USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=27 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: A2073 THR OG1 : rot 76:sc= 1.22 USER MOD Set 1.2: A2078 HIS : no HD1:sc= -0.101 X(o=1.1,f=0.88) USER MOD Set 2.1: A2059 GLN : amide:sc= -0.166 K(o=-0.35,f=-5.5!) USER MOD Set 2.2: A2133 HIS : no HE2:sc= -0.186 K(o=-0.35,f=-1.3) USER MOD Single : A2047 SER OG : rot 180:sc= -0.222 USER MOD Single : A2048 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2049 MET CE :methyl -178:sc= -8.27! (180deg=-8.51!) USER MOD Single : A2052 ASN :FLIP amide:sc= -0.505 F(o=-1.7,f=-0.5) USER MOD Single : A2055 SER OG : rot 103:sc= -0.605 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.15) USER MOD Single : A2060 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A2062 THR OG1 : rot -160:sc= 0 USER MOD Single : A2065 THR OG1 : rot 73:sc= 1.26 USER MOD Single : A2071 THR OG1 : rot 155:sc= -0.779 USER MOD Single : A2077 HIS : no HE2:sc= -0.54 K(o=-0.54,f=-1.7) USER MOD Single : A2079 THR OG1 : rot 180:sc= 0 USER MOD Single : A2082 SER OG : rot -35:sc= 0.351 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -169:sc= -1.05 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.634 USER MOD Single : A2104 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.5) USER MOD Single : A2105 THR OG1 : rot 69:sc= 0.624 USER MOD Single : A2107 THR OG1 : rot 90:sc= -0.431! USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN :FLIP amide:sc= -0.459 F(o=-1.1,f=-0.46) USER MOD Single : A2110 THR OG1 : rot -81:sc= 0.935 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot -170:sc= -1.64 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 167:sc= -0.516 USER MOD Single : A2130 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.7!) USER MOD Single : A2131 HIS :FLIP no HD1:sc= 0 F(o=-0.55,f=0) USER MOD Single : A2134 THR OG1 : rot 68:sc= 1.11 USER MOD Single : A2137 THR OG1 : rot -90:sc=0.000138 USER MOD Single : A2138 GLN :FLIP amide:sc= -0.91 F(o=-1.7!,f=-0.91) 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 18.990 -3.037 -1.584 1.00 6.58 N ATOM 2 CA GLY A2046 18.324 -2.809 -2.890 1.00 6.00 C ATOM 3 C GLY A2046 16.825 -2.995 -2.804 1.00 4.95 C ATOM 4 O GLY A2046 16.325 -3.602 -1.853 1.00 5.03 O ATOM 0 HA2 GLY A2046 18.544 -1.800 -3.238 1.00 6.00 H new ATOM 0 HA3 GLY A2046 18.733 -3.497 -3.630 1.00 6.00 H new ATOM 10 N SER A2047 16.109 -2.475 -3.788 1.00 4.27 N ATOM 11 CA SER A2047 14.661 -2.579 -3.821 1.00 3.35 C ATOM 12 C SER A2047 14.140 -2.390 -5.235 1.00 3.13 C ATOM 13 O SER A2047 14.684 -1.611 -6.021 1.00 3.47 O ATOM 14 CB SER A2047 14.023 -1.559 -2.876 1.00 3.02 C ATOM 15 OG SER A2047 14.490 -0.248 -3.135 1.00 3.54 O ATOM 0 H SER A2047 16.512 -1.973 -4.579 1.00 4.27 H new ATOM 0 HA SER A2047 14.386 -3.579 -3.484 1.00 3.35 H new ATOM 0 HB2 SER A2047 12.939 -1.588 -2.986 1.00 3.02 H new ATOM 0 HB3 SER A2047 14.246 -1.829 -1.844 1.00 3.02 H new ATOM 0 HG SER A2047 14.062 0.380 -2.516 1.00 3.54 H new ATOM 21 N HIS A2048 13.075 -3.106 -5.541 1.00 3.12 N ATOM 22 CA HIS A2048 12.443 -3.065 -6.856 1.00 3.29 C ATOM 23 C HIS A2048 11.486 -1.886 -6.964 1.00 2.68 C ATOM 24 O HIS A2048 10.601 -1.869 -7.818 1.00 3.15 O ATOM 25 CB HIS A2048 11.674 -4.365 -7.083 1.00 4.29 C ATOM 26 CG HIS A2048 12.547 -5.546 -7.369 1.00 5.00 C ATOM 27 ND1 HIS A2048 12.510 -6.236 -8.559 1.00 5.92 N ATOM 28 CD2 HIS A2048 13.470 -6.173 -6.603 1.00 5.21 C ATOM 29 CE1 HIS A2048 13.371 -7.235 -8.513 1.00 6.67 C ATOM 30 NE2 HIS A2048 13.968 -7.220 -7.336 1.00 6.28 N ATOM 0 H HIS A2048 12.617 -3.738 -4.884 1.00 3.12 H new ATOM 0 HA HIS A2048 13.219 -2.949 -7.612 1.00 3.29 H new ATOM 0 HB2 HIS A2048 11.071 -4.577 -6.200 1.00 4.29 H new ATOM 0 HB3 HIS A2048 10.984 -4.226 -7.915 1.00 4.29 H new ATOM 0 HD2 HIS A2048 13.761 -5.899 -5.600 1.00 5.21 H new ATOM 0 HE1 HIS A2048 13.556 -7.945 -9.305 1.00 6.67 H new ATOM 0 HE2 HIS A2048 14.682 -7.878 -7.023 1.00 6.28 H new ATOM 39 N MET A2049 11.688 -0.897 -6.110 1.00 2.16 N ATOM 40 CA MET A2049 10.702 0.146 -5.894 1.00 2.54 C ATOM 41 C MET A2049 10.513 1.073 -7.069 1.00 3.09 C ATOM 42 O MET A2049 9.475 1.024 -7.729 1.00 3.75 O ATOM 43 CB MET A2049 11.040 0.916 -4.635 1.00 2.76 C ATOM 44 CG MET A2049 10.604 0.159 -3.401 1.00 2.18 C ATOM 45 SD MET A2049 8.820 -0.079 -3.393 1.00 2.91 S ATOM 46 CE MET A2049 8.630 -1.111 -1.956 1.00 2.37 C ATOM 0 H MET A2049 12.535 -0.795 -5.550 1.00 2.16 H new ATOM 0 HA MET A2049 9.741 -0.354 -5.775 1.00 2.54 H new ATOM 0 HB2 MET A2049 12.114 1.098 -4.593 1.00 2.76 H new ATOM 0 HB3 MET A2049 10.552 1.891 -4.659 1.00 2.76 H new ATOM 0 HG2 MET A2049 11.104 -0.809 -3.367 1.00 2.18 H new ATOM 0 HG3 MET A2049 10.906 0.706 -2.508 1.00 2.18 H new ATOM 0 HE1 MET A2049 7.580 -1.377 -1.835 1.00 2.37 H new ATOM 0 HE2 MET A2049 9.222 -2.018 -2.079 1.00 2.37 H new ATOM 0 HE3 MET A2049 8.972 -0.571 -1.073 1.00 2.37 H new ATOM 56 N ARG A2050 11.470 1.929 -7.348 1.00 3.38 N ATOM 57 CA ARG A2050 11.275 2.807 -8.483 1.00 4.33 C ATOM 58 C ARG A2050 11.956 2.204 -9.700 1.00 4.19 C ATOM 59 O ARG A2050 11.284 1.831 -10.658 1.00 4.88 O ATOM 60 CB ARG A2050 11.817 4.208 -8.188 1.00 5.36 C ATOM 61 CG ARG A2050 11.132 5.310 -8.980 1.00 6.15 C ATOM 62 CD ARG A2050 9.645 5.356 -8.668 1.00 6.73 C ATOM 63 NE ARG A2050 8.995 6.543 -9.216 1.00 7.76 N ATOM 64 CZ ARG A2050 7.672 6.732 -9.226 1.00 8.52 C ATOM 65 NH1 ARG A2050 6.854 5.788 -8.769 1.00 8.48 N ATOM 66 NH2 ARG A2050 7.166 7.863 -9.702 1.00 9.54 N ATOM 0 H ARG A2050 12.347 2.037 -6.838 1.00 3.38 H new ATOM 0 HA ARG A2050 10.208 2.907 -8.683 1.00 4.33 H new ATOM 0 HB2 ARG A2050 11.704 4.414 -7.124 1.00 5.36 H new ATOM 0 HB3 ARG A2050 12.885 4.227 -8.405 1.00 5.36 H new ATOM 0 HG2 ARG A2050 11.588 6.271 -8.743 1.00 6.15 H new ATOM 0 HG3 ARG A2050 11.279 5.142 -10.047 1.00 6.15 H new ATOM 0 HD2 ARG A2050 9.165 4.464 -9.071 1.00 6.73 H new ATOM 0 HD3 ARG A2050 9.503 5.334 -7.588 1.00 6.73 H new ATOM 0 HE ARG A2050 9.586 7.272 -9.615 1.00 7.76 H new ATOM 0 HH11 ARG A2050 7.235 4.914 -8.408 1.00 8.48 H new ATOM 0 HH12 ARG A2050 5.845 5.939 -8.779 1.00 8.48 H new ATOM 0 HH21 ARG A2050 7.787 8.588 -10.060 1.00 9.54 H new ATOM 0 HH22 ARG A2050 6.156 8.007 -9.709 1.00 9.54 H new ATOM 80 N LEU A2051 13.279 2.098 -9.679 1.00 3.64 N ATOM 81 CA LEU A2051 13.949 0.999 -10.350 1.00 3.84 C ATOM 82 C LEU A2051 15.070 0.436 -9.466 1.00 3.17 C ATOM 83 O LEU A2051 15.073 -0.745 -9.126 1.00 3.42 O ATOM 84 CB LEU A2051 14.381 1.333 -11.812 1.00 4.74 C ATOM 85 CG LEU A2051 15.442 2.421 -12.091 1.00 5.66 C ATOM 86 CD1 LEU A2051 15.223 3.678 -11.266 1.00 6.21 C ATOM 87 CD2 LEU A2051 16.851 1.875 -11.920 1.00 6.31 C ATOM 0 H LEU A2051 13.902 2.755 -9.208 1.00 3.64 H new ATOM 0 HA LEU A2051 13.224 0.196 -10.485 1.00 3.84 H new ATOM 0 HB2 LEU A2051 14.745 0.408 -12.258 1.00 4.74 H new ATOM 0 HB3 LEU A2051 13.480 1.616 -12.356 1.00 4.74 H new ATOM 0 HG LEU A2051 15.323 2.715 -13.134 1.00 5.66 H new ATOM 0 HD11 LEU A2051 15.997 4.408 -11.503 1.00 6.21 H new ATOM 0 HD12 LEU A2051 14.244 4.099 -11.497 1.00 6.21 H new ATOM 0 HD13 LEU A2051 15.270 3.430 -10.206 1.00 6.21 H new ATOM 0 HD21 LEU A2051 17.574 2.665 -12.123 1.00 6.31 H new ATOM 0 HD22 LEU A2051 16.981 1.518 -10.898 1.00 6.31 H new ATOM 0 HD23 LEU A2051 17.009 1.051 -12.616 1.00 6.31 H new ATOM 99 N ASN A2052 16.009 1.307 -9.076 1.00 2.84 N ATOM 100 CA ASN A2052 17.118 0.919 -8.204 1.00 3.03 C ATOM 101 C ASN A2052 16.899 1.326 -6.744 1.00 2.88 C ATOM 102 O ASN A2052 16.678 2.500 -6.449 1.00 2.92 O ATOM 103 CB ASN A2052 18.460 1.491 -8.707 1.00 3.65 C ATOM 104 CG ASN A2052 18.605 2.998 -8.534 1.00 4.17 C ATOM 105 OD1 ASN A2052 18.255 3.756 -9.559 1.00 4.47 O flip ATOM 106 ND2 ASN A2052 19.053 3.475 -7.489 1.00 4.71 N flip ATOM 0 H ASN A2052 16.020 2.288 -9.353 1.00 2.84 H new ATOM 0 HA ASN A2052 17.156 -0.170 -8.242 1.00 3.03 H new ATOM 0 HB2 ASN A2052 19.274 0.996 -8.177 1.00 3.65 H new ATOM 0 HB3 ASN A2052 18.573 1.246 -9.763 1.00 3.65 H new ATOM 0 HD21 ASN A2052 19.313 2.860 -6.718 1.00 4.71 H new ATOM 0 HD22 ASN A2052 19.164 4.485 -7.396 1.00 4.71 H new ATOM 113 N GLY A2053 16.862 0.328 -5.868 1.00 3.23 N ATOM 114 CA GLY A2053 17.296 0.483 -4.479 1.00 3.43 C ATOM 115 C GLY A2053 16.999 1.817 -3.809 1.00 2.89 C ATOM 116 O GLY A2053 17.938 2.532 -3.458 1.00 2.97 O ATOM 0 H GLY A2053 16.532 -0.610 -6.097 1.00 3.23 H new ATOM 0 HA2 GLY A2053 16.829 -0.305 -3.888 1.00 3.43 H new ATOM 0 HA3 GLY A2053 18.372 0.316 -4.439 1.00 3.43 H new ATOM 120 N LEU A2054 15.730 2.188 -3.658 1.00 2.44 N ATOM 121 CA LEU A2054 15.397 3.391 -2.901 1.00 2.06 C ATOM 122 C LEU A2054 15.939 3.298 -1.484 1.00 1.93 C ATOM 123 O LEU A2054 15.975 2.219 -0.893 1.00 2.10 O ATOM 124 CB LEU A2054 13.888 3.598 -2.823 1.00 1.96 C ATOM 125 CG LEU A2054 13.195 3.931 -4.133 1.00 2.68 C ATOM 126 CD1 LEU A2054 11.731 4.216 -3.875 1.00 3.19 C ATOM 127 CD2 LEU A2054 13.865 5.117 -4.813 1.00 3.31 C ATOM 0 H LEU A2054 14.930 1.685 -4.041 1.00 2.44 H new ATOM 0 HA LEU A2054 15.852 4.233 -3.423 1.00 2.06 H new ATOM 0 HB2 LEU A2054 13.437 2.693 -2.416 1.00 1.96 H new ATOM 0 HB3 LEU A2054 13.687 4.401 -2.114 1.00 1.96 H new ATOM 0 HG LEU A2054 13.276 3.075 -4.803 1.00 2.68 H new ATOM 0 HD11 LEU A2054 11.235 4.455 -4.816 1.00 3.19 H new ATOM 0 HD12 LEU A2054 11.262 3.338 -3.431 1.00 3.19 H new ATOM 0 HD13 LEU A2054 11.640 5.061 -3.192 1.00 3.19 H new ATOM 0 HD21 LEU A2054 13.352 5.337 -5.749 1.00 3.31 H new ATOM 0 HD22 LEU A2054 13.815 5.987 -4.159 1.00 3.31 H new ATOM 0 HD23 LEU A2054 14.908 4.877 -5.019 1.00 3.31 H new ATOM 139 N SER A2055 16.355 4.427 -0.947 1.00 1.75 N ATOM 140 CA SER A2055 16.801 4.495 0.428 1.00 1.71 C ATOM 141 C SER A2055 15.591 4.461 1.359 1.00 1.44 C ATOM 142 O SER A2055 14.484 4.806 0.935 1.00 1.25 O ATOM 143 CB SER A2055 17.615 5.772 0.630 1.00 1.78 C ATOM 144 OG SER A2055 16.900 6.903 0.169 1.00 2.08 O ATOM 0 H SER A2055 16.393 5.315 -1.447 1.00 1.75 H new ATOM 0 HA SER A2055 17.435 3.639 0.661 1.00 1.71 H new ATOM 0 HB2 SER A2055 17.853 5.893 1.687 1.00 1.78 H new ATOM 0 HB3 SER A2055 18.562 5.693 0.096 1.00 1.78 H new ATOM 0 HG SER A2055 16.528 7.389 0.934 1.00 2.08 H new ATOM 150 N PRO A2056 15.772 4.023 2.621 1.00 1.48 N ATOM 151 CA PRO A2056 14.682 3.900 3.596 1.00 1.29 C ATOM 152 C PRO A2056 13.690 5.066 3.560 1.00 1.09 C ATOM 153 O PRO A2056 12.476 4.852 3.480 1.00 0.87 O ATOM 154 CB PRO A2056 15.428 3.866 4.927 1.00 1.53 C ATOM 155 CG PRO A2056 16.714 3.189 4.607 1.00 1.78 C ATOM 156 CD PRO A2056 17.065 3.602 3.201 1.00 1.78 C ATOM 0 HA PRO A2056 14.062 3.025 3.400 1.00 1.29 H new ATOM 0 HB2 PRO A2056 15.593 4.870 5.317 1.00 1.53 H new ATOM 0 HB3 PRO A2056 14.867 3.318 5.684 1.00 1.53 H new ATOM 0 HG2 PRO A2056 17.495 3.486 5.307 1.00 1.78 H new ATOM 0 HG3 PRO A2056 16.614 2.106 4.682 1.00 1.78 H new ATOM 0 HD2 PRO A2056 17.790 4.416 3.193 1.00 1.78 H new ATOM 0 HD3 PRO A2056 17.505 2.777 2.640 1.00 1.78 H new ATOM 164 N GLN A2057 14.211 6.286 3.614 1.00 1.22 N ATOM 165 CA GLN A2057 13.392 7.481 3.592 1.00 1.17 C ATOM 166 C GLN A2057 12.644 7.640 2.270 1.00 1.01 C ATOM 167 O GLN A2057 11.438 7.895 2.262 1.00 0.95 O ATOM 168 CB GLN A2057 14.261 8.690 3.837 1.00 1.44 C ATOM 169 CG GLN A2057 13.492 9.834 4.436 1.00 1.66 C ATOM 170 CD GLN A2057 14.279 11.125 4.439 1.00 2.02 C ATOM 171 OE1 GLN A2057 14.217 11.903 3.488 1.00 2.32 O ATOM 172 NE2 GLN A2057 15.036 11.353 5.497 1.00 2.40 N ATOM 0 H GLN A2057 15.213 6.469 3.674 1.00 1.22 H new ATOM 0 HA GLN A2057 12.645 7.389 4.381 1.00 1.17 H new ATOM 0 HB2 GLN A2057 15.080 8.417 4.503 1.00 1.44 H new ATOM 0 HB3 GLN A2057 14.709 9.009 2.896 1.00 1.44 H new ATOM 0 HG2 GLN A2057 12.567 9.978 3.877 1.00 1.66 H new ATOM 0 HG3 GLN A2057 13.210 9.582 5.458 1.00 1.66 H new ATOM 0 HE21 GLN A2057 15.057 10.680 6.263 1.00 2.40 H new ATOM 0 HE22 GLN A2057 15.599 12.202 5.548 1.00 2.40 H new ATOM 181 N GLN A2058 13.359 7.489 1.154 1.00 1.07 N ATOM 182 CA GLN A2058 12.756 7.642 -0.171 1.00 1.08 C ATOM 183 C GLN A2058 11.648 6.624 -0.376 1.00 0.89 C ATOM 184 O GLN A2058 10.629 6.922 -1.003 1.00 0.84 O ATOM 185 CB GLN A2058 13.798 7.486 -1.279 1.00 1.36 C ATOM 186 CG GLN A2058 14.831 8.601 -1.320 1.00 1.58 C ATOM 187 CD GLN A2058 14.209 9.977 -1.479 1.00 1.86 C ATOM 188 OE1 GLN A2058 13.979 10.440 -2.595 1.00 2.40 O ATOM 189 NE2 GLN A2058 13.948 10.646 -0.367 1.00 2.23 N ATOM 0 H GLN A2058 14.353 7.262 1.141 1.00 1.07 H new ATOM 0 HA GLN A2058 12.339 8.648 -0.223 1.00 1.08 H new ATOM 0 HB2 GLN A2058 14.312 6.534 -1.149 1.00 1.36 H new ATOM 0 HB3 GLN A2058 13.287 7.443 -2.241 1.00 1.36 H new ATOM 0 HG2 GLN A2058 15.420 8.578 -0.403 1.00 1.58 H new ATOM 0 HG3 GLN A2058 15.520 8.421 -2.146 1.00 1.58 H new ATOM 0 HE21 GLN A2058 14.153 10.227 0.540 1.00 2.23 H new ATOM 0 HE22 GLN A2058 13.542 11.580 -0.417 1.00 2.23 H new ATOM 198 N GLN A2059 11.862 5.425 0.150 1.00 0.87 N ATOM 199 CA GLN A2059 10.864 4.372 0.089 1.00 0.75 C ATOM 200 C GLN A2059 9.549 4.846 0.694 1.00 0.58 C ATOM 201 O GLN A2059 8.535 4.874 0.010 1.00 0.54 O ATOM 202 CB GLN A2059 11.358 3.122 0.814 1.00 0.80 C ATOM 203 CG GLN A2059 12.459 2.378 0.073 1.00 1.17 C ATOM 204 CD GLN A2059 12.970 1.181 0.852 1.00 1.86 C ATOM 205 OE1 GLN A2059 12.248 0.599 1.657 1.00 2.83 O ATOM 206 NE2 GLN A2059 14.214 0.802 0.616 1.00 1.87 N ATOM 0 H GLN A2059 12.724 5.159 0.626 1.00 0.87 H new ATOM 0 HA GLN A2059 10.695 4.122 -0.958 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.725 3.406 1.800 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.517 2.447 0.969 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.082 2.045 -0.894 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.286 3.060 -0.125 1.00 1.17 H new ATOM 0 HE21 GLN A2059 14.783 1.311 -0.060 1.00 1.87 H new ATOM 0 HE22 GLN A2059 14.605 0.000 1.110 1.00 1.87 H new ATOM 215 N GLN A2060 9.581 5.244 1.965 1.00 0.54 N ATOM 216 CA GLN A2060 8.394 5.739 2.654 1.00 0.45 C ATOM 217 C GLN A2060 7.633 6.772 1.834 1.00 0.44 C ATOM 218 O GLN A2060 6.413 6.776 1.837 1.00 0.42 O ATOM 219 CB GLN A2060 8.791 6.333 3.997 1.00 0.55 C ATOM 220 CG GLN A2060 9.349 5.301 4.952 1.00 0.57 C ATOM 221 CD GLN A2060 9.858 5.911 6.244 1.00 0.81 C ATOM 222 OE1 GLN A2060 10.331 7.049 6.267 1.00 1.38 O ATOM 223 NE2 GLN A2060 9.760 5.163 7.331 1.00 1.01 N ATOM 0 H GLN A2060 10.423 5.232 2.540 1.00 0.54 H new ATOM 0 HA GLN A2060 7.726 4.891 2.803 1.00 0.45 H new ATOM 0 HB2 GLN A2060 9.534 7.114 3.838 1.00 0.55 H new ATOM 0 HB3 GLN A2060 7.921 6.808 4.450 1.00 0.55 H new ATOM 0 HG2 GLN A2060 8.575 4.569 5.181 1.00 0.57 H new ATOM 0 HG3 GLN A2060 10.162 4.763 4.464 1.00 0.57 H new ATOM 0 HE21 GLN A2060 9.362 4.226 7.271 1.00 1.01 H new ATOM 0 HE22 GLN A2060 10.082 5.524 8.229 1.00 1.01 H new ATOM 232 N GLN A2061 8.348 7.637 1.128 1.00 0.58 N ATOM 233 CA GLN A2061 7.705 8.645 0.293 1.00 0.61 C ATOM 234 C GLN A2061 6.931 7.983 -0.838 1.00 0.51 C ATOM 235 O GLN A2061 5.724 8.186 -0.992 1.00 0.45 O ATOM 236 CB GLN A2061 8.752 9.582 -0.300 1.00 0.83 C ATOM 237 CG GLN A2061 9.721 10.133 0.725 1.00 0.89 C ATOM 238 CD GLN A2061 9.068 11.103 1.687 1.00 1.29 C ATOM 239 OE1 GLN A2061 8.118 11.803 1.333 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.567 11.146 2.910 1.00 1.97 N ATOM 0 H GLN A2061 9.368 7.662 1.116 1.00 0.58 H new ATOM 0 HA GLN A2061 7.016 9.215 0.916 1.00 0.61 H new ATOM 0 HB2 GLN A2061 9.312 9.048 -1.068 1.00 0.83 H new ATOM 0 HB3 GLN A2061 8.247 10.412 -0.794 1.00 0.83 H new ATOM 0 HG2 GLN A2061 10.156 9.307 1.288 1.00 0.89 H new ATOM 0 HG3 GLN A2061 10.541 10.635 0.211 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.355 10.549 3.161 1.00 1.97 H new ATOM 0 HE22 GLN A2061 9.164 11.777 3.603 1.00 1.97 H new ATOM 249 N THR A2062 7.647 7.194 -1.627 1.00 0.53 N ATOM 250 CA THR A2062 7.053 6.448 -2.727 1.00 0.50 C ATOM 251 C THR A2062 5.899 5.570 -2.242 1.00 0.39 C ATOM 252 O THR A2062 4.786 5.660 -2.752 1.00 0.42 O ATOM 253 CB THR A2062 8.119 5.580 -3.429 1.00 0.59 C ATOM 254 OG1 THR A2062 9.067 6.427 -4.094 1.00 0.74 O ATOM 255 CG2 THR A2062 7.493 4.618 -4.429 1.00 0.83 C ATOM 0 H THR A2062 8.652 7.053 -1.523 1.00 0.53 H new ATOM 0 HA THR A2062 6.656 7.169 -3.441 1.00 0.50 H new ATOM 0 HB THR A2062 8.623 4.985 -2.668 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.539 5.913 -4.782 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.276 4.025 -4.902 1.00 0.83 H new ATOM 0 HG22 THR A2062 6.799 3.956 -3.911 1.00 0.83 H new ATOM 0 HG23 THR A2062 6.956 5.183 -5.191 1.00 0.83 H new ATOM 263 N LEU A2063 6.173 4.744 -1.246 1.00 0.37 N ATOM 264 CA LEU A2063 5.194 3.843 -0.668 1.00 0.29 C ATOM 265 C LEU A2063 3.971 4.590 -0.134 1.00 0.22 C ATOM 266 O LEU A2063 2.840 4.146 -0.334 1.00 0.21 O ATOM 267 CB LEU A2063 5.864 3.032 0.441 1.00 0.30 C ATOM 268 CG LEU A2063 6.753 1.875 -0.032 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.751 2.311 -1.095 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.484 1.257 1.154 1.00 0.79 C ATOM 0 H LEU A2063 7.094 4.681 -0.812 1.00 0.37 H new ATOM 0 HA LEU A2063 4.832 3.174 -1.449 1.00 0.29 H new ATOM 0 HB2 LEU A2063 6.468 3.707 1.047 1.00 0.30 H new ATOM 0 HB3 LEU A2063 5.088 2.628 1.092 1.00 0.30 H new ATOM 0 HG LEU A2063 6.101 1.130 -0.487 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.357 1.457 -1.397 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.214 2.700 -1.960 1.00 0.92 H new ATOM 0 HD13 LEU A2063 8.398 3.089 -0.690 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.112 0.437 0.807 1.00 0.79 H new ATOM 0 HD22 LEU A2063 8.106 2.013 1.632 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.757 0.878 1.872 1.00 0.79 H new ATOM 282 N ALA A2064 4.198 5.727 0.524 1.00 0.25 N ATOM 283 CA ALA A2064 3.107 6.542 1.062 1.00 0.27 C ATOM 284 C ALA A2064 2.223 7.073 -0.057 1.00 0.25 C ATOM 285 O ALA A2064 1.017 7.254 0.115 1.00 0.30 O ATOM 286 CB ALA A2064 3.660 7.703 1.881 1.00 0.37 C ATOM 0 H ALA A2064 5.129 6.106 0.698 1.00 0.25 H new ATOM 0 HA ALA A2064 2.503 5.907 1.710 1.00 0.27 H new ATOM 0 HB1 ALA A2064 2.835 8.298 2.273 1.00 0.37 H new ATOM 0 HB2 ALA A2064 4.252 7.314 2.709 1.00 0.37 H new ATOM 0 HB3 ALA A2064 4.289 8.328 1.247 1.00 0.37 H new ATOM 292 N THR A2065 2.828 7.294 -1.210 1.00 0.24 N ATOM 293 CA THR A2065 2.123 7.844 -2.351 1.00 0.27 C ATOM 294 C THR A2065 1.487 6.719 -3.153 1.00 0.24 C ATOM 295 O THR A2065 0.405 6.874 -3.718 1.00 0.29 O ATOM 296 CB THR A2065 3.076 8.654 -3.246 1.00 0.35 C ATOM 297 OG1 THR A2065 3.853 9.550 -2.438 1.00 0.40 O ATOM 298 CG2 THR A2065 2.304 9.453 -4.285 1.00 0.42 C ATOM 0 H THR A2065 3.815 7.099 -1.380 1.00 0.24 H new ATOM 0 HA THR A2065 1.345 8.514 -1.986 1.00 0.27 H new ATOM 0 HB THR A2065 3.733 7.955 -3.764 1.00 0.35 H new ATOM 0 HG1 THR A2065 4.526 9.041 -1.940 1.00 0.40 H new ATOM 0 HG21 THR A2065 3.003 10.016 -4.904 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.729 8.773 -4.914 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.626 10.143 -3.783 1.00 0.42 H new ATOM 306 N LEU A2066 2.170 5.581 -3.179 1.00 0.21 N ATOM 307 CA LEU A2066 1.670 4.389 -3.840 1.00 0.21 C ATOM 308 C LEU A2066 0.334 3.981 -3.270 1.00 0.18 C ATOM 309 O LEU A2066 -0.663 3.990 -3.967 1.00 0.20 O ATOM 310 CB LEU A2066 2.657 3.233 -3.681 1.00 0.24 C ATOM 311 CG LEU A2066 2.099 1.848 -4.023 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.571 1.804 -5.451 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.160 0.783 -3.808 1.00 0.36 C ATOM 0 H LEU A2066 3.084 5.462 -2.742 1.00 0.21 H new ATOM 0 HA LEU A2066 1.552 4.621 -4.898 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.522 3.425 -4.315 1.00 0.24 H new ATOM 0 HB3 LEU A2066 3.013 3.219 -2.651 1.00 0.24 H new ATOM 0 HG LEU A2066 1.263 1.645 -3.354 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.182 0.809 -5.664 1.00 0.37 H new ATOM 0 HD12 LEU A2066 0.774 2.538 -5.567 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.379 2.034 -6.145 1.00 0.37 H new ATOM 0 HD21 LEU A2066 2.749 -0.196 -4.055 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.017 0.989 -4.449 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.477 0.790 -2.765 1.00 0.36 H new ATOM 325 N VAL A2067 0.330 3.624 -1.998 1.00 0.17 N ATOM 326 CA VAL A2067 -0.883 3.170 -1.331 1.00 0.18 C ATOM 327 C VAL A2067 -2.008 4.197 -1.469 1.00 0.19 C ATOM 328 O VAL A2067 -3.168 3.840 -1.696 1.00 0.22 O ATOM 329 CB VAL A2067 -0.617 2.863 0.155 1.00 0.21 C ATOM 330 CG1 VAL A2067 0.001 4.058 0.864 1.00 0.51 C ATOM 331 CG2 VAL A2067 -1.899 2.440 0.840 1.00 0.64 C ATOM 0 H VAL A2067 1.157 3.639 -1.401 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.200 2.249 -1.820 1.00 0.18 H new ATOM 0 HB VAL A2067 0.097 2.041 0.208 1.00 0.21 H new ATOM 0 HG11 VAL A2067 0.176 3.809 1.911 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.948 4.314 0.388 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -0.678 4.909 0.802 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.697 2.226 1.890 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.632 3.243 0.768 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.292 1.546 0.356 1.00 0.64 H new ATOM 341 N ALA A2068 -1.647 5.467 -1.362 1.00 0.19 N ATOM 342 CA ALA A2068 -2.592 6.556 -1.541 1.00 0.23 C ATOM 343 C ALA A2068 -3.196 6.529 -2.941 1.00 0.23 C ATOM 344 O ALA A2068 -4.415 6.535 -3.103 1.00 0.29 O ATOM 345 CB ALA A2068 -1.904 7.886 -1.281 1.00 0.27 C ATOM 0 H ALA A2068 -0.696 5.769 -1.150 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.404 6.432 -0.825 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -2.618 8.698 -1.417 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -1.523 7.905 -0.260 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.076 8.010 -1.979 1.00 0.27 H new ATOM 351 N ALA A2069 -2.340 6.478 -3.949 1.00 0.20 N ATOM 352 CA ALA A2069 -2.789 6.437 -5.330 1.00 0.22 C ATOM 353 C ALA A2069 -3.441 5.096 -5.653 1.00 0.23 C ATOM 354 O ALA A2069 -4.316 5.011 -6.512 1.00 0.29 O ATOM 355 CB ALA A2069 -1.620 6.701 -6.262 1.00 0.25 C ATOM 0 H ALA A2069 -1.326 6.464 -3.835 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.538 7.215 -5.474 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.964 6.669 -7.296 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.200 7.684 -6.050 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.855 5.940 -6.111 1.00 0.25 H new ATOM 361 N ALA A2070 -3.023 4.063 -4.937 1.00 0.21 N ATOM 362 CA ALA A2070 -3.504 2.710 -5.160 1.00 0.24 C ATOM 363 C ALA A2070 -4.978 2.607 -4.828 1.00 0.26 C ATOM 364 O ALA A2070 -5.785 2.222 -5.669 1.00 0.34 O ATOM 365 CB ALA A2070 -2.714 1.716 -4.329 1.00 0.25 C ATOM 0 H ALA A2070 -2.339 4.141 -4.184 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.365 2.472 -6.214 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.090 0.709 -4.511 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.661 1.765 -4.606 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.822 1.958 -3.272 1.00 0.25 H new ATOM 371 N THR A2071 -5.331 2.991 -3.608 1.00 0.24 N ATOM 372 CA THR A2071 -6.708 2.902 -3.152 1.00 0.28 C ATOM 373 C THR A2071 -7.589 3.851 -3.950 1.00 0.31 C ATOM 374 O THR A2071 -8.782 3.615 -4.137 1.00 0.37 O ATOM 375 CB THR A2071 -6.816 3.213 -1.648 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.095 2.815 -1.150 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.609 4.689 -1.359 1.00 0.29 C ATOM 0 H THR A2071 -4.681 3.367 -2.918 1.00 0.24 H new ATOM 0 HA THR A2071 -7.052 1.880 -3.312 1.00 0.28 H new ATOM 0 HB THR A2071 -6.028 2.650 -1.147 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.030 2.634 -0.189 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.693 4.865 -0.287 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.619 4.991 -1.700 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.366 5.272 -1.883 1.00 0.29 H new ATOM 385 N ALA A2072 -6.973 4.908 -4.434 1.00 0.31 N ATOM 386 CA ALA A2072 -7.647 5.880 -5.264 1.00 0.40 C ATOM 387 C ALA A2072 -7.851 5.336 -6.677 1.00 0.42 C ATOM 388 O ALA A2072 -8.695 5.814 -7.428 1.00 0.54 O ATOM 389 CB ALA A2072 -6.851 7.173 -5.263 1.00 0.47 C ATOM 0 H ALA A2072 -5.989 5.117 -4.262 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.638 6.085 -4.859 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.355 7.911 -5.888 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -6.774 7.552 -4.244 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -5.852 6.986 -5.657 1.00 0.47 H new ATOM 395 N THR A2073 -7.078 4.328 -7.030 1.00 0.36 N ATOM 396 CA THR A2073 -7.256 3.647 -8.303 1.00 0.40 C ATOM 397 C THR A2073 -8.358 2.591 -8.202 1.00 0.29 C ATOM 398 O THR A2073 -9.176 2.442 -9.113 1.00 0.34 O ATOM 399 CB THR A2073 -5.945 2.986 -8.773 1.00 0.49 C ATOM 400 OG1 THR A2073 -4.908 3.973 -8.853 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.120 2.327 -10.132 1.00 0.58 C ATOM 0 H THR A2073 -6.320 3.960 -6.455 1.00 0.36 H new ATOM 0 HA THR A2073 -7.547 4.398 -9.037 1.00 0.40 H new ATOM 0 HB THR A2073 -5.673 2.218 -8.049 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.592 4.190 -7.951 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.179 1.869 -10.438 1.00 0.58 H new ATOM 0 HG22 THR A2073 -6.893 1.561 -10.068 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.414 3.078 -10.865 1.00 0.58 H new ATOM 409 N VAL A2074 -8.390 1.880 -7.081 1.00 0.20 N ATOM 410 CA VAL A2074 -9.368 0.813 -6.884 1.00 0.22 C ATOM 411 C VAL A2074 -10.760 1.410 -6.685 1.00 0.27 C ATOM 412 O VAL A2074 -11.752 0.901 -7.207 1.00 0.41 O ATOM 413 CB VAL A2074 -8.995 -0.113 -5.689 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.499 -0.196 -5.538 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.604 0.336 -4.377 1.00 0.72 C ATOM 0 H VAL A2074 -7.753 2.021 -6.297 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.365 0.194 -7.781 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.408 -1.094 -5.923 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.254 -0.847 -4.699 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.063 -0.601 -6.451 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.096 0.800 -5.355 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.307 -0.350 -3.584 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.254 1.340 -4.138 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.691 0.342 -4.463 1.00 0.72 H new ATOM 425 N LEU A2075 -10.815 2.501 -5.935 1.00 0.27 N ATOM 426 CA LEU A2075 -12.068 3.211 -5.702 1.00 0.37 C ATOM 427 C LEU A2075 -12.348 4.208 -6.821 1.00 0.42 C ATOM 428 O LEU A2075 -11.462 4.535 -7.612 1.00 1.24 O ATOM 429 CB LEU A2075 -12.028 3.934 -4.351 1.00 0.44 C ATOM 430 CG LEU A2075 -11.825 3.026 -3.138 1.00 0.51 C ATOM 431 CD1 LEU A2075 -11.938 3.820 -1.848 1.00 0.89 C ATOM 432 CD2 LEU A2075 -12.827 1.885 -3.157 1.00 1.04 C ATOM 0 H LEU A2075 -10.005 2.916 -5.475 1.00 0.27 H new ATOM 0 HA LEU A2075 -12.874 2.477 -5.688 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.224 4.670 -4.374 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -12.960 4.484 -4.222 1.00 0.44 H new ATOM 0 HG LEU A2075 -10.822 2.603 -3.188 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -11.790 3.155 -0.997 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.178 4.601 -1.834 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -12.927 4.274 -1.786 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.669 1.248 -2.287 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -13.839 2.289 -3.132 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.693 1.298 -4.066 1.00 1.04 H new ATOM 444 N GLY A2076 -13.582 4.695 -6.872 1.00 1.16 N ATOM 445 CA GLY A2076 -14.001 5.586 -7.940 1.00 1.30 C ATOM 446 C GLY A2076 -13.677 7.039 -7.657 1.00 0.86 C ATOM 447 O GLY A2076 -14.496 7.929 -7.895 1.00 1.11 O ATOM 0 H GLY A2076 -14.307 4.487 -6.186 1.00 1.16 H new ATOM 0 HA2 GLY A2076 -13.516 5.285 -8.869 1.00 1.30 H new ATOM 0 HA3 GLY A2076 -15.075 5.482 -8.093 1.00 1.30 H new ATOM 451 N HIS A2077 -12.484 7.272 -7.145 1.00 0.88 N ATOM 452 CA HIS A2077 -11.991 8.615 -6.883 1.00 0.79 C ATOM 453 C HIS A2077 -10.473 8.550 -6.815 1.00 1.18 C ATOM 454 O HIS A2077 -9.918 7.818 -6.001 1.00 2.09 O ATOM 455 CB HIS A2077 -12.580 9.191 -5.574 1.00 1.03 C ATOM 456 CG HIS A2077 -12.057 8.546 -4.321 1.00 0.93 C ATOM 457 ND1 HIS A2077 -10.911 8.969 -3.685 1.00 1.17 N ATOM 458 CD2 HIS A2077 -12.498 7.479 -3.620 1.00 0.89 C ATOM 459 CE1 HIS A2077 -10.661 8.186 -2.661 1.00 1.04 C ATOM 460 NE2 HIS A2077 -11.612 7.271 -2.587 1.00 0.92 N ATOM 0 H HIS A2077 -11.825 6.534 -6.897 1.00 0.88 H new ATOM 0 HA HIS A2077 -12.305 9.284 -7.684 1.00 0.79 H new ATOM 0 HB2 HIS A2077 -12.368 10.259 -5.534 1.00 1.03 H new ATOM 0 HB3 HIS A2077 -13.664 9.082 -5.599 1.00 1.03 H new ATOM 0 HD1 HIS A2077 -10.343 9.768 -3.966 1.00 1.17 H new ATOM 0 HD2 HIS A2077 -13.383 6.896 -3.831 1.00 0.89 H new ATOM 0 HE1 HIS A2077 -9.819 8.275 -1.991 1.00 1.04 H new ATOM 469 N HIS A2078 -9.791 9.277 -7.675 1.00 1.15 N ATOM 470 CA HIS A2078 -8.351 9.152 -7.733 1.00 1.82 C ATOM 471 C HIS A2078 -7.655 10.499 -7.585 1.00 1.20 C ATOM 472 O HIS A2078 -7.078 11.043 -8.525 1.00 1.46 O ATOM 473 CB HIS A2078 -7.940 8.403 -9.007 1.00 2.98 C ATOM 474 CG HIS A2078 -6.463 8.244 -9.210 1.00 4.08 C ATOM 475 ND1 HIS A2078 -5.754 8.945 -10.157 1.00 5.04 N ATOM 476 CD2 HIS A2078 -5.573 7.428 -8.607 1.00 4.50 C ATOM 477 CE1 HIS A2078 -4.490 8.565 -10.130 1.00 5.96 C ATOM 478 NE2 HIS A2078 -4.350 7.643 -9.196 1.00 5.67 N ATOM 0 H HIS A2078 -10.199 9.945 -8.329 1.00 1.15 H new ATOM 0 HA HIS A2078 -8.018 8.559 -6.881 1.00 1.82 H new ATOM 0 HB2 HIS A2078 -8.396 7.413 -8.990 1.00 2.98 H new ATOM 0 HB3 HIS A2078 -8.353 8.929 -9.867 1.00 2.98 H new ATOM 0 HD2 HIS A2078 -5.783 6.733 -7.808 1.00 4.50 H new ATOM 0 HE1 HIS A2078 -3.703 8.945 -10.765 1.00 5.96 H new ATOM 0 HE2 HIS A2078 -3.480 7.169 -8.952 1.00 5.67 H new ATOM 487 N THR A2079 -7.756 11.039 -6.385 1.00 1.12 N ATOM 488 CA THR A2079 -6.932 12.150 -5.964 1.00 0.78 C ATOM 489 C THR A2079 -6.167 11.729 -4.713 1.00 0.67 C ATOM 490 O THR A2079 -6.694 11.796 -3.601 1.00 0.86 O ATOM 491 CB THR A2079 -7.764 13.409 -5.663 1.00 1.25 C ATOM 492 OG1 THR A2079 -8.707 13.640 -6.723 1.00 1.52 O ATOM 493 CG2 THR A2079 -6.858 14.617 -5.512 1.00 1.42 C ATOM 0 H THR A2079 -8.414 10.717 -5.675 1.00 1.12 H new ATOM 0 HA THR A2079 -6.250 12.403 -6.775 1.00 0.78 H new ATOM 0 HB THR A2079 -8.304 13.254 -4.729 1.00 1.25 H new ATOM 0 HG1 THR A2079 -9.234 14.442 -6.523 1.00 1.52 H new ATOM 0 HG21 THR A2079 -7.461 15.500 -5.299 1.00 1.42 H new ATOM 0 HG22 THR A2079 -6.160 14.448 -4.692 1.00 1.42 H new ATOM 0 HG23 THR A2079 -6.301 14.772 -6.436 1.00 1.42 H new ATOM 501 N PRO A2080 -4.920 11.260 -4.879 1.00 0.48 N ATOM 502 CA PRO A2080 -4.119 10.700 -3.782 1.00 0.48 C ATOM 503 C PRO A2080 -3.843 11.729 -2.695 1.00 0.69 C ATOM 504 O PRO A2080 -3.520 11.385 -1.556 1.00 0.70 O ATOM 505 CB PRO A2080 -2.818 10.267 -4.465 1.00 0.56 C ATOM 506 CG PRO A2080 -3.164 10.171 -5.910 1.00 0.56 C ATOM 507 CD PRO A2080 -4.179 11.247 -6.147 1.00 0.50 C ATOM 0 HA PRO A2080 -4.632 9.882 -3.277 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.022 10.992 -4.296 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.466 9.311 -4.078 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -2.283 10.317 -6.536 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -3.569 9.188 -6.153 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -3.711 12.209 -6.355 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -4.826 11.017 -6.994 1.00 0.50 H new ATOM 515 N GLU A2081 -3.993 12.991 -3.061 1.00 0.93 N ATOM 516 CA GLU A2081 -3.857 14.096 -2.155 1.00 1.22 C ATOM 517 C GLU A2081 -4.922 14.043 -1.059 1.00 1.21 C ATOM 518 O GLU A2081 -4.705 14.510 0.060 1.00 1.32 O ATOM 519 CB GLU A2081 -3.994 15.371 -2.973 1.00 1.52 C ATOM 520 CG GLU A2081 -4.029 16.610 -2.139 1.00 2.12 C ATOM 521 CD GLU A2081 -4.083 17.873 -2.966 1.00 2.46 C ATOM 522 OE1 GLU A2081 -3.019 18.340 -3.420 1.00 2.53 O ATOM 523 OE2 GLU A2081 -5.194 18.412 -3.166 1.00 2.96 O ATOM 0 H GLU A2081 -4.217 13.271 -4.016 1.00 0.93 H new ATOM 0 HA GLU A2081 -2.888 14.059 -1.658 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -3.161 15.436 -3.673 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -4.906 15.316 -3.568 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -4.897 16.575 -1.481 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -3.146 16.637 -1.500 1.00 2.12 H new ATOM 530 N SER A2082 -6.058 13.444 -1.386 1.00 1.13 N ATOM 531 CA SER A2082 -7.197 13.419 -0.486 1.00 1.23 C ATOM 532 C SER A2082 -7.214 12.134 0.348 1.00 0.99 C ATOM 533 O SER A2082 -8.093 11.935 1.188 1.00 1.06 O ATOM 534 CB SER A2082 -8.488 13.562 -1.302 1.00 1.44 C ATOM 535 OG SER A2082 -9.631 13.661 -0.468 1.00 1.70 O ATOM 0 H SER A2082 -6.214 12.967 -2.274 1.00 1.13 H new ATOM 0 HA SER A2082 -7.119 14.254 0.210 1.00 1.23 H new ATOM 0 HB2 SER A2082 -8.422 14.447 -1.934 1.00 1.44 H new ATOM 0 HB3 SER A2082 -8.595 12.704 -1.965 1.00 1.44 H new ATOM 0 HG SER A2082 -9.506 13.100 0.326 1.00 1.70 H new ATOM 541 N ILE A2083 -6.234 11.268 0.125 1.00 0.76 N ATOM 542 CA ILE A2083 -6.139 10.022 0.874 1.00 0.55 C ATOM 543 C ILE A2083 -5.544 10.284 2.252 1.00 0.43 C ATOM 544 O ILE A2083 -4.330 10.442 2.391 1.00 0.46 O ATOM 545 CB ILE A2083 -5.258 8.987 0.150 1.00 0.45 C ATOM 546 CG1 ILE A2083 -5.644 8.879 -1.324 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.361 7.632 0.842 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.887 8.074 -1.572 1.00 0.47 C ATOM 0 H ILE A2083 -5.496 11.405 -0.566 1.00 0.76 H new ATOM 0 HA ILE A2083 -7.149 9.622 0.964 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.221 9.321 0.198 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -5.787 9.882 -1.726 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -4.817 8.430 -1.874 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -4.734 6.909 0.321 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.026 7.725 1.875 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.397 7.293 0.825 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.094 8.045 -2.642 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -6.743 7.059 -1.202 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -7.728 8.533 -1.052 1.00 0.47 H new ATOM 560 N SER A2084 -6.393 10.344 3.263 1.00 0.38 N ATOM 561 CA SER A2084 -5.928 10.604 4.614 1.00 0.32 C ATOM 562 C SER A2084 -5.339 9.343 5.237 1.00 0.29 C ATOM 563 O SER A2084 -5.997 8.308 5.322 1.00 0.31 O ATOM 564 CB SER A2084 -7.064 11.131 5.480 1.00 0.36 C ATOM 565 OG SER A2084 -7.676 12.267 4.884 1.00 0.42 O ATOM 0 H SER A2084 -7.401 10.217 3.175 1.00 0.38 H new ATOM 0 HA SER A2084 -5.147 11.362 4.560 1.00 0.32 H new ATOM 0 HB2 SER A2084 -7.808 10.348 5.626 1.00 0.36 H new ATOM 0 HB3 SER A2084 -6.682 11.395 6.466 1.00 0.36 H new ATOM 0 HG SER A2084 -8.403 12.586 5.458 1.00 0.42 H new ATOM 571 N PRO A2085 -4.080 9.434 5.686 1.00 0.29 N ATOM 572 CA PRO A2085 -3.330 8.298 6.245 1.00 0.28 C ATOM 573 C PRO A2085 -3.935 7.742 7.530 1.00 0.28 C ATOM 574 O PRO A2085 -3.855 6.540 7.789 1.00 0.33 O ATOM 575 CB PRO A2085 -1.956 8.899 6.539 1.00 0.32 C ATOM 576 CG PRO A2085 -2.223 10.354 6.704 1.00 0.36 C ATOM 577 CD PRO A2085 -3.271 10.666 5.686 1.00 0.36 C ATOM 0 HA PRO A2085 -3.322 7.454 5.555 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -1.518 8.470 7.440 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -1.257 8.712 5.724 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -2.570 10.581 7.712 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -1.321 10.943 6.537 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -3.860 11.540 5.963 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -2.839 10.870 4.706 1.00 0.36 H new ATOM 585 N ALA A2086 -4.524 8.620 8.333 1.00 0.30 N ATOM 586 CA ALA A2086 -5.077 8.227 9.624 1.00 0.36 C ATOM 587 C ALA A2086 -6.384 7.456 9.470 1.00 0.30 C ATOM 588 O ALA A2086 -6.777 6.707 10.365 1.00 0.28 O ATOM 589 CB ALA A2086 -5.287 9.447 10.505 1.00 0.47 C ATOM 0 H ALA A2086 -4.631 9.610 8.113 1.00 0.30 H new ATOM 0 HA ALA A2086 -4.356 7.563 10.100 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -5.700 9.136 11.465 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -4.333 9.948 10.666 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -5.979 10.133 10.017 1.00 0.47 H new ATOM 595 N THR A2087 -7.049 7.632 8.338 1.00 0.32 N ATOM 596 CA THR A2087 -8.324 6.978 8.105 1.00 0.28 C ATOM 597 C THR A2087 -8.118 5.515 7.721 1.00 0.24 C ATOM 598 O THR A2087 -7.090 5.142 7.155 1.00 0.28 O ATOM 599 CB THR A2087 -9.111 7.682 6.990 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.925 9.100 7.086 1.00 0.39 O ATOM 601 CG2 THR A2087 -10.595 7.361 7.084 1.00 0.34 C ATOM 0 H THR A2087 -6.727 8.221 7.570 1.00 0.32 H new ATOM 0 HA THR A2087 -8.893 7.034 9.033 1.00 0.28 H new ATOM 0 HB THR A2087 -8.737 7.323 6.031 1.00 0.32 H new ATOM 0 HG1 THR A2087 -9.558 9.554 6.491 1.00 0.39 H new ATOM 0 HG21 THR A2087 -11.129 7.872 6.283 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.741 6.285 6.989 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.979 7.696 8.048 1.00 0.34 H new ATOM 609 N ALA A2088 -9.108 4.703 8.027 1.00 0.23 N ATOM 610 CA ALA A2088 -9.070 3.282 7.725 1.00 0.25 C ATOM 611 C ALA A2088 -9.687 3.037 6.363 1.00 0.22 C ATOM 612 O ALA A2088 -10.676 3.672 6.010 1.00 0.25 O ATOM 613 CB ALA A2088 -9.832 2.504 8.781 1.00 0.32 C ATOM 0 H ALA A2088 -9.963 5.007 8.492 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.033 2.946 7.719 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -9.797 1.440 8.545 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.378 2.674 9.757 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.870 2.838 8.801 1.00 0.32 H new ATOM 619 N PHE A2089 -9.108 2.110 5.603 1.00 0.21 N ATOM 620 CA PHE A2089 -9.621 1.783 4.270 1.00 0.20 C ATOM 621 C PHE A2089 -11.091 1.395 4.318 1.00 0.24 C ATOM 622 O PHE A2089 -11.824 1.610 3.356 1.00 0.26 O ATOM 623 CB PHE A2089 -8.811 0.665 3.618 1.00 0.21 C ATOM 624 CG PHE A2089 -7.526 1.142 3.009 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.505 2.231 2.151 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.340 0.505 3.299 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.320 2.671 1.602 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.153 0.939 2.750 1.00 0.48 C ATOM 629 CZ PHE A2089 -5.144 2.024 1.902 1.00 0.34 C ATOM 0 H PHE A2089 -8.287 1.573 5.883 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.520 2.683 3.664 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.590 -0.098 4.365 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.416 0.189 2.846 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.427 2.740 1.910 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.340 -0.345 3.965 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -6.315 3.522 0.937 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.231 0.429 2.985 1.00 0.48 H new ATOM 0 HZ PHE A2089 -4.214 2.367 1.473 1.00 0.34 H new ATOM 639 N LYS A2090 -11.516 0.846 5.450 1.00 0.30 N ATOM 640 CA LYS A2090 -12.891 0.498 5.670 1.00 0.40 C ATOM 641 C LYS A2090 -13.790 1.718 5.517 1.00 0.37 C ATOM 642 O LYS A2090 -14.925 1.623 5.051 1.00 0.47 O ATOM 643 CB LYS A2090 -13.008 -0.066 7.057 1.00 0.55 C ATOM 644 CG LYS A2090 -12.212 -1.332 7.231 1.00 1.19 C ATOM 645 CD LYS A2090 -11.438 -1.290 8.520 1.00 1.79 C ATOM 646 CE LYS A2090 -12.364 -1.297 9.725 1.00 2.14 C ATOM 647 NZ LYS A2090 -11.613 -1.359 11.007 1.00 2.91 N ATOM 0 H LYS A2090 -10.903 0.634 6.237 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.210 -0.238 4.932 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.667 0.677 7.778 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -14.057 -0.266 7.278 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -12.880 -2.193 7.228 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -11.528 -1.457 6.392 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -10.766 -2.147 8.571 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -10.816 -0.396 8.543 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -12.983 -0.400 9.711 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -13.038 -2.151 9.659 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -12.283 -1.362 11.802 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -11.041 -2.228 11.033 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -10.988 -0.531 11.084 1.00 2.91 H new ATOM 661 N ASP A2091 -13.256 2.866 5.910 1.00 0.33 N ATOM 662 CA ASP A2091 -13.983 4.121 5.832 1.00 0.35 C ATOM 663 C ASP A2091 -13.746 4.815 4.489 1.00 0.33 C ATOM 664 O ASP A2091 -14.612 5.540 3.998 1.00 0.39 O ATOM 665 CB ASP A2091 -13.570 5.046 6.978 1.00 0.38 C ATOM 666 CG ASP A2091 -14.408 6.310 7.028 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.893 7.379 6.642 1.00 1.88 O ATOM 668 OD2 ASP A2091 -15.581 6.242 7.449 1.00 1.04 O ATOM 0 H ASP A2091 -12.313 2.952 6.289 1.00 0.33 H new ATOM 0 HA ASP A2091 -15.046 3.898 5.918 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.664 4.513 7.924 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -12.519 5.313 6.866 1.00 0.38 H new ATOM 673 N LEU A2092 -12.574 4.587 3.887 1.00 0.30 N ATOM 674 CA LEU A2092 -12.253 5.205 2.601 1.00 0.32 C ATOM 675 C LEU A2092 -13.171 4.698 1.492 1.00 0.30 C ATOM 676 O LEU A2092 -13.347 5.367 0.477 1.00 0.36 O ATOM 677 CB LEU A2092 -10.794 4.938 2.190 1.00 0.34 C ATOM 678 CG LEU A2092 -9.729 5.919 2.711 1.00 0.35 C ATOM 679 CD1 LEU A2092 -10.254 7.343 2.744 1.00 0.73 C ATOM 680 CD2 LEU A2092 -9.217 5.507 4.076 1.00 0.61 C ATOM 0 H LEU A2092 -11.842 3.986 4.266 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.400 6.277 2.733 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.525 3.937 2.527 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.745 4.932 1.101 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.893 5.885 2.013 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.476 8.009 3.117 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.541 7.648 1.738 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -11.122 7.396 3.401 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.466 6.222 4.414 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -10.045 5.488 4.785 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.771 4.515 4.013 1.00 0.61 H new ATOM 692 N GLY A2093 -13.762 3.528 1.687 1.00 0.26 N ATOM 693 CA GLY A2093 -14.651 2.979 0.678 1.00 0.26 C ATOM 694 C GLY A2093 -14.231 1.591 0.256 1.00 0.22 C ATOM 695 O GLY A2093 -14.878 0.956 -0.578 1.00 0.27 O ATOM 0 H GLY A2093 -13.644 2.951 2.520 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.668 2.948 1.068 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.663 3.635 -0.192 1.00 0.26 H new ATOM 699 N ILE A2094 -13.138 1.130 0.834 1.00 0.22 N ATOM 700 CA ILE A2094 -12.600 -0.184 0.546 1.00 0.19 C ATOM 701 C ILE A2094 -13.475 -1.283 1.119 1.00 0.18 C ATOM 702 O ILE A2094 -13.810 -1.273 2.303 1.00 0.22 O ATOM 703 CB ILE A2094 -11.180 -0.310 1.126 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.246 0.665 0.420 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.652 -1.737 1.016 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.031 0.337 -1.036 1.00 0.28 C ATOM 0 H ILE A2094 -12.597 1.659 1.518 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.571 -0.298 -0.538 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.222 -0.062 2.186 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.654 1.672 0.502 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.283 0.669 0.930 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.647 -1.787 1.436 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.309 -2.411 1.566 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.622 -2.034 -0.032 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.356 1.070 -1.478 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.594 -0.658 -1.124 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -10.987 0.361 -1.559 1.00 0.28 H new ATOM 718 N ASP A2095 -13.856 -2.211 0.263 1.00 0.19 N ATOM 719 CA ASP A2095 -14.523 -3.429 0.695 1.00 0.26 C ATOM 720 C ASP A2095 -13.543 -4.570 0.545 1.00 0.21 C ATOM 721 O ASP A2095 -12.373 -4.330 0.265 1.00 0.23 O ATOM 722 CB ASP A2095 -15.775 -3.722 -0.138 1.00 0.40 C ATOM 723 CG ASP A2095 -16.854 -2.667 0.019 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.507 -2.623 1.082 1.00 0.94 O ATOM 725 OD2 ASP A2095 -17.050 -1.868 -0.921 1.00 1.07 O ATOM 0 H ASP A2095 -13.714 -2.146 -0.745 1.00 0.19 H new ATOM 0 HA ASP A2095 -14.842 -3.309 1.730 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.496 -3.794 -1.189 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.179 -4.692 0.152 1.00 0.40 H new ATOM 730 N SER A2096 -13.986 -5.803 0.692 1.00 0.30 N ATOM 731 CA SER A2096 -13.065 -6.901 0.460 1.00 0.35 C ATOM 732 C SER A2096 -12.818 -7.048 -1.034 1.00 0.30 C ATOM 733 O SER A2096 -11.796 -7.586 -1.464 1.00 0.38 O ATOM 734 CB SER A2096 -13.591 -8.205 1.052 1.00 0.51 C ATOM 735 OG SER A2096 -15.002 -8.102 1.233 1.00 0.85 O ATOM 0 H SER A2096 -14.935 -6.065 0.959 1.00 0.30 H new ATOM 0 HA SER A2096 -12.123 -6.676 0.961 1.00 0.35 H new ATOM 0 HB2 SER A2096 -13.357 -9.039 0.391 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.104 -8.408 2.006 1.00 0.51 H new ATOM 740 N LEU A2097 -13.759 -6.528 -1.808 1.00 0.29 N ATOM 741 CA LEU A2097 -13.675 -6.541 -3.260 1.00 0.35 C ATOM 742 C LEU A2097 -12.497 -5.699 -3.723 1.00 0.26 C ATOM 743 O LEU A2097 -11.613 -6.165 -4.433 1.00 0.35 O ATOM 744 CB LEU A2097 -14.967 -5.986 -3.856 1.00 0.50 C ATOM 745 CG LEU A2097 -16.233 -6.567 -3.267 1.00 1.06 C ATOM 746 CD1 LEU A2097 -17.466 -5.894 -3.844 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.264 -8.047 -3.516 1.00 1.65 C ATOM 0 H LEU A2097 -14.603 -6.085 -1.446 1.00 0.29 H new ATOM 0 HA LEU A2097 -13.532 -7.568 -3.596 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.980 -4.905 -3.717 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.964 -6.170 -4.930 1.00 0.50 H new ATOM 0 HG LEU A2097 -16.238 -6.385 -2.192 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -18.360 -6.333 -3.402 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -17.436 -4.828 -3.621 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -17.487 -6.038 -4.924 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.176 -8.468 -3.092 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.242 -8.236 -4.589 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -15.397 -8.513 -3.047 1.00 1.65 H new ATOM 759 N THR A2098 -12.489 -4.453 -3.291 1.00 0.19 N ATOM 760 CA THR A2098 -11.445 -3.522 -3.668 1.00 0.16 C ATOM 761 C THR A2098 -10.191 -3.692 -2.816 1.00 0.15 C ATOM 762 O THR A2098 -9.131 -3.158 -3.146 1.00 0.19 O ATOM 763 CB THR A2098 -11.956 -2.079 -3.589 1.00 0.21 C ATOM 764 OG1 THR A2098 -12.914 -1.954 -2.526 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.587 -1.683 -4.911 1.00 0.27 C ATOM 0 H THR A2098 -13.200 -4.060 -2.674 1.00 0.19 H new ATOM 0 HA THR A2098 -11.170 -3.744 -4.699 1.00 0.16 H new ATOM 0 HB THR A2098 -11.117 -1.414 -3.384 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.234 -1.029 -2.481 1.00 0.26 H new ATOM 0 HG21 THR A2098 -12.948 -0.657 -4.849 1.00 0.27 H new ATOM 0 HG22 THR A2098 -11.845 -1.759 -5.706 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.422 -2.349 -5.130 1.00 0.27 H new ATOM 773 N ALA A2099 -10.311 -4.447 -1.730 1.00 0.15 N ATOM 774 CA ALA A2099 -9.165 -4.763 -0.894 1.00 0.19 C ATOM 775 C ALA A2099 -8.128 -5.547 -1.684 1.00 0.22 C ATOM 776 O ALA A2099 -6.930 -5.274 -1.599 1.00 0.29 O ATOM 777 CB ALA A2099 -9.598 -5.548 0.333 1.00 0.21 C ATOM 0 H ALA A2099 -11.191 -4.850 -1.410 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.715 -3.827 -0.564 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.726 -5.775 0.946 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.305 -4.955 0.913 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -10.074 -6.478 0.021 1.00 0.21 H new ATOM 783 N LEU A2100 -8.592 -6.509 -2.472 1.00 0.22 N ATOM 784 CA LEU A2100 -7.690 -7.315 -3.277 1.00 0.27 C ATOM 785 C LEU A2100 -7.126 -6.490 -4.426 1.00 0.26 C ATOM 786 O LEU A2100 -5.945 -6.596 -4.746 1.00 0.29 O ATOM 787 CB LEU A2100 -8.380 -8.601 -3.772 1.00 0.31 C ATOM 788 CG LEU A2100 -9.732 -8.430 -4.473 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.554 -8.135 -5.955 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.589 -9.671 -4.280 1.00 0.40 C ATOM 0 H LEU A2100 -9.579 -6.747 -2.569 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.854 -7.629 -2.652 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.702 -9.108 -4.459 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.521 -9.262 -2.917 1.00 0.31 H new ATOM 0 HG LEU A2100 -10.238 -7.577 -4.020 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.532 -8.019 -6.423 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.982 -7.215 -6.077 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -9.020 -8.959 -6.429 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.546 -9.534 -4.784 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -10.077 -10.536 -4.702 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.759 -9.834 -3.216 1.00 0.40 H new ATOM 802 N GLU A2101 -7.965 -5.638 -5.011 1.00 0.24 N ATOM 803 CA GLU A2101 -7.544 -4.739 -6.080 1.00 0.26 C ATOM 804 C GLU A2101 -6.422 -3.823 -5.603 1.00 0.24 C ATOM 805 O GLU A2101 -5.474 -3.539 -6.340 1.00 0.27 O ATOM 806 CB GLU A2101 -8.740 -3.906 -6.535 1.00 0.29 C ATOM 807 CG GLU A2101 -9.890 -4.740 -7.062 1.00 0.35 C ATOM 808 CD GLU A2101 -9.687 -5.186 -8.497 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.338 -4.613 -9.398 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.872 -6.105 -8.736 1.00 0.56 O ATOM 0 H GLU A2101 -8.950 -5.552 -4.759 1.00 0.24 H new ATOM 0 HA GLU A2101 -7.169 -5.331 -6.915 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.092 -3.303 -5.698 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.416 -3.214 -7.313 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -10.016 -5.618 -6.428 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.812 -4.163 -6.993 1.00 0.35 H new ATOM 817 N LEU A2102 -6.533 -3.361 -4.367 1.00 0.21 N ATOM 818 CA LEU A2102 -5.500 -2.542 -3.768 1.00 0.22 C ATOM 819 C LEU A2102 -4.195 -3.322 -3.668 1.00 0.24 C ATOM 820 O LEU A2102 -3.144 -2.838 -4.092 1.00 0.27 O ATOM 821 CB LEU A2102 -5.944 -2.073 -2.392 1.00 0.24 C ATOM 822 CG LEU A2102 -5.659 -0.606 -2.088 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.253 -0.239 -0.756 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.169 -0.323 -2.089 1.00 0.57 C ATOM 0 H LEU A2102 -7.333 -3.542 -3.760 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.331 -1.670 -4.400 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.015 -2.247 -2.294 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.451 -2.687 -1.639 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.116 0.000 -2.870 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -6.047 0.810 -0.542 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.331 -0.399 -0.782 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.812 -0.861 0.023 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.999 0.731 -1.869 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.682 -0.935 -1.330 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.754 -0.561 -3.068 1.00 0.57 H new ATOM 836 N ARG A2103 -4.269 -4.538 -3.122 1.00 0.26 N ATOM 837 CA ARG A2103 -3.098 -5.408 -3.034 1.00 0.34 C ATOM 838 C ARG A2103 -2.501 -5.605 -4.423 1.00 0.35 C ATOM 839 O ARG A2103 -1.284 -5.550 -4.609 1.00 0.43 O ATOM 840 CB ARG A2103 -3.461 -6.780 -2.465 1.00 0.48 C ATOM 841 CG ARG A2103 -4.263 -6.750 -1.176 1.00 0.94 C ATOM 842 CD ARG A2103 -4.404 -8.150 -0.588 1.00 0.77 C ATOM 843 NE ARG A2103 -4.817 -9.124 -1.604 1.00 0.94 N ATOM 844 CZ ARG A2103 -5.844 -9.969 -1.485 1.00 1.48 C ATOM 845 NH1 ARG A2103 -6.622 -9.939 -0.411 1.00 2.43 N ATOM 846 NH2 ARG A2103 -6.105 -10.832 -2.457 1.00 1.60 N ATOM 0 H ARG A2103 -5.124 -4.939 -2.736 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.379 -4.929 -2.369 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -4.029 -7.329 -3.216 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -2.542 -7.339 -2.290 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -3.774 -6.096 -0.454 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -5.251 -6.331 -1.368 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -3.454 -8.459 -0.152 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -5.136 -8.134 0.220 1.00 0.77 H new ATOM 0 HE ARG A2103 -4.278 -9.159 -2.469 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -6.438 -9.266 0.333 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -7.404 -10.589 -0.329 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -5.522 -10.850 -3.294 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -6.889 -11.478 -2.368 1.00 1.60 H new ATOM 860 N ASN A2104 -3.388 -5.827 -5.389 1.00 0.33 N ATOM 861 CA ASN A2104 -3.013 -6.006 -6.787 1.00 0.38 C ATOM 862 C ASN A2104 -2.177 -4.837 -7.291 1.00 0.39 C ATOM 863 O ASN A2104 -1.186 -5.029 -7.992 1.00 0.48 O ATOM 864 CB ASN A2104 -4.272 -6.147 -7.652 1.00 0.39 C ATOM 865 CG ASN A2104 -5.011 -7.448 -7.409 1.00 0.43 C ATOM 866 OD1 ASN A2104 -4.416 -8.448 -7.008 1.00 0.47 O ATOM 867 ND2 ASN A2104 -6.308 -7.450 -7.667 1.00 0.44 N ATOM 0 H ASN A2104 -4.392 -5.888 -5.222 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.412 -6.913 -6.859 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.942 -5.311 -7.449 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.993 -6.084 -8.704 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.853 -8.302 -7.535 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.763 -6.599 -7.998 1.00 0.44 H new ATOM 874 N THR A2105 -2.575 -3.629 -6.923 1.00 0.33 N ATOM 875 CA THR A2105 -1.878 -2.431 -7.364 1.00 0.39 C ATOM 876 C THR A2105 -0.562 -2.246 -6.602 1.00 0.42 C ATOM 877 O THR A2105 0.472 -1.931 -7.196 1.00 0.51 O ATOM 878 CB THR A2105 -2.764 -1.185 -7.182 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.046 -1.410 -7.787 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.115 0.041 -7.810 1.00 0.51 C ATOM 0 H THR A2105 -3.378 -3.452 -6.319 1.00 0.33 H new ATOM 0 HA THR A2105 -1.652 -2.554 -8.423 1.00 0.39 H new ATOM 0 HB THR A2105 -2.886 -1.005 -6.114 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.536 -2.087 -7.274 1.00 0.46 H new ATOM 0 HG21 THR A2105 -2.761 0.908 -7.668 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.151 0.225 -7.336 1.00 0.51 H new ATOM 0 HG23 THR A2105 -1.968 -0.131 -8.876 1.00 0.51 H new ATOM 888 N LEU A2106 -0.606 -2.463 -5.291 1.00 0.42 N ATOM 889 CA LEU A2106 0.575 -2.312 -4.441 1.00 0.55 C ATOM 890 C LEU A2106 1.688 -3.249 -4.889 1.00 0.54 C ATOM 891 O LEU A2106 2.838 -2.837 -5.054 1.00 0.56 O ATOM 892 CB LEU A2106 0.221 -2.608 -2.981 1.00 0.74 C ATOM 893 CG LEU A2106 -0.870 -1.726 -2.377 1.00 0.44 C ATOM 894 CD1 LEU A2106 -1.232 -2.206 -0.981 1.00 1.13 C ATOM 895 CD2 LEU A2106 -0.421 -0.276 -2.339 1.00 0.81 C ATOM 0 H LEU A2106 -1.449 -2.745 -4.791 1.00 0.42 H new ATOM 0 HA LEU A2106 0.922 -1.282 -4.529 1.00 0.55 H new ATOM 0 HB2 LEU A2106 -0.094 -3.649 -2.906 1.00 0.74 H new ATOM 0 HB3 LEU A2106 1.123 -2.504 -2.378 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.757 -1.797 -3.007 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -2.011 -1.566 -0.567 1.00 1.13 H new ATOM 0 HD12 LEU A2106 -1.595 -3.232 -1.032 1.00 1.13 H new ATOM 0 HD13 LEU A2106 -0.350 -2.165 -0.342 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.210 0.338 -1.906 1.00 0.81 H new ATOM 0 HD22 LEU A2106 0.480 -0.190 -1.732 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -0.210 0.066 -3.352 1.00 0.81 H new ATOM 907 N THR A2107 1.332 -4.506 -5.091 1.00 0.56 N ATOM 908 CA THR A2107 2.286 -5.519 -5.490 1.00 0.62 C ATOM 909 C THR A2107 2.824 -5.232 -6.892 1.00 0.60 C ATOM 910 O THR A2107 4.012 -5.392 -7.159 1.00 0.64 O ATOM 911 CB THR A2107 1.616 -6.900 -5.472 1.00 0.69 C ATOM 912 OG1 THR A2107 0.902 -7.057 -4.244 1.00 0.73 O ATOM 913 CG2 THR A2107 2.635 -8.017 -5.620 1.00 0.81 C ATOM 0 H THR A2107 0.378 -4.849 -4.983 1.00 0.56 H new ATOM 0 HA THR A2107 3.118 -5.505 -4.786 1.00 0.62 H new ATOM 0 HB THR A2107 0.931 -6.961 -6.318 1.00 0.69 H new ATOM 0 HG1 THR A2107 -0.014 -6.727 -4.354 1.00 0.73 H new ATOM 0 HG21 THR A2107 2.124 -8.980 -5.603 1.00 0.81 H new ATOM 0 HG22 THR A2107 3.164 -7.904 -6.566 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.348 -7.970 -4.797 1.00 0.81 H new ATOM 921 N HIS A2108 1.935 -4.782 -7.773 1.00 0.58 N ATOM 922 CA HIS A2108 2.291 -4.465 -9.155 1.00 0.62 C ATOM 923 C HIS A2108 3.342 -3.356 -9.212 1.00 0.60 C ATOM 924 O HIS A2108 4.144 -3.292 -10.142 1.00 0.68 O ATOM 925 CB HIS A2108 1.028 -4.048 -9.923 1.00 0.68 C ATOM 926 CG HIS A2108 1.249 -3.692 -11.365 1.00 1.20 C ATOM 927 ND1 HIS A2108 1.147 -4.602 -12.394 1.00 1.74 N ATOM 928 CD2 HIS A2108 1.530 -2.503 -11.947 1.00 2.24 C ATOM 929 CE1 HIS A2108 1.356 -3.989 -13.543 1.00 2.48 C ATOM 930 NE2 HIS A2108 1.591 -2.713 -13.301 1.00 2.81 N ATOM 0 H HIS A2108 0.951 -4.627 -7.552 1.00 0.58 H new ATOM 0 HA HIS A2108 2.722 -5.352 -9.619 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.305 -4.862 -9.872 1.00 0.68 H new ATOM 0 HB3 HIS A2108 0.580 -3.192 -9.418 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.679 -1.562 -11.439 1.00 2.24 H new ATOM 0 HE1 HIS A2108 1.338 -4.453 -14.518 1.00 2.48 H new ATOM 0 HE2 HIS A2108 1.786 -2.001 -14.005 1.00 2.81 H new ATOM 939 N ASN A2109 3.328 -2.485 -8.216 1.00 0.57 N ATOM 940 CA ASN A2109 4.271 -1.377 -8.158 1.00 0.64 C ATOM 941 C ASN A2109 5.585 -1.808 -7.518 1.00 0.66 C ATOM 942 O ASN A2109 6.664 -1.449 -7.981 1.00 0.85 O ATOM 943 CB ASN A2109 3.680 -0.218 -7.352 1.00 0.82 C ATOM 944 CG ASN A2109 4.556 1.021 -7.382 1.00 1.61 C ATOM 945 OD1 ASN A2109 5.447 1.142 -6.412 1.00 1.85 O flip ATOM 946 ND2 ASN A2109 4.427 1.868 -8.266 1.00 2.60 N flip ATOM 0 H ASN A2109 2.673 -2.523 -7.435 1.00 0.57 H new ATOM 0 HA ASN A2109 4.464 -1.054 -9.181 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.694 0.029 -7.747 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.539 -0.534 -6.318 1.00 0.82 H new ATOM 0 HD21 ASN A2109 3.728 1.739 -8.998 1.00 2.60 H new ATOM 0 HD22 ASN A2109 5.019 2.699 -8.267 1.00 2.60 H new ATOM 953 N THR A2110 5.481 -2.587 -6.456 1.00 0.65 N ATOM 954 CA THR A2110 6.628 -2.893 -5.618 1.00 0.78 C ATOM 955 C THR A2110 7.386 -4.137 -6.081 1.00 0.81 C ATOM 956 O THR A2110 8.598 -4.240 -5.898 1.00 1.02 O ATOM 957 CB THR A2110 6.184 -3.097 -4.161 1.00 0.83 C ATOM 958 OG1 THR A2110 5.204 -4.142 -4.091 1.00 0.72 O ATOM 959 CG2 THR A2110 5.596 -1.817 -3.589 1.00 1.03 C ATOM 0 H THR A2110 4.610 -3.021 -6.152 1.00 0.65 H new ATOM 0 HA THR A2110 7.303 -2.040 -5.697 1.00 0.78 H new ATOM 0 HB THR A2110 7.060 -3.373 -3.574 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.326 -3.785 -4.340 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.289 -1.987 -2.557 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.346 -1.027 -3.619 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.730 -1.518 -4.180 1.00 1.03 H new ATOM 967 N GLY A2111 6.663 -5.085 -6.666 1.00 0.72 N ATOM 968 CA GLY A2111 7.261 -6.354 -7.039 1.00 0.86 C ATOM 969 C GLY A2111 7.353 -7.291 -5.850 1.00 0.88 C ATOM 970 O GLY A2111 7.845 -8.416 -5.959 1.00 1.05 O ATOM 0 H GLY A2111 5.672 -4.998 -6.889 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.669 -6.820 -7.827 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.257 -6.183 -7.448 1.00 0.86 H new ATOM 974 N LEU A2112 6.874 -6.813 -4.710 1.00 0.84 N ATOM 975 CA LEU A2112 6.923 -7.556 -3.462 1.00 0.92 C ATOM 976 C LEU A2112 5.705 -8.447 -3.313 1.00 0.80 C ATOM 977 O LEU A2112 4.576 -7.965 -3.293 1.00 0.97 O ATOM 978 CB LEU A2112 6.977 -6.573 -2.294 1.00 1.21 C ATOM 979 CG LEU A2112 8.135 -5.580 -2.336 1.00 1.05 C ATOM 980 CD1 LEU A2112 7.867 -4.419 -1.401 1.00 1.45 C ATOM 981 CD2 LEU A2112 9.433 -6.267 -1.962 1.00 1.34 C ATOM 0 H LEU A2112 6.439 -5.894 -4.626 1.00 0.84 H new ATOM 0 HA LEU A2112 7.813 -8.186 -3.467 1.00 0.92 H new ATOM 0 HB2 LEU A2112 6.041 -6.015 -2.266 1.00 1.21 H new ATOM 0 HB3 LEU A2112 7.038 -7.140 -1.365 1.00 1.21 H new ATOM 0 HG LEU A2112 8.225 -5.195 -3.352 1.00 1.05 H new ATOM 0 HD11 LEU A2112 8.702 -3.719 -1.442 1.00 1.45 H new ATOM 0 HD12 LEU A2112 6.952 -3.911 -1.705 1.00 1.45 H new ATOM 0 HD13 LEU A2112 7.754 -4.791 -0.382 1.00 1.45 H new ATOM 0 HD21 LEU A2112 10.250 -5.546 -1.997 1.00 1.34 H new ATOM 0 HD22 LEU A2112 9.352 -6.675 -0.955 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.633 -7.075 -2.666 1.00 1.34 H new ATOM 993 N ASP A2113 5.954 -9.745 -3.197 1.00 0.77 N ATOM 994 CA ASP A2113 4.899 -10.733 -3.003 1.00 0.77 C ATOM 995 C ASP A2113 4.033 -10.363 -1.801 1.00 0.92 C ATOM 996 O ASP A2113 4.543 -9.859 -0.797 1.00 1.14 O ATOM 997 CB ASP A2113 5.532 -12.105 -2.800 1.00 0.83 C ATOM 998 CG ASP A2113 4.537 -13.239 -2.927 1.00 0.91 C ATOM 999 OD1 ASP A2113 4.127 -13.803 -1.891 1.00 0.90 O ATOM 1000 OD2 ASP A2113 4.172 -13.582 -4.071 1.00 1.18 O ATOM 0 H ASP A2113 6.892 -10.143 -3.235 1.00 0.77 H new ATOM 0 HA ASP A2113 4.259 -10.755 -3.885 1.00 0.77 H new ATOM 0 HB2 ASP A2113 6.328 -12.244 -3.531 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.995 -12.143 -1.814 1.00 0.83 H new ATOM 1005 N LEU A2114 2.733 -10.595 -1.901 1.00 1.05 N ATOM 1006 CA LEU A2114 1.811 -10.126 -0.878 1.00 1.34 C ATOM 1007 C LEU A2114 0.849 -11.232 -0.411 1.00 1.00 C ATOM 1008 O LEU A2114 0.614 -12.209 -1.125 1.00 1.04 O ATOM 1009 CB LEU A2114 1.047 -8.884 -1.399 1.00 1.98 C ATOM 1010 CG LEU A2114 -0.117 -9.108 -2.391 1.00 2.33 C ATOM 1011 CD1 LEU A2114 0.231 -10.097 -3.496 1.00 2.71 C ATOM 1012 CD2 LEU A2114 -1.367 -9.534 -1.652 1.00 2.95 C ATOM 0 H LEU A2114 2.296 -11.100 -2.672 1.00 1.05 H new ATOM 0 HA LEU A2114 2.390 -9.841 0.000 1.00 1.34 H new ATOM 0 HB2 LEU A2114 0.651 -8.350 -0.535 1.00 1.98 H new ATOM 0 HB3 LEU A2114 1.771 -8.224 -1.878 1.00 1.98 H new ATOM 0 HG LEU A2114 -0.306 -8.154 -2.882 1.00 2.33 H new ATOM 0 HD11 LEU A2114 -0.624 -10.214 -4.162 1.00 2.71 H new ATOM 0 HD12 LEU A2114 1.084 -9.724 -4.063 1.00 2.71 H new ATOM 0 HD13 LEU A2114 0.482 -11.062 -3.055 1.00 2.71 H new ATOM 0 HD21 LEU A2114 -2.177 -9.687 -2.365 1.00 2.95 H new ATOM 0 HD22 LEU A2114 -1.174 -10.464 -1.116 1.00 2.95 H new ATOM 0 HD23 LEU A2114 -1.652 -8.758 -0.941 1.00 2.95 H new ATOM 1024 N PRO A2115 0.302 -11.092 0.813 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.671 -12.009 1.388 1.00 0.64 C ATOM 1026 C PRO A2115 -2.115 -11.553 1.152 1.00 0.57 C ATOM 1027 O PRO A2115 -2.397 -10.354 1.103 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.338 -11.944 2.880 1.00 0.76 C ATOM 1029 CG PRO A2115 0.341 -10.622 3.097 1.00 0.98 C ATOM 1030 CD PRO A2115 0.560 -9.994 1.742 1.00 1.10 C ATOM 0 HA PRO A2115 -0.613 -13.006 0.950 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.241 -12.022 3.485 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.313 -12.769 3.171 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.272 -9.975 3.724 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.291 -10.760 3.613 1.00 0.98 H new ATOM 0 HD2 PRO A2115 -0.118 -9.157 1.573 1.00 1.10 H new ATOM 0 HD3 PRO A2115 1.574 -9.609 1.637 1.00 1.10 H new ATOM 1038 N PRO A2116 -3.061 -12.500 1.046 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.491 -12.183 0.890 1.00 0.62 C ATOM 1040 C PRO A2116 -5.065 -11.477 2.124 1.00 0.58 C ATOM 1041 O PRO A2116 -6.191 -10.986 2.119 1.00 0.68 O ATOM 1042 CB PRO A2116 -5.145 -13.557 0.706 1.00 0.73 C ATOM 1043 CG PRO A2116 -4.182 -14.524 1.305 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.816 -13.952 1.056 1.00 0.63 C ATOM 0 HA PRO A2116 -4.669 -11.499 0.060 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -6.113 -13.604 1.205 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -5.319 -13.774 -0.348 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.365 -14.647 2.372 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -4.282 -15.509 0.849 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -2.111 -14.237 1.837 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.400 -14.298 0.110 1.00 0.63 H new ATOM 1052 N THR A2117 -4.259 -11.414 3.167 1.00 0.54 N ATOM 1053 CA THR A2117 -4.643 -10.803 4.427 1.00 0.59 C ATOM 1054 C THR A2117 -4.055 -9.400 4.544 1.00 0.50 C ATOM 1055 O THR A2117 -4.167 -8.755 5.580 1.00 0.54 O ATOM 1056 CB THR A2117 -4.178 -11.668 5.608 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.861 -12.176 5.343 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.144 -12.820 5.845 1.00 0.86 C ATOM 0 H THR A2117 -3.310 -11.789 3.164 1.00 0.54 H new ATOM 0 HA THR A2117 -5.730 -10.730 4.452 1.00 0.59 H new ATOM 0 HB THR A2117 -4.155 -11.051 6.507 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.565 -12.726 6.098 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.796 -13.420 6.686 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.135 -12.424 6.068 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.194 -13.442 4.952 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.399 -8.963 3.474 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.787 -7.635 3.394 1.00 0.45 C ATOM 1068 C LEU A2118 -3.699 -6.541 3.972 1.00 0.41 C ATOM 1069 O LEU A2118 -3.384 -5.939 5.001 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.468 -7.341 1.925 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.390 -6.299 1.648 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.943 -4.893 1.741 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.230 -6.487 2.596 1.00 0.65 C ATOM 0 H LEU A2118 -3.274 -9.522 2.630 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.876 -7.631 3.993 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -2.167 -8.275 1.450 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.387 -7.016 1.437 1.00 0.49 H new ATOM 0 HG LEU A2118 -1.034 -6.441 0.628 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -1.148 -4.175 1.538 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.741 -4.767 1.010 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.338 -4.723 2.742 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.534 -5.738 2.389 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.578 -6.377 3.623 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.193 -7.483 2.461 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.828 -6.297 3.312 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.772 -5.271 3.755 1.00 0.40 C ATOM 1087 C ILE A2119 -6.569 -5.772 4.957 1.00 0.42 C ATOM 1088 O ILE A2119 -7.115 -4.994 5.732 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.742 -4.874 2.616 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.961 -4.493 1.354 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.642 -3.719 3.040 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -5.101 -3.258 1.514 1.00 0.33 C ATOM 0 H ILE A2119 -5.113 -6.795 2.469 1.00 0.38 H new ATOM 0 HA ILE A2119 -5.198 -4.390 4.042 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.371 -5.737 2.397 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.326 -5.331 1.065 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.665 -4.330 0.538 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.313 -3.461 2.221 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -8.228 -4.015 3.910 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -7.029 -2.854 3.293 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.580 -3.054 0.579 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.731 -2.407 1.772 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.371 -3.423 2.307 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.613 -7.088 5.098 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.280 -7.739 6.221 1.00 0.53 C ATOM 1106 C PHE A2120 -6.635 -7.308 7.541 1.00 0.52 C ATOM 1107 O PHE A2120 -7.319 -6.892 8.478 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.163 -9.259 6.030 1.00 0.61 C ATOM 1109 CG PHE A2120 -7.855 -10.112 7.057 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -8.987 -10.846 6.738 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.382 -10.153 8.355 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -9.627 -11.609 7.692 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.016 -10.917 9.316 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.126 -11.726 8.927 1.00 3.43 C ATOM 0 H PHE A2120 -6.187 -7.738 4.437 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.331 -7.451 6.256 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -7.563 -9.513 5.048 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -6.105 -9.523 6.022 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.373 -10.820 5.730 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -6.506 -9.581 8.621 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -10.545 -12.119 7.439 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -7.678 -10.902 10.342 1.00 3.49 H new ATOM 0 HZ PHE A2120 -9.558 -12.428 9.625 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.314 -7.403 7.590 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.556 -7.092 8.791 1.00 0.49 C ATOM 1126 C ASP A2121 -4.307 -5.600 8.939 1.00 0.45 C ATOM 1127 O ASP A2121 -4.467 -5.045 10.025 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.212 -7.820 8.774 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.305 -9.251 9.257 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -3.361 -9.462 10.487 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -3.293 -10.171 8.414 1.00 2.00 O ATOM 0 H ASP A2121 -4.740 -7.697 6.800 1.00 0.48 H new ATOM 0 HA ASP A2121 -5.154 -7.426 9.639 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.813 -7.811 7.760 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.504 -7.277 9.400 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.910 -4.945 7.854 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.475 -3.552 7.945 1.00 0.37 C ATOM 1138 C HIS A2122 -4.236 -2.657 6.983 1.00 0.34 C ATOM 1139 O HIS A2122 -3.641 -2.157 6.030 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.973 -3.402 7.617 1.00 0.35 C ATOM 1141 CG HIS A2122 -1.141 -4.612 7.899 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.637 -4.915 9.145 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.717 -5.602 7.072 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.059 -6.033 9.075 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.025 -6.468 7.830 1.00 0.63 N ATOM 0 H HIS A2122 -3.879 -5.345 6.916 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.672 -3.250 8.974 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.871 -3.147 6.562 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.574 -2.564 8.188 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.926 -5.690 6.016 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.570 -6.511 9.897 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.479 -7.314 7.487 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.539 -2.408 7.169 1.00 0.36 N ATOM 1155 CA PRO A2123 -6.189 -1.449 6.311 1.00 0.34 C ATOM 1156 C PRO A2123 -5.919 -0.033 6.805 1.00 0.32 C ATOM 1157 O PRO A2123 -6.521 0.432 7.771 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.669 -1.809 6.448 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.802 -2.460 7.791 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.441 -2.996 8.172 1.00 0.41 C ATOM 0 HA PRO A2123 -5.841 -1.478 5.278 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -8.297 -0.921 6.379 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.984 -2.484 5.652 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -8.153 -1.742 8.532 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.535 -3.266 7.756 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -6.163 -2.699 9.183 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -6.417 -4.085 8.142 1.00 0.41 H new ATOM 1168 N THR A2124 -5.021 0.644 6.102 1.00 0.27 N ATOM 1169 CA THR A2124 -4.666 2.035 6.355 1.00 0.23 C ATOM 1170 C THR A2124 -3.639 2.479 5.322 1.00 0.22 C ATOM 1171 O THR A2124 -2.773 1.683 4.958 1.00 0.26 O ATOM 1172 CB THR A2124 -4.082 2.257 7.766 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.683 1.008 8.341 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.084 2.947 8.673 1.00 0.29 C ATOM 0 H THR A2124 -4.507 0.233 5.323 1.00 0.27 H new ATOM 0 HA THR A2124 -5.582 2.622 6.284 1.00 0.23 H new ATOM 0 HB THR A2124 -3.209 2.902 7.668 1.00 0.31 H new ATOM 0 HG1 THR A2124 -3.463 1.139 9.287 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.644 3.090 9.660 1.00 0.29 H new ATOM 0 HG22 THR A2124 -5.350 3.916 8.251 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.979 2.332 8.761 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.693 3.719 4.835 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.698 4.215 3.882 1.00 0.18 C ATOM 1184 C PRO A2125 -1.288 4.207 4.481 1.00 0.17 C ATOM 1185 O PRO A2125 -0.378 3.559 3.958 1.00 0.20 O ATOM 1186 CB PRO A2125 -3.158 5.645 3.581 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.591 5.685 3.995 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.713 4.728 5.145 1.00 0.24 C ATOM 0 HA PRO A2125 -2.635 3.593 2.989 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.567 6.374 4.135 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -3.046 5.881 2.523 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.884 6.692 4.292 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -5.244 5.393 3.172 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.522 5.217 6.100 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.710 4.291 5.204 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.136 4.890 5.613 1.00 0.23 N ATOM 1197 CA HIS A2126 0.164 5.030 6.269 1.00 0.31 C ATOM 1198 C HIS A2126 0.747 3.680 6.692 1.00 0.29 C ATOM 1199 O HIS A2126 1.942 3.438 6.531 1.00 0.32 O ATOM 1200 CB HIS A2126 0.036 5.951 7.491 1.00 0.45 C ATOM 1201 CG HIS A2126 1.271 6.020 8.345 1.00 0.58 C ATOM 1202 ND1 HIS A2126 2.360 6.802 8.036 1.00 0.65 N ATOM 1203 CD2 HIS A2126 1.580 5.390 9.504 1.00 0.71 C ATOM 1204 CE1 HIS A2126 3.287 6.650 8.966 1.00 0.77 C ATOM 1205 NE2 HIS A2126 2.838 5.798 9.867 1.00 0.80 N ATOM 0 H HIS A2126 -1.901 5.358 6.098 1.00 0.23 H new ATOM 0 HA HIS A2126 0.850 5.469 5.545 1.00 0.31 H new ATOM 0 HB2 HIS A2126 -0.212 6.956 7.150 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -0.797 5.608 8.104 1.00 0.45 H new ATOM 0 HD2 HIS A2126 0.952 4.695 10.042 1.00 0.71 H new ATOM 0 HE1 HIS A2126 4.249 7.140 8.985 1.00 0.77 H new ATOM 0 HE2 HIS A2126 3.344 5.492 10.698 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.092 2.809 7.230 1.00 0.28 N ATOM 1215 CA ALA A2127 0.383 1.553 7.800 1.00 0.29 C ATOM 1216 C ALA A2127 0.894 0.600 6.725 1.00 0.26 C ATOM 1217 O ALA A2127 1.852 -0.139 6.950 1.00 0.30 O ATOM 1218 CB ALA A2127 -0.715 0.895 8.615 1.00 0.34 C ATOM 0 H ALA A2127 -1.101 2.945 7.285 1.00 0.28 H new ATOM 0 HA ALA A2127 1.222 1.785 8.456 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.346 -0.041 9.034 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.016 1.561 9.424 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.573 0.692 7.973 1.00 0.34 H new ATOM 1224 N LEU A2128 0.260 0.609 5.559 1.00 0.22 N ATOM 1225 CA LEU A2128 0.725 -0.208 4.456 1.00 0.21 C ATOM 1226 C LEU A2128 2.113 0.229 4.005 1.00 0.21 C ATOM 1227 O LEU A2128 2.923 -0.602 3.591 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.248 -0.146 3.290 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.551 -0.910 3.496 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.361 -0.901 2.215 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.266 -2.336 3.945 1.00 0.64 C ATOM 0 H LEU A2128 -0.569 1.168 5.358 1.00 0.22 H new ATOM 0 HA LEU A2128 0.783 -1.239 4.805 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.485 0.899 3.089 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.248 -0.537 2.401 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.130 -0.419 4.278 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.291 -1.449 2.369 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.588 0.128 1.935 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.788 -1.376 1.419 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.207 -2.867 4.088 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.673 -2.845 3.185 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.714 -2.318 4.884 1.00 0.64 H new ATOM 1243 N THR A2129 2.385 1.534 4.095 1.00 0.21 N ATOM 1244 CA THR A2129 3.715 2.055 3.802 1.00 0.24 C ATOM 1245 C THR A2129 4.745 1.334 4.647 1.00 0.25 C ATOM 1246 O THR A2129 5.783 0.906 4.155 1.00 0.33 O ATOM 1247 CB THR A2129 3.820 3.568 4.090 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.826 4.285 3.346 1.00 0.27 O ATOM 1249 CG2 THR A2129 5.210 4.101 3.742 1.00 0.32 C ATOM 0 H THR A2129 1.703 2.242 4.367 1.00 0.21 H new ATOM 0 HA THR A2129 3.899 1.890 2.740 1.00 0.24 H new ATOM 0 HB THR A2129 3.651 3.718 5.156 1.00 0.27 H new ATOM 0 HG1 THR A2129 2.760 5.201 3.687 1.00 0.27 H new ATOM 0 HG21 THR A2129 5.254 5.169 3.955 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.959 3.581 4.339 1.00 0.32 H new ATOM 0 HG23 THR A2129 5.409 3.934 2.683 1.00 0.32 H new ATOM 1257 N GLN A2130 4.411 1.170 5.911 1.00 0.25 N ATOM 1258 CA GLN A2130 5.309 0.562 6.877 1.00 0.28 C ATOM 1259 C GLN A2130 5.530 -0.908 6.544 1.00 0.23 C ATOM 1260 O GLN A2130 6.664 -1.388 6.545 1.00 0.22 O ATOM 1261 CB GLN A2130 4.742 0.704 8.293 1.00 0.38 C ATOM 1262 CG GLN A2130 4.085 2.052 8.556 1.00 0.52 C ATOM 1263 CD GLN A2130 3.710 2.255 10.008 1.00 1.39 C ATOM 1264 OE1 GLN A2130 2.611 1.903 10.430 1.00 2.22 O ATOM 1265 NE2 GLN A2130 4.615 2.837 10.778 1.00 1.90 N ATOM 0 H GLN A2130 3.511 1.453 6.299 1.00 0.25 H new ATOM 0 HA GLN A2130 6.268 1.078 6.831 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.011 -0.086 8.463 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.546 0.555 9.014 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.764 2.847 8.247 1.00 0.52 H new ATOM 0 HG3 GLN A2130 3.190 2.140 7.940 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.516 3.114 10.387 1.00 1.90 H new ATOM 0 HE22 GLN A2130 4.412 3.009 11.763 1.00 1.90 H new ATOM 1274 N HIS A2131 4.446 -1.614 6.230 1.00 0.25 N ATOM 1275 CA HIS A2131 4.541 -3.028 5.886 1.00 0.27 C ATOM 1276 C HIS A2131 5.405 -3.228 4.648 1.00 0.26 C ATOM 1277 O HIS A2131 6.334 -4.036 4.654 1.00 0.30 O ATOM 1278 CB HIS A2131 3.157 -3.652 5.651 1.00 0.32 C ATOM 1279 CG HIS A2131 3.239 -5.056 5.118 1.00 0.40 C ATOM 1280 ND1 HIS A2131 2.805 -5.585 3.950 1.00 0.52 N flip ATOM 1281 CD2 HIS A2131 3.893 -6.077 5.775 1.00 0.42 C flip ATOM 1282 CE1 HIS A2131 3.208 -6.897 3.919 1.00 0.59 C flip ATOM 1283 NE2 HIS A2131 3.866 -7.167 5.031 1.00 0.53 N flip ATOM 0 H HIS A2131 3.500 -1.233 6.207 1.00 0.25 H new ATOM 0 HA HIS A2131 5.005 -3.530 6.735 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.600 -3.655 6.588 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.598 -3.033 4.949 1.00 0.32 H new ATOM 0 HD2 HIS A2131 4.356 -5.997 6.748 1.00 0.42 H new ATOM 0 HE1 HIS A2131 3.018 -7.594 3.116 1.00 0.59 H new ATOM 0 HE2 HIS A2131 4.283 -8.066 5.274 1.00 0.53 H new ATOM 1292 N LEU A2132 5.102 -2.493 3.587 1.00 0.27 N ATOM 1293 CA LEU A2132 5.848 -2.631 2.348 1.00 0.33 C ATOM 1294 C LEU A2132 7.273 -2.120 2.520 1.00 0.35 C ATOM 1295 O LEU A2132 8.183 -2.604 1.865 1.00 0.47 O ATOM 1296 CB LEU A2132 5.151 -1.919 1.182 1.00 0.36 C ATOM 1297 CG LEU A2132 4.029 -2.714 0.486 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.535 -4.065 -0.010 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.835 -2.901 1.410 1.00 0.42 C ATOM 0 H LEU A2132 4.352 -1.802 3.560 1.00 0.27 H new ATOM 0 HA LEU A2132 5.887 -3.693 2.104 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.732 -0.983 1.551 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.903 -1.660 0.437 1.00 0.36 H new ATOM 0 HG LEU A2132 3.705 -2.134 -0.378 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.721 -4.602 -0.496 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.345 -3.911 -0.723 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.901 -4.649 0.834 1.00 0.48 H new ATOM 0 HD21 LEU A2132 2.059 -3.465 0.892 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.146 -3.446 2.301 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.443 -1.926 1.699 1.00 0.42 H new ATOM 1311 N HIS A2133 7.465 -1.167 3.427 1.00 0.28 N ATOM 1312 CA HIS A2133 8.792 -0.621 3.708 1.00 0.34 C ATOM 1313 C HIS A2133 9.675 -1.671 4.374 1.00 0.38 C ATOM 1314 O HIS A2133 10.894 -1.691 4.186 1.00 0.55 O ATOM 1315 CB HIS A2133 8.659 0.615 4.600 1.00 0.36 C ATOM 1316 CG HIS A2133 9.952 1.280 4.951 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.335 1.542 6.244 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.925 1.786 4.165 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.484 2.182 6.240 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.869 2.348 4.988 1.00 0.63 N ATOM 0 H HIS A2133 6.716 -0.754 3.983 1.00 0.28 H new ATOM 0 HA HIS A2133 9.264 -0.333 2.769 1.00 0.34 H new ATOM 0 HB2 HIS A2133 8.019 1.340 4.098 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.153 0.327 5.522 1.00 0.36 H new ATOM 0 HD1 HIS A2133 9.810 1.281 7.078 1.00 0.59 H new ATOM 0 HD2 HIS A2133 10.956 1.755 3.086 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.023 2.516 7.115 1.00 0.67 H new ATOM 1329 N THR A2134 9.047 -2.547 5.140 1.00 0.32 N ATOM 1330 CA THR A2134 9.753 -3.625 5.809 1.00 0.43 C ATOM 1331 C THR A2134 10.247 -4.655 4.789 1.00 0.51 C ATOM 1332 O THR A2134 11.236 -5.346 5.014 1.00 0.66 O ATOM 1333 CB THR A2134 8.842 -4.313 6.850 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.247 -3.327 7.708 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.624 -5.309 7.695 1.00 0.74 C ATOM 0 H THR A2134 8.042 -2.531 5.314 1.00 0.32 H new ATOM 0 HA THR A2134 10.612 -3.197 6.326 1.00 0.43 H new ATOM 0 HB THR A2134 8.064 -4.852 6.310 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.617 -2.782 7.192 1.00 0.59 H new ATOM 0 HG21 THR A2134 8.956 -5.777 8.418 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.054 -6.075 7.050 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.423 -4.789 8.223 1.00 0.74 H new ATOM 1343 N ARG A2135 9.579 -4.706 3.639 1.00 0.52 N ATOM 1344 CA ARG A2135 9.860 -5.708 2.621 1.00 0.71 C ATOM 1345 C ARG A2135 11.257 -5.528 2.020 1.00 0.88 C ATOM 1346 O ARG A2135 11.901 -6.497 1.620 1.00 1.12 O ATOM 1347 CB ARG A2135 8.814 -5.616 1.516 1.00 0.76 C ATOM 1348 CG ARG A2135 7.384 -5.755 2.009 1.00 0.74 C ATOM 1349 CD ARG A2135 7.066 -7.185 2.389 1.00 0.86 C ATOM 1350 NE ARG A2135 6.814 -8.027 1.218 1.00 1.75 N ATOM 1351 CZ ARG A2135 7.570 -9.071 0.864 1.00 2.11 C ATOM 1352 NH1 ARG A2135 8.631 -9.409 1.585 1.00 1.86 N ATOM 1353 NH2 ARG A2135 7.250 -9.787 -0.204 1.00 3.18 N ATOM 0 H ARG A2135 8.833 -4.057 3.390 1.00 0.52 H new ATOM 0 HA ARG A2135 9.823 -6.689 3.095 1.00 0.71 H new ATOM 0 HB2 ARG A2135 8.921 -4.658 1.007 1.00 0.76 H new ATOM 0 HB3 ARG A2135 9.011 -6.393 0.778 1.00 0.76 H new ATOM 0 HG2 ARG A2135 7.230 -5.105 2.871 1.00 0.74 H new ATOM 0 HG3 ARG A2135 6.696 -5.422 1.232 1.00 0.74 H new ATOM 0 HD2 ARG A2135 7.896 -7.600 2.961 1.00 0.86 H new ATOM 0 HD3 ARG A2135 6.192 -7.200 3.040 1.00 0.86 H new ATOM 0 HE ARG A2135 6.009 -7.802 0.634 1.00 1.75 H new ATOM 0 HH11 ARG A2135 8.875 -8.871 2.416 1.00 1.86 H new ATOM 0 HH12 ARG A2135 9.203 -10.207 1.308 1.00 1.86 H new ATOM 0 HH21 ARG A2135 6.428 -9.541 -0.755 1.00 3.18 H new ATOM 0 HH22 ARG A2135 7.826 -10.584 -0.475 1.00 3.18 H new ATOM 1367 N LEU A2136 11.717 -4.284 1.955 1.00 0.92 N ATOM 1368 CA LEU A2136 13.017 -3.971 1.386 1.00 1.20 C ATOM 1369 C LEU A2136 14.068 -4.019 2.478 1.00 1.16 C ATOM 1370 O LEU A2136 15.147 -4.585 2.310 1.00 1.43 O ATOM 1371 CB LEU A2136 13.056 -2.569 0.777 1.00 1.43 C ATOM 1372 CG LEU A2136 11.936 -2.158 -0.188 1.00 1.71 C ATOM 1373 CD1 LEU A2136 11.700 -3.197 -1.272 1.00 2.17 C ATOM 1374 CD2 LEU A2136 10.664 -1.862 0.577 1.00 2.37 C ATOM 0 H LEU A2136 11.202 -3.471 2.293 1.00 0.92 H new ATOM 0 HA LEU A2136 13.210 -4.705 0.604 1.00 1.20 H new ATOM 0 HB2 LEU A2136 13.066 -1.851 1.597 1.00 1.43 H new ATOM 0 HB3 LEU A2136 14.004 -2.463 0.249 1.00 1.43 H new ATOM 0 HG LEU A2136 12.256 -1.248 -0.695 1.00 1.71 H new ATOM 0 HD11 LEU A2136 10.898 -2.861 -1.930 1.00 2.17 H new ATOM 0 HD12 LEU A2136 12.613 -3.332 -1.852 1.00 2.17 H new ATOM 0 HD13 LEU A2136 11.419 -4.145 -0.813 1.00 2.17 H new ATOM 0 HD21 LEU A2136 9.879 -1.572 -0.121 1.00 2.37 H new ATOM 0 HD22 LEU A2136 10.353 -2.752 1.124 1.00 2.37 H new ATOM 0 HD23 LEU A2136 10.843 -1.049 1.280 1.00 2.37 H new ATOM 1386 N THR A2137 13.713 -3.431 3.611 1.00 0.96 N ATOM 1387 CA THR A2137 14.647 -3.222 4.703 1.00 1.08 C ATOM 1388 C THR A2137 15.005 -4.535 5.397 1.00 1.17 C ATOM 1389 O THR A2137 15.944 -4.599 6.193 1.00 1.41 O ATOM 1390 CB THR A2137 14.062 -2.226 5.719 1.00 1.13 C ATOM 1391 OG1 THR A2137 12.717 -2.598 6.043 1.00 1.23 O ATOM 1392 CG2 THR A2137 14.070 -0.808 5.163 1.00 1.15 C ATOM 0 H THR A2137 12.771 -3.087 3.797 1.00 0.96 H new ATOM 0 HA THR A2137 15.563 -2.809 4.282 1.00 1.08 H new ATOM 0 HB THR A2137 14.682 -2.253 6.615 1.00 1.13 H new ATOM 0 HG1 THR A2137 12.098 -2.161 5.421 1.00 1.23 H new ATOM 0 HG21 THR A2137 13.651 -0.125 5.902 1.00 1.15 H new ATOM 0 HG22 THR A2137 15.094 -0.512 4.935 1.00 1.15 H new ATOM 0 HG23 THR A2137 13.471 -0.770 4.253 1.00 1.15 H new ATOM 1400 N GLN A2138 14.254 -5.582 5.084 1.00 1.17 N ATOM 1401 CA GLN A2138 14.546 -6.912 5.581 1.00 1.45 C ATOM 1402 C GLN A2138 15.783 -7.498 4.904 1.00 1.71 C ATOM 1403 O GLN A2138 16.312 -8.522 5.347 1.00 2.00 O ATOM 1404 CB GLN A2138 13.351 -7.830 5.357 1.00 1.78 C ATOM 1405 CG GLN A2138 12.318 -7.775 6.470 1.00 1.32 C ATOM 1406 CD GLN A2138 11.357 -8.949 6.448 1.00 1.91 C ATOM 1407 OE1 GLN A2138 11.836 -10.110 6.025 1.00 2.46 O flip ATOM 1408 NE2 GLN A2138 10.193 -8.819 6.832 1.00 2.57 N flip ATOM 0 H GLN A2138 13.432 -5.531 4.483 1.00 1.17 H new ATOM 0 HA GLN A2138 14.747 -6.833 6.649 1.00 1.45 H new ATOM 0 HB2 GLN A2138 12.871 -7.563 4.415 1.00 1.78 H new ATOM 0 HB3 GLN A2138 13.707 -8.855 5.254 1.00 1.78 H new ATOM 0 HG2 GLN A2138 12.830 -7.750 7.432 1.00 1.32 H new ATOM 0 HG3 GLN A2138 11.751 -6.848 6.386 1.00 1.32 H new ATOM 0 HE21 GLN A2138 9.860 -7.909 7.151 1.00 2.57 H new ATOM 0 HE22 GLN A2138 9.563 -9.621 6.831 1.00 2.57 H new ATOM 1417 N SER A2139 16.231 -6.837 3.832 1.00 1.82 N ATOM 1418 CA SER A2139 17.408 -7.262 3.076 1.00 2.34 C ATOM 1419 C SER A2139 17.133 -8.570 2.333 1.00 2.85 C ATOM 1420 O SER A2139 15.998 -9.052 2.305 1.00 3.41 O ATOM 1421 CB SER A2139 18.616 -7.413 4.005 1.00 2.99 C ATOM 1422 OG SER A2139 18.799 -6.249 4.799 1.00 3.48 O ATOM 0 H SER A2139 15.787 -5.994 3.466 1.00 1.82 H new ATOM 0 HA SER A2139 17.635 -6.494 2.337 1.00 2.34 H new ATOM 0 HB2 SER A2139 18.476 -8.279 4.651 1.00 2.99 H new ATOM 0 HB3 SER A2139 19.513 -7.598 3.414 1.00 2.99 H new ATOM 0 HG SER A2139 19.575 -6.371 5.385 1.00 3.48 H new ATOM 1428 N HIS A2140 18.157 -9.124 1.703 1.00 3.20 N ATOM 1429 CA HIS A2140 18.028 -10.397 1.013 1.00 4.12 C ATOM 1430 C HIS A2140 19.076 -11.374 1.517 1.00 4.36 C ATOM 1431 O HIS A2140 20.207 -11.354 0.995 1.00 4.66 O ATOM 1432 CB HIS A2140 18.160 -10.221 -0.498 1.00 4.76 C ATOM 1433 CG HIS A2140 16.975 -9.569 -1.143 1.00 5.33 C ATOM 1434 ND1 HIS A2140 15.976 -10.278 -1.772 1.00 6.07 N ATOM 1435 CD2 HIS A2140 16.637 -8.264 -1.264 1.00 5.72 C ATOM 1436 CE1 HIS A2140 15.076 -9.439 -2.250 1.00 6.78 C ATOM 1437 NE2 HIS A2140 15.453 -8.210 -1.956 1.00 6.61 N ATOM 1438 OXT HIS A2140 18.771 -12.142 2.450 1.00 4.63 O ATOM 0 H HIS A2140 19.088 -8.711 1.655 1.00 3.20 H new ATOM 0 HA HIS A2140 17.036 -10.796 1.223 1.00 4.12 H new ATOM 0 HB2 HIS A2140 19.048 -9.625 -0.707 1.00 4.76 H new ATOM 0 HB3 HIS A2140 18.317 -11.198 -0.955 1.00 4.76 H new ATOM 0 HD2 HIS A2140 17.196 -7.421 -0.886 1.00 5.72 H new ATOM 0 HE1 HIS A2140 14.182 -9.713 -2.791 1.00 6.78 H new ATOM 0 HE2 HIS A2140 14.948 -7.359 -2.202 1.00 6.61 H new TER 1447 HIS A2140 HETATM 1448 P24 66S A2201 -15.820 -9.440 1.178 1.00 1.26 P HETATM 1449 O26 66S A2201 -16.030 -9.907 -0.208 1.00 2.02 O HETATM 1450 O23 66S A2201 -15.188 -10.498 1.992 1.00 2.14 O HETATM 1451 O27 66S A2201 -17.156 -8.911 1.842 1.00 1.51 O HETATM 1452 C28 66S A2201 -18.282 -8.655 0.972 1.00 1.76 C HETATM 1453 C29 66S A2201 -19.555 -9.321 1.564 1.00 2.58 C HETATM 1454 C30 66S A2201 -20.729 -8.343 1.435 1.00 3.17 C HETATM 1455 C31 66S A2201 -19.337 -9.647 3.059 1.00 3.36 C HETATM 1456 C32 66S A2201 -19.894 -10.631 0.763 1.00 3.14 C HETATM 1457 O33 66S A2201 -19.624 -10.422 -0.621 1.00 3.66 O HETATM 1458 C34 66S A2201 -19.071 -11.825 1.238 1.00 3.77 C HETATM 1459 O35 66S A2201 -19.484 -12.640 2.049 1.00 4.48 O HETATM 1460 N36 66S A2201 -17.851 -11.923 0.701 1.00 3.99 N HETATM 1461 C37 66S A2201 -16.968 -13.067 0.950 1.00 4.65 C HETATM 1462 C38 66S A2201 -16.026 -13.339 -0.241 1.00 5.05 C HETATM 1463 C39 66S A2201 -14.617 -13.558 0.248 1.00 5.31 C HETATM 1464 O40 66S A2201 -14.145 -14.666 0.442 1.00 6.12 O HETATM 1465 N41 66S A2201 -13.910 -12.441 0.455 1.00 4.83 N HETATM 1466 C42 66S A2201 -12.615 -12.201 -0.173 1.00 4.77 C HETATM 1467 C43 66S A2201 -11.569 -11.754 0.855 1.00 4.00 C HETATM 1468 S1 66S A2201 -12.065 -12.167 2.555 1.00 3.68 S HETATM 1469 C1 66S A2201 -11.275 -10.869 3.425 1.00 3.22 C HETATM 1470 O1 66S A2201 -10.064 -10.731 3.428 1.00 3.95 O HETATM 1471 C2 66S A2201 -12.213 -9.952 4.159 1.00 2.52 C HETATM 1472 C3 66S A2201 -11.432 -8.824 4.843 1.00 2.11 C HETATM 1473 C4 66S A2201 -12.373 -7.979 5.717 1.00 1.89 C HETATM 1474 C5 66S A2201 -11.683 -6.666 6.115 1.00 1.41 C HETATM 1475 C6 66S A2201 -11.918 -5.596 5.040 1.00 1.16 C HETATM 1476 C7 66S A2201 -13.278 -4.920 5.252 1.00 1.33 C HETATM 1477 C8 66S A2201 -13.436 -3.740 4.293 1.00 1.42 C