 -5.453 -3.145 1.00 0.34 C ATOM 838 C ARG A2103 -2.897 -5.843 -4.518 1.00 0.35 C ATOM 839 O ARG A2103 -1.688 -5.899 -4.712 1.00 0.43 O ATOM 840 CB ARG A2103 -3.871 -6.693 -2.372 1.00 0.48 C ATOM 841 CG ARG A2103 -2.731 -7.634 -2.073 1.00 0.94 C ATOM 842 CD ARG A2103 -3.212 -8.873 -1.341 1.00 0.77 C ATOM 843 NE ARG A2103 -3.930 -9.790 -2.234 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.230 -10.088 -2.133 1.00 1.48 C ATOM 845 NH1 ARG A2103 -5.979 -9.533 -1.190 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.782 -10.941 -2.984 1.00 1.60 N ATOM 0 H ARG A2103 -5.415 -4.876 -2.791 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.649 -4.942 -2.601 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.334 -6.386 -1.434 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.631 -7.225 -2.944 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -2.244 -7.926 -3.004 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.983 -7.121 -1.469 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.359 -9.389 -0.900 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.866 -8.579 -0.520 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.400 -10.232 -2.985 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -5.565 -8.872 -0.533 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -6.969 -9.767 -1.122 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.215 -11.370 -3.716 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.773 -11.168 -2.907 1.00 1.60 H new ATOM 860 N ASN A2104 -3.799 -6.114 -5.460 1.00 0.33 N ATOM 861 CA ASN A2104 -3.432 -6.382 -6.851 1.00 0.38 C ATOM 862 C ASN A2104 -2.497 -5.300 -7.383 1.00 0.39 C ATOM 863 O ASN A2104 -1.431 -5.594 -7.928 1.00 0.48 O ATOM 864 CB ASN A2104 -4.692 -6.449 -7.728 1.00 0.39 C ATOM 865 CG ASN A2104 -5.423 -7.776 -7.638 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.823 -8.819 -7.373 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.727 -7.744 -7.878 1.00 0.44 N ATOM 0 H ASN A2104 -4.803 -6.154 -5.282 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.915 -7.341 -6.886 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -5.371 -5.648 -7.435 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -4.413 -6.267 -8.766 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -7.273 -8.605 -7.847 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -7.184 -6.858 -8.094 1.00 0.44 H new ATOM 874 N THR A2105 -2.897 -4.049 -7.196 1.00 0.33 N ATOM 875 CA THR A2105 -2.106 -2.908 -7.638 1.00 0.39 C ATOM 876 C THR A2105 -0.795 -2.817 -6.853 1.00 0.42 C ATOM 877 O THR A2105 0.275 -2.621 -7.434 1.00 0.51 O ATOM 878 CB THR A2105 -2.901 -1.596 -7.476 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.185 -1.724 -8.107 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.149 -0.421 -8.087 1.00 0.51 C ATOM 0 H THR A2105 -3.773 -3.798 -6.737 1.00 0.33 H new ATOM 0 HA THR A2105 -1.875 -3.053 -8.693 1.00 0.39 H new ATOM 0 HB THR A2105 -3.031 -1.407 -6.410 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.755 -2.315 -7.572 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.732 0.491 -7.959 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.185 -0.308 -7.591 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.991 -0.604 -9.150 1.00 0.51 H new ATOM 888 N LEU A2106 -0.886 -2.975 -5.535 1.00 0.42 N ATOM 889 CA LEU A2106 0.284 -2.940 -4.661 1.00 0.55 C ATOM 890 C LEU A2106 1.297 -4.011 -5.052 1.00 0.54 C ATOM 891 O LEU A2106 2.497 -3.752 -5.089 1.00 0.56 O ATOM 892 CB LEU A2106 -0.144 -3.133 -3.202 1.00 0.74 C ATOM 893 CG LEU A2106 -1.037 -2.029 -2.636 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.448 -2.351 -1.208 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.328 -0.685 -2.700 1.00 0.81 C ATOM 0 H LEU A2106 -1.767 -3.130 -5.045 1.00 0.42 H new ATOM 0 HA LEU A2106 0.760 -1.966 -4.772 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.670 -4.084 -3.117 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.751 -3.207 -2.584 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.939 -1.971 -3.245 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.083 -1.553 -0.823 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.998 -3.292 -1.191 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.558 -2.439 -0.584 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -0.978 0.089 -2.293 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.591 -0.730 -2.116 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.088 -0.449 -3.737 1.00 0.81 H new ATOM 907 N THR A2107 0.809 -5.207 -5.358 1.00 0.56 N ATOM 908 CA THR A2107 1.672 -6.313 -5.750 1.00 0.62 C ATOM 909 C THR A2107 2.422 -5.978 -7.040 1.00 0.60 C ATOM 910 O THR A2107 3.630 -6.191 -7.147 1.00 0.64 O ATOM 911 CB THR A2107 0.860 -7.609 -5.957 1.00 0.69 C ATOM 912 OG1 THR A2107 0.050 -7.873 -4.804 1.00 0.73 O ATOM 913 CG2 THR A2107 1.780 -8.795 -6.202 1.00 0.81 C ATOM 0 H THR A2107 -0.185 -5.436 -5.342 1.00 0.56 H new ATOM 0 HA THR A2107 2.388 -6.471 -4.943 1.00 0.62 H new ATOM 0 HB THR A2107 0.224 -7.469 -6.831 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.758 -7.320 -4.839 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.183 -9.695 -6.345 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.380 -8.612 -7.094 1.00 0.81 H new ATOM 0 HG23 THR A2107 2.438 -8.928 -5.343 1.00 0.81 H new ATOM 921 N HIS A2108 1.698 -5.419 -8.001 1.00 0.58 N ATOM 922 CA HIS A2108 2.267 -5.075 -9.299 1.00 0.62 C ATOM 923 C HIS A2108 3.273 -3.932 -9.170 1.00 0.60 C ATOM 924 O HIS A2108 4.198 -3.812 -9.972 1.00 0.68 O ATOM 925 CB HIS A2108 1.143 -4.698 -10.273 1.00 0.68 C ATOM 926 CG HIS A2108 1.613 -4.350 -11.653 1.00 1.20 C ATOM 927 ND1 HIS A2108 2.083 -5.284 -12.549 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.669 -3.159 -12.293 1.00 2.24 C ATOM 929 CE1 HIS A2108 2.410 -4.685 -13.678 1.00 2.48 C ATOM 930 NE2 HIS A2108 2.167 -3.395 -13.548 1.00 2.81 N ATOM 0 H HIS A2108 0.708 -5.193 -7.905 1.00 0.58 H new ATOM 0 HA HIS A2108 2.799 -5.943 -9.688 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.442 -5.530 -10.340 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.593 -3.850 -9.864 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.376 -2.201 -11.890 1.00 2.24 H new ATOM 0 HE1 HIS A2108 2.808 -5.168 -14.558 1.00 2.48 H new ATOM 0 HE2 HIS A2108 2.324 -2.687 -14.266 1.00 2.81 H new ATOM 939 N ASN A2109 3.094 -3.107 -8.150 1.00 0.57 N ATOM 940 CA ASN A2109 3.950 -1.948 -7.941 1.00 0.64 C ATOM 941 C ASN A2109 5.109 -2.268 -7.003 1.00 0.66 C ATOM 942 O ASN A2109 5.984 -1.433 -6.769 1.00 0.85 O ATOM 943 CB ASN A2109 3.121 -0.790 -7.398 1.00 0.82 C ATOM 944 CG ASN A2109 2.692 0.167 -8.494 1.00 1.61 C ATOM 945 OD1 ASN A2109 3.431 0.414 -9.447 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.485 0.696 -8.379 1.00 2.60 N ATOM 0 H ASN A2109 2.360 -3.219 -7.451 1.00 0.57 H new ATOM 0 HA ASN A2109 4.381 -1.663 -8.901 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.238 -1.182 -6.893 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.701 -0.248 -6.651 1.00 0.82 H new ATOM 0 HD21 ASN A2109 1.137 1.333 -9.095 1.00 2.60 H new ATOM 0 HD22 ASN A2109 0.902 0.467 -7.574 1.00 2.60 H new ATOM 953 N THR A2110 5.115 -3.475 -6.459 1.00 0.65 N ATOM 954 CA THR A2110 6.203 -3.906 -5.601 1.00 0.78 C ATOM 955 C THR A2110 7.041 -4.988 -6.273 1.00 0.81 C ATOM 956 O THR A2110 8.223 -5.141 -5.975 1.00 1.02 O ATOM 957 CB THR A2110 5.683 -4.404 -4.243 1.00 0.83 C ATOM 958 OG1 THR A2110 4.607 -5.329 -4.432 1.00 0.72 O ATOM 959 CG2 THR A2110 5.212 -3.235 -3.393 1.00 1.03 C ATOM 0 H THR A2110 4.381 -4.170 -6.597 1.00 0.65 H new ATOM 0 HA THR A2110 6.838 -3.037 -5.426 1.00 0.78 H new ATOM 0 HB THR A2110 6.500 -4.909 -3.727 1.00 0.83 H new ATOM 0 HG1 THR A2110 3.793 -4.839 -4.674 1.00 0.72 H new ATOM 0 HG21 THR A2110 4.847 -3.605 -2.435 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.043 -2.550 -3.224 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.408 -2.710 -3.909 1.00 1.03 H new ATOM 967 N GLY A2111 6.418 -5.750 -7.166 1.00 0.72 N ATOM 968 CA GLY A2111 7.149 -6.721 -7.964 1.00 0.86 C ATOM 969 C GLY A2111 7.347 -8.041 -7.248 1.00 0.88 C ATOM 970 O GLY A2111 7.695 -9.050 -7.865 1.00 1.05 O ATOM 0 H GLY A2111 5.416 -5.713 -7.353 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.612 -6.896 -8.896 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.122 -6.307 -8.229 1.00 0.86 H new ATOM 974 N LEU A2112 7.108 -8.037 -5.951 1.00 0.84 N ATOM 975 CA LEU A2112 7.316 -9.210 -5.122 1.00 0.92 C ATOM 976 C LEU A2112 5.994 -9.872 -4.786 1.00 0.80 C ATOM 977 O LEU A2112 4.952 -9.522 -5.341 1.00 0.97 O ATOM 978 CB LEU A2112 8.070 -8.809 -3.850 1.00 1.21 C ATOM 979 CG LEU A2112 7.501 -7.610 -3.085 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.356 -8.020 -2.169 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.601 -6.942 -2.294 1.00 1.34 C ATOM 0 H LEU A2112 6.765 -7.222 -5.442 1.00 0.84 H new ATOM 0 HA LEU A2112 7.915 -9.935 -5.672 1.00 0.92 H new ATOM 0 HB2 LEU A2112 8.092 -9.667 -3.178 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.103 -8.587 -4.118 1.00 1.21 H new ATOM 0 HG LEU A2112 7.098 -6.903 -3.810 1.00 1.05 H new ATOM 0 HD11 LEU A2112 5.979 -7.143 -1.643 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.555 -8.460 -2.763 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.714 -8.751 -1.444 1.00 1.45 H new ATOM 0 HD21 LEU A2112 8.193 -6.090 -1.751 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.024 -7.654 -1.586 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.381 -6.599 -2.974 1.00 1.34 H new ATOM 993 N ASP A2113 6.038 -10.826 -3.876 1.00 0.77 N ATOM 994 CA ASP A2113 4.858 -11.596 -3.528 1.00 0.77 C ATOM 995 C ASP A2113 4.504 -11.398 -2.067 1.00 0.92 C ATOM 996 O ASP A2113 5.286 -11.726 -1.176 1.00 1.14 O ATOM 997 CB ASP A2113 5.077 -13.078 -3.820 1.00 0.83 C ATOM 998 CG ASP A2113 3.868 -13.921 -3.465 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.855 -14.525 -2.371 1.00 0.90 O ATOM 1000 OD2 ASP A2113 2.923 -13.985 -4.278 1.00 1.18 O ATOM 0 H ASP A2113 6.880 -11.087 -3.363 1.00 0.77 H new ATOM 0 HA ASP A2113 4.028 -11.240 -4.139 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.309 -13.207 -4.877 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.941 -13.432 -3.259 1.00 0.83 H new ATOM 1005 N LEU A2114 3.330 -10.849 -1.836 1.00 1.05 N ATOM 1006 CA LEU A2114 2.849 -10.600 -0.491 1.00 1.34 C ATOM 1007 C LEU A2114 1.537 -11.378 -0.265 1.00 1.00 C ATOM 1008 O LEU A2114 1.054 -12.028 -1.193 1.00 1.04 O ATOM 1009 CB LEU A2114 2.735 -9.069 -0.222 1.00 1.98 C ATOM 1010 CG LEU A2114 1.963 -8.187 -1.226 1.00 2.33 C ATOM 1011 CD1 LEU A2114 2.722 -8.016 -2.533 1.00 2.71 C ATOM 1012 CD2 LEU A2114 0.574 -8.733 -1.484 1.00 2.95 C ATOM 0 H LEU A2114 2.683 -10.563 -2.571 1.00 1.05 H new ATOM 0 HA LEU A2114 3.564 -10.970 0.244 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.269 -8.941 0.755 1.00 1.98 H new ATOM 0 HB3 LEU A2114 3.747 -8.672 -0.146 1.00 1.98 H new ATOM 0 HG LEU A2114 1.864 -7.202 -0.770 1.00 2.33 H new ATOM 0 HD11 LEU A2114 2.143 -7.389 -3.211 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.685 -7.545 -2.336 1.00 2.71 H new ATOM 0 HD13 LEU A2114 2.883 -8.992 -2.991 1.00 2.71 H new ATOM 0 HD21 LEU A2114 0.056 -8.089 -2.195 1.00 2.95 H new ATOM 0 HD22 LEU A2114 0.649 -9.740 -1.894 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.015 -8.763 -0.549 1.00 2.95 H new ATOM 1024 N PRO A2115 0.934 -11.340 0.941 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.192 -12.200 1.275 1.00 0.64 C ATOM 1026 C PRO A2115 -1.539 -11.589 0.899 1.00 0.57 C ATOM 1027 O PRO A2115 -1.689 -10.369 0.857 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.082 -12.328 2.792 1.00 0.76 C ATOM 1029 CG PRO A2115 0.633 -11.101 3.260 1.00 0.98 C ATOM 1030 CD PRO A2115 1.255 -10.441 2.054 1.00 1.10 C ATOM 0 HA PRO A2115 -0.153 -13.146 0.735 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.069 -12.403 3.249 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.467 -13.228 3.069 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.060 -10.420 3.753 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.399 -11.361 3.991 1.00 0.98 H new ATOM 0 HD2 PRO A2115 0.845 -9.444 1.891 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.332 -10.327 2.175 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.549 -12.444 0.640 1.00 0.57 N ATOM 1039 CA PRO A2116 -3.906 -11.997 0.311 1.00 0.62 C ATOM 1040 C PRO A2116 -4.581 -11.343 1.507 1.00 0.58 C ATOM 1041 O PRO A2116 -5.582 -10.642 1.374 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.648 -13.285 -0.072 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.599 -14.336 -0.210 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.445 -13.909 0.646 1.00 0.63 C ATOM 0 HA PRO A2116 -3.904 -11.251 -0.484 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.376 -13.558 0.692 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.197 -13.157 -1.005 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -3.979 -15.306 0.109 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.291 -14.441 -1.250 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.520 -14.314 1.655 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.493 -14.247 0.237 1.00 0.63 H new ATOM 1052 N THR A2117 -4.002 -11.570 2.671 1.00 0.54 N ATOM 1053 CA THR A2117 -4.497 -11.002 3.913 1.00 0.59 C ATOM 1054 C THR A2117 -3.975 -9.582 4.107 1.00 0.50 C ATOM 1055 O THR A2117 -4.283 -8.930 5.099 1.00 0.54 O ATOM 1056 CB THR A2117 -4.079 -11.876 5.105 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.728 -12.320 4.919 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.004 -13.074 5.245 1.00 0.86 C ATOM 0 H THR A2117 -3.174 -12.154 2.783 1.00 0.54 H new ATOM 0 HA THR A2117 -5.585 -10.969 3.858 1.00 0.59 H new ATOM 0 HB THR A2117 -4.148 -11.283 6.017 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.459 -12.876 5.679 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.689 -13.679 6.095 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.026 -12.728 5.404 1.00 0.86 H new ATOM 0 HG23 THR A2117 -4.961 -13.675 4.337 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.173 -9.142 3.142 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.615 -7.789 3.089 1.00 0.45 C ATOM 1068 C LEU A2118 -3.574 -6.727 3.645 1.00 0.41 C ATOM 1069 O LEU A2118 -3.315 -6.127 4.691 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.281 -7.479 1.627 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.188 -6.448 1.369 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.718 -5.035 1.499 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.015 -6.681 2.295 1.00 0.65 C ATOM 0 H LEU A2118 -2.885 -9.726 2.357 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.725 -7.756 3.718 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.989 -8.410 1.142 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.192 -7.136 1.137 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.843 -6.569 0.342 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.913 -4.325 1.309 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.518 -4.878 0.775 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.105 -4.883 2.506 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.757 -5.937 2.099 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.346 -6.596 3.330 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.391 -7.678 2.125 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.685 -6.510 2.950 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.631 -5.461 3.321 1.00 0.40 C ATOM 1087 C ILE A2119 -6.518 -5.915 4.482 1.00 0.42 C ATOM 1088 O ILE A2119 -7.098 -5.100 5.193 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.510 -5.056 2.115 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.636 -4.697 0.907 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.423 -3.887 2.469 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.762 -3.476 1.114 1.00 0.33 C ATOM 0 H ILE A2119 -4.954 -7.047 2.125 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.054 -4.592 3.638 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.134 -5.911 1.855 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.000 -5.549 0.667 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.280 -4.527 0.044 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.029 -3.624 1.602 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.075 -4.172 3.295 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.818 -3.029 2.763 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.176 -3.291 0.214 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.390 -2.610 1.323 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.090 -3.648 1.955 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.606 -7.224 4.675 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.382 -7.791 5.765 1.00 0.53 C ATOM 1106 C PHE A2120 -6.741 -7.437 7.102 1.00 0.52 C ATOM 1107 O PHE A2120 -7.408 -6.979 8.031 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.448 -9.315 5.625 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.276 -9.816 4.472 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.412 -10.581 4.687 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.924 -9.502 3.168 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.178 -11.024 3.627 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.687 -9.943 2.103 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.793 -10.780 2.352 1.00 3.43 C ATOM 0 H PHE A2120 -6.145 -7.916 4.085 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.390 -7.379 5.726 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.433 -9.698 5.517 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.850 -9.732 6.549 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.702 -10.834 5.696 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.043 -8.906 2.982 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.091 -11.569 3.816 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.439 -9.650 1.094 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.332 -11.225 1.529 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.433 -7.646 7.172 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.679 -7.464 8.398 1.00 0.49 C ATOM 1126 C ASP A2121 -4.333 -6.006 8.647 1.00 0.45 C ATOM 1127 O ASP A2121 -4.432 -5.525 9.772 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.389 -8.281 8.348 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.623 -9.773 8.460 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -4.595 -10.184 9.130 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -2.817 -10.543 7.892 1.00 2.00 O ATOM 0 H ASP A2121 -4.868 -7.947 6.378 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.312 -7.807 9.216 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.869 -8.070 7.413 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.732 -7.961 9.157 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.922 -5.293 7.603 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.425 -3.930 7.788 1.00 0.37 C ATOM 1138 C HIS A2122 -4.143 -2.937 6.882 1.00 0.34 C ATOM 1139 O HIS A2122 -3.503 -2.330 6.025 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.915 -3.833 7.481 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.127 -5.086 7.729 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.561 -5.394 8.947 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.801 -6.106 6.893 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.077 -6.546 8.853 1.00 0.71 C ATOM 1145 NE2 HIS A2122 -0.053 -6.999 7.621 1.00 0.63 N ATOM 0 H HIS A2122 -3.921 -5.625 6.639 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.615 -3.683 8.833 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.791 -3.547 6.437 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.489 -3.031 8.084 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -1.078 -6.197 5.853 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.615 -7.036 9.651 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.339 -7.871 7.266 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.464 -2.725 7.017 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.105 -1.729 6.186 1.00 0.34 C ATOM 1156 C PRO A2123 -5.916 -0.327 6.756 1.00 0.32 C ATOM 1157 O PRO A2123 -6.584 0.075 7.714 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.576 -2.143 6.233 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.748 -2.848 7.543 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.396 -3.390 7.940 1.00 0.41 C ATOM 0 HA PRO A2123 -5.697 -1.688 5.176 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.231 -1.274 6.165 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.827 -2.798 5.398 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.126 -2.163 8.302 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.475 -3.655 7.453 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.162 -3.159 8.979 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.354 -4.474 7.838 1.00 0.41 H new ATOM 1168 N THR A2124 -5.024 0.417 6.124 1.00 0.27 N ATOM 1169 CA THR A2124 -4.778 1.822 6.414 1.00 0.23 C ATOM 1170 C THR A2124 -3.732 2.338 5.432 1.00 0.22 C ATOM 1171 O THR A2124 -2.859 1.571 5.023 1.00 0.26 O ATOM 1172 CB THR A2124 -4.286 2.073 7.860 1.00 0.31 C ATOM 1173 OG1 THR A2124 -4.033 0.835 8.532 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.297 2.879 8.659 1.00 0.29 C ATOM 0 H THR A2124 -4.435 0.052 5.375 1.00 0.27 H new ATOM 0 HA THR A2124 -5.726 2.350 6.311 1.00 0.23 H new ATOM 0 HB THR A2124 -3.360 2.644 7.790 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.722 1.015 9.444 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.920 3.037 9.669 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.457 3.843 8.176 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.241 2.336 8.705 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.771 3.612 5.037 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.782 4.160 4.106 1.00 0.18 C ATOM 1184 C PRO A2125 -1.380 4.153 4.720 1.00 0.17 C ATOM 1185 O PRO A2125 -0.443 3.569 4.167 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.266 5.595 3.860 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.683 5.614 4.330 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.752 4.618 5.450 1.00 0.24 C ATOM 0 HA PRO A2125 -2.704 3.577 3.188 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.659 6.315 4.409 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -3.197 5.859 2.805 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.969 6.609 4.672 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.366 5.346 3.524 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.494 5.067 6.409 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.750 4.193 5.555 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.263 4.764 5.898 1.00 0.23 N ATOM 1197 CA HIS A2126 0.017 4.890 6.591 1.00 0.31 C ATOM 1198 C HIS A2126 0.543 3.538 7.066 1.00 0.29 C ATOM 1199 O HIS A2126 1.751 3.326 7.131 1.00 0.32 O ATOM 1200 CB HIS A2126 -0.129 5.843 7.783 1.00 0.45 C ATOM 1201 CG HIS A2126 1.095 5.958 8.646 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.292 6.469 8.198 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.302 5.607 9.937 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.181 6.422 9.171 1.00 0.77 C ATOM 1205 NE2 HIS A2126 2.606 5.905 10.236 1.00 0.80 N ATOM 0 H HIS A2126 -2.048 5.183 6.396 1.00 0.23 H new ATOM 0 HA HIS A2126 0.740 5.294 5.882 1.00 0.31 H new ATOM 0 HB2 HIS A2126 -0.388 6.834 7.410 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.962 5.507 8.400 1.00 0.45 H new ATOM 0 HD2 HIS A2126 0.575 5.173 10.607 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.207 6.752 9.105 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.058 5.751 11.138 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.357 2.628 7.396 1.00 0.28 N ATOM 1215 CA ALA A2127 0.049 1.342 7.943 1.00 0.29 C ATOM 1216 C ALA A2127 0.624 0.433 6.867 1.00 0.26 C ATOM 1217 O ALA A2127 1.622 -0.251 7.100 1.00 0.30 O ATOM 1218 CB ALA A2127 -1.110 0.677 8.651 1.00 0.34 C ATOM 0 H ALA A2127 -1.365 2.752 7.297 1.00 0.28 H new ATOM 0 HA ALA A2127 0.839 1.524 8.671 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.788 -0.283 9.054 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.453 1.315 9.465 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.925 0.519 7.945 1.00 0.34 H new ATOM 1224 N LEU A2128 0.008 0.421 5.686 1.00 0.22 N ATOM 1225 CA LEU A2128 0.583 -0.289 4.555 1.00 0.21 C ATOM 1226 C LEU A2128 1.941 0.300 4.220 1.00 0.21 C ATOM 1227 O LEU A2128 2.869 -0.417 3.848 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.323 -0.206 3.334 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.587 -1.049 3.398 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.293 -1.005 2.059 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.252 -2.483 3.789 1.00 0.64 C ATOM 0 H LEU A2128 -0.877 0.889 5.493 1.00 0.22 H new ATOM 0 HA LEU A2128 0.691 -1.338 4.831 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.609 0.835 3.186 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.250 -0.507 2.457 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.252 -0.642 4.160 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.199 -1.609 2.105 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.556 0.025 1.820 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.633 -1.399 1.286 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.168 -3.072 3.830 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.576 -2.913 3.050 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.772 -2.491 4.767 1.00 0.64 H new ATOM 1243 N THR A2129 2.041 1.615 4.380 1.00 0.21 N ATOM 1244 CA THR A2129 3.286 2.335 4.171 1.00 0.24 C ATOM 1245 C THR A2129 4.416 1.714 4.990 1.00 0.25 C ATOM 1246 O THR A2129 5.553 1.612 4.530 1.00 0.33 O ATOM 1247 CB THR A2129 3.120 3.821 4.556 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.103 4.433 3.750 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.420 4.586 4.396 1.00 0.32 C ATOM 0 H THR A2129 1.260 2.209 4.658 1.00 0.21 H new ATOM 0 HA THR A2129 3.541 2.266 3.114 1.00 0.24 H new ATOM 0 HB THR A2129 2.827 3.857 5.605 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.221 4.134 4.054 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.266 5.628 4.676 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.182 4.147 5.039 1.00 0.32 H new ATOM 0 HG23 THR A2129 4.747 4.534 3.358 1.00 0.32 H new ATOM 1257 N GLN A2130 4.082 1.266 6.191 1.00 0.25 N ATOM 1258 CA GLN A2130 5.064 0.658 7.076 1.00 0.28 C ATOM 1259 C GLN A2130 5.426 -0.741 6.589 1.00 0.23 C ATOM 1260 O GLN A2130 6.581 -1.155 6.667 1.00 0.22 O ATOM 1261 CB GLN A2130 4.545 0.578 8.514 1.00 0.38 C ATOM 1262 CG GLN A2130 3.872 1.847 9.011 1.00 0.52 C ATOM 1263 CD GLN A2130 3.974 2.006 10.515 1.00 1.39 C ATOM 1264 OE1 GLN A2130 4.951 1.578 11.133 1.00 2.22 O ATOM 1265 NE2 GLN A2130 2.965 2.608 11.118 1.00 1.90 N ATOM 0 H GLN A2130 3.138 1.312 6.575 1.00 0.25 H new ATOM 0 HA GLN A2130 5.952 1.289 7.063 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.836 -0.247 8.586 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.378 0.340 9.175 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.327 2.710 8.526 1.00 0.52 H new ATOM 0 HG3 GLN A2130 2.822 1.835 8.720 1.00 0.52 H new ATOM 0 HE21 GLN A2130 2.174 2.949 10.571 1.00 1.90 H new ATOM 0 HE22 GLN A2130 2.977 2.732 12.130 1.00 1.90 H new ATOM 1274 N HIS A2131 4.437 -1.460 6.066 1.00 0.25 N ATOM 1275 CA HIS A2131 4.655 -2.827 5.609 1.00 0.27 C ATOM 1276 C HIS A2131 5.504 -2.846 4.345 1.00 0.26 C ATOM 1277 O HIS A2131 6.414 -3.662 4.206 1.00 0.30 O ATOM 1278 CB HIS A2131 3.327 -3.554 5.359 1.00 0.32 C ATOM 1279 CG HIS A2131 3.510 -4.953 4.854 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.304 -5.883 5.487 1.00 0.52 N ATOM 1281 CD2 HIS A2131 3.043 -5.560 3.739 1.00 0.42 C ATOM 1282 CE1 HIS A2131 4.325 -6.997 4.784 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.566 -6.829 3.719 1.00 0.53 N ATOM 0 H HIS A2131 3.482 -1.120 5.949 1.00 0.25 H new ATOM 0 HA HIS A2131 5.188 -3.353 6.401 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.754 -3.580 6.286 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.739 -2.987 4.637 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.382 -5.127 3.002 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.870 -7.894 5.037 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.395 -7.529 2.997 1.00 0.53 H new ATOM 1292 N LEU A2132 5.205 -1.949 3.417 1.00 0.27 N ATOM 1293 CA LEU A2132 5.979 -1.872 2.191 1.00 0.33 C ATOM 1294 C LEU A2132 7.336 -1.237 2.459 1.00 0.35 C ATOM 1295 O LEU A2132 8.276 -1.416 1.688 1.00 0.47 O ATOM 1296 CB LEU A2132 5.223 -1.122 1.089 1.00 0.36 C ATOM 1297 CG LEU A2132 4.119 -1.928 0.385 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.616 -3.322 0.024 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.869 -2.019 1.246 1.00 0.42 C ATOM 0 H LEU A2132 4.443 -1.274 3.489 1.00 0.27 H new ATOM 0 HA LEU A2132 6.140 -2.889 1.832 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.777 -0.227 1.522 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.941 -0.790 0.340 1.00 0.36 H new ATOM 0 HG LEU A2132 3.860 -1.402 -0.534 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.819 -3.875 -0.473 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.473 -3.241 -0.645 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.912 -3.849 0.931 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.107 -2.595 0.721 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.111 -2.511 2.188 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.492 -1.016 1.447 1.00 0.42 H new ATOM 1311 N HIS A2133 7.436 -0.512 3.568 1.00 0.28 N ATOM 1312 CA HIS A2133 8.714 0.015 4.022 1.00 0.34 C ATOM 1313 C HIS A2133 9.659 -1.137 4.326 1.00 0.38 C ATOM 1314 O HIS A2133 10.850 -1.069 4.023 1.00 0.55 O ATOM 1315 CB HIS A2133 8.515 0.904 5.256 1.00 0.36 C ATOM 1316 CG HIS A2133 9.784 1.428 5.857 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.089 1.311 7.194 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.818 2.094 5.298 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.252 1.886 7.432 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.720 2.368 6.296 1.00 0.63 N ATOM 0 H HIS A2133 6.646 -0.277 4.168 1.00 0.28 H new ATOM 0 HA HIS A2133 9.153 0.629 3.235 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.882 1.748 4.981 1.00 0.36 H new ATOM 0 HB3 HIS A2133 7.977 0.336 6.014 1.00 0.36 H new ATOM 0 HD1 HIS A2133 9.506 0.851 7.893 1.00 0.59 H new ATOM 0 HD2 HIS A2133 10.917 2.362 4.256 1.00 0.53 H new ATOM 0 HE1 HIS A2133 11.739 1.951 8.394 1.00 0.67 H new ATOM 1329 N THR A2134 9.105 -2.197 4.900 1.00 0.32 N ATOM 1330 CA THR A2134 9.856 -3.402 5.190 1.00 0.43 C ATOM 1331 C THR A2134 10.349 -4.054 3.902 1.00 0.51 C ATOM 1332 O THR A2134 11.470 -4.544 3.838 1.00 0.66 O ATOM 1333 CB THR A2134 8.990 -4.406 5.972 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.434 -3.773 7.131 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.808 -5.613 6.395 1.00 0.74 C ATOM 0 H THR A2134 8.124 -2.241 5.176 1.00 0.32 H new ATOM 0 HA THR A2134 10.715 -3.121 5.798 1.00 0.43 H new ATOM 0 HB THR A2134 8.185 -4.743 5.318 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.883 -4.417 7.623 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.174 -6.308 6.946 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.208 -6.110 5.511 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.631 -5.290 7.033 1.00 0.74 H new ATOM 1343 N ARG A2135 9.514 -4.035 2.869 1.00 0.52 N ATOM 1344 CA ARG A2135 9.864 -4.658 1.601 1.00 0.71 C ATOM 1345 C ARG A2135 11.078 -3.979 0.979 1.00 0.88 C ATOM 1346 O ARG A2135 11.929 -4.631 0.372 1.00 1.12 O ATOM 1347 CB ARG A2135 8.690 -4.601 0.629 1.00 0.76 C ATOM 1348 CG ARG A2135 7.441 -5.306 1.135 1.00 0.74 C ATOM 1349 CD ARG A2135 7.757 -6.666 1.741 1.00 0.86 C ATOM 1350 NE ARG A2135 8.687 -7.449 0.925 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.749 -8.780 0.936 1.00 2.11 C ATOM 1352 NH1 ARG A2135 7.936 -9.482 1.715 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.634 -9.408 0.175 1.00 3.18 N ATOM 0 H ARG A2135 8.593 -3.596 2.886 1.00 0.52 H new ATOM 0 HA ARG A2135 10.108 -5.701 1.801 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.450 -3.558 0.425 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.991 -5.050 -0.317 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.950 -4.682 1.882 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.737 -5.431 0.312 1.00 0.74 H new ATOM 0 HD2 ARG A2135 8.182 -6.526 2.735 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.831 -7.227 1.867 1.00 0.86 H new ATOM 0 HE ARG A2135 9.326 -6.945 0.311 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.259 -9.003 2.309 1.00 1.86 H new ATOM 0 HH12 ARG A2135 7.988 -10.501 1.720 1.00 1.86 H new ATOM 0 HH21 ARG A2135 10.267 -8.872 -0.419 1.00 3.18 H new ATOM 0 HH22 ARG A2135 9.682 -10.427 0.183 1.00 3.18 H new ATOM 1367 N LEU A2136 11.148 -2.666 1.140 1.00 0.92 N ATOM 1368 CA LEU A2136 12.248 -1.883 0.599 1.00 1.20 C ATOM 1369 C LEU A2136 13.528 -2.096 1.402 1.00 1.16 C ATOM 1370 O LEU A2136 14.605 -2.227 0.830 1.00 1.43 O ATOM 1371 CB LEU A2136 11.891 -0.394 0.567 1.00 1.43 C ATOM 1372 CG LEU A2136 11.229 0.101 -0.723 1.00 1.71 C ATOM 1373 CD1 LEU A2136 9.846 -0.508 -0.906 1.00 2.17 C ATOM 1374 CD2 LEU A2136 11.154 1.619 -0.730 1.00 2.37 C ATOM 0 H LEU A2136 10.451 -2.118 1.644 1.00 0.92 H new ATOM 0 HA LEU A2136 12.423 -2.225 -0.421 1.00 1.20 H new ATOM 0 HB2 LEU A2136 11.223 -0.181 1.402 1.00 1.43 H new ATOM 0 HB3 LEU A2136 12.801 0.183 0.732 1.00 1.43 H new ATOM 0 HG LEU A2136 11.845 -0.222 -1.563 1.00 1.71 H new ATOM 0 HD11 LEU A2136 9.404 -0.136 -1.830 1.00 2.17 H new ATOM 0 HD12 LEU A2136 9.930 -1.594 -0.955 1.00 2.17 H new ATOM 0 HD13 LEU A2136 9.212 -0.231 -0.064 1.00 2.17 H new ATOM 0 HD21 LEU A2136 10.681 1.956 -1.653 1.00 2.37 H new ATOM 0 HD22 LEU A2136 10.567 1.958 0.123 1.00 2.37 H new ATOM 0 HD23 LEU A2136 12.160 2.033 -0.666 1.00 2.37 H new ATOM 1386 N THR A2137 13.407 -2.146 2.726 1.00 0.96 N ATOM 1387 CA THR A2137 14.569 -2.330 3.590 1.00 1.08 C ATOM 1388 C THR A2137 15.057 -3.777 3.553 1.00 1.17 C ATOM 1389 O THR A2137 16.214 -4.068 3.861 1.00 1.41 O ATOM 1390 CB THR A2137 14.260 -1.916 5.042 1.00 1.13 C ATOM 1391 OG1 THR A2137 13.021 -2.498 5.468 1.00 1.23 O ATOM 1392 CG2 THR A2137 14.184 -0.402 5.170 1.00 1.15 C ATOM 0 H THR A2137 12.520 -2.062 3.222 1.00 0.96 H new ATOM 0 HA THR A2137 15.360 -1.684 3.209 1.00 1.08 H new ATOM 0 HB THR A2137 15.068 -2.279 5.677 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.274 -1.963 5.128 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.965 -0.135 6.204 1.00 1.15 H new ATOM 0 HG22 THR A2137 15.138 0.036 4.876 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.395 -0.021 4.522 1.00 1.15 H new ATOM 1400 N GLN A2138 14.156 -4.680 3.182 1.00 1.17 N ATOM 1401 CA GLN A2138 14.497 -6.075 2.972 1.00 1.45 C ATOM 1402 C GLN A2138 15.341 -6.237 1.715 1.00 1.71 C ATOM 1403 O GLN A2138 16.107 -7.192 1.583 1.00 2.00 O ATOM 1404 CB GLN A2138 13.220 -6.904 2.860 1.00 1.78 C ATOM 1405 CG GLN A2138 12.695 -7.418 4.193 1.00 1.32 C ATOM 1406 CD GLN A2138 13.650 -8.383 4.867 1.00 1.91 C ATOM 1407 OE1 GLN A2138 14.405 -9.097 4.205 1.00 2.46 O ATOM 1408 NE2 GLN A2138 13.618 -8.420 6.187 1.00 2.57 N ATOM 0 H GLN A2138 13.173 -4.463 3.020 1.00 1.17 H new ATOM 0 HA GLN A2138 15.080 -6.427 3.823 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.447 -6.299 2.386 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.407 -7.754 2.203 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.511 -6.573 4.856 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.737 -7.913 4.035 1.00 1.32 H new ATOM 0 HE21 GLN A2138 12.978 -7.812 6.699 1.00 2.57 H new ATOM 0 HE22 GLN A2138 14.233 -9.056 6.694 1.00 2.57 H new ATOM 1417 N SER A2139 15.200 -5.294 0.798 1.00 1.82 N ATOM 1418 CA SER A2139 15.960 -5.312 -0.434 1.00 2.34 C ATOM 1419 C SER A2139 17.263 -4.540 -0.248 1.00 2.85 C ATOM 1420 O SER A2139 17.252 -3.352 0.069 1.00 3.41 O ATOM 1421 CB SER A2139 15.133 -4.712 -1.571 1.00 2.99 C ATOM 1422 OG SER A2139 15.790 -4.846 -2.821 1.00 3.48 O ATOM 0 H SER A2139 14.562 -4.504 0.888 1.00 1.82 H new ATOM 0 HA SER A2139 16.200 -6.343 -0.693 1.00 2.34 H new ATOM 0 HB2 SER A2139 14.162 -5.205 -1.615 1.00 2.99 H new ATOM 0 HB3 SER A2139 14.946 -3.657 -1.369 1.00 2.99 H new ATOM 0 HG SER A2139 15.234 -4.454 -3.526 1.00 3.48 H new ATOM 1428 N HIS A2140 18.383 -5.221 -0.421 1.00 3.20 N ATOM 1429 CA HIS A2140 19.681 -4.585 -0.257 1.00 4.12 C ATOM 1430 C HIS A2140 20.390 -4.477 -1.595 1.00 4.36 C ATOM 1431 O HIS A2140 21.143 -5.403 -1.950 1.00 4.66 O ATOM 1432 CB HIS A2140 20.544 -5.358 0.739 1.00 4.76 C ATOM 1433 CG HIS A2140 20.011 -5.353 2.139 1.00 5.33 C ATOM 1434 ND1 HIS A2140 20.424 -4.457 3.099 1.00 6.07 N ATOM 1435 CD2 HIS A2140 19.098 -6.151 2.742 1.00 5.72 C ATOM 1436 CE1 HIS A2140 19.790 -4.703 4.230 1.00 6.78 C ATOM 1437 NE2 HIS A2140 18.980 -5.726 4.040 1.00 6.61 N ATOM 1438 OXT HIS A2140 20.176 -3.468 -2.299 1.00 4.63 O ATOM 0 H HIS A2140 18.421 -6.209 -0.674 1.00 3.20 H new ATOM 0 HA HIS A2140 19.520 -3.581 0.137 1.00 4.12 H new ATOM 0 HB2 HIS A2140 20.636 -6.390 0.400 1.00 4.76 H new ATOM 0 HB3 HIS A2140 21.547 -4.932 0.742 1.00 4.76 H new ATOM 0 HD2 HIS A2140 18.562 -6.970 2.285 1.00 5.72 H new ATOM 0 HE1 HIS A2140 19.914 -4.159 5.155 1.00 6.78 H new ATOM 0 HE2 HIS A2140 18.366 -6.135 4.744 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.534 -9.271 0.526 1.00 1.26 P HETATM 1449 O26 66S A2201 -16.302 -9.635 -0.886 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.446 -10.467 1.392 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.893 -8.503 0.724 1.00 1.51 O HETATM 1452 C28 66S A2201 -19.088 -9.131 0.221 1.00 1.76 C HETATM 1453 C29 66S A2201 -20.243 -8.921 1.233 1.00 2.58 C HETATM 1454 C30 66S A2201 -19.709 -8.276 2.528 1.00 3.17 C HETATM 1455 C31 66S A2201 -20.861 -10.283 1.573 1.00 3.36 C HETATM 1456 C32 66S A2201 -21.339 -8.004 0.600 1.00 3.14 C HETATM 1457 O33 66S A2201 -22.327 -7.716 1.580 1.00 3.66 O HETATM 1458 C34 66S A2201 -20.756 -6.674 0.095 1.00 3.77 C HETATM 1459 O35 66S A2201 -20.139 -6.569 -0.947 1.00 4.48 O HETATM 1460 N36 66S A2201 -20.976 -5.612 0.889 1.00 3.99 N HETATM 1461 C37 66S A2201 -19.884 -4.886 1.548 1.00 4.65 C HETATM 1462 C38 66S A2201 -20.290 -4.389 2.948 1.00 5.05 C HETATM 1463 C39 66S A2201 -19.215 -4.722 3.963 1.00 5.31 C HETATM 1464 O40 66S A2201 -19.451 -5.291 5.016 1.00 6.12 O HETATM 1465 N41 66S A2201 -17.971 -4.346 3.629 1.00 4.83 N HETATM 1466 C42 66S A2201 -16.792 -4.795 4.362 1.00 4.77 C HETATM 1467 C43 66S A2201 -16.159 -6.034 3.712 1.00 4.00 C HETATM 1468 S1 66S A2201 -16.756 -7.580 4.465 1.00 3.68 S HETATM 1469 C1 66S A2201 -15.300 -8.108 5.292 1.00 3.22 C HETATM 1470 O1 66S A2201 -15.110 -7.893 6.474 1.00 3.95 O HETATM 1471 C2 66S A2201 -14.318 -8.838 4.422 1.00 2.52 C HETATM 1472 C3 66S A2201 -12.875 -8.459 4.805 1.00 2.11 C HETATM 1473 C4 66S A2201 -12.498 -7.101 4.186 1.00 1.89 C HETATM 1474 C5 66S A2201 -11.604 -6.301 5.149 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.443 -5.720 6.310 1.00 1.16 C HETATM 1476 C7 66S A2201 -13.461 -4.675 5.789 1.00 1.33 C HETATM 1477 C8 66S A2201 -12.787 -3.697 4.814 1.00 1.42 C