USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=24 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 : amide:sc= -4.51! C(o=-6.8!,f=-9.6!) USER MOD Set 1.2: A2133 HIS : no HD1:sc= -2.13! C(o=-6.8!,f=-12!) USER MOD Set 1.3: A2137 THR OG1 : rot 99:sc= -0.188 USER MOD Set 2.1: A2078 HIS : no HD1:sc= -1.63! C(o=-0.84!,f=-4.3!) USER MOD Set 2.2: A2082 SER OG : rot -46:sc= 0.791 USER MOD Set 3.1: A2048 HIS : no HE2:sc= 1.22 K(o=2.3,f=-7.9!) USER MOD Set 3.2: A2052 ASN : amide:sc= 1.04 K(o=2.3,f=-3.2) USER MOD Single : A2047 SER OG : rot -150:sc= 0 USER MOD Single : A2049 MET CE :methyl -177:sc= -2.11 (180deg=-2.17) USER MOD Single : A2055 SER OG : rot 180:sc= -0.869 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.0699 X(o=-0.07,f=-0.18) USER MOD Single : A2060 GLN : amide:sc= -0.0732 K(o=-0.073,f=-1.4!) USER MOD Single : A2061 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A2062 THR OG1 : rot 72:sc= 0.0111 USER MOD Single : A2065 THR OG1 : rot 82:sc= 1.21 USER MOD Single : A2071 THR OG1 : rot 155:sc= -1.58! USER MOD Single : A2073 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A2077 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-5.1!) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -160:sc= -1.47! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 177:sc= 0.603 USER MOD Single : A2104 ASN : amide:sc= -1.81! X(o=-1.8!,f=-1.4) USER MOD Single : A2105 THR OG1 : rot 73:sc= 0.692 USER MOD Single : A2107 THR OG1 : rot 58:sc= 1.02 USER MOD Single : A2108 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.14) USER MOD Single : A2109 ASN :FLIP amide:sc= -0.649 F(o=-1.7,f=-0.65) USER MOD Single : A2110 THR OG1 : rot -86:sc= 0.956 USER MOD Single : A2117 THR OG1 : rot -80:sc= -0.463 USER MOD Single : A2122 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 68:sc= 0.642 USER MOD Single : A2130 GLN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A2131 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.082) USER MOD Single : A2134 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A2138 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.6!) USER MOD Single : A2139 SER OG : rot 180:sc= 0 USER MOD Single : A2140 HIS :FLIP no HD1:sc= -0.232 F(o=-1.2,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A2046 17.467 -7.300 -5.750 1.00 6.58 N ATOM 2 CA GLY A2046 16.326 -7.004 -4.852 1.00 6.00 C ATOM 3 C GLY A2046 15.193 -6.322 -5.585 1.00 4.95 C ATOM 4 O GLY A2046 15.010 -6.528 -6.786 1.00 5.03 O ATOM 0 HA2 GLY A2046 15.964 -7.931 -4.407 1.00 6.00 H new ATOM 0 HA3 GLY A2046 16.664 -6.368 -4.034 1.00 6.00 H new ATOM 10 N SER A2047 14.432 -5.513 -4.868 1.00 4.27 N ATOM 11 CA SER A2047 13.342 -4.763 -5.466 1.00 3.35 C ATOM 12 C SER A2047 13.609 -3.262 -5.365 1.00 3.13 C ATOM 13 O SER A2047 12.785 -2.510 -4.857 1.00 3.47 O ATOM 14 CB SER A2047 12.021 -5.124 -4.780 1.00 3.02 C ATOM 15 OG SER A2047 11.741 -6.511 -4.909 1.00 3.54 O ATOM 0 H SER A2047 14.550 -5.359 -3.867 1.00 4.27 H new ATOM 0 HA SER A2047 13.270 -5.025 -6.522 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.071 -4.856 -3.725 1.00 3.02 H new ATOM 0 HB3 SER A2047 11.209 -4.543 -5.218 1.00 3.02 H new ATOM 0 HG SER A2047 10.771 -6.649 -4.919 1.00 3.54 H new ATOM 21 N HIS A2048 14.758 -2.829 -5.878 1.00 3.12 N ATOM 22 CA HIS A2048 15.177 -1.421 -5.800 1.00 3.29 C ATOM 23 C HIS A2048 14.390 -0.537 -6.771 1.00 2.68 C ATOM 24 O HIS A2048 14.862 0.523 -7.181 1.00 3.15 O ATOM 25 CB HIS A2048 16.681 -1.287 -6.063 1.00 4.29 C ATOM 26 CG HIS A2048 17.538 -1.701 -4.902 1.00 5.00 C ATOM 27 ND1 HIS A2048 18.578 -0.934 -4.423 1.00 5.92 N ATOM 28 CD2 HIS A2048 17.507 -2.811 -4.127 1.00 5.21 C ATOM 29 CE1 HIS A2048 19.147 -1.553 -3.407 1.00 6.67 C ATOM 30 NE2 HIS A2048 18.517 -2.694 -3.206 1.00 6.28 N ATOM 0 H HIS A2048 15.424 -3.434 -6.357 1.00 3.12 H new ATOM 0 HA HIS A2048 14.962 -1.077 -4.788 1.00 3.29 H new ATOM 0 HB2 HIS A2048 16.944 -1.892 -6.931 1.00 4.29 H new ATOM 0 HB3 HIS A2048 16.905 -0.251 -6.317 1.00 4.29 H new ATOM 0 HD1 HIS A2048 18.863 -0.029 -4.796 1.00 5.92 H new ATOM 0 HD2 HIS A2048 16.815 -3.636 -4.217 1.00 5.21 H new ATOM 0 HE1 HIS A2048 19.987 -1.187 -2.836 1.00 6.67 H new ATOM 39 N MET A2049 13.205 -1.008 -7.134 1.00 2.16 N ATOM 40 CA MET A2049 12.315 -0.358 -8.096 1.00 2.54 C ATOM 41 C MET A2049 12.259 1.164 -7.966 1.00 3.09 C ATOM 42 O MET A2049 12.827 1.893 -8.780 1.00 3.75 O ATOM 43 CB MET A2049 10.910 -0.941 -7.910 1.00 2.76 C ATOM 44 CG MET A2049 10.567 -1.160 -6.443 1.00 2.18 C ATOM 45 SD MET A2049 9.119 -0.248 -5.884 1.00 2.91 S ATOM 46 CE MET A2049 9.142 -0.671 -4.142 1.00 2.37 C ATOM 0 H MET A2049 12.822 -1.876 -6.759 1.00 2.16 H new ATOM 0 HA MET A2049 12.713 -0.555 -9.092 1.00 2.54 H new ATOM 0 HB2 MET A2049 10.178 -0.268 -8.356 1.00 2.76 H new ATOM 0 HB3 MET A2049 10.838 -1.889 -8.443 1.00 2.76 H new ATOM 0 HG2 MET A2049 10.401 -2.224 -6.275 1.00 2.18 H new ATOM 0 HG3 MET A2049 11.423 -0.871 -5.833 1.00 2.18 H new ATOM 0 HE1 MET A2049 8.276 -0.230 -3.649 1.00 2.37 H new ATOM 0 HE2 MET A2049 9.110 -1.755 -4.030 1.00 2.37 H new ATOM 0 HE3 MET A2049 10.054 -0.286 -3.686 1.00 2.37 H new ATOM 56 N ARG A2050 11.583 1.635 -6.942 1.00 3.38 N ATOM 57 CA ARG A2050 11.335 3.061 -6.778 1.00 4.33 C ATOM 58 C ARG A2050 12.048 3.641 -5.563 1.00 4.19 C ATOM 59 O ARG A2050 11.954 4.839 -5.298 1.00 4.88 O ATOM 60 CB ARG A2050 9.834 3.318 -6.673 1.00 5.36 C ATOM 61 CG ARG A2050 9.058 2.807 -7.871 1.00 6.15 C ATOM 62 CD ARG A2050 9.496 3.503 -9.148 1.00 6.73 C ATOM 63 NE ARG A2050 8.801 2.987 -10.323 1.00 7.76 N ATOM 64 CZ ARG A2050 9.274 3.063 -11.566 1.00 8.52 C ATOM 65 NH1 ARG A2050 10.438 3.655 -11.804 1.00 8.48 N ATOM 66 NH2 ARG A2050 8.573 2.556 -12.573 1.00 9.54 N ATOM 0 H ARG A2050 11.191 1.052 -6.203 1.00 3.38 H new ATOM 0 HA ARG A2050 11.738 3.563 -7.658 1.00 4.33 H new ATOM 0 HB2 ARG A2050 9.452 2.841 -5.770 1.00 5.36 H new ATOM 0 HB3 ARG A2050 9.661 4.389 -6.566 1.00 5.36 H new ATOM 0 HG2 ARG A2050 9.205 1.732 -7.971 1.00 6.15 H new ATOM 0 HG3 ARG A2050 7.992 2.969 -7.713 1.00 6.15 H new ATOM 0 HD2 ARG A2050 9.310 4.573 -9.059 1.00 6.73 H new ATOM 0 HD3 ARG A2050 10.571 3.376 -9.279 1.00 6.73 H new ATOM 0 HE ARG A2050 7.895 2.540 -10.184 1.00 7.76 H new ATOM 0 HH11 ARG A2050 10.974 4.054 -11.033 1.00 8.48 H new ATOM 0 HH12 ARG A2050 10.796 3.711 -12.757 1.00 8.48 H new ATOM 0 HH21 ARG A2050 7.674 2.109 -12.394 1.00 9.54 H new ATOM 0 HH22 ARG A2050 8.934 2.613 -13.525 1.00 9.54 H new ATOM 80 N LEU A2051 12.753 2.802 -4.822 1.00 3.64 N ATOM 81 CA LEU A2051 13.362 3.246 -3.574 1.00 3.84 C ATOM 82 C LEU A2051 14.872 3.078 -3.588 1.00 3.17 C ATOM 83 O LEU A2051 15.503 3.021 -2.531 1.00 3.42 O ATOM 84 CB LEU A2051 12.782 2.479 -2.387 1.00 4.74 C ATOM 85 CG LEU A2051 11.278 2.635 -2.163 1.00 5.66 C ATOM 86 CD1 LEU A2051 10.857 1.892 -0.905 1.00 6.21 C ATOM 87 CD2 LEU A2051 10.894 4.105 -2.072 1.00 6.31 C ATOM 0 H LEU A2051 12.918 1.823 -5.056 1.00 3.64 H new ATOM 0 HA LEU A2051 13.135 4.307 -3.472 1.00 3.84 H new ATOM 0 HB2 LEU A2051 13.002 1.420 -2.521 1.00 4.74 H new ATOM 0 HB3 LEU A2051 13.300 2.800 -1.483 1.00 4.74 H new ATOM 0 HG LEU A2051 10.754 2.203 -3.016 1.00 5.66 H new ATOM 0 HD11 LEU A2051 9.784 2.010 -0.755 1.00 6.21 H new ATOM 0 HD12 LEU A2051 11.095 0.834 -1.011 1.00 6.21 H new ATOM 0 HD13 LEU A2051 11.390 2.299 -0.046 1.00 6.21 H new ATOM 0 HD21 LEU A2051 9.819 4.191 -1.913 1.00 6.31 H new ATOM 0 HD22 LEU A2051 11.423 4.568 -1.239 1.00 6.31 H new ATOM 0 HD23 LEU A2051 11.165 4.610 -2.999 1.00 6.31 H new ATOM 99 N ASN A2052 15.456 3.007 -4.772 1.00 2.84 N ATOM 100 CA ASN A2052 16.891 2.804 -4.879 1.00 3.03 C ATOM 101 C ASN A2052 17.631 4.046 -4.400 1.00 2.88 C ATOM 102 O ASN A2052 17.493 5.123 -4.975 1.00 2.92 O ATOM 103 CB ASN A2052 17.280 2.483 -6.323 1.00 3.65 C ATOM 104 CG ASN A2052 18.722 2.033 -6.452 1.00 4.17 C ATOM 105 OD1 ASN A2052 19.295 1.465 -5.521 1.00 4.47 O ATOM 106 ND2 ASN A2052 19.313 2.266 -7.610 1.00 4.71 N ATOM 0 H ASN A2052 14.966 3.086 -5.663 1.00 2.84 H new ATOM 0 HA ASN A2052 17.171 1.960 -4.249 1.00 3.03 H new ATOM 0 HB2 ASN A2052 16.624 1.702 -6.707 1.00 3.65 H new ATOM 0 HB3 ASN A2052 17.122 3.366 -6.943 1.00 3.65 H new ATOM 0 HD21 ASN A2052 20.279 1.972 -7.758 1.00 4.71 H new ATOM 0 HD22 ASN A2052 18.804 2.739 -8.356 1.00 4.71 H new ATOM 113 N GLY A2053 18.409 3.885 -3.337 1.00 3.23 N ATOM 114 CA GLY A2053 19.166 4.993 -2.786 1.00 3.43 C ATOM 115 C GLY A2053 18.310 5.944 -1.969 1.00 2.89 C ATOM 116 O GLY A2053 18.761 7.024 -1.590 1.00 2.97 O ATOM 0 H GLY A2053 18.530 3.000 -2.844 1.00 3.23 H new ATOM 0 HA2 GLY A2053 19.967 4.603 -2.158 1.00 3.43 H new ATOM 0 HA3 GLY A2053 19.638 5.544 -3.599 1.00 3.43 H new ATOM 120 N LEU A2054 17.074 5.547 -1.695 1.00 2.44 N ATOM 121 CA LEU A2054 16.149 6.381 -0.943 1.00 2.06 C ATOM 122 C LEU A2054 16.344 6.198 0.554 1.00 1.93 C ATOM 123 O LEU A2054 16.643 5.100 1.027 1.00 2.10 O ATOM 124 CB LEU A2054 14.706 6.040 -1.326 1.00 1.96 C ATOM 125 CG LEU A2054 14.099 6.837 -2.488 1.00 2.68 C ATOM 126 CD1 LEU A2054 13.385 8.068 -1.961 1.00 3.19 C ATOM 127 CD2 LEU A2054 15.164 7.247 -3.492 1.00 3.31 C ATOM 0 H LEU A2054 16.689 4.648 -1.984 1.00 2.44 H new ATOM 0 HA LEU A2054 16.352 7.423 -1.190 1.00 2.06 H new ATOM 0 HB2 LEU A2054 14.662 4.981 -1.579 1.00 1.96 H new ATOM 0 HB3 LEU A2054 14.077 6.185 -0.448 1.00 1.96 H new ATOM 0 HG LEU A2054 13.382 6.193 -2.997 1.00 2.68 H new ATOM 0 HD11 LEU A2054 12.958 8.626 -2.795 1.00 3.19 H new ATOM 0 HD12 LEU A2054 12.588 7.764 -1.282 1.00 3.19 H new ATOM 0 HD13 LEU A2054 14.095 8.700 -1.427 1.00 3.19 H new ATOM 0 HD21 LEU A2054 14.702 7.810 -4.303 1.00 3.31 H new ATOM 0 HD22 LEU A2054 15.910 7.869 -2.997 1.00 3.31 H new ATOM 0 HD23 LEU A2054 15.645 6.356 -3.897 1.00 3.31 H new ATOM 139 N SER A2055 16.178 7.287 1.286 1.00 1.75 N ATOM 140 CA SER A2055 16.285 7.270 2.736 1.00 1.71 C ATOM 141 C SER A2055 14.953 6.817 3.333 1.00 1.44 C ATOM 142 O SER A2055 13.902 7.116 2.769 1.00 1.25 O ATOM 143 CB SER A2055 16.658 8.668 3.243 1.00 1.78 C ATOM 144 OG SER A2055 17.031 8.654 4.612 1.00 2.08 O ATOM 0 H SER A2055 15.966 8.205 0.894 1.00 1.75 H new ATOM 0 HA SER A2055 17.065 6.573 3.043 1.00 1.71 H new ATOM 0 HB2 SER A2055 17.481 9.062 2.647 1.00 1.78 H new ATOM 0 HB3 SER A2055 15.812 9.342 3.104 1.00 1.78 H new ATOM 0 HG SER A2055 17.263 9.562 4.897 1.00 2.08 H new ATOM 150 N PRO A2056 14.984 6.080 4.461 1.00 1.48 N ATOM 151 CA PRO A2056 13.789 5.514 5.110 1.00 1.29 C ATOM 152 C PRO A2056 12.559 6.427 5.085 1.00 1.09 C ATOM 153 O PRO A2056 11.474 5.998 4.682 1.00 0.87 O ATOM 154 CB PRO A2056 14.267 5.292 6.539 1.00 1.53 C ATOM 155 CG PRO A2056 15.707 4.945 6.393 1.00 1.78 C ATOM 156 CD PRO A2056 16.212 5.710 5.195 1.00 1.78 C ATOM 0 HA PRO A2056 13.443 4.619 4.594 1.00 1.29 H new ATOM 0 HB2 PRO A2056 14.133 6.186 7.147 1.00 1.53 H new ATOM 0 HB3 PRO A2056 13.711 4.490 7.025 1.00 1.53 H new ATOM 0 HG2 PRO A2056 16.264 5.216 7.290 1.00 1.78 H new ATOM 0 HG3 PRO A2056 15.835 3.872 6.250 1.00 1.78 H new ATOM 0 HD2 PRO A2056 16.778 6.592 5.495 1.00 1.78 H new ATOM 0 HD3 PRO A2056 16.874 5.099 4.582 1.00 1.78 H new ATOM 164 N GLN A2057 12.733 7.679 5.490 1.00 1.22 N ATOM 165 CA GLN A2057 11.646 8.627 5.543 1.00 1.17 C ATOM 166 C GLN A2057 11.125 8.938 4.140 1.00 1.01 C ATOM 167 O GLN A2057 9.918 8.952 3.904 1.00 0.95 O ATOM 168 CB GLN A2057 12.125 9.893 6.232 1.00 1.44 C ATOM 169 CG GLN A2057 11.135 11.014 6.119 1.00 1.66 C ATOM 170 CD GLN A2057 11.592 12.281 6.810 1.00 2.02 C ATOM 171 OE1 GLN A2057 12.239 13.134 6.202 1.00 2.32 O ATOM 172 NE2 GLN A2057 11.261 12.413 8.082 1.00 2.40 N ATOM 0 H GLN A2057 13.632 8.057 5.789 1.00 1.22 H new ATOM 0 HA GLN A2057 10.821 8.196 6.111 1.00 1.17 H new ATOM 0 HB2 GLN A2057 12.312 9.682 7.285 1.00 1.44 H new ATOM 0 HB3 GLN A2057 13.074 10.204 5.795 1.00 1.44 H new ATOM 0 HG2 GLN A2057 10.955 11.227 5.065 1.00 1.66 H new ATOM 0 HG3 GLN A2057 10.184 10.696 6.547 1.00 1.66 H new ATOM 0 HE21 GLN A2057 10.724 11.682 8.548 1.00 2.40 H new ATOM 0 HE22 GLN A2057 11.543 13.246 8.598 1.00 2.40 H new ATOM 181 N GLN A2058 12.051 9.160 3.212 1.00 1.07 N ATOM 182 CA GLN A2058 11.708 9.457 1.826 1.00 1.08 C ATOM 183 C GLN A2058 10.921 8.307 1.212 1.00 0.89 C ATOM 184 O GLN A2058 10.016 8.513 0.401 1.00 0.84 O ATOM 185 CB GLN A2058 12.985 9.697 1.020 1.00 1.36 C ATOM 186 CG GLN A2058 13.746 10.945 1.435 1.00 1.58 C ATOM 187 CD GLN A2058 12.962 12.217 1.184 1.00 1.86 C ATOM 188 OE1 GLN A2058 12.214 12.680 2.044 1.00 2.40 O ATOM 189 NE2 GLN A2058 13.134 12.794 0.008 1.00 2.23 N ATOM 0 H GLN A2058 13.054 9.139 3.398 1.00 1.07 H new ATOM 0 HA GLN A2058 11.089 10.354 1.804 1.00 1.08 H new ATOM 0 HB2 GLN A2058 13.639 8.832 1.127 1.00 1.36 H new ATOM 0 HB3 GLN A2058 12.728 9.774 -0.036 1.00 1.36 H new ATOM 0 HG2 GLN A2058 13.994 10.879 2.494 1.00 1.58 H new ATOM 0 HG3 GLN A2058 14.688 10.990 0.889 1.00 1.58 H new ATOM 0 HE21 GLN A2058 13.764 12.377 -0.677 1.00 2.23 H new ATOM 0 HE22 GLN A2058 12.637 13.656 -0.214 1.00 2.23 H new ATOM 198 N GLN A2059 11.269 7.096 1.621 1.00 0.87 N ATOM 199 CA GLN A2059 10.616 5.899 1.122 1.00 0.75 C ATOM 200 C GLN A2059 9.160 5.858 1.561 1.00 0.58 C ATOM 201 O GLN A2059 8.277 5.556 0.762 1.00 0.54 O ATOM 202 CB GLN A2059 11.348 4.656 1.615 1.00 0.80 C ATOM 203 CG GLN A2059 12.831 4.664 1.294 1.00 1.17 C ATOM 204 CD GLN A2059 13.552 3.452 1.841 1.00 1.86 C ATOM 205 OE1 GLN A2059 13.976 3.436 2.994 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.714 2.438 1.014 1.00 1.87 N ATOM 0 H GLN A2059 12.006 6.918 2.303 1.00 0.87 H new ATOM 0 HA GLN A2059 10.647 5.919 0.033 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.218 4.570 2.694 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.892 3.773 1.168 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.965 4.704 0.213 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.283 5.567 1.705 1.00 1.17 H new ATOM 0 HE21 GLN A2059 13.347 2.491 0.064 1.00 1.87 H new ATOM 0 HE22 GLN A2059 14.207 1.601 1.324 1.00 1.87 H new ATOM 215 N GLN A2060 8.909 6.168 2.832 1.00 0.54 N ATOM 216 CA GLN A2060 7.547 6.205 3.344 1.00 0.45 C ATOM 217 C GLN A2060 6.688 7.174 2.549 1.00 0.44 C ATOM 218 O GLN A2060 5.532 6.886 2.272 1.00 0.42 O ATOM 219 CB GLN A2060 7.520 6.590 4.819 1.00 0.55 C ATOM 220 CG GLN A2060 8.127 5.544 5.730 1.00 0.57 C ATOM 221 CD GLN A2060 7.732 5.749 7.180 1.00 0.81 C ATOM 222 OE1 GLN A2060 6.640 6.238 7.470 1.00 1.38 O ATOM 223 NE2 GLN A2060 8.613 5.392 8.100 1.00 1.01 N ATOM 0 H GLN A2060 9.628 6.395 3.519 1.00 0.54 H new ATOM 0 HA GLN A2060 7.137 5.201 3.237 1.00 0.45 H new ATOM 0 HB2 GLN A2060 8.057 7.530 4.950 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.488 6.768 5.121 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.809 4.553 5.405 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.213 5.575 5.643 1.00 0.57 H new ATOM 0 HE21 GLN A2060 9.508 4.990 7.820 1.00 1.01 H new ATOM 0 HE22 GLN A2060 8.397 5.519 9.089 1.00 1.01 H new ATOM 232 N GLN A2061 7.261 8.311 2.176 1.00 0.58 N ATOM 233 CA GLN A2061 6.543 9.306 1.381 1.00 0.61 C ATOM 234 C GLN A2061 6.055 8.681 0.088 1.00 0.51 C ATOM 235 O GLN A2061 4.890 8.817 -0.295 1.00 0.45 O ATOM 236 CB GLN A2061 7.457 10.484 1.059 1.00 0.83 C ATOM 237 CG GLN A2061 8.203 10.995 2.262 1.00 0.89 C ATOM 238 CD GLN A2061 8.853 12.344 2.034 1.00 1.29 C ATOM 239 OE1 GLN A2061 9.248 12.676 0.915 1.00 1.75 O ATOM 240 NE2 GLN A2061 8.960 13.134 3.089 1.00 1.97 N ATOM 0 H GLN A2061 8.220 8.570 2.410 1.00 0.58 H new ATOM 0 HA GLN A2061 5.690 9.662 1.958 1.00 0.61 H new ATOM 0 HB2 GLN A2061 8.174 10.183 0.295 1.00 0.83 H new ATOM 0 HB3 GLN A2061 6.862 11.294 0.636 1.00 0.83 H new ATOM 0 HG2 GLN A2061 7.515 11.069 3.104 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.970 10.272 2.540 1.00 0.89 H new ATOM 0 HE21 GLN A2061 8.620 12.820 3.998 1.00 1.97 H new ATOM 0 HE22 GLN A2061 9.383 14.057 2.994 1.00 1.97 H new ATOM 249 N THR A2062 6.974 8.000 -0.568 1.00 0.53 N ATOM 250 CA THR A2062 6.676 7.257 -1.787 1.00 0.50 C ATOM 251 C THR A2062 5.524 6.278 -1.567 1.00 0.39 C ATOM 252 O THR A2062 4.486 6.367 -2.219 1.00 0.42 O ATOM 253 CB THR A2062 7.914 6.479 -2.278 1.00 0.59 C ATOM 254 OG1 THR A2062 8.989 7.389 -2.551 1.00 0.74 O ATOM 255 CG2 THR A2062 7.593 5.667 -3.526 1.00 0.83 C ATOM 0 H THR A2062 7.949 7.943 -0.275 1.00 0.53 H new ATOM 0 HA THR A2062 6.386 7.985 -2.545 1.00 0.50 H new ATOM 0 HB THR A2062 8.215 5.789 -1.490 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.341 7.742 -1.707 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.484 5.129 -3.849 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.800 4.954 -3.302 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.265 6.336 -4.321 1.00 0.83 H new ATOM 263 N LEU A2063 5.721 5.358 -0.640 1.00 0.37 N ATOM 264 CA LEU A2063 4.753 4.323 -0.342 1.00 0.29 C ATOM 265 C LEU A2063 3.414 4.896 0.112 1.00 0.22 C ATOM 266 O LEU A2063 2.364 4.370 -0.250 1.00 0.21 O ATOM 267 CB LEU A2063 5.343 3.394 0.714 1.00 0.30 C ATOM 268 CG LEU A2063 6.369 2.391 0.182 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.444 3.066 -0.658 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.005 1.633 1.334 1.00 0.79 C ATOM 0 H LEU A2063 6.565 5.310 -0.069 1.00 0.37 H new ATOM 0 HA LEU A2063 4.546 3.763 -1.254 1.00 0.29 H new ATOM 0 HB2 LEU A2063 5.815 3.999 1.488 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.531 2.844 1.190 1.00 0.30 H new ATOM 0 HG LEU A2063 5.839 1.692 -0.464 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.151 2.317 -1.015 1.00 0.92 H new ATOM 0 HD12 LEU A2063 6.981 3.563 -1.510 1.00 0.92 H new ATOM 0 HD13 LEU A2063 7.971 3.802 -0.051 1.00 0.92 H new ATOM 0 HD21 LEU A2063 7.733 0.922 0.944 1.00 0.79 H new ATOM 0 HD22 LEU A2063 7.505 2.336 2.000 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.234 1.096 1.886 1.00 0.79 H new ATOM 282 N ALA A2064 3.454 5.980 0.880 1.00 0.25 N ATOM 283 CA ALA A2064 2.241 6.654 1.333 1.00 0.27 C ATOM 284 C ALA A2064 1.466 7.230 0.155 1.00 0.25 C ATOM 285 O ALA A2064 0.248 7.404 0.216 1.00 0.30 O ATOM 286 CB ALA A2064 2.585 7.759 2.319 1.00 0.37 C ATOM 0 H ALA A2064 4.319 6.413 1.204 1.00 0.25 H new ATOM 0 HA ALA A2064 1.612 5.917 1.832 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.670 8.252 2.647 1.00 0.37 H new ATOM 0 HB2 ALA A2064 3.096 7.331 3.181 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.236 8.488 1.836 1.00 0.37 H new ATOM 292 N THR A2065 2.179 7.520 -0.919 1.00 0.24 N ATOM 293 CA THR A2065 1.558 8.020 -2.129 1.00 0.27 C ATOM 294 C THR A2065 1.107 6.847 -2.990 1.00 0.24 C ATOM 295 O THR A2065 0.056 6.895 -3.627 1.00 0.29 O ATOM 296 CB THR A2065 2.525 8.916 -2.921 1.00 0.35 C ATOM 297 OG1 THR A2065 3.086 9.912 -2.050 1.00 0.40 O ATOM 298 CG2 THR A2065 1.812 9.600 -4.078 1.00 0.42 C ATOM 0 H THR A2065 3.192 7.417 -0.976 1.00 0.24 H new ATOM 0 HA THR A2065 0.694 8.624 -1.851 1.00 0.27 H new ATOM 0 HB THR A2065 3.318 8.288 -3.326 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.833 9.524 -1.548 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.519 10.227 -4.621 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.404 8.846 -4.751 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.001 10.218 -3.692 1.00 0.42 H new ATOM 306 N LEU A2066 1.910 5.787 -2.977 1.00 0.21 N ATOM 307 CA LEU A2066 1.588 4.555 -3.682 1.00 0.21 C ATOM 308 C LEU A2066 0.265 3.983 -3.210 1.00 0.18 C ATOM 309 O LEU A2066 -0.668 3.849 -3.986 1.00 0.20 O ATOM 310 CB LEU A2066 2.686 3.515 -3.463 1.00 0.24 C ATOM 311 CG LEU A2066 2.322 2.087 -3.889 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.831 2.053 -5.333 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.514 1.161 -3.710 1.00 0.36 C ATOM 0 H LEU A2066 2.799 5.760 -2.478 1.00 0.21 H new ATOM 0 HA LEU A2066 1.512 4.794 -4.743 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.575 3.826 -4.012 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.951 3.506 -2.406 1.00 0.24 H new ATOM 0 HG LEU A2066 1.510 1.740 -3.250 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.580 1.029 -5.608 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.946 2.682 -5.431 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.615 2.424 -5.993 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.240 0.152 -4.016 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.344 1.513 -4.323 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.814 1.153 -2.662 1.00 0.36 H new ATOM 325 N VAL A2067 0.207 3.634 -1.937 1.00 0.17 N ATOM 326 CA VAL A2067 -0.989 3.040 -1.347 1.00 0.18 C ATOM 327 C VAL A2067 -2.215 3.930 -1.562 1.00 0.19 C ATOM 328 O VAL A2067 -3.313 3.436 -1.823 1.00 0.22 O ATOM 329 CB VAL A2067 -0.785 2.765 0.154 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.398 4.030 0.904 1.00 0.51 C ATOM 331 CG2 VAL A2067 -2.036 2.166 0.750 1.00 0.64 C ATOM 0 H VAL A2067 0.981 3.752 -1.283 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.166 2.090 -1.852 1.00 0.18 H new ATOM 0 HB VAL A2067 0.034 2.053 0.255 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.262 3.799 1.961 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.533 4.425 0.496 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.187 4.774 0.794 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.878 1.976 1.812 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.867 2.860 0.625 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.267 1.228 0.244 1.00 0.64 H new ATOM 341 N ALA A2068 -2.018 5.236 -1.468 1.00 0.19 N ATOM 342 CA ALA A2068 -3.079 6.183 -1.758 1.00 0.23 C ATOM 343 C ALA A2068 -3.503 6.081 -3.218 1.00 0.23 C ATOM 344 O ALA A2068 -4.684 5.935 -3.518 1.00 0.29 O ATOM 345 CB ALA A2068 -2.643 7.598 -1.424 1.00 0.27 C ATOM 0 H ALA A2068 -1.133 5.662 -1.193 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.938 5.936 -1.133 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.454 8.291 -1.649 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -2.395 7.662 -0.365 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.767 7.859 -2.018 1.00 0.27 H new ATOM 351 N ALA A2069 -2.537 6.140 -4.127 1.00 0.20 N ATOM 352 CA ALA A2069 -2.823 6.011 -5.548 1.00 0.22 C ATOM 353 C ALA A2069 -3.433 4.655 -5.844 1.00 0.23 C ATOM 354 O ALA A2069 -4.292 4.522 -6.709 1.00 0.29 O ATOM 355 CB ALA A2069 -1.562 6.221 -6.366 1.00 0.25 C ATOM 0 H ALA A2069 -1.551 6.276 -3.905 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.543 6.780 -5.827 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.795 6.121 -7.426 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.166 7.218 -6.174 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.818 5.475 -6.086 1.00 0.25 H new ATOM 361 N ALA A2070 -2.992 3.658 -5.099 1.00 0.21 N ATOM 362 CA ALA A2070 -3.513 2.317 -5.219 1.00 0.24 C ATOM 363 C ALA A2070 -4.996 2.289 -4.870 1.00 0.26 C ATOM 364 O ALA A2070 -5.822 1.896 -5.689 1.00 0.34 O ATOM 365 CB ALA A2070 -2.726 1.369 -4.336 1.00 0.25 C ATOM 0 H ALA A2070 -2.262 3.760 -4.394 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.405 1.988 -6.252 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.128 0.361 -4.435 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.679 1.373 -4.640 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.804 1.690 -3.297 1.00 0.25 H new ATOM 371 N THR A2071 -5.337 2.772 -3.677 1.00 0.24 N ATOM 372 CA THR A2071 -6.711 2.716 -3.196 1.00 0.28 C ATOM 373 C THR A2071 -7.601 3.661 -3.989 1.00 0.31 C ATOM 374 O THR A2071 -8.785 3.392 -4.210 1.00 0.37 O ATOM 375 CB THR A2071 -6.795 3.038 -1.686 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.065 2.645 -1.165 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.584 4.512 -1.398 1.00 0.29 C ATOM 0 H THR A2071 -4.680 3.205 -3.028 1.00 0.24 H new ATOM 0 HA THR A2071 -7.068 1.697 -3.343 1.00 0.28 H new ATOM 0 HB THR A2071 -5.996 2.477 -1.202 1.00 0.30 H new ATOM 0 HG1 THR A2071 -7.986 2.477 -0.203 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.653 4.686 -0.324 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.599 4.815 -1.753 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.349 5.096 -1.910 1.00 0.29 H new ATOM 385 N ALA A2072 -7.020 4.753 -4.445 1.00 0.31 N ATOM 386 CA ALA A2072 -7.753 5.706 -5.249 1.00 0.40 C ATOM 387 C ALA A2072 -8.029 5.142 -6.637 1.00 0.42 C ATOM 388 O ALA A2072 -8.935 5.591 -7.321 1.00 0.54 O ATOM 389 CB ALA A2072 -7.012 7.024 -5.344 1.00 0.47 C ATOM 0 H ALA A2072 -6.046 5.000 -4.272 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.709 5.893 -4.759 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.586 7.721 -5.954 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.880 7.440 -4.345 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.036 6.861 -5.801 1.00 0.47 H new ATOM 395 N THR A2073 -7.247 4.149 -7.037 1.00 0.36 N ATOM 396 CA THR A2073 -7.455 3.478 -8.314 1.00 0.40 C ATOM 397 C THR A2073 -8.536 2.405 -8.201 1.00 0.29 C ATOM 398 O THR A2073 -9.375 2.258 -9.093 1.00 0.34 O ATOM 399 CB THR A2073 -6.147 2.843 -8.833 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.159 3.861 -9.035 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.370 2.092 -10.138 1.00 0.58 C ATOM 0 H THR A2073 -6.461 3.789 -6.495 1.00 0.36 H new ATOM 0 HA THR A2073 -7.782 4.236 -9.026 1.00 0.40 H new ATOM 0 HB THR A2073 -5.802 2.131 -8.083 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.555 3.888 -8.264 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.428 1.658 -10.474 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.100 1.298 -9.981 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.742 2.782 -10.896 1.00 0.58 H new ATOM 409 N VAL A2074 -8.527 1.672 -7.092 1.00 0.20 N ATOM 410 CA VAL A2074 -9.484 0.585 -6.890 1.00 0.22 C ATOM 411 C VAL A2074 -10.895 1.153 -6.766 1.00 0.27 C ATOM 412 O VAL A2074 -11.859 0.603 -7.301 1.00 0.41 O ATOM 413 CB VAL A2074 -9.141 -0.281 -5.641 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.651 -0.356 -5.451 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.779 0.235 -4.367 1.00 0.72 C ATOM 0 H VAL A2074 -7.872 1.808 -6.322 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.426 -0.069 -7.760 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.550 -1.272 -5.835 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.426 -0.964 -4.575 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.194 -0.806 -6.332 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.251 0.648 -5.308 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.502 -0.411 -3.534 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.431 1.249 -4.171 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.863 0.238 -4.479 1.00 0.72 H new ATOM 425 N LEU A2075 -10.995 2.264 -6.056 1.00 0.27 N ATOM 426 CA LEU A2075 -12.273 2.935 -5.856 1.00 0.37 C ATOM 427 C LEU A2075 -12.542 3.981 -6.936 1.00 0.42 C ATOM 428 O LEU A2075 -13.686 4.146 -7.356 1.00 1.24 O ATOM 429 CB LEU A2075 -12.310 3.585 -4.472 1.00 0.44 C ATOM 430 CG LEU A2075 -12.041 2.625 -3.312 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.202 3.326 -1.978 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.960 1.421 -3.401 1.00 1.04 C ATOM 0 H LEU A2075 -10.204 2.724 -5.606 1.00 0.27 H new ATOM 0 HA LEU A2075 -13.058 2.182 -5.926 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.572 4.387 -4.442 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.287 4.045 -4.327 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.010 2.280 -3.385 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.005 2.621 -1.170 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.497 4.155 -1.915 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.219 3.707 -1.887 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.757 0.746 -2.569 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.998 1.751 -3.356 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.786 0.899 -4.342 1.00 1.04 H new ATOM 444 N GLY A2076 -11.502 4.672 -7.391 1.00 1.16 N ATOM 445 CA GLY A2076 -11.687 5.751 -8.352 1.00 1.30 C ATOM 446 C GLY A2076 -12.586 6.837 -7.798 1.00 0.86 C ATOM 447 O GLY A2076 -13.778 6.880 -8.112 1.00 1.11 O ATOM 0 H GLY A2076 -10.534 4.507 -7.114 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -10.718 6.177 -8.614 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -12.119 5.352 -9.270 1.00 1.30 H new ATOM 451 N HIS A2077 -12.026 7.717 -6.973 1.00 0.88 N ATOM 452 CA HIS A2077 -12.856 8.647 -6.212 1.00 0.79 C ATOM 453 C HIS A2077 -12.053 9.751 -5.518 1.00 1.18 C ATOM 454 O HIS A2077 -12.641 10.621 -4.880 1.00 2.09 O ATOM 455 CB HIS A2077 -13.657 7.872 -5.150 1.00 1.03 C ATOM 456 CG HIS A2077 -12.825 7.299 -4.031 1.00 0.93 C ATOM 457 ND1 HIS A2077 -11.477 7.016 -4.149 1.00 1.17 N ATOM 458 CD2 HIS A2077 -13.156 6.983 -2.757 1.00 0.89 C ATOM 459 CE1 HIS A2077 -11.021 6.558 -2.998 1.00 1.04 C ATOM 460 NE2 HIS A2077 -12.020 6.527 -2.139 1.00 0.92 N ATOM 0 H HIS A2077 -11.022 7.806 -6.815 1.00 0.88 H new ATOM 0 HA HIS A2077 -13.517 9.131 -6.930 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -14.408 8.537 -4.723 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -14.193 7.059 -5.640 1.00 1.03 H new ATOM 0 HD2 HIS A2077 -14.135 7.073 -2.310 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -10.003 6.260 -2.795 1.00 1.04 H new ATOM 0 HE2 HIS A2077 -11.958 6.214 -1.170 1.00 0.92 H new ATOM 469 N HIS A2078 -10.729 9.727 -5.614 1.00 1.15 N ATOM 470 CA HIS A2078 -9.929 10.632 -4.798 1.00 1.82 C ATOM 471 C HIS A2078 -8.528 10.813 -5.356 1.00 1.20 C ATOM 472 O HIS A2078 -7.910 9.863 -5.818 1.00 1.46 O ATOM 473 CB HIS A2078 -9.848 10.088 -3.367 1.00 2.98 C ATOM 474 CG HIS A2078 -9.527 11.121 -2.333 1.00 4.08 C ATOM 475 ND1 HIS A2078 -10.491 11.873 -1.698 1.00 5.04 N ATOM 476 CD2 HIS A2078 -8.344 11.513 -1.811 1.00 4.50 C ATOM 477 CE1 HIS A2078 -9.913 12.683 -0.833 1.00 5.96 C ATOM 478 NE2 HIS A2078 -8.611 12.484 -0.879 1.00 5.67 N ATOM 0 H HIS A2078 -10.199 9.110 -6.230 1.00 1.15 H new ATOM 0 HA HIS A2078 -10.415 11.608 -4.805 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -10.800 9.621 -3.114 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -9.089 9.306 -3.330 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -7.369 11.133 -2.078 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -10.421 13.390 -0.194 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -7.916 12.972 -0.314 1.00 5.67 H new ATOM 487 N THR A2079 -8.041 12.045 -5.311 1.00 1.12 N ATOM 488 CA THR A2079 -6.659 12.335 -5.648 1.00 0.78 C ATOM 489 C THR A2079 -5.738 11.719 -4.597 1.00 0.67 C ATOM 490 O THR A2079 -5.836 12.040 -3.412 1.00 0.86 O ATOM 491 CB THR A2079 -6.415 13.855 -5.715 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.322 14.446 -6.655 1.00 1.52 O ATOM 493 CG2 THR A2079 -4.983 14.168 -6.115 1.00 1.42 C ATOM 0 H THR A2079 -8.588 12.863 -5.042 1.00 1.12 H new ATOM 0 HA THR A2079 -6.446 11.907 -6.628 1.00 0.78 H new ATOM 0 HB THR A2079 -6.587 14.272 -4.723 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.167 15.413 -6.696 1.00 1.52 H new ATOM 0 HG21 THR A2079 -4.844 15.248 -6.153 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.299 13.740 -5.383 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.778 13.741 -7.097 1.00 1.42 H new ATOM 501 N PRO A2080 -4.840 10.819 -5.027 1.00 0.48 N ATOM 502 CA PRO A2080 -3.948 10.072 -4.127 1.00 0.48 C ATOM 503 C PRO A2080 -3.124 10.982 -3.224 1.00 0.69 C ATOM 504 O PRO A2080 -2.768 10.613 -2.106 1.00 0.70 O ATOM 505 CB PRO A2080 -3.027 9.323 -5.089 1.00 0.56 C ATOM 506 CG PRO A2080 -3.817 9.191 -6.342 1.00 0.56 C ATOM 507 CD PRO A2080 -4.626 10.446 -6.440 1.00 0.50 C ATOM 0 HA PRO A2080 -4.509 9.429 -3.449 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.102 9.873 -5.260 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.749 8.347 -4.692 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.164 9.077 -7.207 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.460 8.311 -6.310 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -4.096 11.226 -6.987 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.569 10.278 -6.960 1.00 0.50 H new ATOM 515 N GLU A2081 -2.841 12.177 -3.719 1.00 0.93 N ATOM 516 CA GLU A2081 -2.054 13.159 -2.983 1.00 1.22 C ATOM 517 C GLU A2081 -2.800 13.631 -1.740 1.00 1.21 C ATOM 518 O GLU A2081 -2.197 14.105 -0.780 1.00 1.32 O ATOM 519 CB GLU A2081 -1.766 14.362 -3.878 1.00 1.52 C ATOM 520 CG GLU A2081 -1.305 13.984 -5.268 1.00 2.12 C ATOM 521 CD GLU A2081 -0.860 15.182 -6.076 1.00 2.46 C ATOM 522 OE1 GLU A2081 0.279 15.650 -5.875 1.00 2.53 O ATOM 523 OE2 GLU A2081 -1.646 15.668 -6.915 1.00 2.96 O ATOM 0 H GLU A2081 -3.148 12.494 -4.638 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.120 12.688 -2.677 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -2.667 14.971 -3.956 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -1.003 14.981 -3.407 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -0.482 13.274 -5.194 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -2.116 13.478 -5.791 1.00 2.12 H new ATOM 530 N SER A2082 -4.112 13.484 -1.767 1.00 1.13 N ATOM 531 CA SER A2082 -4.962 14.022 -0.728 1.00 1.23 C ATOM 532 C SER A2082 -5.578 12.902 0.125 1.00 0.99 C ATOM 533 O SER A2082 -6.572 13.109 0.820 1.00 1.06 O ATOM 534 CB SER A2082 -6.044 14.891 -1.387 1.00 1.44 C ATOM 535 OG SER A2082 -6.906 15.489 -0.434 1.00 1.70 O ATOM 0 H SER A2082 -4.613 12.991 -2.506 1.00 1.13 H new ATOM 0 HA SER A2082 -4.369 14.635 -0.049 1.00 1.23 H new ATOM 0 HB2 SER A2082 -5.568 15.670 -1.983 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.631 14.279 -2.072 1.00 1.44 H new ATOM 0 HG SER A2082 -7.182 14.817 0.224 1.00 1.70 H new ATOM 541 N ILE A2083 -5.002 11.708 0.058 1.00 0.76 N ATOM 542 CA ILE A2083 -5.465 10.603 0.880 1.00 0.55 C ATOM 543 C ILE A2083 -4.769 10.622 2.237 1.00 0.43 C ATOM 544 O ILE A2083 -3.544 10.522 2.321 1.00 0.46 O ATOM 545 CB ILE A2083 -5.243 9.251 0.174 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.064 9.214 -1.119 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.601 8.093 1.093 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.271 7.836 -1.701 1.00 0.47 C ATOM 0 H ILE A2083 -4.218 11.483 -0.554 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.537 10.725 1.036 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.188 9.145 -0.078 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.039 9.661 -0.926 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -5.569 9.837 -1.864 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.436 7.150 0.572 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -4.975 8.129 1.985 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.649 8.169 1.382 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -6.863 7.911 -2.613 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.304 7.389 -1.931 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.796 7.211 -0.979 1.00 0.47 H new ATOM 560 N SER A2084 -5.562 10.773 3.289 1.00 0.38 N ATOM 561 CA SER A2084 -5.039 10.878 4.642 1.00 0.32 C ATOM 562 C SER A2084 -4.591 9.522 5.179 1.00 0.29 C ATOM 563 O SER A2084 -5.310 8.526 5.082 1.00 0.31 O ATOM 564 CB SER A2084 -6.098 11.476 5.564 1.00 0.36 C ATOM 565 OG SER A2084 -6.523 12.746 5.100 1.00 0.42 O ATOM 0 H SER A2084 -6.579 10.826 3.229 1.00 0.38 H new ATOM 0 HA SER A2084 -4.167 11.531 4.612 1.00 0.32 H new ATOM 0 HB2 SER A2084 -6.953 10.803 5.624 1.00 0.36 H new ATOM 0 HB3 SER A2084 -5.695 11.570 6.572 1.00 0.36 H new ATOM 0 HG SER A2084 -7.202 13.106 5.708 1.00 0.42 H new ATOM 571 N PRO A2085 -3.384 9.484 5.762 1.00 0.29 N ATOM 572 CA PRO A2085 -2.792 8.265 6.328 1.00 0.28 C ATOM 573 C PRO A2085 -3.493 7.792 7.597 1.00 0.28 C ATOM 574 O PRO A2085 -3.536 6.593 7.880 1.00 0.33 O ATOM 575 CB PRO A2085 -1.365 8.694 6.658 1.00 0.32 C ATOM 576 CG PRO A2085 -1.463 10.160 6.881 1.00 0.36 C ATOM 577 CD PRO A2085 -2.482 10.643 5.898 1.00 0.36 C ATOM 0 HA PRO A2085 -2.868 7.427 5.635 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -0.991 8.181 7.544 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.681 8.461 5.842 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -1.767 10.383 7.904 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.501 10.647 6.721 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.009 11.525 6.263 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.027 10.915 4.945 1.00 0.36 H new ATOM 585 N ALA A2086 -4.026 8.741 8.361 1.00 0.30 N ATOM 586 CA ALA A2086 -4.691 8.433 9.622 1.00 0.36 C ATOM 587 C ALA A2086 -6.067 7.816 9.395 1.00 0.30 C ATOM 588 O ALA A2086 -6.670 7.263 10.319 1.00 0.28 O ATOM 589 CB ALA A2086 -4.812 9.686 10.475 1.00 0.47 C ATOM 0 H ALA A2086 -4.010 9.734 8.127 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.080 7.700 10.148 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.310 9.441 11.413 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.818 10.081 10.685 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.395 10.436 9.940 1.00 0.47 H new ATOM 595 N THR A2087 -6.561 7.914 8.171 1.00 0.32 N ATOM 596 CA THR A2087 -7.857 7.362 7.833 1.00 0.28 C ATOM 597 C THR A2087 -7.761 5.859 7.615 1.00 0.24 C ATOM 598 O THR A2087 -6.694 5.323 7.325 1.00 0.28 O ATOM 599 CB THR A2087 -8.428 8.025 6.568 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.270 9.446 6.656 1.00 0.39 O ATOM 601 CG2 THR A2087 -9.904 7.693 6.382 1.00 0.34 C ATOM 0 H THR A2087 -6.081 8.372 7.396 1.00 0.32 H new ATOM 0 HA THR A2087 -8.527 7.562 8.669 1.00 0.28 H new ATOM 0 HB THR A2087 -7.879 7.638 5.709 1.00 0.32 H new ATOM 0 HG1 THR A2087 -8.892 9.883 6.037 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.275 8.178 5.479 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.025 6.614 6.291 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.469 8.050 7.243 1.00 0.34 H new ATOM 609 N ALA A2088 -8.888 5.198 7.755 1.00 0.23 N ATOM 610 CA ALA A2088 -8.976 3.765 7.571 1.00 0.25 C ATOM 611 C ALA A2088 -9.535 3.464 6.194 1.00 0.22 C ATOM 612 O ALA A2088 -10.352 4.224 5.678 1.00 0.25 O ATOM 613 CB ALA A2088 -9.874 3.165 8.641 1.00 0.32 C ATOM 0 H ALA A2088 -9.774 5.640 8.001 1.00 0.23 H new ATOM 0 HA ALA A2088 -7.982 3.326 7.656 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.938 2.086 8.499 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.458 3.378 9.626 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.870 3.600 8.566 1.00 0.32 H new ATOM 619 N PHE A2089 -9.104 2.356 5.599 1.00 0.21 N ATOM 620 CA PHE A2089 -9.630 1.941 4.304 1.00 0.20 C ATOM 621 C PHE A2089 -11.119 1.661 4.412 1.00 0.24 C ATOM 622 O PHE A2089 -11.859 1.791 3.440 1.00 0.26 O ATOM 623 CB PHE A2089 -8.887 0.720 3.764 1.00 0.21 C ATOM 624 CG PHE A2089 -7.562 1.057 3.152 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.434 2.129 2.281 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.444 0.310 3.455 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.210 2.446 1.731 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.220 0.618 2.905 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.103 1.690 2.044 1.00 0.34 C ATOM 0 H PHE A2089 -8.397 1.733 5.990 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.475 2.756 3.597 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.734 0.008 4.575 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.509 0.225 3.018 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.302 2.721 2.031 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.529 -0.527 4.132 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.120 3.285 1.057 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.353 0.022 3.147 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.143 1.936 1.616 1.00 0.34 H new ATOM 639 N LYS A2090 -11.538 1.286 5.613 1.00 0.30 N ATOM 640 CA LYS A2090 -12.946 1.158 5.946 1.00 0.40 C ATOM 641 C LYS A2090 -13.684 2.435 5.564 1.00 0.37 C ATOM 642 O LYS A2090 -14.670 2.414 4.829 1.00 0.47 O ATOM 643 CB LYS A2090 -13.080 0.932 7.453 1.00 0.55 C ATOM 644 CG LYS A2090 -14.188 -0.025 7.845 1.00 1.19 C ATOM 645 CD LYS A2090 -15.572 0.569 7.624 1.00 1.79 C ATOM 646 CE LYS A2090 -15.786 1.815 8.472 1.00 2.14 C ATOM 647 NZ LYS A2090 -17.190 2.298 8.413 1.00 2.91 N ATOM 0 H LYS A2090 -10.908 1.062 6.384 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.375 0.317 5.401 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.134 0.550 7.837 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.257 1.892 7.938 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -14.093 -0.944 7.266 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.075 -0.297 8.895 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.698 0.819 6.570 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -16.331 -0.174 7.869 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -15.521 1.598 9.507 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -15.117 2.605 8.130 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -17.290 3.147 9.005 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -17.436 2.530 7.430 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -17.828 1.555 8.764 1.00 2.91 H new ATOM 661 N ASP A2091 -13.176 3.544 6.074 1.00 0.33 N ATOM 662 CA ASP A2091 -13.764 4.856 5.844 1.00 0.35 C ATOM 663 C ASP A2091 -13.575 5.307 4.402 1.00 0.33 C ATOM 664 O ASP A2091 -14.485 5.873 3.797 1.00 0.39 O ATOM 665 CB ASP A2091 -13.137 5.882 6.788 1.00 0.38 C ATOM 666 CG ASP A2091 -13.491 5.633 8.236 1.00 1.03 C ATOM 667 OD1 ASP A2091 -12.690 4.987 8.941 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.573 6.074 8.675 1.00 1.04 O ATOM 0 H ASP A2091 -12.342 3.562 6.661 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.834 4.780 6.040 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -12.053 5.860 6.674 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -13.467 6.881 6.504 1.00 0.38 H new ATOM 673 N LEU A2092 -12.392 5.053 3.855 1.00 0.30 N ATOM 674 CA LEU A2092 -12.048 5.502 2.514 1.00 0.32 C ATOM 675 C LEU A2092 -12.883 4.813 1.433 1.00 0.30 C ATOM 676 O LEU A2092 -12.992 5.325 0.319 1.00 0.36 O ATOM 677 CB LEU A2092 -10.558 5.279 2.281 1.00 0.34 C ATOM 678 CG LEU A2092 -9.654 6.104 3.201 1.00 0.35 C ATOM 679 CD1 LEU A2092 -8.293 5.454 3.346 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.509 7.525 2.676 1.00 0.61 C ATOM 0 H LEU A2092 -11.650 4.534 4.325 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.277 6.565 2.441 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.333 4.222 2.420 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.322 5.521 1.245 1.00 0.34 H new ATOM 0 HG LEU A2092 -10.121 6.143 4.185 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -7.669 6.059 4.004 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -8.409 4.457 3.771 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -7.820 5.378 2.367 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.863 8.095 3.343 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.070 7.501 1.679 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -10.490 7.998 2.629 1.00 0.61 H new ATOM 692 N GLY A2093 -13.468 3.660 1.754 1.00 0.26 N ATOM 693 CA GLY A2093 -14.403 3.032 0.832 1.00 0.26 C ATOM 694 C GLY A2093 -13.989 1.640 0.392 1.00 0.22 C ATOM 695 O GLY A2093 -14.576 1.080 -0.532 1.00 0.27 O ATOM 0 H GLY A2093 -13.314 3.154 2.626 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.383 2.977 1.305 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.510 3.665 -0.049 1.00 0.26 H new ATOM 699 N ILE A2094 -12.986 1.081 1.044 1.00 0.22 N ATOM 700 CA ILE A2094 -12.484 -0.239 0.691 1.00 0.19 C ATOM 701 C ILE A2094 -13.436 -1.339 1.137 1.00 0.18 C ATOM 702 O ILE A2094 -13.775 -1.451 2.318 1.00 0.22 O ATOM 703 CB ILE A2094 -11.090 -0.479 1.310 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.053 0.412 0.627 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.677 -1.945 1.228 1.00 0.21 C ATOM 706 CD1 ILE A2094 -9.951 0.191 -0.862 1.00 0.28 C ATOM 0 H ILE A2094 -12.499 1.521 1.825 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.405 -0.272 -0.396 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.144 -0.218 2.367 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.304 1.456 0.814 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.078 0.233 1.080 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.691 -2.071 1.674 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.400 -2.557 1.767 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.645 -2.256 0.184 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.196 0.858 -1.278 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.669 -0.844 -1.058 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.914 0.399 -1.328 1.00 0.28 H new ATOM 718 N ASP A2095 -13.879 -2.140 0.179 1.00 0.19 N ATOM 719 CA ASP A2095 -14.687 -3.310 0.473 1.00 0.26 C ATOM 720 C ASP A2095 -13.835 -4.554 0.298 1.00 0.21 C ATOM 721 O ASP A2095 -12.617 -4.459 0.218 1.00 0.23 O ATOM 722 CB ASP A2095 -15.910 -3.395 -0.441 1.00 0.40 C ATOM 723 CG ASP A2095 -16.823 -2.189 -0.335 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.387 -1.955 0.753 1.00 0.94 O ATOM 725 OD2 ASP A2095 -16.997 -1.478 -1.349 1.00 1.07 O ATOM 0 H ASP A2095 -13.690 -1.998 -0.813 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.044 -3.232 1.500 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.577 -3.500 -1.473 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.476 -4.293 -0.196 1.00 0.40 H new ATOM 730 N SER A2096 -14.461 -5.713 0.207 1.00 0.30 N ATOM 731 CA SER A2096 -13.709 -6.955 0.121 1.00 0.35 C ATOM 732 C SER A2096 -13.091 -7.138 -1.258 1.00 0.30 C ATOM 733 O SER A2096 -11.963 -7.615 -1.394 1.00 0.38 O ATOM 734 CB SER A2096 -14.606 -8.147 0.456 1.00 0.51 C ATOM 735 OG SER A2096 -15.953 -7.855 0.041 1.00 0.85 O ATOM 0 H SER A2096 -15.475 -5.822 0.191 1.00 0.30 H new ATOM 0 HA SER A2096 -12.900 -6.902 0.849 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.244 -9.043 -0.047 1.00 0.51 H new ATOM 0 HB3 SER A2096 -14.578 -8.349 1.527 1.00 0.51 H new ATOM 740 N LEU A2097 -13.832 -6.733 -2.268 1.00 0.29 N ATOM 741 CA LEU A2097 -13.416 -6.904 -3.649 1.00 0.35 C ATOM 742 C LEU A2097 -12.308 -5.928 -4.000 1.00 0.26 C ATOM 743 O LEU A2097 -11.348 -6.268 -4.680 1.00 0.35 O ATOM 744 CB LEU A2097 -14.599 -6.707 -4.597 1.00 0.50 C ATOM 745 CG LEU A2097 -15.929 -6.387 -3.924 1.00 1.06 C ATOM 746 CD1 LEU A2097 -16.007 -4.912 -3.563 1.00 1.39 C ATOM 747 CD2 LEU A2097 -17.087 -6.778 -4.822 1.00 1.65 C ATOM 0 H LEU A2097 -14.738 -6.277 -2.158 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.039 -7.920 -3.763 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.358 -5.900 -5.289 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.721 -7.612 -5.192 1.00 0.50 H new ATOM 0 HG LEU A2097 -15.996 -6.968 -3.004 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -16.964 -4.705 -3.084 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -15.197 -4.662 -2.878 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -15.916 -4.311 -4.468 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -18.028 -6.542 -4.325 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -17.023 -6.226 -5.759 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -17.043 -7.848 -5.027 1.00 1.65 H new ATOM 759 N THR A2098 -12.444 -4.708 -3.524 1.00 0.19 N ATOM 760 CA THR A2098 -11.451 -3.685 -3.784 1.00 0.16 C ATOM 761 C THR A2098 -10.247 -3.805 -2.859 1.00 0.15 C ATOM 762 O THR A2098 -9.190 -3.229 -3.125 1.00 0.19 O ATOM 763 CB THR A2098 -12.076 -2.294 -3.692 1.00 0.21 C ATOM 764 OG1 THR A2098 -13.098 -2.279 -2.683 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.662 -1.917 -5.042 1.00 0.27 C ATOM 0 H THR A2098 -13.232 -4.400 -2.955 1.00 0.19 H new ATOM 0 HA THR A2098 -11.087 -3.836 -4.800 1.00 0.16 H new ATOM 0 HB THR A2098 -11.310 -1.568 -3.418 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.459 -1.372 -2.596 1.00 0.26 H new ATOM 0 HG21 THR A2098 -13.109 -0.925 -4.980 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.872 -1.913 -5.793 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.426 -2.642 -5.322 1.00 0.27 H new ATOM 773 N ALA A2099 -10.398 -4.574 -1.789 1.00 0.15 N ATOM 774 CA ALA A2099 -9.283 -4.870 -0.903 1.00 0.19 C ATOM 775 C ALA A2099 -8.188 -5.607 -1.663 1.00 0.22 C ATOM 776 O ALA A2099 -7.006 -5.283 -1.546 1.00 0.29 O ATOM 777 CB ALA A2099 -9.748 -5.697 0.284 1.00 0.21 C ATOM 0 H ALA A2099 -11.282 -5.003 -1.515 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.879 -3.929 -0.530 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.900 -5.908 0.935 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.503 -5.142 0.841 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.175 -6.635 -0.071 1.00 0.21 H new ATOM 783 N LEU A2100 -8.586 -6.586 -2.465 1.00 0.22 N ATOM 784 CA LEU A2100 -7.622 -7.357 -3.225 1.00 0.27 C ATOM 785 C LEU A2100 -7.015 -6.496 -4.323 1.00 0.26 C ATOM 786 O LEU A2100 -5.815 -6.548 -4.561 1.00 0.29 O ATOM 787 CB LEU A2100 -8.250 -8.649 -3.786 1.00 0.31 C ATOM 788 CG LEU A2100 -9.523 -8.492 -4.625 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.194 -8.263 -6.094 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.415 -9.711 -4.462 1.00 0.40 C ATOM 0 H LEU A2100 -9.559 -6.860 -2.603 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.819 -7.667 -2.556 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.501 -9.153 -4.397 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.475 -9.309 -2.948 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.058 -7.614 -4.264 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.118 -8.156 -6.661 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.598 -7.356 -6.196 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.630 -9.113 -6.477 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.315 -9.586 -5.063 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -9.879 -10.601 -4.792 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.691 -9.822 -3.413 1.00 0.40 H new ATOM 802 N GLU A2101 -7.847 -5.672 -4.947 1.00 0.24 N ATOM 803 CA GLU A2101 -7.408 -4.784 -6.016 1.00 0.26 C ATOM 804 C GLU A2101 -6.327 -3.825 -5.537 1.00 0.24 C ATOM 805 O GLU A2101 -5.360 -3.564 -6.250 1.00 0.27 O ATOM 806 CB GLU A2101 -8.607 -4.002 -6.534 1.00 0.29 C ATOM 807 CG GLU A2101 -9.702 -4.886 -7.084 1.00 0.35 C ATOM 808 CD GLU A2101 -9.403 -5.381 -8.482 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.176 -5.053 -9.406 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.388 -6.084 -8.672 1.00 0.56 O ATOM 0 H GLU A2101 -8.841 -5.600 -4.728 1.00 0.24 H new ATOM 0 HA GLU A2101 -6.980 -5.388 -6.816 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.012 -3.393 -5.726 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.276 -3.317 -7.314 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.841 -5.741 -6.422 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.641 -4.333 -7.092 1.00 0.35 H new ATOM 817 N LEU A2102 -6.495 -3.303 -4.330 1.00 0.21 N ATOM 818 CA LEU A2102 -5.532 -2.381 -3.760 1.00 0.22 C ATOM 819 C LEU A2102 -4.171 -3.043 -3.636 1.00 0.24 C ATOM 820 O LEU A2102 -3.170 -2.528 -4.140 1.00 0.27 O ATOM 821 CB LEU A2102 -6.006 -1.931 -2.391 1.00 0.24 C ATOM 822 CG LEU A2102 -5.606 -0.516 -1.982 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.172 -0.230 -0.625 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.099 -0.324 -1.970 1.00 0.57 C ATOM 0 H LEU A2102 -7.293 -3.505 -3.728 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.442 -1.517 -4.419 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.093 -2.004 -2.362 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.620 -2.627 -1.647 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.008 0.180 -2.719 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.894 0.779 -0.320 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.258 -0.312 -0.659 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.776 -0.948 0.093 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.865 0.698 -1.673 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.649 -1.020 -1.262 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.700 -0.513 -2.967 1.00 0.57 H new ATOM 836 N ARG A2103 -4.135 -4.192 -2.965 1.00 0.26 N ATOM 837 CA ARG A2103 -2.880 -4.891 -2.768 1.00 0.34 C ATOM 838 C ARG A2103 -2.320 -5.327 -4.121 1.00 0.35 C ATOM 839 O ARG A2103 -1.113 -5.336 -4.314 1.00 0.43 O ATOM 840 CB ARG A2103 -3.031 -6.085 -1.818 1.00 0.48 C ATOM 841 CG ARG A2103 -3.665 -7.302 -2.449 1.00 0.94 C ATOM 842 CD ARG A2103 -3.705 -8.477 -1.486 1.00 0.77 C ATOM 843 NE ARG A2103 -4.230 -9.674 -2.139 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.475 -10.132 -1.993 1.00 1.48 C ATOM 845 NH1 ARG A2103 -6.329 -9.513 -1.188 1.00 2.43 N ATOM 846 NH2 ARG A2103 -5.860 -11.215 -2.653 1.00 1.60 N ATOM 0 H ARG A2103 -4.950 -4.649 -2.556 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.177 -4.206 -2.295 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -2.047 -6.358 -1.437 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -3.631 -5.779 -0.961 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -4.678 -7.060 -2.770 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -3.106 -7.582 -3.342 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -2.702 -8.675 -1.108 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -4.326 -8.226 -0.626 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.601 -10.196 -2.749 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -6.036 -8.681 -0.676 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -7.279 -9.869 -1.082 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.205 -11.696 -3.270 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.811 -11.568 -2.544 1.00 1.60 H new ATOM 860 N ASN A2104 -3.209 -5.654 -5.064 1.00 0.33 N ATOM 861 CA ASN A2104 -2.802 -5.970 -6.430 1.00 0.38 C ATOM 862 C ASN A2104 -1.979 -4.824 -7.008 1.00 0.39 C ATOM 863 O ASN A2104 -0.859 -5.022 -7.485 1.00 0.48 O ATOM 864 CB ASN A2104 -4.028 -6.211 -7.326 1.00 0.39 C ATOM 865 CG ASN A2104 -4.730 -7.533 -7.077 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.125 -8.511 -6.629 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.020 -7.576 -7.390 1.00 0.44 N ATOM 0 H ASN A2104 -4.215 -5.706 -4.903 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.201 -6.879 -6.401 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.740 -5.400 -7.174 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.715 -6.169 -8.369 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.547 -8.440 -7.263 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.484 -6.745 -7.758 1.00 0.44 H new ATOM 874 N THR A2105 -2.535 -3.620 -6.926 1.00 0.33 N ATOM 875 CA THR A2105 -1.902 -2.434 -7.480 1.00 0.39 C ATOM 876 C THR A2105 -0.536 -2.176 -6.845 1.00 0.42 C ATOM 877 O THR A2105 0.467 -2.029 -7.552 1.00 0.51 O ATOM 878 CB THR A2105 -2.792 -1.189 -7.291 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.115 -1.460 -7.771 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.219 0.006 -8.038 1.00 0.51 C ATOM 0 H THR A2105 -3.433 -3.442 -6.476 1.00 0.33 H new ATOM 0 HA THR A2105 -1.764 -2.620 -8.545 1.00 0.39 H new ATOM 0 HB THR A2105 -2.826 -0.952 -6.228 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.573 -2.061 -7.147 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.864 0.872 -7.889 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.221 0.228 -7.659 1.00 0.51 H new ATOM 0 HG23 THR A2105 -2.160 -0.224 -9.102 1.00 0.51 H new ATOM 888 N LEU A2106 -0.485 -2.145 -5.518 1.00 0.42 N ATOM 889 CA LEU A2106 0.756 -1.820 -4.828 1.00 0.55 C ATOM 890 C LEU A2106 1.772 -2.965 -4.907 1.00 0.54 C ATOM 891 O LEU A2106 2.975 -2.733 -4.783 1.00 0.56 O ATOM 892 CB LEU A2106 0.491 -1.374 -3.377 1.00 0.74 C ATOM 893 CG LEU A2106 -0.471 -2.231 -2.551 1.00 0.44 C ATOM 894 CD1 LEU A2106 0.218 -3.486 -2.044 1.00 1.13 C ATOM 895 CD2 LEU A2106 -1.023 -1.422 -1.388 1.00 0.81 C ATOM 0 H LEU A2106 -1.278 -2.338 -4.906 1.00 0.42 H new ATOM 0 HA LEU A2106 1.205 -0.973 -5.346 1.00 0.55 H new ATOM 0 HB2 LEU A2106 1.447 -1.338 -2.854 1.00 0.74 H new ATOM 0 HB3 LEU A2106 0.102 -0.356 -3.401 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.297 -2.536 -3.193 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -0.487 -4.078 -1.460 1.00 1.13 H new ATOM 0 HD12 LEU A2106 0.571 -4.074 -2.891 1.00 1.13 H new ATOM 0 HD13 LEU A2106 1.065 -3.208 -1.417 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.706 -2.041 -0.806 1.00 0.81 H new ATOM 0 HD22 LEU A2106 -0.202 -1.092 -0.752 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -1.557 -0.552 -1.771 1.00 0.81 H new ATOM 907 N THR A2107 1.300 -4.188 -5.139 1.00 0.56 N ATOM 908 CA THR A2107 2.198 -5.313 -5.367 1.00 0.62 C ATOM 909 C THR A2107 2.831 -5.208 -6.754 1.00 0.60 C ATOM 910 O THR A2107 4.028 -5.437 -6.921 1.00 0.64 O ATOM 911 CB THR A2107 1.466 -6.666 -5.227 1.00 0.69 C ATOM 912 OG1 THR A2107 0.933 -6.800 -3.906 1.00 0.73 O ATOM 913 CG2 THR A2107 2.398 -7.831 -5.509 1.00 0.81 C ATOM 0 H THR A2107 0.308 -4.422 -5.174 1.00 0.56 H new ATOM 0 HA THR A2107 2.977 -5.272 -4.606 1.00 0.62 H new ATOM 0 HB THR A2107 0.658 -6.683 -5.958 1.00 0.69 H new ATOM 0 HG1 THR A2107 0.320 -6.058 -3.724 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.852 -8.768 -5.402 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.784 -7.750 -6.525 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.228 -7.812 -4.803 1.00 0.81 H new ATOM 921 N HIS A2108 2.023 -4.832 -7.744 1.00 0.58 N ATOM 922 CA HIS A2108 2.525 -4.637 -9.103 1.00 0.62 C ATOM 923 C HIS A2108 3.558 -3.515 -9.136 1.00 0.60 C ATOM 924 O HIS A2108 4.501 -3.552 -9.924 1.00 0.68 O ATOM 925 CB HIS A2108 1.387 -4.317 -10.080 1.00 0.68 C ATOM 926 CG HIS A2108 0.460 -5.465 -10.353 1.00 1.20 C ATOM 927 ND1 HIS A2108 0.891 -6.764 -10.518 1.00 1.74 N ATOM 928 CD2 HIS A2108 -0.886 -5.499 -10.494 1.00 2.24 C ATOM 929 CE1 HIS A2108 -0.149 -7.544 -10.750 1.00 2.48 C ATOM 930 NE2 HIS A2108 -1.239 -6.802 -10.740 1.00 2.81 N ATOM 0 H HIS A2108 1.024 -4.657 -7.632 1.00 0.58 H new ATOM 0 HA HIS A2108 2.995 -5.570 -9.415 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.807 -3.485 -9.682 1.00 0.68 H new ATOM 0 HB3 HIS A2108 1.818 -3.982 -11.023 1.00 0.68 H new ATOM 0 HD2 HIS A2108 -1.558 -4.656 -10.426 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -0.113 -8.610 -10.919 1.00 2.48 H new ATOM 0 HE2 HIS A2108 -2.189 -7.141 -10.891 1.00 2.81 H new ATOM 939 N ASN A2109 3.374 -2.523 -8.274 1.00 0.57 N ATOM 940 CA ASN A2109 4.307 -1.405 -8.184 1.00 0.64 C ATOM 941 C ASN A2109 5.623 -1.847 -7.561 1.00 0.66 C ATOM 942 O ASN A2109 6.696 -1.587 -8.101 1.00 0.85 O ATOM 943 CB ASN A2109 3.715 -0.272 -7.343 1.00 0.82 C ATOM 944 CG ASN A2109 4.655 0.916 -7.232 1.00 1.61 C ATOM 945 OD1 ASN A2109 5.510 0.909 -6.220 1.00 1.85 O flip ATOM 946 ND2 ASN A2109 4.613 1.833 -8.050 1.00 2.60 N flip ATOM 0 H ASN A2109 2.587 -2.469 -7.627 1.00 0.57 H new ATOM 0 HA ASN A2109 4.489 -1.048 -9.197 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.774 0.053 -7.786 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.485 -0.645 -6.345 1.00 0.82 H new ATOM 0 HD21 ASN A2109 3.940 1.803 -8.816 1.00 2.60 H new ATOM 0 HD22 ASN A2109 5.251 2.624 -7.962 1.00 2.60 H new ATOM 953 N THR A2110 5.527 -2.521 -6.426 1.00 0.65 N ATOM 954 CA THR A2110 6.701 -2.908 -5.665 1.00 0.78 C ATOM 955 C THR A2110 7.499 -3.998 -6.376 1.00 0.81 C ATOM 956 O THR A2110 8.731 -3.991 -6.362 1.00 1.02 O ATOM 957 CB THR A2110 6.305 -3.372 -4.252 1.00 0.83 C ATOM 958 OG1 THR A2110 5.207 -4.288 -4.330 1.00 0.72 O ATOM 959 CG2 THR A2110 5.917 -2.182 -3.387 1.00 1.03 C ATOM 0 H THR A2110 4.642 -2.812 -6.011 1.00 0.65 H new ATOM 0 HA THR A2110 7.339 -2.028 -5.581 1.00 0.78 H new ATOM 0 HB THR A2110 7.162 -3.870 -3.799 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.364 -3.788 -4.346 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.640 -2.530 -2.392 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.762 -1.497 -3.310 1.00 1.03 H new ATOM 0 HG23 THR A2110 5.071 -1.664 -3.839 1.00 1.03 H new ATOM 967 N GLY A2111 6.793 -4.932 -6.997 1.00 0.72 N ATOM 968 CA GLY A2111 7.449 -5.962 -7.779 1.00 0.86 C ATOM 969 C GLY A2111 7.566 -7.270 -7.030 1.00 0.88 C ATOM 970 O GLY A2111 7.583 -8.341 -7.635 1.00 1.05 O ATOM 0 H GLY A2111 5.775 -4.996 -6.974 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.892 -6.124 -8.702 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.444 -5.620 -8.064 1.00 0.86 H new ATOM 974 N LEU A2112 7.649 -7.181 -5.711 1.00 0.84 N ATOM 975 CA LEU A2112 7.770 -8.361 -4.864 1.00 0.92 C ATOM 976 C LEU A2112 6.408 -9.003 -4.618 1.00 0.80 C ATOM 977 O LEU A2112 5.408 -8.606 -5.213 1.00 0.97 O ATOM 978 CB LEU A2112 8.470 -8.000 -3.543 1.00 1.21 C ATOM 979 CG LEU A2112 8.070 -6.665 -2.898 1.00 1.05 C ATOM 980 CD1 LEU A2112 6.630 -6.688 -2.411 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.009 -6.341 -1.749 1.00 1.34 C ATOM 0 H LEU A2112 7.635 -6.298 -5.200 1.00 0.84 H new ATOM 0 HA LEU A2112 8.385 -9.097 -5.382 1.00 0.92 H new ATOM 0 HB2 LEU A2112 8.276 -8.797 -2.825 1.00 1.21 H new ATOM 0 HB3 LEU A2112 9.545 -7.985 -3.720 1.00 1.21 H new ATOM 0 HG LEU A2112 8.149 -5.888 -3.658 1.00 1.05 H new ATOM 0 HD11 LEU A2112 6.383 -5.727 -1.961 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.964 -6.876 -3.253 1.00 1.45 H new ATOM 0 HD13 LEU A2112 6.509 -7.478 -1.670 1.00 1.45 H new ATOM 0 HD21 LEU A2112 8.718 -5.393 -1.298 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.954 -7.131 -1.000 1.00 1.34 H new ATOM 0 HD23 LEU A2112 10.030 -6.266 -2.123 1.00 1.34 H new ATOM 993 N ASP A2113 6.381 -9.999 -3.748 1.00 0.77 N ATOM 994 CA ASP A2113 5.175 -10.785 -3.526 1.00 0.77 C ATOM 995 C ASP A2113 4.513 -10.427 -2.206 1.00 0.92 C ATOM 996 O ASP A2113 5.171 -10.367 -1.166 1.00 1.14 O ATOM 997 CB ASP A2113 5.514 -12.272 -3.560 1.00 0.83 C ATOM 998 CG ASP A2113 4.305 -13.152 -3.309 1.00 0.91 C ATOM 999 OD1 ASP A2113 4.261 -13.823 -2.259 1.00 0.90 O ATOM 1000 OD2 ASP A2113 3.380 -13.162 -4.154 1.00 1.18 O ATOM 0 H ASP A2113 7.181 -10.284 -3.182 1.00 0.77 H new ATOM 0 HA ASP A2113 4.469 -10.556 -4.324 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.944 -12.521 -4.530 1.00 0.83 H new ATOM 0 HB3 ASP A2113 6.275 -12.484 -2.810 1.00 0.83 H new ATOM 1005 N LEU A2114 3.212 -10.192 -2.258 1.00 1.05 N ATOM 1006 CA LEU A2114 2.448 -9.811 -1.080 1.00 1.34 C ATOM 1007 C LEU A2114 1.279 -10.769 -0.863 1.00 1.00 C ATOM 1008 O LEU A2114 0.664 -11.237 -1.821 1.00 1.04 O ATOM 1009 CB LEU A2114 1.941 -8.378 -1.241 1.00 1.98 C ATOM 1010 CG LEU A2114 2.491 -7.371 -0.228 1.00 2.33 C ATOM 1011 CD1 LEU A2114 4.010 -7.405 -0.190 1.00 2.71 C ATOM 1012 CD2 LEU A2114 2.010 -5.975 -0.570 1.00 2.95 C ATOM 0 H LEU A2114 2.658 -10.259 -3.112 1.00 1.05 H new ATOM 0 HA LEU A2114 3.096 -9.866 -0.205 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.191 -8.032 -2.244 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.853 -8.385 -1.168 1.00 1.98 H new ATOM 0 HG LEU A2114 2.121 -7.647 0.760 1.00 2.33 H new ATOM 0 HD11 LEU A2114 4.372 -6.679 0.538 1.00 2.71 H new ATOM 0 HD12 LEU A2114 4.345 -8.403 0.095 1.00 2.71 H new ATOM 0 HD13 LEU A2114 4.404 -7.157 -1.176 1.00 2.71 H new ATOM 0 HD21 LEU A2114 2.406 -5.265 0.156 1.00 2.95 H new ATOM 0 HD22 LEU A2114 2.357 -5.705 -1.568 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.921 -5.949 -0.545 1.00 2.95 H new ATOM 1024 N PRO A2115 0.976 -11.078 0.408 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.089 -12.020 0.779 1.00 0.64 C ATOM 1026 C PRO A2115 -1.490 -11.512 0.452 1.00 0.57 C ATOM 1027 O PRO A2115 -1.745 -10.308 0.452 1.00 0.58 O ATOM 1028 CB PRO A2115 0.058 -12.145 2.296 1.00 0.76 C ATOM 1029 CG PRO A2115 0.742 -10.896 2.719 1.00 0.98 C ATOM 1030 CD PRO A2115 1.662 -10.534 1.591 1.00 1.10 C ATOM 0 HA PRO A2115 0.013 -12.955 0.229 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -0.913 -12.247 2.780 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.642 -13.025 2.565 1.00 0.76 H new ATOM 0 HG2 PRO A2115 0.022 -10.100 2.907 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.298 -11.048 3.644 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.801 -9.456 1.515 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.651 -10.974 1.721 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.425 -12.445 0.202 1.00 0.57 N ATOM 1039 CA PRO A2116 -3.834 -12.121 -0.050 1.00 0.62 C ATOM 1040 C PRO A2116 -4.543 -11.638 1.213 1.00 0.58 C ATOM 1041 O PRO A2116 -5.713 -11.260 1.186 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.425 -13.451 -0.521 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.556 -14.488 0.096 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.175 -13.899 0.135 1.00 0.63 C ATOM 0 HA PRO A2116 -3.948 -11.312 -0.772 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.461 -13.560 -0.200 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.419 -13.524 -1.609 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -3.901 -14.741 1.099 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -3.572 -15.408 -0.488 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.613 -14.250 1.000 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -1.599 -14.167 -0.750 1.00 0.63 H new ATOM 1052 N THR A2117 -3.810 -11.644 2.310 1.00 0.54 N ATOM 1053 CA THR A2117 -4.317 -11.210 3.599 1.00 0.59 C ATOM 1054 C THR A2117 -3.844 -9.795 3.888 1.00 0.50 C ATOM 1055 O THR A2117 -4.089 -9.244 4.956 1.00 0.54 O ATOM 1056 CB THR A2117 -3.847 -12.160 4.713 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.483 -12.542 4.476 1.00 0.74 O ATOM 1058 CG2 THR A2117 -4.729 -13.396 4.769 1.00 0.86 C ATOM 0 H THR A2117 -2.838 -11.953 2.332 1.00 0.54 H new ATOM 0 HA THR A2117 -5.406 -11.226 3.569 1.00 0.59 H new ATOM 0 HB THR A2117 -3.918 -11.642 5.669 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.455 -13.253 3.802 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.380 -14.056 5.563 1.00 0.86 H new ATOM 0 HG22 THR A2117 -5.759 -13.099 4.969 1.00 0.86 H new ATOM 0 HG23 THR A2117 -4.681 -13.920 3.815 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.151 -9.238 2.905 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.607 -7.886 2.957 1.00 0.45 C ATOM 1068 C LEU A2118 -3.565 -6.886 3.611 1.00 0.41 C ATOM 1069 O LEU A2118 -3.277 -6.342 4.680 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.299 -7.451 1.524 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.138 -6.484 1.345 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.555 -5.065 1.667 1.00 0.70 C ATOM 1073 CD2 LEU A2118 0.037 -6.910 2.201 1.00 0.65 C ATOM 0 H LEU A2118 -2.946 -9.722 2.031 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.708 -7.898 3.573 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.094 -8.343 0.933 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.195 -6.990 1.107 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.831 -6.508 0.299 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.705 -4.396 1.530 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.364 -4.764 1.002 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -1.896 -5.012 2.701 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.861 -6.209 2.063 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.261 -6.918 3.250 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.358 -7.909 1.907 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.707 -6.663 2.971 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.668 -5.666 3.432 1.00 0.40 C ATOM 1087 C ILE A2119 -6.518 -6.226 4.576 1.00 0.42 C ATOM 1088 O ILE A2119 -7.264 -5.507 5.232 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.566 -5.206 2.256 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.694 -4.746 1.087 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.510 -4.084 2.670 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.859 -3.525 1.395 1.00 0.33 C ATOM 0 H ILE A2119 -4.992 -7.161 2.128 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.121 -4.802 3.809 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.175 -6.057 1.950 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.034 -5.562 0.795 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.334 -4.531 0.231 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.122 -3.790 1.817 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.155 -4.431 3.477 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.929 -3.227 3.012 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.267 -3.258 0.519 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.513 -2.694 1.658 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.193 -3.741 2.230 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.370 -7.517 4.825 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.075 -8.178 5.905 1.00 0.53 C ATOM 1106 C PHE A2120 -6.365 -7.913 7.230 1.00 0.52 C ATOM 1107 O PHE A2120 -7.001 -7.673 8.258 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.137 -9.685 5.632 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.055 -10.068 4.502 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.145 -10.898 4.716 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.824 -9.594 3.222 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.983 -11.248 3.676 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.660 -9.940 2.177 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.760 -10.780 2.424 1.00 3.43 C ATOM 0 H PHE A2120 -5.760 -8.132 4.286 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.090 -7.784 5.967 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.133 -10.044 5.408 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.463 -10.195 6.539 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.341 -11.275 5.709 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.980 -8.946 3.038 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.823 -11.900 3.862 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.470 -9.569 1.181 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.426 -11.052 1.618 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.039 -7.947 7.187 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.226 -7.744 8.374 1.00 0.49 C ATOM 1126 C ASP A2121 -3.952 -6.271 8.630 1.00 0.45 C ATOM 1127 O ASP A2121 -4.047 -5.809 9.764 1.00 0.51 O ATOM 1128 CB ASP A2121 -2.895 -8.485 8.247 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.022 -9.969 8.500 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.324 -10.357 9.646 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -2.822 -10.754 7.550 1.00 2.00 O ATOM 0 H ASP A2121 -4.503 -8.115 6.335 1.00 0.48 H new ATOM 0 HA ASP A2121 -4.792 -8.141 9.217 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.490 -8.325 7.248 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.180 -8.061 8.952 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.612 -5.525 7.585 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.155 -4.148 7.775 1.00 0.37 C ATOM 1138 C HIS A2122 -3.891 -3.172 6.865 1.00 0.34 C ATOM 1139 O HIS A2122 -3.258 -2.557 6.012 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.648 -4.011 7.472 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.831 -5.250 7.699 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.360 -5.634 8.935 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.390 -6.189 6.821 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.334 -6.751 8.812 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.329 -7.108 7.540 1.00 0.63 N ATOM 0 H HIS A2122 -3.642 -5.839 6.615 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.360 -3.909 8.818 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.530 -3.704 6.433 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.242 -3.210 8.090 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.572 -6.208 5.757 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.823 -7.282 9.615 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.787 -7.934 7.155 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.214 -2.984 6.983 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.857 -1.989 6.149 1.00 0.34 C ATOM 1156 C PRO A2123 -5.691 -0.587 6.727 1.00 0.32 C ATOM 1157 O PRO A2123 -6.367 -0.201 7.681 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.325 -2.417 6.181 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.502 -3.131 7.486 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.150 -3.674 7.885 1.00 0.41 C ATOM 0 HA PRO A2123 -5.438 -1.940 5.144 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.988 -1.554 6.112 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.563 -3.069 5.341 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.884 -2.451 8.248 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.227 -3.939 7.387 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.927 -3.463 8.931 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.101 -4.756 7.761 1.00 0.41 H new ATOM 1168 N THR A2124 -4.799 0.172 6.107 1.00 0.27 N ATOM 1169 CA THR A2124 -4.595 1.589 6.387 1.00 0.23 C ATOM 1170 C THR A2124 -3.537 2.130 5.428 1.00 0.22 C ATOM 1171 O THR A2124 -2.604 1.400 5.089 1.00 0.26 O ATOM 1172 CB THR A2124 -4.155 1.868 7.844 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.913 0.644 8.546 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.206 2.673 8.586 1.00 0.29 C ATOM 0 H THR A2124 -4.182 -0.187 5.378 1.00 0.27 H new ATOM 0 HA THR A2124 -5.554 2.089 6.248 1.00 0.23 H new ATOM 0 HB THR A2124 -3.231 2.445 7.801 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.635 0.843 9.464 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.871 2.855 9.607 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.359 3.626 8.079 1.00 0.29 H new ATOM 0 HG23 THR A2124 -6.144 2.117 8.605 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.641 3.381 4.968 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.660 3.944 4.036 1.00 0.18 C ATOM 1184 C PRO A2125 -1.247 3.936 4.626 1.00 0.17 C ATOM 1185 O PRO A2125 -0.333 3.309 4.079 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.144 5.378 3.811 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.579 5.373 4.217 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.699 4.341 5.303 1.00 0.24 C ATOM 0 HA PRO A2125 -2.594 3.366 3.114 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.568 6.086 4.407 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -3.031 5.673 2.768 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.886 6.355 4.576 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.223 5.127 3.372 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.550 4.776 6.291 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.683 3.872 5.306 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.088 4.604 5.767 1.00 0.23 N ATOM 1197 CA HIS A2126 0.209 4.706 6.436 1.00 0.31 C ATOM 1198 C HIS A2126 0.719 3.340 6.887 1.00 0.29 C ATOM 1199 O HIS A2126 1.914 3.068 6.817 1.00 0.32 O ATOM 1200 CB HIS A2126 0.101 5.647 7.640 1.00 0.45 C ATOM 1201 CG HIS A2126 1.333 5.715 8.496 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.430 6.489 8.187 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.633 5.092 9.661 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.351 6.335 9.120 1.00 0.77 C ATOM 1205 NE2 HIS A2126 2.891 5.494 10.026 1.00 0.80 N ATOM 0 H HIS A2126 -1.846 5.086 6.251 1.00 0.23 H new ATOM 0 HA HIS A2126 0.925 5.109 5.719 1.00 0.31 H new ATOM 0 HB2 HIS A2126 -0.131 6.650 7.281 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.738 5.328 8.259 1.00 0.45 H new ATOM 0 HD2 HIS A2126 0.998 4.406 10.202 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.318 6.816 9.138 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.391 5.192 10.862 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.181 2.491 7.354 1.00 0.28 N ATOM 1215 CA ALA A2127 0.210 1.189 7.875 1.00 0.29 C ATOM 1216 C ALA A2127 0.754 0.288 6.771 1.00 0.26 C ATOM 1217 O ALA A2127 1.749 -0.410 6.969 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.957 0.535 8.584 1.00 0.34 C ATOM 0 H ALA A2127 -1.183 2.677 7.384 1.00 0.28 H new ATOM 0 HA ALA A2127 1.013 1.340 8.596 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.650 -0.438 8.968 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.280 1.167 9.411 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.782 0.405 7.883 1.00 0.34 H new ATOM 1224 N LEU A2128 0.109 0.299 5.609 1.00 0.22 N ATOM 1225 CA LEU A2128 0.645 -0.403 4.451 1.00 0.21 C ATOM 1226 C LEU A2128 2.005 0.160 4.073 1.00 0.21 C ATOM 1227 O LEU A2128 2.903 -0.583 3.680 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.300 -0.313 3.259 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.559 -1.165 3.369 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.309 -1.164 2.051 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.202 -2.582 3.789 1.00 0.64 C ATOM 0 H LEU A2128 -0.775 0.781 5.446 1.00 0.22 H new ATOM 0 HA LEU A2128 0.752 -1.453 4.723 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.594 0.728 3.126 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.243 -0.608 2.361 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.209 -0.738 4.132 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.206 -1.776 2.142 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.591 -0.143 1.794 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.670 -1.572 1.268 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.111 -3.179 3.864 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.537 -3.025 3.048 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.702 -2.559 4.757 1.00 0.64 H new ATOM 1243 N THR A2129 2.146 1.475 4.208 1.00 0.21 N ATOM 1244 CA THR A2129 3.423 2.141 3.989 1.00 0.24 C ATOM 1245 C THR A2129 4.513 1.490 4.828 1.00 0.25 C ATOM 1246 O THR A2129 5.616 1.232 4.352 1.00 0.33 O ATOM 1247 CB THR A2129 3.328 3.641 4.340 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.345 4.274 3.512 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.672 4.342 4.181 1.00 0.32 C ATOM 0 H THR A2129 1.386 2.103 4.470 1.00 0.21 H new ATOM 0 HA THR A2129 3.675 2.042 2.933 1.00 0.24 H new ATOM 0 HB THR A2129 3.032 3.722 5.386 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.454 3.945 3.753 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.565 5.396 4.437 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.404 3.880 4.844 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.010 4.252 3.148 1.00 0.32 H new ATOM 1257 N GLN A2130 4.171 1.191 6.066 1.00 0.25 N ATOM 1258 CA GLN A2130 5.104 0.577 6.996 1.00 0.28 C ATOM 1259 C GLN A2130 5.406 -0.847 6.565 1.00 0.23 C ATOM 1260 O GLN A2130 6.565 -1.259 6.515 1.00 0.22 O ATOM 1261 CB GLN A2130 4.534 0.566 8.418 1.00 0.38 C ATOM 1262 CG GLN A2130 3.802 1.843 8.804 1.00 0.52 C ATOM 1263 CD GLN A2130 3.283 1.814 10.227 1.00 1.39 C ATOM 1264 OE1 GLN A2130 2.158 1.382 10.483 1.00 2.22 O ATOM 1265 NE2 GLN A2130 4.096 2.278 11.160 1.00 1.90 N ATOM 0 H GLN A2130 3.245 1.365 6.456 1.00 0.25 H new ATOM 0 HA GLN A2130 6.022 1.165 6.991 1.00 0.28 H new ATOM 0 HB2 GLN A2130 3.849 -0.276 8.517 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.348 0.400 9.123 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.475 2.692 8.685 1.00 0.52 H new ATOM 0 HG3 GLN A2130 2.967 1.999 8.121 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.020 2.627 10.904 1.00 1.90 H new ATOM 0 HE22 GLN A2130 3.800 2.288 12.136 1.00 1.90 H new ATOM 1274 N HIS A2131 4.356 -1.591 6.243 1.00 0.25 N ATOM 1275 CA HIS A2131 4.501 -2.977 5.825 1.00 0.27 C ATOM 1276 C HIS A2131 5.382 -3.077 4.591 1.00 0.26 C ATOM 1277 O HIS A2131 6.376 -3.800 4.587 1.00 0.30 O ATOM 1278 CB HIS A2131 3.135 -3.605 5.536 1.00 0.32 C ATOM 1279 CG HIS A2131 3.229 -5.027 5.070 1.00 0.40 C ATOM 1280 ND1 HIS A2131 3.755 -6.039 5.842 1.00 0.52 N ATOM 1281 CD2 HIS A2131 2.911 -5.592 3.881 1.00 0.42 C ATOM 1282 CE1 HIS A2131 3.764 -7.160 5.150 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.256 -6.917 3.959 1.00 0.53 N ATOM 0 H HIS A2131 3.393 -1.256 6.264 1.00 0.25 H new ATOM 0 HA HIS A2131 4.973 -3.523 6.642 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.525 -3.564 6.438 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.623 -3.013 4.777 1.00 0.32 H new ATOM 0 HD2 HIS A2131 2.469 -5.093 3.031 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.126 -8.116 5.500 1.00 0.59 H new ATOM 0 HE2 HIS A2131 3.138 -7.604 3.214 1.00 0.53 H new ATOM 1292 N LEU A2132 5.008 -2.343 3.554 1.00 0.27 N ATOM 1293 CA LEU A2132 5.748 -2.361 2.297 1.00 0.33 C ATOM 1294 C LEU A2132 7.174 -1.857 2.485 1.00 0.35 C ATOM 1295 O LEU A2132 8.098 -2.349 1.836 1.00 0.47 O ATOM 1296 CB LEU A2132 5.034 -1.541 1.220 1.00 0.36 C ATOM 1297 CG LEU A2132 3.964 -2.293 0.416 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.541 -3.575 -0.163 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.747 -2.597 1.274 1.00 0.42 C ATOM 0 H LEU A2132 4.196 -1.726 3.556 1.00 0.27 H new ATOM 0 HA LEU A2132 5.793 -3.398 1.965 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.567 -0.678 1.695 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.781 -1.157 0.526 1.00 0.36 H new ATOM 0 HG LEU A2132 3.644 -1.651 -0.405 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.770 -4.097 -0.730 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.375 -3.334 -0.821 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.891 -4.215 0.647 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.006 -3.130 0.678 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.044 -3.215 2.121 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.317 -1.664 1.639 1.00 0.42 H new ATOM 1311 N HIS A2133 7.355 -0.891 3.380 1.00 0.28 N ATOM 1312 CA HIS A2133 8.684 -0.376 3.669 1.00 0.34 C ATOM 1313 C HIS A2133 9.522 -1.486 4.298 1.00 0.38 C ATOM 1314 O HIS A2133 10.643 -1.741 3.885 1.00 0.55 O ATOM 1315 CB HIS A2133 8.582 0.846 4.591 1.00 0.36 C ATOM 1316 CG HIS A2133 9.871 1.578 4.805 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.409 1.812 6.049 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.716 2.153 3.922 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.527 2.499 5.922 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.740 2.720 4.640 1.00 0.63 N ATOM 0 H HIS A2133 6.603 -0.453 3.913 1.00 0.28 H new ATOM 0 HA HIS A2133 9.171 -0.054 2.749 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.851 1.539 4.174 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.198 0.523 5.559 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.606 2.165 2.848 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.162 2.826 6.732 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.533 3.227 4.247 1.00 0.63 H new ATOM 1329 N THR A2134 8.930 -2.192 5.247 1.00 0.32 N ATOM 1330 CA THR A2134 9.597 -3.285 5.935 1.00 0.43 C ATOM 1331 C THR A2134 9.916 -4.442 4.976 1.00 0.51 C ATOM 1332 O THR A2134 10.707 -5.320 5.288 1.00 0.66 O ATOM 1333 CB THR A2134 8.726 -3.806 7.099 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.271 -2.705 7.892 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.496 -4.771 7.985 1.00 0.74 C ATOM 0 H THR A2134 7.975 -2.024 5.562 1.00 0.32 H new ATOM 0 HA THR A2134 10.535 -2.895 6.331 1.00 0.43 H new ATOM 0 HB THR A2134 7.878 -4.337 6.667 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.493 -2.292 7.462 1.00 0.59 H new ATOM 0 HG21 THR A2134 8.851 -5.117 8.793 1.00 0.74 H new ATOM 0 HG22 THR A2134 9.825 -5.625 7.393 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.365 -4.265 8.406 1.00 0.74 H new ATOM 1343 N ARG A2135 9.273 -4.474 3.820 1.00 0.52 N ATOM 1344 CA ARG A2135 9.510 -5.549 2.873 1.00 0.71 C ATOM 1345 C ARG A2135 10.825 -5.364 2.128 1.00 0.88 C ATOM 1346 O ARG A2135 11.773 -6.126 2.330 1.00 1.12 O ATOM 1347 CB ARG A2135 8.354 -5.656 1.880 1.00 0.76 C ATOM 1348 CG ARG A2135 7.009 -5.906 2.537 1.00 0.74 C ATOM 1349 CD ARG A2135 6.991 -7.210 3.319 1.00 0.86 C ATOM 1350 NE ARG A2135 7.828 -7.175 4.518 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.320 -8.263 5.111 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.041 -9.469 4.629 1.00 1.86 N ATOM 1353 NH2 ARG A2135 9.093 -8.144 6.183 1.00 3.18 N ATOM 0 H ARG A2135 8.592 -3.777 3.518 1.00 0.52 H new ATOM 0 HA ARG A2135 9.576 -6.476 3.443 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.299 -4.736 1.299 1.00 0.76 H new ATOM 0 HB3 ARG A2135 8.562 -6.464 1.179 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.773 -5.079 3.206 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.231 -5.930 1.774 1.00 0.74 H new ATOM 0 HD2 ARG A2135 5.965 -7.439 3.607 1.00 0.86 H new ATOM 0 HD3 ARG A2135 7.329 -8.019 2.671 1.00 0.86 H new ATOM 0 HE ARG A2135 8.048 -6.266 4.924 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.449 -9.564 3.804 1.00 1.86 H new ATOM 0 HH12 ARG A2135 8.419 -10.300 5.084 1.00 1.86 H new ATOM 0 HH21 ARG A2135 9.311 -7.219 6.554 1.00 3.18 H new ATOM 0 HH22 ARG A2135 9.469 -8.977 6.636 1.00 3.18 H new ATOM 1367 N LEU A2136 10.881 -4.351 1.278 1.00 0.92 N ATOM 1368 CA LEU A2136 12.033 -4.117 0.440 1.00 1.20 C ATOM 1369 C LEU A2136 13.166 -3.453 1.220 1.00 1.16 C ATOM 1370 O LEU A2136 14.337 -3.768 1.023 1.00 1.43 O ATOM 1371 CB LEU A2136 11.586 -3.250 -0.724 1.00 1.43 C ATOM 1372 CG LEU A2136 12.619 -2.291 -1.278 1.00 1.71 C ATOM 1373 CD1 LEU A2136 13.727 -3.030 -2.010 1.00 2.17 C ATOM 1374 CD2 LEU A2136 11.908 -1.314 -2.173 1.00 2.37 C ATOM 0 H LEU A2136 10.129 -3.673 1.154 1.00 0.92 H new ATOM 0 HA LEU A2136 12.427 -5.065 0.075 1.00 1.20 H new ATOM 0 HB2 LEU A2136 11.257 -3.904 -1.532 1.00 1.43 H new ATOM 0 HB3 LEU A2136 10.717 -2.673 -0.408 1.00 1.43 H new ATOM 0 HG LEU A2136 13.106 -1.754 -0.464 1.00 1.71 H new ATOM 0 HD11 LEU A2136 14.451 -2.312 -2.395 1.00 2.17 H new ATOM 0 HD12 LEU A2136 14.224 -3.714 -1.322 1.00 2.17 H new ATOM 0 HD13 LEU A2136 13.301 -3.595 -2.839 1.00 2.17 H new ATOM 0 HD21 LEU A2136 12.629 -0.609 -2.587 1.00 2.37 H new ATOM 0 HD22 LEU A2136 11.420 -1.853 -2.985 1.00 2.37 H new ATOM 0 HD23 LEU A2136 11.159 -0.771 -1.596 1.00 2.37 H new ATOM 1386 N THR A2137 12.812 -2.564 2.127 1.00 0.96 N ATOM 1387 CA THR A2137 13.789 -1.767 2.836 1.00 1.08 C ATOM 1388 C THR A2137 14.515 -2.596 3.888 1.00 1.17 C ATOM 1389 O THR A2137 15.726 -2.460 4.082 1.00 1.41 O ATOM 1390 CB THR A2137 13.089 -0.564 3.466 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.561 0.271 2.430 1.00 1.23 O ATOM 1392 CG2 THR A2137 14.016 0.226 4.349 1.00 1.15 C ATOM 0 H THR A2137 11.845 -2.376 2.391 1.00 0.96 H new ATOM 0 HA THR A2137 14.543 -1.414 2.133 1.00 1.08 H new ATOM 0 HB THR A2137 12.279 -0.932 4.096 1.00 1.13 H new ATOM 0 HG1 THR A2137 11.607 0.082 2.312 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.478 1.072 4.777 1.00 1.15 H new ATOM 0 HG22 THR A2137 14.386 -0.412 5.152 1.00 1.15 H new ATOM 0 HG23 THR A2137 14.857 0.591 3.759 1.00 1.15 H new ATOM 1400 N GLN A2138 13.774 -3.468 4.551 1.00 1.17 N ATOM 1401 CA GLN A2138 14.363 -4.429 5.464 1.00 1.45 C ATOM 1402 C GLN A2138 14.998 -5.568 4.664 1.00 1.71 C ATOM 1403 O GLN A2138 15.859 -6.292 5.172 1.00 2.00 O ATOM 1404 CB GLN A2138 13.298 -4.918 6.449 1.00 1.78 C ATOM 1405 CG GLN A2138 13.270 -6.416 6.652 1.00 1.32 C ATOM 1406 CD GLN A2138 12.590 -6.816 7.948 1.00 1.91 C ATOM 1407 OE1 GLN A2138 12.595 -6.070 8.924 1.00 2.46 O ATOM 1408 NE2 GLN A2138 12.007 -8.003 7.972 1.00 2.57 N ATOM 0 H GLN A2138 12.759 -3.529 4.472 1.00 1.17 H new ATOM 0 HA GLN A2138 15.156 -3.966 6.051 1.00 1.45 H new ATOM 0 HB2 GLN A2138 13.465 -4.437 7.413 1.00 1.78 H new ATOM 0 HB3 GLN A2138 12.319 -4.594 6.096 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.751 -6.883 5.815 1.00 1.32 H new ATOM 0 HG3 GLN A2138 14.291 -6.799 6.648 1.00 1.32 H new ATOM 0 HE21 GLN A2138 12.023 -8.596 7.142 1.00 2.57 H new ATOM 0 HE22 GLN A2138 11.542 -8.326 8.820 1.00 2.57 H new ATOM 1417 N SER A2139 14.590 -5.682 3.399 1.00 1.82 N ATOM 1418 CA SER A2139 15.231 -6.570 2.434 1.00 2.34 C ATOM 1419 C SER A2139 15.302 -8.005 2.946 1.00 2.85 C ATOM 1420 O SER A2139 16.322 -8.436 3.497 1.00 3.41 O ATOM 1421 CB SER A2139 16.630 -6.048 2.090 1.00 2.99 C ATOM 1422 OG SER A2139 17.229 -6.802 1.048 1.00 3.48 O ATOM 0 H SER A2139 13.803 -5.158 3.016 1.00 1.82 H new ATOM 0 HA SER A2139 14.622 -6.580 1.530 1.00 2.34 H new ATOM 0 HB2 SER A2139 16.565 -5.002 1.791 1.00 2.99 H new ATOM 0 HB3 SER A2139 17.262 -6.087 2.977 1.00 2.99 H new ATOM 0 HG SER A2139 18.119 -6.441 0.853 1.00 3.48 H new ATOM 1428 N HIS A2140 14.220 -8.740 2.760 1.00 3.20 N ATOM 1429 CA HIS A2140 14.177 -10.132 3.172 1.00 4.12 C ATOM 1430 C HIS A2140 14.569 -11.030 2.003 1.00 4.36 C ATOM 1431 O HIS A2140 15.649 -11.647 2.072 1.00 4.66 O ATOM 1432 CB HIS A2140 12.800 -10.518 3.744 1.00 4.76 C ATOM 1433 CG HIS A2140 11.663 -10.454 2.771 1.00 5.33 C ATOM 1434 ND1 HIS A2140 11.230 -9.443 1.986 1.00 6.07 N flip ATOM 1435 CD2 HIS A2140 10.819 -11.512 2.530 1.00 5.72 C flip ATOM 1436 CE1 HIS A2140 10.142 -9.903 1.286 1.00 6.78 C flip ATOM 1437 NE2 HIS A2140 9.918 -11.155 1.638 1.00 6.61 N flip ATOM 1438 OXT HIS A2140 13.832 -11.070 0.996 1.00 4.63 O ATOM 0 H HIS A2140 13.362 -8.398 2.328 1.00 3.20 H new ATOM 0 HA HIS A2140 14.898 -10.273 3.977 1.00 4.12 H new ATOM 0 HB2 HIS A2140 12.861 -11.531 4.141 1.00 4.76 H new ATOM 0 HB3 HIS A2140 12.576 -9.860 4.583 1.00 4.76 H new ATOM 0 HD2 HIS A2140 10.884 -12.483 2.998 1.00 5.72 H new ATOM 0 HE1 HIS A2140 9.567 -9.336 0.569 1.00 6.78 H new ATOM 0 HE2 HIS A2140 9.170 -11.748 1.279 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -16.927 -9.073 -0.160 1.00 1.26 P HETATM 1449 O26 66S A2201 -17.113 -9.410 -1.584 1.00 2.02 O HETATM 1450 O23 66S A2201 -16.478 -10.266 0.596 1.00 2.14 O HETATM 1451 O27 66S A2201 -18.231 -8.427 0.482 1.00 1.51 O HETATM 1452 C28 66S A2201 -19.260 -7.934 -0.413 1.00 1.76 C HETATM 1453 C29 66S A2201 -20.655 -8.297 0.171 1.00 2.58 C HETATM 1454 C30 66S A2201 -20.566 -8.404 1.703 1.00 3.17 C HETATM 1455 C31 66S A2201 -21.099 -9.652 -0.403 1.00 3.36 C HETATM 1456 C32 66S A2201 -21.703 -7.197 -0.225 1.00 3.14 C HETATM 1457 O33 66S A2201 -23.019 -7.695 -0.011 1.00 3.66 O HETATM 1458 C34 66S A2201 -21.548 -5.936 0.611 1.00 3.77 C HETATM 1459 O35 66S A2201 -22.314 -5.653 1.514 1.00 4.48 O HETATM 1460 N36 66S A2201 -20.514 -5.154 0.291 1.00 3.99 N HETATM 1461 C37 66S A2201 -19.763 -4.392 1.294 1.00 4.65 C HETATM 1462 C38 66S A2201 -18.423 -5.069 1.636 1.00 5.05 C HETATM 1463 C39 66S A2201 -17.991 -4.708 3.035 1.00 5.31 C HETATM 1464 O40 66S A2201 -18.686 -4.072 3.805 1.00 6.12 O HETATM 1465 N41 66S A2201 -16.778 -5.138 3.381 1.00 4.83 N HETATM 1466 C42 66S A2201 -15.728 -4.234 3.838 1.00 4.77 C HETATM 1467 C43 66S A2201 -14.430 -4.991 4.108 1.00 4.00 C HETATM 1468 S1 66S A2201 -14.613 -6.769 3.784 1.00 3.68 S HETATM 1469 C1 66S A2201 -12.926 -7.259 3.723 1.00 3.22 C HETATM 1470 O1 66S A2201 -12.177 -6.897 2.837 1.00 3.95 O HETATM 1471 C2 66S A2201 -12.501 -8.161 4.857 1.00 2.52 C HETATM 1472 C3 66S A2201 -10.995 -8.003 5.158 1.00 2.11 C HETATM 1473 C4 66S A2201 -10.680 -6.579 5.649 1.00 1.89 C HETATM 1474 C5 66S A2201 -11.214 -6.368 7.076 1.00 1.41 C HETATM 1475 C6 66S A2201 -12.372 -5.354 7.069 1.00 1.16 C HETATM 1476 C7 66S A2201 -11.829 -3.922 7.163 1.00 1.33 C HETATM 1477 C8 66S A2201 -11.728 -3.296 5.760 1.00 1.42 C