USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1057 hydrogens (6 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: A 107 ASN : amide:sc= -0.015 X(o=-0.12,f=-0.14) USER MOD Set 1.2: A 109 SER OG : rot 180:sc= -0.109 USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 95 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-6.3!) USER MOD Set 3.1: A 5 LYS NZ :NH3+ 162:sc= -0.376! (180deg=-1.51) USER MOD Set 3.2: A 90 TYR OH : rot 33:sc= 1.2 USER MOD Set 3.3: A 131 SER OG : rot 156:sc= 0.957! USER MOD Set 4.1: A 85 ASN : amide:sc= -0.704 K(o=-2.4,f=-5) USER MOD Set 4.2: A 86 HIS : no HE2:sc= -1.69 K(o=-2.4,f=-3.6) USER MOD Set 5.1: A 60 MET CE :methyl -164:sc= -0.285 (180deg=-1.1) USER MOD Set 5.2: A 92 SER OG : rot 180:sc= -0.0344 USER MOD Set 6.1: A 40 SER OG : rot 147:sc= 1.34 USER MOD Set 6.2: A 132 SER OG : rot 0:sc= -0.0621 USER MOD Set 7.1: A 34 HIS : no HE2:sc= -0.739 K(o=-0.21,f=-6.1!) USER MOD Set 7.2: A 52 THR OG1 : rot 100:sc= 0.53 USER MOD Set 8.1: A 33 GLN : amide:sc= -0.675 K(o=-0.55,f=-6.7!) USER MOD Set 8.2: A 51 SER OG : rot -50:sc= 0.123 USER MOD Set 9.1: A 11 ASN : amide:sc= 0.145 K(o=1.1,f=-15!) USER MOD Set 9.2: A 105 LYS NZ :NH3+ -133:sc= 0.927 (180deg=0) USER MOD Set10.1: A 8 TYR OH : rot 39:sc= 1.06 USER MOD Set10.2: A 14 HIS : no HD1:sc= -1.91 X(o=-0.85,f=-0.53) USER MOD Single : A 1 TYR N :NH3+ -143:sc= 0.302 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 168:sc= -0.0187 (180deg=-0.161) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0578) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 27 THR OG1 : rot 11:sc= -0.346 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00843 K(o=-0.0084,f=-1.1) USER MOD Single : A 38 GLN : amide:sc= 0.688 K(o=0.69,f=-3!) USER MOD Single : A 43 SER OG : rot 81:sc= 1.31 USER MOD Single : A 48 TYR OH : rot -31:sc= 0.754 USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.674) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.88 K(o=-1.9,f=-8.6!) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.167 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -38:sc= 1.35 USER MOD Single : A 70 GLN : amide:sc= -0.707 K(o=-0.71,f=-3.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 73 ASN : amide:sc= -0.498 K(o=-0.5,f=-4.9!) USER MOD Single : A 76 CYS SG : rot 62:sc= -0.527 USER MOD Single : A 87 TYR OH : rot 11:sc= 1.21 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.0658 F(o=-3.3!,f=-0.066) USER MOD Single : A 89 THR OG1 : rot -140:sc= -1.78 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 1.12 (180deg=0.999) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.05) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.23 K(o=-0.23,f=-6.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 145:sc= -0.265 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 177:sc= -1.27 USER MOD Single : A 117 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.2) USER MOD Single : A 121 LYS NZ :NH3+ 173:sc= 1.87 (180deg=1.79) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.742 -1.981 -9.513 1.00 0.54 N ATOM 2 CA TYR A 1 14.508 -2.456 -8.835 1.00 0.51 C ATOM 3 C TYR A 1 14.208 -1.640 -7.570 1.00 0.43 C ATOM 4 O TYR A 1 13.063 -1.259 -7.337 1.00 0.59 O ATOM 5 CB TYR A 1 14.610 -3.952 -8.496 1.00 0.57 C ATOM 6 CG TYR A 1 15.683 -4.311 -7.490 1.00 0.55 C ATOM 7 CD1 TYR A 1 16.973 -4.623 -7.903 1.00 0.77 C ATOM 8 CD2 TYR A 1 15.404 -4.349 -6.129 1.00 0.53 C ATOM 9 CE1 TYR A 1 17.950 -4.964 -6.990 1.00 0.93 C ATOM 10 CE2 TYR A 1 16.377 -4.688 -5.210 1.00 0.65 C ATOM 11 CZ TYR A 1 17.649 -4.995 -5.648 1.00 0.85 C ATOM 12 OH TYR A 1 18.623 -5.333 -4.739 1.00 1.08 O ATOM 0 H1 TYR A 1 15.616 -2.039 -10.544 1.00 0.54 H new ATOM 0 H2 TYR A 1 15.929 -0.994 -9.242 1.00 0.54 H new ATOM 0 H3 TYR A 1 16.546 -2.577 -9.228 1.00 0.54 H new ATOM 0 HA TYR A 1 13.680 -2.312 -9.529 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.647 -4.288 -8.112 1.00 0.57 H new ATOM 0 HB3 TYR A 1 14.797 -4.505 -9.416 1.00 0.57 H new ATOM 0 HD1 TYR A 1 17.215 -4.598 -8.955 1.00 0.77 H new ATOM 0 HD2 TYR A 1 14.409 -4.109 -5.784 1.00 0.53 H new ATOM 0 HE1 TYR A 1 18.947 -5.206 -7.328 1.00 0.93 H new ATOM 0 HE2 TYR A 1 16.144 -4.713 -4.156 1.00 0.65 H new ATOM 0 HH TYR A 1 18.249 -5.307 -3.834 1.00 1.08 H new ATOM 24 N LYS A 2 15.224 -1.377 -6.747 1.00 0.35 N ATOM 25 CA LYS A 2 15.024 -0.603 -5.525 1.00 0.39 C ATOM 26 C LYS A 2 15.181 0.889 -5.810 1.00 0.34 C ATOM 27 O LYS A 2 16.070 1.294 -6.561 1.00 0.48 O ATOM 28 CB LYS A 2 16.003 -1.048 -4.425 1.00 0.54 C ATOM 29 CG LYS A 2 17.417 -0.504 -4.581 1.00 0.73 C ATOM 30 CD LYS A 2 18.429 -1.615 -4.819 1.00 1.05 C ATOM 31 CE LYS A 2 19.841 -1.065 -4.954 1.00 1.15 C ATOM 32 NZ LYS A 2 20.314 -0.420 -3.700 1.00 1.40 N ATOM 0 H LYS A 2 16.184 -1.686 -6.903 1.00 0.35 H new ATOM 0 HA LYS A 2 14.010 -0.785 -5.168 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.611 -0.733 -3.458 1.00 0.54 H new ATOM 0 HB3 LYS A 2 16.045 -2.137 -4.413 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.446 0.198 -5.414 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.693 0.053 -3.685 1.00 0.73 H new ATOM 0 HD2 LYS A 2 18.392 -2.325 -3.993 1.00 1.05 H new ATOM 0 HD3 LYS A 2 18.163 -2.163 -5.723 1.00 1.05 H new ATOM 0 HE2 LYS A 2 20.520 -1.874 -5.223 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.871 -0.340 -5.767 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 21.337 -0.243 -3.765 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.814 0.482 -3.564 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 20.122 -1.047 -2.893 1.00 1.40 H new ATOM 46 N LYS A 3 14.300 1.692 -5.227 1.00 0.28 N ATOM 47 CA LYS A 3 14.330 3.142 -5.402 1.00 0.26 C ATOM 48 C LYS A 3 13.236 3.797 -4.558 1.00 0.26 C ATOM 49 O LYS A 3 12.278 3.131 -4.163 1.00 0.29 O ATOM 50 CB LYS A 3 14.155 3.520 -6.879 1.00 0.30 C ATOM 51 CG LYS A 3 15.431 4.034 -7.523 1.00 0.49 C ATOM 52 CD LYS A 3 15.232 4.356 -8.996 1.00 0.55 C ATOM 53 CE LYS A 3 16.527 4.832 -9.641 1.00 0.78 C ATOM 54 NZ LYS A 3 17.530 3.738 -9.766 1.00 1.18 N ATOM 0 H LYS A 3 13.548 1.361 -4.623 1.00 0.28 H new ATOM 0 HA LYS A 3 15.302 3.506 -5.069 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.803 2.648 -7.431 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.381 4.283 -6.962 1.00 0.30 H new ATOM 0 HG2 LYS A 3 15.768 4.928 -6.998 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.218 3.287 -7.418 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.868 3.471 -9.517 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.467 5.125 -9.102 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.311 5.238 -10.629 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.949 5.643 -9.048 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.339 4.071 -10.329 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.859 3.459 -8.820 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 17.094 2.919 -10.237 1.00 1.18 H new ATOM 68 N PRO A 4 13.374 5.104 -4.263 1.00 0.28 N ATOM 69 CA PRO A 4 12.391 5.851 -3.466 1.00 0.30 C ATOM 70 C PRO A 4 11.016 5.857 -4.130 1.00 0.27 C ATOM 71 O PRO A 4 10.797 6.547 -5.127 1.00 0.35 O ATOM 72 CB PRO A 4 12.972 7.271 -3.400 1.00 0.35 C ATOM 73 CG PRO A 4 14.416 7.115 -3.736 1.00 0.43 C ATOM 74 CD PRO A 4 14.493 5.960 -4.688 1.00 0.37 C ATOM 0 HA PRO A 4 12.236 5.408 -2.482 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.472 7.935 -4.106 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.842 7.704 -2.408 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.812 8.023 -4.191 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.007 6.923 -2.840 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.383 6.283 -5.723 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.448 5.440 -4.615 1.00 0.37 H new ATOM 82 N LYS A 5 10.110 5.062 -3.588 1.00 0.24 N ATOM 83 CA LYS A 5 8.760 4.952 -4.118 1.00 0.22 C ATOM 84 C LYS A 5 7.742 5.568 -3.156 1.00 0.25 C ATOM 85 O LYS A 5 8.066 5.870 -2.008 1.00 0.48 O ATOM 86 CB LYS A 5 8.438 3.475 -4.361 1.00 0.24 C ATOM 87 CG LYS A 5 7.134 3.220 -5.099 1.00 0.24 C ATOM 88 CD LYS A 5 7.007 1.754 -5.480 1.00 0.34 C ATOM 89 CE LYS A 5 5.677 1.460 -6.148 1.00 0.35 C ATOM 90 NZ LYS A 5 5.609 0.061 -6.637 1.00 0.40 N ATOM 0 H LYS A 5 10.287 4.477 -2.772 1.00 0.24 H new ATOM 0 HA LYS A 5 8.701 5.500 -5.058 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.254 3.028 -4.929 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.401 2.963 -3.400 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.292 3.511 -4.471 1.00 0.24 H new ATOM 0 HG3 LYS A 5 7.091 3.838 -5.996 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.820 1.481 -6.153 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.111 1.136 -4.588 1.00 0.34 H new ATOM 0 HE2 LYS A 5 4.867 1.639 -5.441 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.529 2.145 -6.983 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.616 -0.200 -6.805 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 6.144 -0.023 -7.525 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.019 -0.576 -5.924 1.00 0.40 H new ATOM 104 N LEU A 6 6.520 5.766 -3.637 1.00 0.22 N ATOM 105 CA LEU A 6 5.450 6.326 -2.821 1.00 0.23 C ATOM 106 C LEU A 6 4.101 5.787 -3.291 1.00 0.22 C ATOM 107 O LEU A 6 3.954 5.407 -4.458 1.00 0.25 O ATOM 108 CB LEU A 6 5.460 7.862 -2.870 1.00 0.27 C ATOM 109 CG LEU A 6 4.949 8.496 -4.171 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.777 9.997 -3.997 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.898 8.202 -5.321 1.00 0.50 C ATOM 0 H LEU A 6 6.245 5.545 -4.594 1.00 0.22 H new ATOM 0 HA LEU A 6 5.614 6.024 -1.787 1.00 0.23 H new ATOM 0 HB2 LEU A 6 4.855 8.236 -2.044 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.480 8.205 -2.698 1.00 0.27 H new ATOM 0 HG LEU A 6 3.979 8.059 -4.407 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.414 10.432 -4.928 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.058 10.191 -3.201 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.736 10.445 -3.737 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.517 8.660 -6.234 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.883 8.610 -5.094 1.00 0.50 H new ATOM 0 HD23 LEU A 6 5.976 7.124 -5.462 1.00 0.50 H new ATOM 123 N LEU A 7 3.131 5.749 -2.383 1.00 0.24 N ATOM 124 CA LEU A 7 1.796 5.251 -2.694 1.00 0.26 C ATOM 125 C LEU A 7 0.782 6.393 -2.652 1.00 0.22 C ATOM 126 O LEU A 7 0.235 6.713 -1.595 1.00 0.24 O ATOM 127 CB LEU A 7 1.402 4.151 -1.702 1.00 0.32 C ATOM 128 CG LEU A 7 0.035 3.506 -1.945 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.023 2.757 -3.271 1.00 0.44 C ATOM 130 CD2 LEU A 7 -0.315 2.568 -0.800 1.00 0.46 C ATOM 0 H LEU A 7 3.247 6.060 -1.418 1.00 0.24 H new ATOM 0 HA LEU A 7 1.802 4.831 -3.700 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.163 3.371 -1.730 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.413 4.571 -0.696 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.716 4.294 -1.992 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.957 2.306 -3.425 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.234 3.452 -4.083 1.00 0.44 H new ATOM 0 HD13 LEU A 7 0.783 1.976 -3.255 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -1.289 2.116 -0.985 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.440 1.785 -0.727 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.347 3.130 0.134 1.00 0.46 H new ATOM 142 N TYR A 8 0.531 7.000 -3.804 1.00 0.22 N ATOM 143 CA TYR A 8 -0.396 8.117 -3.889 1.00 0.21 C ATOM 144 C TYR A 8 -1.838 7.634 -4.017 1.00 0.21 C ATOM 145 O TYR A 8 -2.176 6.889 -4.939 1.00 0.29 O ATOM 146 CB TYR A 8 -0.039 9.013 -5.080 1.00 0.24 C ATOM 147 CG TYR A 8 -0.628 10.409 -4.998 1.00 0.28 C ATOM 148 CD1 TYR A 8 -2.003 10.605 -4.918 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.195 11.530 -4.996 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.539 11.875 -4.835 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.335 12.802 -4.917 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.700 12.970 -4.834 1.00 0.50 C ATOM 153 OH TYR A 8 -2.229 14.237 -4.744 1.00 0.63 O ATOM 0 H TYR A 8 0.957 6.736 -4.692 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.310 8.692 -2.967 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.046 9.091 -5.151 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.385 8.537 -5.997 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.662 9.750 -4.921 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.266 11.403 -5.057 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.609 12.010 -4.771 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.318 13.662 -4.920 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.983 14.233 -4.117 1.00 0.63 H new ATOM 163 N CYS A 9 -2.678 8.053 -3.080 1.00 0.23 N ATOM 164 CA CYS A 9 -4.089 7.700 -3.101 1.00 0.27 C ATOM 165 C CYS A 9 -4.879 8.875 -3.666 1.00 0.28 C ATOM 166 O CYS A 9 -4.877 9.965 -3.088 1.00 0.30 O ATOM 167 CB CYS A 9 -4.579 7.353 -1.694 1.00 0.30 C ATOM 168 SG CYS A 9 -3.649 6.018 -0.900 1.00 0.37 S ATOM 0 H CYS A 9 -2.404 8.641 -2.293 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.236 6.822 -3.730 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.520 8.244 -1.070 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.630 7.069 -1.746 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.134 5.797 0.286 1.00 0.37 H new ATOM 174 N SER A 10 -5.546 8.663 -4.794 1.00 0.37 N ATOM 175 CA SER A 10 -6.307 9.732 -5.434 1.00 0.42 C ATOM 176 C SER A 10 -7.619 10.002 -4.694 1.00 0.39 C ATOM 177 O SER A 10 -8.710 9.755 -5.215 1.00 0.51 O ATOM 178 CB SER A 10 -6.575 9.394 -6.905 1.00 0.56 C ATOM 179 OG SER A 10 -6.548 10.562 -7.713 1.00 1.23 O ATOM 0 H SER A 10 -5.576 7.768 -5.282 1.00 0.37 H new ATOM 0 HA SER A 10 -5.708 10.642 -5.390 1.00 0.42 H new ATOM 0 HB2 SER A 10 -5.827 8.685 -7.260 1.00 0.56 H new ATOM 0 HB3 SER A 10 -7.545 8.906 -6.998 1.00 0.56 H new ATOM 0 HG SER A 10 -6.720 10.318 -8.646 1.00 1.23 H new ATOM 185 N ASN A 11 -7.504 10.501 -3.467 1.00 0.33 N ATOM 186 CA ASN A 11 -8.678 10.818 -2.659 1.00 0.36 C ATOM 187 C ASN A 11 -8.491 12.147 -1.930 1.00 0.35 C ATOM 188 O ASN A 11 -8.951 12.321 -0.799 1.00 0.47 O ATOM 189 CB ASN A 11 -8.969 9.699 -1.652 1.00 0.44 C ATOM 190 CG ASN A 11 -10.321 9.870 -0.972 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.441 9.721 0.249 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.355 10.166 -1.750 1.00 0.75 N ATOM 0 H ASN A 11 -6.612 10.694 -3.011 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.531 10.907 -3.331 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -8.941 8.737 -2.163 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.184 9.681 -0.896 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.284 10.277 -1.343 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.221 10.282 -2.754 1.00 0.75 H new ATOM 199 N GLY A 12 -7.823 13.088 -2.590 1.00 0.38 N ATOM 200 CA GLY A 12 -7.593 14.389 -1.998 1.00 0.45 C ATOM 201 C GLY A 12 -6.309 14.450 -1.198 1.00 0.46 C ATOM 202 O GLY A 12 -6.045 13.579 -0.370 1.00 0.87 O ATOM 0 H GLY A 12 -7.437 12.970 -3.527 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.561 15.141 -2.786 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.432 14.642 -1.350 1.00 0.45 H new ATOM 206 N GLY A 13 -5.512 15.481 -1.452 1.00 0.38 N ATOM 207 CA GLY A 13 -4.264 15.652 -0.739 1.00 0.36 C ATOM 208 C GLY A 13 -3.160 14.753 -1.264 1.00 0.31 C ATOM 209 O GLY A 13 -3.105 14.454 -2.460 1.00 0.40 O ATOM 0 H GLY A 13 -5.711 16.204 -2.143 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -3.947 16.692 -0.815 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.424 15.444 0.319 1.00 0.36 H new ATOM 213 N HIS A 14 -2.277 14.334 -0.367 1.00 0.26 N ATOM 214 CA HIS A 14 -1.153 13.467 -0.709 1.00 0.24 C ATOM 215 C HIS A 14 -1.025 12.363 0.336 1.00 0.22 C ATOM 216 O HIS A 14 -1.420 12.551 1.486 1.00 0.30 O ATOM 217 CB HIS A 14 0.145 14.280 -0.783 1.00 0.28 C ATOM 218 CG HIS A 14 0.327 15.016 -2.076 1.00 0.38 C ATOM 219 ND1 HIS A 14 -0.444 16.095 -2.451 1.00 0.60 N ATOM 220 CD2 HIS A 14 1.206 14.818 -3.086 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.047 16.526 -3.635 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.952 15.769 -4.040 1.00 0.66 N ATOM 0 H HIS A 14 -2.319 14.585 0.621 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.333 13.018 -1.686 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.160 14.997 0.037 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.991 13.609 -0.636 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.967 14.053 -3.132 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -0.470 17.358 -4.179 1.00 0.72 H new ATOM 0 HE2 HIS A 14 1.455 15.874 -4.921 1.00 0.66 H new ATOM 231 N PHE A 15 -0.475 11.220 -0.053 1.00 0.20 N ATOM 232 CA PHE A 15 -0.324 10.095 0.867 1.00 0.21 C ATOM 233 C PHE A 15 1.077 9.498 0.779 1.00 0.21 C ATOM 234 O PHE A 15 1.539 9.156 -0.309 1.00 0.23 O ATOM 235 CB PHE A 15 -1.364 9.012 0.555 1.00 0.27 C ATOM 236 CG PHE A 15 -2.789 9.453 0.744 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.406 10.269 -0.191 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.515 9.045 1.850 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.716 10.671 -0.024 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.828 9.443 2.022 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.429 10.257 1.083 1.00 0.45 C ATOM 0 H PHE A 15 -0.126 11.046 -0.996 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.480 10.467 1.880 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.231 8.683 -0.476 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.175 8.148 1.193 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.855 10.594 -1.061 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -3.050 8.408 2.588 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.183 11.309 -0.759 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.383 9.117 2.890 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.455 10.569 1.214 1.00 0.45 H new ATOM 251 N LEU A 16 1.750 9.392 1.926 1.00 0.20 N ATOM 252 CA LEU A 16 3.097 8.820 1.982 1.00 0.22 C ATOM 253 C LEU A 16 3.679 8.881 3.401 1.00 0.23 C ATOM 254 O LEU A 16 4.881 9.082 3.577 1.00 0.33 O ATOM 255 CB LEU A 16 4.032 9.541 0.992 1.00 0.23 C ATOM 256 CG LEU A 16 4.034 11.071 1.074 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.079 11.563 2.063 1.00 0.46 C ATOM 258 CD2 LEU A 16 4.275 11.677 -0.300 1.00 0.45 C ATOM 0 H LEU A 16 1.385 9.695 2.829 1.00 0.20 H new ATOM 0 HA LEU A 16 3.020 7.771 1.697 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.049 9.185 1.157 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.753 9.250 -0.021 1.00 0.23 H new ATOM 0 HG LEU A 16 3.055 11.392 1.429 1.00 0.24 H new ATOM 0 HD11 LEU A 16 5.059 12.652 2.102 1.00 0.46 H new ATOM 0 HD12 LEU A 16 4.861 11.161 3.052 1.00 0.46 H new ATOM 0 HD13 LEU A 16 6.067 11.229 1.745 1.00 0.46 H new ATOM 0 HD21 LEU A 16 4.273 12.764 -0.223 1.00 0.45 H new ATOM 0 HD22 LEU A 16 5.239 11.342 -0.682 1.00 0.45 H new ATOM 0 HD23 LEU A 16 3.485 11.360 -0.981 1.00 0.45 H new ATOM 270 N ARG A 17 2.841 8.671 4.416 1.00 0.24 N ATOM 271 CA ARG A 17 3.309 8.721 5.799 1.00 0.26 C ATOM 272 C ARG A 17 2.868 7.484 6.576 1.00 0.22 C ATOM 273 O ARG A 17 1.681 7.159 6.620 1.00 0.29 O ATOM 274 CB ARG A 17 2.802 9.987 6.493 1.00 0.34 C ATOM 275 CG ARG A 17 3.298 10.132 7.922 1.00 0.47 C ATOM 276 CD ARG A 17 3.242 11.577 8.392 1.00 0.53 C ATOM 277 NE ARG A 17 1.869 12.047 8.578 1.00 0.54 N ATOM 278 CZ ARG A 17 1.544 13.315 8.843 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.495 14.236 8.990 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.267 13.659 8.965 1.00 0.86 N ATOM 0 H ARG A 17 1.847 8.467 4.309 1.00 0.24 H new ATOM 0 HA ARG A 17 4.399 8.741 5.780 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.115 10.858 5.917 1.00 0.34 H new ATOM 0 HB3 ARG A 17 1.712 9.980 6.494 1.00 0.34 H new ATOM 0 HG2 ARG A 17 2.693 9.511 8.582 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.323 9.766 7.991 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.787 11.673 9.331 1.00 0.53 H new ATOM 0 HD3 ARG A 17 3.746 12.213 7.665 1.00 0.53 H new ATOM 0 HE ARG A 17 1.114 11.365 8.501 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.477 13.974 8.900 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.241 15.203 9.192 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.463 12.955 8.856 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.017 14.627 9.167 1.00 0.86 H new ATOM 294 N ILE A 18 3.837 6.801 7.179 1.00 0.21 N ATOM 295 CA ILE A 18 3.567 5.604 7.962 1.00 0.20 C ATOM 296 C ILE A 18 4.057 5.787 9.398 1.00 0.20 C ATOM 297 O ILE A 18 5.178 6.251 9.625 1.00 0.26 O ATOM 298 CB ILE A 18 4.229 4.349 7.342 1.00 0.26 C ATOM 299 CG1 ILE A 18 3.791 3.084 8.083 1.00 0.29 C ATOM 300 CG2 ILE A 18 5.747 4.472 7.352 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.349 2.709 7.837 1.00 0.33 C ATOM 0 H ILE A 18 4.823 7.061 7.138 1.00 0.21 H new ATOM 0 HA ILE A 18 2.488 5.452 7.961 1.00 0.20 H new ATOM 0 HB ILE A 18 3.900 4.274 6.306 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.430 2.255 7.779 1.00 0.29 H new ATOM 0 HG13 ILE A 18 3.943 3.228 9.153 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.187 3.578 6.911 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.045 5.346 6.773 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.097 4.580 8.379 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.109 1.803 8.394 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.701 3.521 8.167 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.196 2.532 6.772 1.00 0.33 H new ATOM 313 N LEU A 19 3.204 5.441 10.350 1.00 0.21 N ATOM 314 CA LEU A 19 3.528 5.556 11.765 1.00 0.24 C ATOM 315 C LEU A 19 3.949 4.199 12.327 1.00 0.23 C ATOM 316 O LEU A 19 3.181 3.233 12.251 1.00 0.22 O ATOM 317 CB LEU A 19 2.320 6.083 12.553 1.00 0.30 C ATOM 318 CG LEU A 19 1.943 7.544 12.295 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.119 8.461 12.589 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.457 7.734 10.864 1.00 0.48 C ATOM 0 H LEU A 19 2.271 5.074 10.165 1.00 0.21 H new ATOM 0 HA LEU A 19 4.355 6.259 11.867 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.458 5.458 12.320 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.523 5.962 13.617 1.00 0.30 H new ATOM 0 HG LEU A 19 1.127 7.808 12.968 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.830 9.495 12.399 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.413 8.352 13.633 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.958 8.195 11.946 1.00 0.54 H new ATOM 0 HD21 LEU A 19 1.195 8.780 10.705 1.00 0.48 H new ATOM 0 HD22 LEU A 19 2.248 7.448 10.170 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.580 7.110 10.692 1.00 0.48 H new ATOM 332 N PRO A 20 5.165 4.112 12.905 1.00 0.29 N ATOM 333 CA PRO A 20 5.696 2.871 13.490 1.00 0.33 C ATOM 334 C PRO A 20 4.678 2.163 14.384 1.00 0.30 C ATOM 335 O PRO A 20 4.700 0.938 14.526 1.00 0.36 O ATOM 336 CB PRO A 20 6.905 3.341 14.322 1.00 0.41 C ATOM 337 CG PRO A 20 6.872 4.835 14.283 1.00 0.55 C ATOM 338 CD PRO A 20 6.133 5.206 13.032 1.00 0.38 C ATOM 0 HA PRO A 20 5.953 2.144 12.719 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.840 2.975 15.347 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.838 2.960 13.906 1.00 0.41 H new ATOM 0 HG2 PRO A 20 6.371 5.236 15.164 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.881 5.246 14.275 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.642 6.175 13.122 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.797 5.264 12.169 1.00 0.38 H new ATOM 346 N ASP A 21 3.784 2.943 14.988 1.00 0.27 N ATOM 347 CA ASP A 21 2.746 2.395 15.858 1.00 0.30 C ATOM 348 C ASP A 21 1.778 1.506 15.076 1.00 0.29 C ATOM 349 O ASP A 21 1.046 0.710 15.667 1.00 0.41 O ATOM 350 CB ASP A 21 1.969 3.520 16.548 1.00 0.36 C ATOM 351 CG ASP A 21 2.745 4.149 17.685 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.920 3.486 18.727 1.00 0.96 O ATOM 353 OD2 ASP A 21 3.192 5.308 17.538 1.00 0.95 O ATOM 0 H ASP A 21 3.758 3.958 14.891 1.00 0.27 H new ATOM 0 HA ASP A 21 3.241 1.786 16.614 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.719 4.287 15.815 1.00 0.36 H new ATOM 0 HB3 ASP A 21 1.027 3.125 16.930 1.00 0.36 H new ATOM 358 N GLY A 22 1.778 1.640 13.752 1.00 0.24 N ATOM 359 CA GLY A 22 0.891 0.850 12.928 1.00 0.27 C ATOM 360 C GLY A 22 -0.231 1.686 12.350 1.00 0.27 C ATOM 361 O GLY A 22 -1.407 1.362 12.519 1.00 0.35 O ATOM 0 H GLY A 22 2.379 2.284 13.238 1.00 0.24 H new ATOM 0 HA2 GLY A 22 1.458 0.393 12.118 1.00 0.27 H new ATOM 0 HA3 GLY A 22 0.471 0.038 13.521 1.00 0.27 H new ATOM 365 N THR A 23 0.128 2.779 11.687 1.00 0.24 N ATOM 366 CA THR A 23 -0.863 3.662 11.086 1.00 0.27 C ATOM 367 C THR A 23 -0.285 4.384 9.869 1.00 0.22 C ATOM 368 O THR A 23 0.926 4.598 9.786 1.00 0.25 O ATOM 369 CB THR A 23 -1.368 4.709 12.105 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.539 4.106 13.397 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.688 5.323 11.652 1.00 0.43 C ATOM 0 H THR A 23 1.095 3.074 11.552 1.00 0.24 H new ATOM 0 HA THR A 23 -1.700 3.040 10.771 1.00 0.27 H new ATOM 0 HB THR A 23 -0.620 5.499 12.169 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.858 4.780 14.033 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.020 6.056 12.388 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.550 5.813 10.688 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.440 4.540 11.556 1.00 0.43 H new ATOM 379 N VAL A 24 -1.154 4.746 8.933 1.00 0.25 N ATOM 380 CA VAL A 24 -0.750 5.452 7.722 1.00 0.24 C ATOM 381 C VAL A 24 -1.768 6.547 7.405 1.00 0.28 C ATOM 382 O VAL A 24 -2.975 6.289 7.409 1.00 0.37 O ATOM 383 CB VAL A 24 -0.611 4.481 6.521 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.855 3.614 6.371 1.00 0.37 C ATOM 385 CG2 VAL A 24 -0.330 5.240 5.232 1.00 0.32 C ATOM 0 H VAL A 24 -2.155 4.560 8.991 1.00 0.25 H new ATOM 0 HA VAL A 24 0.227 5.903 7.896 1.00 0.24 H new ATOM 0 HB VAL A 24 0.238 3.827 6.722 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.730 2.943 5.521 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -2.002 3.028 7.278 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.724 4.250 6.206 1.00 0.37 H new ATOM 0 HG21 VAL A 24 -0.237 4.534 4.407 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -1.150 5.929 5.030 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.599 5.801 5.335 1.00 0.32 H new ATOM 395 N ASP A 25 -1.288 7.760 7.152 1.00 0.28 N ATOM 396 CA ASP A 25 -2.172 8.888 6.860 1.00 0.35 C ATOM 397 C ASP A 25 -1.617 9.760 5.731 1.00 0.27 C ATOM 398 O ASP A 25 -0.515 9.517 5.223 1.00 0.26 O ATOM 399 CB ASP A 25 -2.411 9.723 8.131 1.00 0.50 C ATOM 400 CG ASP A 25 -1.310 10.732 8.422 1.00 0.53 C ATOM 401 OD1 ASP A 25 -0.126 10.339 8.524 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.629 11.930 8.583 1.00 1.19 O ATOM 0 H ASP A 25 -0.294 7.989 7.143 1.00 0.28 H new ATOM 0 HA ASP A 25 -3.127 8.487 6.521 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.359 10.252 8.033 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.508 9.050 8.983 1.00 0.50 H new ATOM 407 N GLY A 26 -2.389 10.773 5.345 1.00 0.27 N ATOM 408 CA GLY A 26 -1.985 11.662 4.269 1.00 0.26 C ATOM 409 C GLY A 26 -0.763 12.491 4.612 1.00 0.32 C ATOM 410 O GLY A 26 -0.562 12.864 5.771 1.00 0.72 O ATOM 0 H GLY A 26 -3.293 10.995 5.762 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.778 11.072 3.376 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.813 12.328 4.026 1.00 0.26 H new ATOM 414 N THR A 27 0.050 12.782 3.604 1.00 0.25 N ATOM 415 CA THR A 27 1.270 13.567 3.772 1.00 0.23 C ATOM 416 C THR A 27 1.890 13.883 2.406 1.00 0.23 C ATOM 417 O THR A 27 1.663 13.162 1.434 1.00 0.26 O ATOM 418 CB THR A 27 2.295 12.830 4.669 1.00 0.30 C ATOM 419 OG1 THR A 27 1.902 12.937 6.043 1.00 0.60 O ATOM 420 CG2 THR A 27 3.704 13.394 4.510 1.00 0.65 C ATOM 0 H THR A 27 -0.117 12.480 2.644 1.00 0.25 H new ATOM 0 HA THR A 27 1.003 14.501 4.266 1.00 0.23 H new ATOM 0 HB THR A 27 2.309 11.786 4.357 1.00 0.30 H new ATOM 0 HG1 THR A 27 0.994 13.302 6.096 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.390 12.848 5.157 1.00 0.65 H new ATOM 0 HG22 THR A 27 4.023 13.290 3.473 1.00 0.65 H new ATOM 0 HG23 THR A 27 3.707 14.448 4.786 1.00 0.65 H new ATOM 428 N ARG A 28 2.654 14.968 2.337 1.00 0.26 N ATOM 429 CA ARG A 28 3.296 15.386 1.092 1.00 0.29 C ATOM 430 C ARG A 28 4.815 15.290 1.208 1.00 0.29 C ATOM 431 O ARG A 28 5.367 15.457 2.299 1.00 0.39 O ATOM 432 CB ARG A 28 2.884 16.823 0.756 1.00 0.36 C ATOM 433 CG ARG A 28 3.443 17.852 1.725 1.00 0.44 C ATOM 434 CD ARG A 28 2.704 19.175 1.626 1.00 0.57 C ATOM 435 NE ARG A 28 1.340 19.081 2.150 1.00 0.66 N ATOM 436 CZ ARG A 28 1.020 19.197 3.443 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.970 19.359 4.367 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.254 19.138 3.813 1.00 1.12 N ATOM 0 H ARG A 28 2.845 15.578 3.132 1.00 0.26 H new ATOM 0 HA ARG A 28 2.972 14.721 0.292 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.221 17.064 -0.252 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.796 16.890 0.753 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.371 17.470 2.743 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.501 18.010 1.518 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.252 19.939 2.177 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.671 19.495 0.585 1.00 0.57 H new ATOM 0 HE ARG A 28 0.584 18.916 1.485 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.951 19.395 4.089 1.00 1.04 H new ATOM 0 HH12 ARG A 28 1.715 19.447 5.351 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -0.983 19.005 3.112 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -0.504 19.226 4.798 1.00 1.12 H new ATOM 452 N ASP A 29 5.481 15.025 0.087 1.00 0.27 N ATOM 453 CA ASP A 29 6.939 14.916 0.055 1.00 0.29 C ATOM 454 C ASP A 29 7.419 14.749 -1.387 1.00 0.30 C ATOM 455 O ASP A 29 6.613 14.783 -2.325 1.00 0.37 O ATOM 456 CB ASP A 29 7.429 13.740 0.915 1.00 0.31 C ATOM 457 CG ASP A 29 8.795 14.000 1.529 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.776 14.161 0.768 1.00 0.47 O ATOM 459 OD2 ASP A 29 8.892 14.057 2.773 1.00 0.53 O ATOM 0 H ASP A 29 5.032 14.881 -0.817 1.00 0.27 H new ATOM 0 HA ASP A 29 7.357 15.833 0.470 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.707 13.549 1.709 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.475 12.840 0.302 1.00 0.31 H new ATOM 464 N ARG A 30 8.720 14.558 -1.567 1.00 0.35 N ATOM 465 CA ARG A 30 9.295 14.405 -2.893 1.00 0.39 C ATOM 466 C ARG A 30 9.745 12.965 -3.134 1.00 0.37 C ATOM 467 O ARG A 30 10.884 12.605 -2.835 1.00 0.41 O ATOM 468 CB ARG A 30 10.474 15.365 -3.072 1.00 0.48 C ATOM 469 CG ARG A 30 10.977 15.448 -4.505 1.00 0.53 C ATOM 470 CD ARG A 30 9.991 16.174 -5.408 1.00 0.62 C ATOM 471 NE ARG A 30 10.404 16.144 -6.815 1.00 0.72 N ATOM 472 CZ ARG A 30 9.599 16.453 -7.840 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.330 16.799 -7.621 1.00 1.07 N ATOM 474 NH2 ARG A 30 10.060 16.403 -9.090 1.00 1.02 N ATOM 0 H ARG A 30 9.398 14.506 -0.806 1.00 0.35 H new ATOM 0 HA ARG A 30 8.526 14.647 -3.626 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.175 16.360 -2.742 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.292 15.047 -2.426 1.00 0.48 H new ATOM 0 HG2 ARG A 30 11.936 15.965 -4.524 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.149 14.442 -4.889 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.006 15.717 -5.310 1.00 0.62 H new ATOM 0 HD3 ARG A 30 9.896 17.209 -5.081 1.00 0.62 H new ATOM 0 HE ARG A 30 11.364 15.871 -7.026 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.967 16.830 -6.668 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.722 17.033 -8.406 1.00 1.07 H new ATOM 0 HH21 ARG A 30 11.027 16.129 -9.267 1.00 1.02 H new ATOM 0 HH22 ARG A 30 9.446 16.638 -9.870 1.00 1.02 H new ATOM 488 N SER A 31 8.837 12.150 -3.667 1.00 0.44 N ATOM 489 CA SER A 31 9.130 10.752 -3.969 1.00 0.51 C ATOM 490 C SER A 31 9.695 10.017 -2.751 1.00 0.51 C ATOM 491 O SER A 31 10.709 9.321 -2.849 1.00 0.86 O ATOM 492 CB SER A 31 10.114 10.671 -5.140 1.00 0.65 C ATOM 493 OG SER A 31 9.651 11.428 -6.250 1.00 0.74 O ATOM 0 H SER A 31 7.886 12.437 -3.900 1.00 0.44 H new ATOM 0 HA SER A 31 8.195 10.263 -4.243 1.00 0.51 H new ATOM 0 HB2 SER A 31 11.090 11.041 -4.825 1.00 0.65 H new ATOM 0 HB3 SER A 31 10.248 9.630 -5.436 1.00 0.65 H new ATOM 0 HG SER A 31 10.297 11.362 -6.984 1.00 0.74 H new ATOM 499 N ASP A 32 9.035 10.168 -1.607 1.00 0.47 N ATOM 500 CA ASP A 32 9.472 9.509 -0.383 1.00 0.47 C ATOM 501 C ASP A 32 8.279 9.192 0.511 1.00 0.49 C ATOM 502 O ASP A 32 7.145 9.563 0.203 1.00 1.05 O ATOM 503 CB ASP A 32 10.484 10.372 0.381 1.00 0.57 C ATOM 504 CG ASP A 32 11.924 10.030 0.039 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.306 8.844 0.131 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.693 10.954 -0.306 1.00 0.83 O ATOM 0 H ASP A 32 8.197 10.740 -1.503 1.00 0.47 H new ATOM 0 HA ASP A 32 9.961 8.577 -0.666 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.302 11.423 0.156 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.329 10.243 1.452 1.00 0.57 H new ATOM 511 N GLN A 33 8.551 8.505 1.611 1.00 0.35 N ATOM 512 CA GLN A 33 7.524 8.111 2.571 1.00 0.34 C ATOM 513 C GLN A 33 7.923 8.621 3.964 1.00 0.35 C ATOM 514 O GLN A 33 8.489 9.708 4.072 1.00 0.54 O ATOM 515 CB GLN A 33 7.395 6.582 2.547 1.00 0.45 C ATOM 516 CG GLN A 33 6.074 6.048 3.081 1.00 0.53 C ATOM 517 CD GLN A 33 6.275 4.856 4.004 1.00 0.71 C ATOM 518 OE1 GLN A 33 7.246 4.808 4.764 1.00 0.98 O ATOM 519 NE2 GLN A 33 5.375 3.886 3.942 1.00 0.82 N ATOM 0 H GLN A 33 9.491 8.203 1.866 1.00 0.35 H new ATOM 0 HA GLN A 33 6.558 8.545 2.314 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.523 6.236 1.521 1.00 0.45 H new ATOM 0 HB3 GLN A 33 8.208 6.153 3.132 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.553 6.840 3.619 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.436 5.757 2.246 1.00 0.53 H new ATOM 0 HE21 GLN A 33 4.586 3.963 3.300 1.00 0.82 H new ATOM 0 HE22 GLN A 33 5.471 3.062 4.536 1.00 0.82 H new ATOM 528 N HIS A 34 7.643 7.850 5.027 1.00 0.34 N ATOM 529 CA HIS A 34 8.027 8.245 6.388 1.00 0.39 C ATOM 530 C HIS A 34 9.483 8.715 6.383 1.00 0.37 C ATOM 531 O HIS A 34 9.872 9.605 7.135 1.00 0.50 O ATOM 532 CB HIS A 34 7.845 7.061 7.351 1.00 0.48 C ATOM 533 CG HIS A 34 8.538 7.225 8.671 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.669 6.514 9.017 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.255 8.020 9.732 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.050 6.867 10.233 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.210 7.778 10.685 1.00 0.95 N ATOM 0 H HIS A 34 7.155 6.956 4.969 1.00 0.34 H new ATOM 0 HA HIS A 34 7.389 9.062 6.727 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.780 6.914 7.529 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.216 6.156 6.869 1.00 0.48 H new ATOM 0 HD1 HIS A 34 10.137 5.825 8.428 1.00 0.86 H new ATOM 0 HD2 HIS A 34 7.431 8.714 9.811 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.904 6.476 10.766 1.00 0.99 H new ATOM 546 N ILE A 35 10.264 8.082 5.517 1.00 0.31 N ATOM 547 CA ILE A 35 11.673 8.399 5.317 1.00 0.34 C ATOM 548 C ILE A 35 12.053 8.003 3.890 1.00 0.33 C ATOM 549 O ILE A 35 12.703 8.756 3.171 1.00 0.40 O ATOM 550 CB ILE A 35 12.585 7.673 6.330 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.254 8.123 7.758 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.049 7.944 6.010 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.098 7.456 8.820 1.00 0.51 C ATOM 0 H ILE A 35 9.931 7.322 4.924 1.00 0.31 H new ATOM 0 HA ILE A 35 11.817 9.468 5.475 1.00 0.34 H new ATOM 0 HB ILE A 35 12.408 6.600 6.256 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.385 9.203 7.828 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.203 7.916 7.960 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.681 7.426 6.732 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.275 7.584 5.006 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.241 9.016 6.063 1.00 0.52 H new ATOM 0 HD11 ILE A 35 12.805 7.826 9.803 1.00 0.51 H new ATOM 0 HD12 ILE A 35 12.949 6.377 8.779 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.150 7.684 8.645 1.00 0.51 H new ATOM 565 N GLN A 36 11.631 6.798 3.501 1.00 0.29 N ATOM 566 CA GLN A 36 11.854 6.263 2.165 1.00 0.30 C ATOM 567 C GLN A 36 10.945 5.052 1.974 1.00 0.30 C ATOM 568 O GLN A 36 10.485 4.470 2.958 1.00 0.64 O ATOM 569 CB GLN A 36 13.319 5.861 1.965 1.00 0.37 C ATOM 570 CG GLN A 36 13.653 5.454 0.532 1.00 0.40 C ATOM 571 CD GLN A 36 15.096 5.007 0.350 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.716 5.278 -0.679 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.642 4.314 1.338 1.00 0.61 N ATOM 0 H GLN A 36 11.120 6.163 4.114 1.00 0.29 H new ATOM 0 HA GLN A 36 11.623 7.031 1.427 1.00 0.30 H new ATOM 0 HB2 GLN A 36 13.958 6.695 2.255 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.554 5.032 2.633 1.00 0.37 H new ATOM 0 HG2 GLN A 36 12.989 4.645 0.228 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.455 6.295 -0.132 1.00 0.40 H new ATOM 0 HE21 GLN A 36 15.099 4.107 2.177 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.605 3.987 1.260 1.00 0.61 H new ATOM 582 N LEU A 37 10.665 4.686 0.735 1.00 0.27 N ATOM 583 CA LEU A 37 9.818 3.533 0.462 1.00 0.25 C ATOM 584 C LEU A 37 10.349 2.771 -0.741 1.00 0.22 C ATOM 585 O LEU A 37 10.574 3.355 -1.799 1.00 0.26 O ATOM 586 CB LEU A 37 8.369 3.968 0.208 1.00 0.33 C ATOM 587 CG LEU A 37 7.294 2.956 0.625 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.905 3.532 0.397 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.458 1.651 -0.140 1.00 0.53 C ATOM 0 H LEU A 37 11.009 5.167 -0.096 1.00 0.27 H new ATOM 0 HA LEU A 37 9.833 2.882 1.336 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.190 4.902 0.740 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.252 4.179 -0.855 1.00 0.33 H new ATOM 0 HG LEU A 37 7.415 2.748 1.688 1.00 0.42 H new ATOM 0 HD11 LEU A 37 5.154 2.801 0.698 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.786 4.440 0.989 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.778 3.769 -0.659 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.686 0.947 0.171 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.366 1.842 -1.209 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.440 1.227 0.069 1.00 0.53 H new ATOM 601 N GLN A 38 10.562 1.476 -0.565 1.00 0.23 N ATOM 602 CA GLN A 38 11.068 0.628 -1.634 1.00 0.27 C ATOM 603 C GLN A 38 10.132 -0.552 -1.862 1.00 0.24 C ATOM 604 O GLN A 38 9.707 -1.210 -0.913 1.00 0.32 O ATOM 605 CB GLN A 38 12.469 0.122 -1.296 1.00 0.38 C ATOM 606 CG GLN A 38 13.530 1.213 -1.297 1.00 0.51 C ATOM 607 CD GLN A 38 14.395 1.186 -0.050 1.00 0.62 C ATOM 608 OE1 GLN A 38 13.934 0.842 1.037 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.659 1.548 -0.198 1.00 0.75 N ATOM 0 H GLN A 38 10.391 0.987 0.314 1.00 0.23 H new ATOM 0 HA GLN A 38 11.119 1.221 -2.547 1.00 0.27 H new ATOM 0 HB2 GLN A 38 12.448 -0.351 -0.314 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.751 -0.648 -2.015 1.00 0.38 H new ATOM 0 HG2 GLN A 38 14.163 1.098 -2.177 1.00 0.51 H new ATOM 0 HG3 GLN A 38 13.045 2.186 -1.378 1.00 0.51 H new ATOM 0 HE21 GLN A 38 16.005 1.827 -1.116 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.287 1.548 0.606 1.00 0.75 H new ATOM 618 N LEU A 39 9.800 -0.799 -3.122 1.00 0.24 N ATOM 619 CA LEU A 39 8.925 -1.906 -3.484 1.00 0.24 C ATOM 620 C LEU A 39 9.503 -2.635 -4.692 1.00 0.26 C ATOM 621 O LEU A 39 9.326 -2.203 -5.831 1.00 0.34 O ATOM 622 CB LEU A 39 7.506 -1.393 -3.775 1.00 0.26 C ATOM 623 CG LEU A 39 6.436 -2.477 -3.940 1.00 0.34 C ATOM 624 CD1 LEU A 39 5.056 -1.907 -3.653 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.481 -3.069 -5.339 1.00 0.41 C ATOM 0 H LEU A 39 10.125 -0.245 -3.914 1.00 0.24 H new ATOM 0 HA LEU A 39 8.861 -2.606 -2.651 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.205 -0.729 -2.965 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.534 -0.793 -4.685 1.00 0.26 H new ATOM 0 HG LEU A 39 6.642 -3.272 -3.224 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.307 -2.689 -3.774 1.00 0.38 H new ATOM 0 HD12 LEU A 39 5.024 -1.529 -2.631 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.847 -1.093 -4.347 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.713 -3.837 -5.434 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.301 -2.283 -6.073 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.461 -3.513 -5.515 1.00 0.41 H new ATOM 637 N SER A 40 10.209 -3.734 -4.431 1.00 0.25 N ATOM 638 CA SER A 40 10.846 -4.511 -5.486 1.00 0.28 C ATOM 639 C SER A 40 11.511 -5.766 -4.921 1.00 0.29 C ATOM 640 O SER A 40 11.333 -6.093 -3.744 1.00 0.38 O ATOM 641 CB SER A 40 11.893 -3.647 -6.196 1.00 0.36 C ATOM 642 OG SER A 40 11.395 -3.146 -7.425 1.00 0.55 O ATOM 0 H SER A 40 10.353 -4.106 -3.492 1.00 0.25 H new ATOM 0 HA SER A 40 10.079 -4.822 -6.195 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.181 -2.816 -5.551 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.792 -4.236 -6.378 1.00 0.36 H new ATOM 0 HG SER A 40 11.776 -2.259 -7.595 1.00 0.55 H new ATOM 648 N ALA A 41 12.264 -6.468 -5.775 1.00 0.33 N ATOM 649 CA ALA A 41 12.984 -7.680 -5.382 1.00 0.37 C ATOM 650 C ALA A 41 12.030 -8.858 -5.201 1.00 0.36 C ATOM 651 O ALA A 41 12.077 -9.567 -4.192 1.00 0.76 O ATOM 652 CB ALA A 41 13.796 -7.433 -4.114 1.00 0.46 C ATOM 0 H ALA A 41 12.390 -6.212 -6.754 1.00 0.33 H new ATOM 0 HA ALA A 41 13.674 -7.938 -6.186 1.00 0.37 H new ATOM 0 HB1 ALA A 41 14.325 -8.345 -3.837 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.517 -6.636 -4.293 1.00 0.46 H new ATOM 0 HB3 ALA A 41 13.127 -7.141 -3.305 1.00 0.46 H new ATOM 658 N GLU A 42 11.177 -9.067 -6.199 1.00 0.35 N ATOM 659 CA GLU A 42 10.202 -10.151 -6.184 1.00 0.30 C ATOM 660 C GLU A 42 9.917 -10.608 -7.613 1.00 0.33 C ATOM 661 O GLU A 42 10.401 -9.997 -8.571 1.00 0.51 O ATOM 662 CB GLU A 42 8.901 -9.706 -5.501 1.00 0.32 C ATOM 663 CG GLU A 42 8.983 -9.669 -3.979 1.00 0.54 C ATOM 664 CD GLU A 42 9.360 -11.008 -3.366 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.886 -12.057 -3.856 1.00 1.01 O ATOM 666 OE2 GLU A 42 10.131 -11.015 -2.381 1.00 1.05 O ATOM 0 H GLU A 42 11.143 -8.490 -7.040 1.00 0.35 H new ATOM 0 HA GLU A 42 10.616 -10.984 -5.616 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.632 -8.714 -5.865 1.00 0.32 H new ATOM 0 HB3 GLU A 42 8.098 -10.382 -5.795 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.716 -8.920 -3.679 1.00 0.54 H new ATOM 0 HG3 GLU A 42 8.021 -9.351 -3.578 1.00 0.54 H new ATOM 673 N SER A 43 9.144 -11.675 -7.758 1.00 0.31 N ATOM 674 CA SER A 43 8.808 -12.203 -9.075 1.00 0.38 C ATOM 675 C SER A 43 7.647 -11.426 -9.690 1.00 0.34 C ATOM 676 O SER A 43 6.736 -11.001 -8.977 1.00 0.61 O ATOM 677 CB SER A 43 8.448 -13.686 -8.970 1.00 0.52 C ATOM 678 OG SER A 43 8.485 -14.124 -7.619 1.00 1.04 O ATOM 0 H SER A 43 8.737 -12.193 -6.980 1.00 0.31 H new ATOM 0 HA SER A 43 9.678 -12.091 -9.722 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.453 -13.853 -9.383 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.144 -14.276 -9.567 1.00 0.52 H new ATOM 0 HG SER A 43 7.655 -13.863 -7.168 1.00 1.04 H new ATOM 684 N VAL A 44 7.684 -11.253 -11.014 1.00 0.39 N ATOM 685 CA VAL A 44 6.641 -10.529 -11.744 1.00 0.39 C ATOM 686 C VAL A 44 5.268 -10.745 -11.103 1.00 0.36 C ATOM 687 O VAL A 44 4.756 -11.867 -11.060 1.00 0.59 O ATOM 688 CB VAL A 44 6.600 -10.948 -13.233 1.00 0.52 C ATOM 689 CG1 VAL A 44 6.376 -12.446 -13.381 1.00 0.60 C ATOM 690 CG2 VAL A 44 5.536 -10.167 -13.988 1.00 0.58 C ATOM 0 H VAL A 44 8.434 -11.609 -11.607 1.00 0.39 H new ATOM 0 HA VAL A 44 6.888 -9.469 -11.691 1.00 0.39 H new ATOM 0 HB VAL A 44 7.571 -10.711 -13.669 1.00 0.52 H new ATOM 0 HG11 VAL A 44 6.352 -12.708 -14.439 1.00 0.60 H new ATOM 0 HG12 VAL A 44 7.187 -12.985 -12.892 1.00 0.60 H new ATOM 0 HG13 VAL A 44 5.428 -12.720 -12.918 1.00 0.60 H new ATOM 0 HG21 VAL A 44 5.527 -10.480 -15.032 1.00 0.58 H new ATOM 0 HG22 VAL A 44 4.560 -10.359 -13.543 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.757 -9.101 -13.930 1.00 0.58 H new ATOM 700 N GLY A 45 4.695 -9.665 -10.588 1.00 0.32 N ATOM 701 CA GLY A 45 3.404 -9.738 -9.935 1.00 0.33 C ATOM 702 C GLY A 45 3.541 -9.592 -8.435 1.00 0.28 C ATOM 703 O GLY A 45 2.949 -8.692 -7.836 1.00 0.33 O ATOM 0 H GLY A 45 5.106 -8.732 -10.612 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.753 -8.954 -10.321 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.929 -10.691 -10.168 1.00 0.33 H new ATOM 707 N GLU A 46 4.344 -10.466 -7.833 1.00 0.27 N ATOM 708 CA GLU A 46 4.576 -10.433 -6.395 1.00 0.28 C ATOM 709 C GLU A 46 5.446 -9.231 -6.053 1.00 0.24 C ATOM 710 O GLU A 46 6.390 -8.920 -6.782 1.00 0.31 O ATOM 711 CB GLU A 46 5.260 -11.725 -5.925 1.00 0.39 C ATOM 712 CG GLU A 46 4.517 -12.995 -6.312 1.00 0.51 C ATOM 713 CD GLU A 46 5.298 -14.250 -5.974 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.196 -14.629 -6.758 1.00 0.86 O ATOM 715 OE2 GLU A 46 5.020 -14.867 -4.924 1.00 0.82 O ATOM 0 H GLU A 46 4.845 -11.207 -8.322 1.00 0.27 H new ATOM 0 HA GLU A 46 3.617 -10.349 -5.884 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.266 -11.764 -6.342 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.366 -11.694 -4.841 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.555 -13.020 -5.799 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.308 -12.978 -7.382 1.00 0.51 H new ATOM 722 N VAL A 47 5.135 -8.547 -4.964 1.00 0.22 N ATOM 723 CA VAL A 47 5.912 -7.380 -4.572 1.00 0.25 C ATOM 724 C VAL A 47 6.083 -7.278 -3.061 1.00 0.23 C ATOM 725 O VAL A 47 5.199 -7.659 -2.288 1.00 0.29 O ATOM 726 CB VAL A 47 5.280 -6.073 -5.094 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.334 -6.020 -6.614 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.846 -5.929 -4.602 1.00 0.35 C ATOM 0 H VAL A 47 4.360 -8.775 -4.342 1.00 0.22 H new ATOM 0 HA VAL A 47 6.894 -7.513 -5.026 1.00 0.25 H new ATOM 0 HB VAL A 47 5.858 -5.237 -4.701 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.883 -5.091 -6.962 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.372 -6.065 -6.943 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.785 -6.866 -7.027 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.422 -5.000 -4.983 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.253 -6.771 -4.958 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.835 -5.912 -3.512 1.00 0.35 H new ATOM 738 N TYR A 48 7.242 -6.769 -2.662 1.00 0.22 N ATOM 739 CA TYR A 48 7.572 -6.567 -1.260 1.00 0.22 C ATOM 740 C TYR A 48 7.598 -5.068 -0.983 1.00 0.22 C ATOM 741 O TYR A 48 8.105 -4.299 -1.801 1.00 0.29 O ATOM 742 CB TYR A 48 8.930 -7.201 -0.936 1.00 0.25 C ATOM 743 CG TYR A 48 9.364 -7.035 0.505 1.00 0.35 C ATOM 744 CD1 TYR A 48 8.914 -7.903 1.489 1.00 0.49 C ATOM 745 CD2 TYR A 48 10.235 -6.014 0.876 1.00 0.58 C ATOM 746 CE1 TYR A 48 9.317 -7.763 2.802 1.00 0.66 C ATOM 747 CE2 TYR A 48 10.641 -5.866 2.188 1.00 0.74 C ATOM 748 CZ TYR A 48 10.180 -6.742 3.147 1.00 0.72 C ATOM 749 OH TYR A 48 10.588 -6.600 4.455 1.00 0.92 O ATOM 0 H TYR A 48 7.981 -6.484 -3.305 1.00 0.22 H new ATOM 0 HA TYR A 48 6.823 -7.044 -0.628 1.00 0.22 H new ATOM 0 HB2 TYR A 48 8.887 -8.265 -1.171 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.688 -6.762 -1.585 1.00 0.25 H new ATOM 0 HD1 TYR A 48 8.237 -8.702 1.224 1.00 0.49 H new ATOM 0 HD2 TYR A 48 10.599 -5.327 0.126 1.00 0.58 H new ATOM 0 HE1 TYR A 48 8.959 -8.449 3.556 1.00 0.66 H new ATOM 0 HE2 TYR A 48 11.316 -5.068 2.461 1.00 0.74 H new ATOM 0 HH TYR A 48 9.878 -6.910 5.055 1.00 0.92 H new ATOM 759 N ILE A 49 7.054 -4.652 0.152 1.00 0.21 N ATOM 760 CA ILE A 49 7.003 -3.234 0.489 1.00 0.22 C ATOM 761 C ILE A 49 7.938 -2.890 1.647 1.00 0.23 C ATOM 762 O ILE A 49 7.715 -3.306 2.785 1.00 0.37 O ATOM 763 CB ILE A 49 5.567 -2.795 0.848 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.590 -3.223 -0.254 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.507 -1.287 1.056 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.139 -2.944 0.074 1.00 0.38 C ATOM 0 H ILE A 49 6.644 -5.270 0.852 1.00 0.21 H new ATOM 0 HA ILE A 49 7.334 -2.694 -0.398 1.00 0.22 H new ATOM 0 HB ILE A 49 5.277 -3.282 1.779 1.00 0.26 H new ATOM 0 HG12 ILE A 49 4.850 -2.706 -1.178 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.712 -4.290 -0.441 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.488 -0.995 1.308 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.177 -1.005 1.868 1.00 0.30 H new ATOM 0 HG23 ILE A 49 5.813 -0.781 0.141 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.509 -3.274 -0.752 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.861 -3.483 0.980 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.001 -1.874 0.231 1.00 0.38 H new ATOM 778 N LYS A 50 8.983 -2.128 1.345 1.00 0.21 N ATOM 779 CA LYS A 50 9.948 -1.711 2.353 1.00 0.25 C ATOM 780 C LYS A 50 9.770 -0.231 2.690 1.00 0.21 C ATOM 781 O LYS A 50 10.113 0.647 1.891 1.00 0.26 O ATOM 782 CB LYS A 50 11.382 -1.977 1.868 1.00 0.34 C ATOM 783 CG LYS A 50 12.455 -1.263 2.683 1.00 0.49 C ATOM 784 CD LYS A 50 12.375 -1.604 4.166 1.00 0.73 C ATOM 785 CE LYS A 50 13.286 -2.765 4.534 1.00 1.35 C ATOM 786 NZ LYS A 50 14.726 -2.392 4.479 1.00 1.74 N ATOM 0 H LYS A 50 9.183 -1.786 0.405 1.00 0.21 H new ATOM 0 HA LYS A 50 9.771 -2.295 3.256 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.572 -3.050 1.898 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.466 -1.667 0.826 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.439 -1.535 2.302 1.00 0.49 H new ATOM 0 HG3 LYS A 50 12.350 -0.186 2.554 1.00 0.49 H new ATOM 0 HD2 LYS A 50 12.648 -0.728 4.755 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.346 -1.854 4.425 1.00 0.73 H new ATOM 0 HE2 LYS A 50 13.041 -3.112 5.538 1.00 1.35 H new ATOM 0 HE3 LYS A 50 13.102 -3.598 3.855 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 15.285 -3.086 5.015 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 15.044 -2.381 3.489 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.856 -1.448 4.895 1.00 1.74 H new ATOM 800 N SER A 51 9.209 0.036 3.866 1.00 0.24 N ATOM 801 CA SER A 51 9.003 1.401 4.331 1.00 0.25 C ATOM 802 C SER A 51 10.188 1.823 5.196 1.00 0.25 C ATOM 803 O SER A 51 10.454 1.208 6.229 1.00 0.33 O ATOM 804 CB SER A 51 7.693 1.508 5.122 1.00 0.32 C ATOM 805 OG SER A 51 6.566 1.159 4.323 1.00 0.53 O ATOM 0 H SER A 51 8.888 -0.681 4.517 1.00 0.24 H new ATOM 0 HA SER A 51 8.931 2.067 3.471 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.739 0.854 5.993 1.00 0.32 H new ATOM 0 HB3 SER A 51 7.574 2.526 5.494 1.00 0.32 H new ATOM 0 HG SER A 51 6.599 1.653 3.477 1.00 0.53 H new ATOM 811 N THR A 52 10.888 2.871 4.772 1.00 0.24 N ATOM 812 CA THR A 52 12.062 3.367 5.481 1.00 0.28 C ATOM 813 C THR A 52 13.232 2.402 5.274 1.00 0.28 C ATOM 814 O THR A 52 13.099 1.202 5.509 1.00 0.34 O ATOM 815 CB THR A 52 11.781 3.559 6.989 1.00 0.32 C ATOM 816 OG1 THR A 52 10.599 4.363 7.172 1.00 0.35 O ATOM 817 CG2 THR A 52 12.961 4.220 7.684 1.00 0.38 C ATOM 0 H THR A 52 10.658 3.399 3.930 1.00 0.24 H new ATOM 0 HA THR A 52 12.319 4.344 5.072 1.00 0.28 H new ATOM 0 HB THR A 52 11.625 2.576 7.432 1.00 0.32 H new ATOM 0 HG1 THR A 52 9.836 3.782 7.372 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.737 4.343 8.744 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.847 3.595 7.571 1.00 0.38 H new ATOM 0 HG23 THR A 52 13.146 5.196 7.236 1.00 0.38 H new ATOM 825 N GLU A 53 14.370 2.931 4.814 1.00 0.31 N ATOM 826 CA GLU A 53 15.556 2.114 4.550 1.00 0.35 C ATOM 827 C GLU A 53 15.711 1.020 5.604 1.00 0.31 C ATOM 828 O GLU A 53 15.686 -0.173 5.285 1.00 0.37 O ATOM 829 CB GLU A 53 16.813 2.991 4.510 1.00 0.43 C ATOM 830 CG GLU A 53 18.004 2.328 3.832 1.00 0.47 C ATOM 831 CD GLU A 53 17.879 2.301 2.320 1.00 0.57 C ATOM 832 OE1 GLU A 53 18.089 3.354 1.682 1.00 0.73 O ATOM 833 OE2 GLU A 53 17.567 1.229 1.758 1.00 0.74 O ATOM 0 H GLU A 53 14.494 3.924 4.617 1.00 0.31 H new ATOM 0 HA GLU A 53 15.428 1.638 3.578 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.580 3.919 3.988 1.00 0.43 H new ATOM 0 HB3 GLU A 53 17.090 3.259 5.530 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.915 2.859 4.107 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.106 1.308 4.202 1.00 0.47 H new ATOM 840 N THR A 54 15.843 1.433 6.855 1.00 0.28 N ATOM 841 CA THR A 54 15.993 0.501 7.958 1.00 0.31 C ATOM 842 C THR A 54 15.299 1.032 9.208 1.00 0.33 C ATOM 843 O THR A 54 15.357 2.232 9.501 1.00 0.52 O ATOM 844 CB THR A 54 17.480 0.232 8.260 1.00 0.40 C ATOM 845 OG1 THR A 54 18.269 1.376 7.899 1.00 0.63 O ATOM 846 CG2 THR A 54 17.974 -0.991 7.503 1.00 0.68 C ATOM 0 H THR A 54 15.849 2.415 7.131 1.00 0.28 H new ATOM 0 HA THR A 54 15.525 -0.438 7.663 1.00 0.31 H new ATOM 0 HB THR A 54 17.582 0.043 9.329 1.00 0.40 H new ATOM 0 HG1 THR A 54 19.212 1.198 8.096 1.00 0.63 H new ATOM 0 HG21 THR A 54 19.026 -1.160 7.732 1.00 0.68 H new ATOM 0 HG22 THR A 54 17.392 -1.863 7.802 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.858 -0.827 6.432 1.00 0.68 H new ATOM 854 N GLY A 55 14.629 0.140 9.929 1.00 0.39 N ATOM 855 CA GLY A 55 13.928 0.529 11.135 1.00 0.44 C ATOM 856 C GLY A 55 12.451 0.187 11.078 1.00 0.42 C ATOM 857 O GLY A 55 11.920 -0.443 11.992 1.00 0.76 O ATOM 0 H GLY A 55 14.560 -0.851 9.697 1.00 0.39 H new ATOM 0 HA2 GLY A 55 14.381 0.031 11.992 1.00 0.44 H new ATOM 0 HA3 GLY A 55 14.045 1.602 11.291 1.00 0.44 H new ATOM 861 N GLN A 56 11.790 0.584 9.998 1.00 0.34 N ATOM 862 CA GLN A 56 10.366 0.326 9.836 1.00 0.30 C ATOM 863 C GLN A 56 10.128 -0.930 9.002 1.00 0.27 C ATOM 864 O GLN A 56 11.055 -1.475 8.400 1.00 0.38 O ATOM 865 CB GLN A 56 9.681 1.534 9.192 1.00 0.37 C ATOM 866 CG GLN A 56 9.752 2.794 10.041 1.00 0.49 C ATOM 867 CD GLN A 56 9.056 2.628 11.381 1.00 0.76 C ATOM 868 OE1 GLN A 56 7.869 2.911 11.513 1.00 1.02 O ATOM 869 NE2 GLN A 56 9.792 2.160 12.380 1.00 0.89 N ATOM 0 H GLN A 56 12.218 1.086 9.221 1.00 0.34 H new ATOM 0 HA GLN A 56 9.934 0.161 10.823 1.00 0.30 H new ATOM 0 HB2 GLN A 56 10.143 1.731 8.224 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.635 1.291 9.003 1.00 0.37 H new ATOM 0 HG2 GLN A 56 10.796 3.059 10.207 1.00 0.49 H new ATOM 0 HG3 GLN A 56 9.296 3.621 9.498 1.00 0.49 H new ATOM 0 HE21 GLN A 56 10.776 1.937 12.228 1.00 0.89 H new ATOM 0 HE22 GLN A 56 9.374 2.023 13.300 1.00 0.89 H new ATOM 878 N TYR A 57 8.881 -1.383 8.976 1.00 0.24 N ATOM 879 CA TYR A 57 8.499 -2.576 8.231 1.00 0.23 C ATOM 880 C TYR A 57 7.011 -2.502 7.886 1.00 0.25 C ATOM 881 O TYR A 57 6.201 -2.099 8.721 1.00 0.42 O ATOM 882 CB TYR A 57 8.801 -3.822 9.073 1.00 0.26 C ATOM 883 CG TYR A 57 8.653 -5.138 8.343 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.397 -5.645 8.026 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.771 -5.884 7.991 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.263 -6.856 7.374 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.642 -7.096 7.344 1.00 0.73 C ATOM 888 CZ TYR A 57 8.389 -7.577 7.038 1.00 0.79 C ATOM 889 OH TYR A 57 8.262 -8.787 6.398 1.00 1.03 O ATOM 0 H TYR A 57 8.108 -0.936 9.469 1.00 0.24 H new ATOM 0 HA TYR A 57 9.070 -2.637 7.304 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.820 -3.747 9.453 1.00 0.26 H new ATOM 0 HB3 TYR A 57 8.138 -3.827 9.938 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.514 -5.084 8.293 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.756 -5.510 8.227 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.282 -7.235 7.129 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.521 -7.665 7.079 1.00 0.73 H new ATOM 0 HH TYR A 57 9.151 -9.164 6.232 1.00 1.03 H new ATOM 899 N LEU A 58 6.657 -2.875 6.661 1.00 0.20 N ATOM 900 CA LEU A 58 5.266 -2.822 6.218 1.00 0.22 C ATOM 901 C LEU A 58 4.590 -4.179 6.388 1.00 0.23 C ATOM 902 O LEU A 58 5.024 -5.172 5.803 1.00 0.30 O ATOM 903 CB LEU A 58 5.197 -2.374 4.751 1.00 0.27 C ATOM 904 CG LEU A 58 3.843 -1.821 4.288 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.773 -2.902 4.314 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.423 -0.639 5.151 1.00 0.38 C ATOM 0 H LEU A 58 7.312 -3.217 5.957 1.00 0.20 H new ATOM 0 HA LEU A 58 4.736 -2.097 6.836 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.956 -1.609 4.588 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.458 -3.222 4.118 1.00 0.27 H new ATOM 0 HG LEU A 58 3.955 -1.479 3.259 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.824 -2.482 3.981 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.062 -3.716 3.650 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.665 -3.283 5.330 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.460 -0.261 4.807 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.337 -0.959 6.189 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.171 0.150 5.076 1.00 0.38 H new ATOM 918 N ALA A 59 3.533 -4.214 7.193 1.00 0.23 N ATOM 919 CA ALA A 59 2.794 -5.443 7.434 1.00 0.27 C ATOM 920 C ALA A 59 1.293 -5.173 7.406 1.00 0.24 C ATOM 921 O ALA A 59 0.848 -4.055 7.690 1.00 0.26 O ATOM 922 CB ALA A 59 3.206 -6.059 8.763 1.00 0.35 C ATOM 0 H ALA A 59 3.170 -3.401 7.690 1.00 0.23 H new ATOM 0 HA ALA A 59 3.030 -6.153 6.641 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.644 -6.978 8.928 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.272 -6.285 8.745 1.00 0.35 H new ATOM 0 HB3 ALA A 59 2.998 -5.356 9.570 1.00 0.35 H new ATOM 928 N MET A 60 0.512 -6.185 7.051 1.00 0.28 N ATOM 929 CA MET A 60 -0.934 -6.038 6.990 1.00 0.30 C ATOM 930 C MET A 60 -1.628 -7.065 7.876 1.00 0.26 C ATOM 931 O MET A 60 -1.172 -8.203 8.006 1.00 0.44 O ATOM 932 CB MET A 60 -1.429 -6.161 5.545 1.00 0.40 C ATOM 933 CG MET A 60 -1.543 -7.594 5.041 1.00 0.73 C ATOM 934 SD MET A 60 -2.111 -7.690 3.330 1.00 0.93 S ATOM 935 CE MET A 60 -3.511 -6.573 3.362 1.00 1.97 C ATOM 0 H MET A 60 0.855 -7.113 6.802 1.00 0.28 H new ATOM 0 HA MET A 60 -1.184 -5.044 7.361 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.405 -5.682 5.466 1.00 0.40 H new ATOM 0 HB3 MET A 60 -0.750 -5.612 4.893 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.572 -8.082 5.125 1.00 0.73 H new ATOM 0 HG3 MET A 60 -2.233 -8.145 5.680 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.129 -6.738 2.479 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.103 -6.757 4.259 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.155 -5.543 3.368 1.00 1.97 H new ATOM 945 N ASP A 61 -2.717 -6.645 8.500 1.00 0.30 N ATOM 946 CA ASP A 61 -3.498 -7.517 9.365 1.00 0.31 C ATOM 947 C ASP A 61 -4.382 -8.418 8.518 1.00 0.29 C ATOM 948 O ASP A 61 -4.996 -7.953 7.549 1.00 0.34 O ATOM 949 CB ASP A 61 -4.367 -6.692 10.317 1.00 0.42 C ATOM 950 CG ASP A 61 -4.970 -7.526 11.431 1.00 0.68 C ATOM 951 OD1 ASP A 61 -5.798 -8.414 11.138 1.00 0.96 O ATOM 952 OD2 ASP A 61 -4.620 -7.290 12.603 1.00 0.94 O ATOM 0 H ASP A 61 -3.083 -5.696 8.423 1.00 0.30 H new ATOM 0 HA ASP A 61 -2.814 -8.126 9.956 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -3.765 -5.894 10.751 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -5.168 -6.216 9.751 1.00 0.42 H new ATOM 957 N THR A 62 -4.450 -9.693 8.881 1.00 0.37 N ATOM 958 CA THR A 62 -5.263 -10.655 8.150 1.00 0.44 C ATOM 959 C THR A 62 -6.697 -10.141 7.996 1.00 0.41 C ATOM 960 O THR A 62 -7.342 -10.379 6.971 1.00 0.50 O ATOM 961 CB THR A 62 -5.260 -12.045 8.838 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.923 -13.013 8.011 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.929 -11.988 10.206 1.00 0.74 C ATOM 0 H THR A 62 -3.950 -10.085 9.679 1.00 0.37 H new ATOM 0 HA THR A 62 -4.822 -10.772 7.160 1.00 0.44 H new ATOM 0 HB THR A 62 -4.221 -12.343 8.978 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.912 -13.886 8.456 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.910 -12.978 10.662 1.00 0.74 H new ATOM 0 HG22 THR A 62 -5.393 -11.285 10.844 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.962 -11.660 10.092 1.00 0.74 H new ATOM 971 N ASP A 63 -7.182 -9.413 9.002 1.00 0.36 N ATOM 972 CA ASP A 63 -8.531 -8.860 8.959 1.00 0.41 C ATOM 973 C ASP A 63 -8.678 -7.913 7.774 1.00 0.40 C ATOM 974 O ASP A 63 -9.649 -7.989 7.020 1.00 0.65 O ATOM 975 CB ASP A 63 -8.861 -8.115 10.253 1.00 0.47 C ATOM 976 CG ASP A 63 -10.147 -7.316 10.140 1.00 0.62 C ATOM 977 OD1 ASP A 63 -11.238 -7.913 10.258 1.00 0.82 O ATOM 978 OD2 ASP A 63 -10.074 -6.090 9.931 1.00 0.75 O ATOM 0 H ASP A 63 -6.662 -9.195 9.852 1.00 0.36 H new ATOM 0 HA ASP A 63 -9.228 -9.690 8.847 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -8.950 -8.831 11.070 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -8.039 -7.445 10.505 1.00 0.47 H new ATOM 983 N GLY A 64 -7.693 -7.037 7.609 1.00 0.45 N ATOM 984 CA GLY A 64 -7.712 -6.082 6.522 1.00 0.50 C ATOM 985 C GLY A 64 -7.264 -4.700 6.957 1.00 0.43 C ATOM 986 O GLY A 64 -7.974 -3.711 6.749 1.00 0.64 O ATOM 0 H GLY A 64 -6.876 -6.973 8.216 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -7.063 -6.435 5.720 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.720 -6.022 6.113 1.00 0.50 H new ATOM 990 N LEU A 65 -6.078 -4.633 7.551 1.00 0.40 N ATOM 991 CA LEU A 65 -5.520 -3.372 8.022 1.00 0.34 C ATOM 992 C LEU A 65 -4.020 -3.343 7.750 1.00 0.33 C ATOM 993 O LEU A 65 -3.310 -4.288 8.087 1.00 0.60 O ATOM 994 CB LEU A 65 -5.793 -3.206 9.522 1.00 0.37 C ATOM 995 CG LEU A 65 -6.151 -1.786 9.978 1.00 0.71 C ATOM 996 CD1 LEU A 65 -5.028 -0.810 9.653 1.00 1.23 C ATOM 997 CD2 LEU A 65 -7.462 -1.337 9.345 1.00 1.16 C ATOM 0 H LEU A 65 -5.481 -5.443 7.718 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.993 -2.547 7.489 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.608 -3.874 9.801 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.911 -3.533 10.072 1.00 0.37 H new ATOM 0 HG LEU A 65 -6.280 -1.797 11.060 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -5.307 0.190 9.986 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -4.116 -1.121 10.163 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -4.856 -0.799 8.577 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -7.701 -0.327 9.680 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -7.364 -1.346 8.259 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -8.261 -2.016 9.642 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.548 -2.276 7.117 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.129 -2.134 6.803 1.00 0.36 C ATOM 1011 C LEU A 66 -1.453 -1.278 7.865 1.00 0.34 C ATOM 1012 O LEU A 66 -1.991 -0.238 8.259 1.00 0.45 O ATOM 1013 CB LEU A 66 -1.937 -1.510 5.415 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.430 -2.363 4.238 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -3.954 -2.431 4.208 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -1.889 -1.816 2.922 1.00 0.61 C ATOM 0 H LEU A 66 -4.127 -1.494 6.810 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.672 -3.124 6.794 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.456 -0.552 5.391 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.877 -1.301 5.272 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.054 -3.377 4.373 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.274 -3.042 3.364 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.317 -2.875 5.135 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.361 -1.425 4.103 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.248 -2.432 2.097 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.233 -0.791 2.785 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -0.799 -1.834 2.941 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.290 -1.716 8.334 1.00 0.28 N ATOM 1029 CA TYR A 67 0.439 -0.986 9.362 1.00 0.33 C ATOM 1030 C TYR A 67 1.948 -1.076 9.154 1.00 0.30 C ATOM 1031 O TYR A 67 2.451 -2.001 8.511 1.00 0.32 O ATOM 1032 CB TYR A 67 0.068 -1.518 10.754 1.00 0.43 C ATOM 1033 CG TYR A 67 0.055 -3.030 10.849 1.00 0.41 C ATOM 1034 CD1 TYR A 67 1.210 -3.740 11.152 1.00 0.55 C ATOM 1035 CD2 TYR A 67 -1.115 -3.747 10.631 1.00 0.45 C ATOM 1036 CE1 TYR A 67 1.199 -5.120 11.236 1.00 0.65 C ATOM 1037 CE2 TYR A 67 -1.133 -5.125 10.712 1.00 0.55 C ATOM 1038 CZ TYR A 67 0.024 -5.808 11.013 1.00 0.63 C ATOM 1039 OH TYR A 67 0.005 -7.186 11.093 1.00 0.80 O ATOM 0 H TYR A 67 0.167 -2.572 8.019 1.00 0.28 H new ATOM 0 HA TYR A 67 0.153 0.063 9.288 1.00 0.33 H new ATOM 0 HB2 TYR A 67 0.776 -1.124 11.483 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.916 -1.138 11.027 1.00 0.43 H new ATOM 0 HD1 TYR A 67 2.132 -3.205 11.325 1.00 0.55 H new ATOM 0 HD2 TYR A 67 -2.026 -3.217 10.394 1.00 0.45 H new ATOM 0 HE1 TYR A 67 2.105 -5.657 11.475 1.00 0.65 H new ATOM 0 HE2 TYR A 67 -2.052 -5.666 10.540 1.00 0.55 H new ATOM 0 HH TYR A 67 -0.901 -7.512 10.910 1.00 0.80 H new ATOM 1049 N GLY A 68 2.658 -0.094 9.696 1.00 0.34 N ATOM 1050 CA GLY A 68 4.099 -0.059 9.590 1.00 0.38 C ATOM 1051 C GLY A 68 4.756 -0.329 10.925 1.00 0.52 C ATOM 1052 O GLY A 68 4.779 0.541 11.796 1.00 1.27 O ATOM 0 H GLY A 68 2.252 0.686 10.213 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.430 -0.801 8.863 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.415 0.916 9.218 1.00 0.38 H new ATOM 1056 N SER A 69 5.271 -1.537 11.096 1.00 0.36 N ATOM 1057 CA SER A 69 5.925 -1.934 12.333 1.00 0.39 C ATOM 1058 C SER A 69 6.906 -3.071 12.062 1.00 0.32 C ATOM 1059 O SER A 69 6.628 -3.954 11.252 1.00 0.37 O ATOM 1060 CB SER A 69 4.882 -2.362 13.371 1.00 0.51 C ATOM 1061 OG SER A 69 3.901 -1.352 13.568 1.00 1.23 O ATOM 0 H SER A 69 5.248 -2.267 10.384 1.00 0.36 H new ATOM 0 HA SER A 69 6.477 -1.082 12.730 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.398 -3.283 13.044 1.00 0.51 H new ATOM 0 HB3 SER A 69 5.377 -2.580 14.317 1.00 0.51 H new ATOM 0 HG SER A 69 4.328 -0.471 13.538 1.00 1.23 H new ATOM 1067 N GLN A 70 8.054 -3.035 12.735 1.00 0.31 N ATOM 1068 CA GLN A 70 9.089 -4.049 12.559 1.00 0.33 C ATOM 1069 C GLN A 70 8.568 -5.442 12.924 1.00 0.32 C ATOM 1070 O GLN A 70 8.649 -5.868 14.081 1.00 0.45 O ATOM 1071 CB GLN A 70 10.324 -3.707 13.403 1.00 0.43 C ATOM 1072 CG GLN A 70 11.603 -3.569 12.588 1.00 0.61 C ATOM 1073 CD GLN A 70 11.889 -4.785 11.725 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.482 -5.901 12.047 1.00 1.14 O ATOM 1075 NE2 GLN A 70 12.593 -4.578 10.624 1.00 1.29 N ATOM 0 H GLN A 70 8.291 -2.309 13.411 1.00 0.31 H new ATOM 0 HA GLN A 70 9.372 -4.058 11.506 1.00 0.33 H new ATOM 0 HB2 GLN A 70 10.141 -2.774 13.937 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.465 -4.483 14.156 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.528 -2.687 11.951 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.442 -3.404 13.264 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.912 -3.637 10.392 1.00 1.29 H new ATOM 0 HE22 GLN A 70 12.816 -5.359 10.007 1.00 1.29 H new ATOM 1084 N THR A 71 8.023 -6.135 11.937 1.00 0.29 N ATOM 1085 CA THR A 71 7.496 -7.474 12.139 1.00 0.33 C ATOM 1086 C THR A 71 7.637 -8.310 10.859 1.00 0.30 C ATOM 1087 O THR A 71 6.720 -8.371 10.036 1.00 0.38 O ATOM 1088 CB THR A 71 6.016 -7.422 12.587 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.861 -6.471 13.660 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.539 -8.793 13.043 1.00 0.58 C ATOM 0 H THR A 71 7.934 -5.789 10.982 1.00 0.29 H new ATOM 0 HA THR A 71 8.077 -7.949 12.930 1.00 0.33 H new ATOM 0 HB THR A 71 5.411 -7.111 11.735 1.00 0.43 H new ATOM 0 HG1 THR A 71 4.922 -6.442 13.938 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.496 -8.731 13.353 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.631 -9.502 12.221 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.148 -9.129 13.882 1.00 0.58 H new ATOM 1098 N PRO A 72 8.809 -8.941 10.664 1.00 0.30 N ATOM 1099 CA PRO A 72 9.077 -9.774 9.484 1.00 0.33 C ATOM 1100 C PRO A 72 8.150 -10.983 9.414 1.00 0.31 C ATOM 1101 O PRO A 72 8.238 -11.892 10.246 1.00 0.44 O ATOM 1102 CB PRO A 72 10.530 -10.218 9.673 1.00 0.44 C ATOM 1103 CG PRO A 72 10.798 -10.059 11.131 1.00 0.50 C ATOM 1104 CD PRO A 72 9.967 -8.891 11.572 1.00 0.41 C ATOM 0 HA PRO A 72 8.909 -9.230 8.555 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.671 -11.252 9.357 1.00 0.44 H new ATOM 0 HB3 PRO A 72 11.209 -9.607 9.078 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.527 -10.961 11.679 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.857 -9.879 11.317 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.665 -8.983 12.615 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.511 -7.951 11.479 1.00 0.41 H new ATOM 1112 N ASN A 73 7.263 -10.994 8.424 1.00 0.28 N ATOM 1113 CA ASN A 73 6.319 -12.092 8.269 1.00 0.31 C ATOM 1114 C ASN A 73 5.814 -12.197 6.829 1.00 0.28 C ATOM 1115 O ASN A 73 5.940 -11.255 6.042 1.00 0.31 O ATOM 1116 CB ASN A 73 5.128 -11.903 9.219 1.00 0.38 C ATOM 1117 CG ASN A 73 4.407 -13.208 9.507 1.00 0.72 C ATOM 1118 OD1 ASN A 73 3.633 -13.695 8.681 1.00 1.01 O ATOM 1119 ND2 ASN A 73 4.648 -13.781 10.676 1.00 1.26 N ATOM 0 H ASN A 73 7.179 -10.259 7.722 1.00 0.28 H new ATOM 0 HA ASN A 73 6.842 -13.016 8.516 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.479 -11.470 10.156 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.427 -11.192 8.782 1.00 0.38 H new ATOM 0 HD21 ASN A 73 4.186 -14.657 10.919 1.00 1.26 H new ATOM 0 HD22 ASN A 73 5.296 -13.346 11.333 1.00 1.26 H new ATOM 1126 N GLU A 74 5.217 -13.344 6.504 1.00 0.28 N ATOM 1127 CA GLU A 74 4.681 -13.596 5.164 1.00 0.30 C ATOM 1128 C GLU A 74 3.672 -12.516 4.765 1.00 0.28 C ATOM 1129 O GLU A 74 3.446 -12.270 3.580 1.00 0.31 O ATOM 1130 CB GLU A 74 3.976 -14.952 5.114 1.00 0.37 C ATOM 1131 CG GLU A 74 4.759 -16.103 5.725 1.00 0.45 C ATOM 1132 CD GLU A 74 3.895 -17.330 5.946 1.00 0.56 C ATOM 1133 OE1 GLU A 74 2.743 -17.183 6.407 1.00 0.66 O ATOM 1134 OE2 GLU A 74 4.365 -18.450 5.671 1.00 0.79 O ATOM 0 H GLU A 74 5.091 -14.119 7.155 1.00 0.28 H new ATOM 0 HA GLU A 74 5.522 -13.586 4.471 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.020 -14.867 5.631 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.756 -15.193 4.074 1.00 0.37 H new ATOM 0 HG2 GLU A 74 5.593 -16.361 5.072 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.186 -15.785 6.676 1.00 0.45 H new ATOM 1141 N GLU A 75 3.061 -11.886 5.767 1.00 0.28 N ATOM 1142 CA GLU A 75 2.068 -10.836 5.539 1.00 0.30 C ATOM 1143 C GLU A 75 2.626 -9.694 4.683 1.00 0.34 C ATOM 1144 O GLU A 75 1.864 -8.869 4.177 1.00 0.60 O ATOM 1145 CB GLU A 75 1.567 -10.285 6.878 1.00 0.37 C ATOM 1146 CG GLU A 75 1.102 -11.363 7.851 1.00 0.49 C ATOM 1147 CD GLU A 75 -0.069 -12.190 7.337 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.574 -11.920 6.229 1.00 1.21 O ATOM 1149 OE2 GLU A 75 -0.507 -13.109 8.055 1.00 1.26 O ATOM 0 H GLU A 75 3.238 -12.086 6.751 1.00 0.28 H new ATOM 0 HA GLU A 75 1.238 -11.285 4.993 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.365 -9.708 7.344 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.743 -9.597 6.692 1.00 0.37 H new ATOM 0 HG2 GLU A 75 1.937 -12.029 8.068 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.817 -10.892 8.792 1.00 0.49 H new ATOM 1156 N CYS A 76 3.947 -9.642 4.518 1.00 0.25 N ATOM 1157 CA CYS A 76 4.572 -8.592 3.723 1.00 0.28 C ATOM 1158 C CYS A 76 4.607 -8.946 2.227 1.00 0.28 C ATOM 1159 O CYS A 76 5.203 -8.218 1.428 1.00 0.36 O ATOM 1160 CB CYS A 76 5.990 -8.334 4.232 1.00 0.31 C ATOM 1161 SG CYS A 76 6.560 -6.633 4.022 1.00 0.49 S ATOM 0 H CYS A 76 4.600 -10.312 4.923 1.00 0.25 H new ATOM 0 HA CYS A 76 3.970 -7.690 3.832 1.00 0.28 H new ATOM 0 HB2 CYS A 76 6.036 -8.592 5.290 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.677 -9.001 3.712 1.00 0.31 H new ATOM 0 HG CYS A 76 5.799 -5.833 4.708 1.00 0.49 H new ATOM 1167 N LEU A 77 3.977 -10.059 1.842 1.00 0.27 N ATOM 1168 CA LEU A 77 3.955 -10.469 0.440 1.00 0.31 C ATOM 1169 C LEU A 77 2.689 -9.957 -0.244 1.00 0.25 C ATOM 1170 O LEU A 77 1.606 -10.535 -0.089 1.00 0.31 O ATOM 1171 CB LEU A 77 4.049 -11.994 0.320 1.00 0.41 C ATOM 1172 CG LEU A 77 5.459 -12.576 0.454 1.00 0.54 C ATOM 1173 CD1 LEU A 77 6.374 -12.015 -0.623 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.028 -12.294 1.835 1.00 0.58 C ATOM 0 H LEU A 77 3.481 -10.685 2.476 1.00 0.27 H new ATOM 0 HA LEU A 77 4.821 -10.033 -0.059 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.415 -12.442 1.085 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.641 -12.292 -0.646 1.00 0.41 H new ATOM 0 HG LEU A 77 5.395 -13.656 0.324 1.00 0.54 H new ATOM 0 HD11 LEU A 77 7.371 -12.440 -0.511 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.979 -12.271 -1.606 1.00 0.76 H new ATOM 0 HD13 LEU A 77 6.429 -10.931 -0.525 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.030 -12.716 1.909 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.075 -11.217 1.996 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.387 -12.746 2.592 1.00 0.58 H new ATOM 1186 N PHE A 78 2.833 -8.881 -1.012 1.00 0.21 N ATOM 1187 CA PHE A 78 1.705 -8.274 -1.706 1.00 0.21 C ATOM 1188 C PHE A 78 1.808 -8.481 -3.213 1.00 0.19 C ATOM 1189 O PHE A 78 2.832 -8.950 -3.720 1.00 0.23 O ATOM 1190 CB PHE A 78 1.638 -6.776 -1.391 1.00 0.26 C ATOM 1191 CG PHE A 78 1.662 -6.468 0.078 1.00 0.29 C ATOM 1192 CD1 PHE A 78 2.867 -6.289 0.737 1.00 0.32 C ATOM 1193 CD2 PHE A 78 0.484 -6.353 0.797 1.00 0.46 C ATOM 1194 CE1 PHE A 78 2.897 -6.003 2.087 1.00 0.38 C ATOM 1195 CE2 PHE A 78 0.507 -6.065 2.148 1.00 0.53 C ATOM 1196 CZ PHE A 78 1.715 -5.891 2.794 1.00 0.45 C ATOM 0 H PHE A 78 3.724 -8.411 -1.169 1.00 0.21 H new ATOM 0 HA PHE A 78 0.794 -8.759 -1.356 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.477 -6.274 -1.872 1.00 0.26 H new ATOM 0 HB3 PHE A 78 0.728 -6.362 -1.825 1.00 0.26 H new ATOM 0 HD1 PHE A 78 3.793 -6.374 0.188 1.00 0.32 H new ATOM 0 HD2 PHE A 78 -0.463 -6.490 0.296 1.00 0.46 H new ATOM 0 HE1 PHE A 78 3.843 -5.867 2.590 1.00 0.38 H new ATOM 0 HE2 PHE A 78 -0.418 -5.976 2.698 1.00 0.53 H new ATOM 0 HZ PHE A 78 1.736 -5.668 3.850 1.00 0.45 H new ATOM 1206 N LEU A 79 0.734 -8.142 -3.918 1.00 0.21 N ATOM 1207 CA LEU A 79 0.679 -8.263 -5.371 1.00 0.21 C ATOM 1208 C LEU A 79 0.391 -6.890 -5.976 1.00 0.20 C ATOM 1209 O LEU A 79 -0.645 -6.290 -5.673 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.422 -9.260 -5.767 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.234 -9.981 -7.106 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.076 -8.988 -8.246 1.00 0.34 C ATOM 1213 CD2 LEU A 79 0.952 -10.932 -7.039 1.00 0.35 C ATOM 0 H LEU A 79 -0.121 -7.776 -3.500 1.00 0.21 H new ATOM 0 HA LEU A 79 1.634 -8.630 -5.748 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.502 -10.012 -4.982 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.372 -8.727 -5.796 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.130 -10.569 -7.304 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.056 -9.528 -9.183 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.966 -8.362 -8.310 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.796 -8.360 -8.063 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.070 -11.435 -7.999 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.857 -10.369 -6.811 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.780 -11.674 -6.259 1.00 0.35 H new ATOM 1225 N GLU A 80 1.303 -6.391 -6.807 1.00 0.21 N ATOM 1226 CA GLU A 80 1.122 -5.081 -7.433 1.00 0.22 C ATOM 1227 C GLU A 80 0.592 -5.223 -8.855 1.00 0.22 C ATOM 1228 O GLU A 80 1.303 -5.686 -9.756 1.00 0.35 O ATOM 1229 CB GLU A 80 2.428 -4.275 -7.453 1.00 0.28 C ATOM 1230 CG GLU A 80 2.313 -2.980 -8.253 1.00 0.33 C ATOM 1231 CD GLU A 80 3.523 -2.080 -8.118 1.00 0.36 C ATOM 1232 OE1 GLU A 80 3.601 -1.334 -7.120 1.00 0.45 O ATOM 1233 OE2 GLU A 80 4.398 -2.093 -9.015 1.00 0.57 O ATOM 0 H GLU A 80 2.168 -6.868 -7.062 1.00 0.21 H new ATOM 0 HA GLU A 80 0.392 -4.541 -6.830 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.720 -4.039 -6.430 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.222 -4.889 -7.877 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.166 -3.224 -9.305 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.427 -2.437 -7.925 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.655 -4.823 -9.055 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.273 -4.885 -10.365 1.00 0.23 C ATOM 1242 C ARG A 81 -1.328 -3.488 -10.977 1.00 0.20 C ATOM 1243 O ARG A 81 -2.268 -2.726 -10.733 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.677 -5.480 -10.259 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.308 -5.791 -11.603 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.719 -6.333 -11.443 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.195 -6.975 -12.669 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.482 -7.117 -13.000 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -7.439 -6.676 -12.188 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.807 -7.709 -14.148 1.00 1.02 N ATOM 0 H ARG A 81 -1.258 -4.451 -8.322 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.676 -5.528 -11.012 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.631 -6.395 -9.668 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.318 -4.783 -9.719 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.331 -4.888 -12.213 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.695 -6.519 -12.134 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.742 -7.051 -10.624 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.393 -5.520 -11.173 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.496 -7.339 -13.316 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -7.193 -6.226 -11.306 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -8.419 -6.788 -12.447 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -6.075 -8.052 -14.770 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.788 -7.820 -14.405 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.299 -3.142 -11.743 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.226 -1.838 -12.388 1.00 0.24 C ATOM 1266 C LEU A 82 -0.852 -1.903 -13.773 1.00 0.27 C ATOM 1267 O LEU A 82 -0.350 -2.596 -14.657 1.00 0.40 O ATOM 1268 CB LEU A 82 1.231 -1.370 -12.489 1.00 0.32 C ATOM 1269 CG LEU A 82 1.440 -0.022 -13.190 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.711 1.085 -12.443 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.924 0.299 -13.308 1.00 0.54 C ATOM 0 H LEU A 82 0.498 -3.750 -11.932 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.780 -1.120 -11.783 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.645 -1.305 -11.483 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.803 -2.130 -13.021 1.00 0.32 H new ATOM 0 HG LEU A 82 1.025 -0.091 -14.196 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.870 2.035 -12.954 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.356 0.863 -12.414 1.00 0.43 H new ATOM 0 HD13 LEU A 82 1.096 1.152 -11.425 1.00 0.43 H new ATOM 0 HD21 LEU A 82 3.050 1.259 -13.808 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.366 0.347 -12.313 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.420 -0.480 -13.888 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.950 -1.182 -13.960 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.642 -1.174 -15.246 1.00 0.36 C ATOM 1285 C GLU A 83 -2.189 -0.007 -16.129 1.00 0.44 C ATOM 1286 O GLU A 83 -2.792 0.249 -17.171 1.00 1.00 O ATOM 1287 CB GLU A 83 -4.154 -1.112 -15.032 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.952 -1.693 -16.188 1.00 0.67 C ATOM 1289 CD GLU A 83 -6.437 -1.445 -16.055 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -7.031 -1.883 -15.049 1.00 1.19 O ATOM 1291 OE2 GLU A 83 -7.018 -0.812 -16.958 1.00 1.24 O ATOM 0 H GLU A 83 -2.380 -0.598 -13.243 1.00 0.28 H new ATOM 0 HA GLU A 83 -2.387 -2.100 -15.762 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.407 -1.651 -14.119 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -4.450 -0.074 -14.882 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -4.598 -1.259 -17.123 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.771 -2.766 -16.246 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.157 0.719 -15.692 1.00 0.37 N ATOM 1299 CA GLU A 84 -0.601 1.851 -16.447 1.00 0.38 C ATOM 1300 C GLU A 84 -1.526 3.077 -16.451 1.00 0.31 C ATOM 1301 O GLU A 84 -1.044 4.209 -16.415 1.00 0.32 O ATOM 1302 CB GLU A 84 -0.243 1.432 -17.883 1.00 0.50 C ATOM 1303 CG GLU A 84 -1.222 1.902 -18.955 1.00 0.90 C ATOM 1304 CD GLU A 84 -0.768 1.536 -20.350 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -0.919 0.360 -20.741 1.00 1.14 O ATOM 1306 OE2 GLU A 84 -0.252 2.418 -21.064 1.00 1.23 O ATOM 0 H GLU A 84 -0.682 0.541 -14.807 1.00 0.37 H new ATOM 0 HA GLU A 84 0.312 2.149 -15.931 1.00 0.38 H new ATOM 0 HB2 GLU A 84 0.748 1.819 -18.122 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.179 0.345 -17.923 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -2.201 1.462 -18.767 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -1.340 2.983 -18.886 1.00 0.90 H new ATOM 1313 N ASN A 85 -2.841 2.856 -16.508 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.824 3.944 -16.514 1.00 0.37 C ATOM 1315 C ASN A 85 -3.782 4.759 -15.212 1.00 0.29 C ATOM 1316 O ASN A 85 -4.758 4.809 -14.465 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.235 3.371 -16.742 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.337 4.418 -16.653 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -6.120 5.602 -16.925 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.533 3.987 -16.275 1.00 0.79 N ATOM 0 H ASN A 85 -3.254 1.924 -16.551 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.570 4.621 -17.330 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.272 2.898 -17.723 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.425 2.591 -16.005 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.311 4.642 -16.201 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.674 3.000 -16.058 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.636 5.384 -14.948 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.428 6.215 -13.757 1.00 0.33 C ATOM 1329 C HIS A 86 -3.014 5.580 -12.486 1.00 0.30 C ATOM 1330 O HIS A 86 -3.397 6.291 -11.555 1.00 0.38 O ATOM 1331 CB HIS A 86 -3.026 7.614 -13.974 1.00 0.45 C ATOM 1332 CG HIS A 86 -4.525 7.661 -13.936 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -5.312 7.584 -15.064 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -5.383 7.778 -12.892 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -6.583 7.653 -14.719 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -6.655 7.773 -13.407 1.00 0.71 N ATOM 0 H HIS A 86 -1.819 5.330 -15.556 1.00 0.28 H new ATOM 0 HA HIS A 86 -1.351 6.297 -13.608 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -2.634 8.286 -13.210 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -2.687 7.995 -14.937 1.00 0.45 H new ATOM 0 HD1 HIS A 86 -4.965 7.488 -16.018 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -5.115 7.860 -11.849 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -7.423 7.617 -15.396 1.00 0.78 H new ATOM 1345 N TYR A 87 -3.061 4.253 -12.437 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.604 3.557 -11.277 1.00 0.34 C ATOM 1347 C TYR A 87 -3.177 2.092 -11.264 1.00 0.24 C ATOM 1348 O TYR A 87 -2.755 1.541 -12.287 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.140 3.689 -11.236 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.910 2.471 -11.715 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -6.105 2.232 -13.070 1.00 0.83 C ATOM 1352 CD2 TYR A 87 -6.450 1.568 -10.804 1.00 0.51 C ATOM 1353 CE1 TYR A 87 -6.814 1.130 -13.505 1.00 1.03 C ATOM 1354 CE2 TYR A 87 -7.159 0.462 -11.231 1.00 0.75 C ATOM 1355 CZ TYR A 87 -7.339 0.245 -12.581 1.00 0.95 C ATOM 1356 OH TYR A 87 -8.051 -0.857 -13.011 1.00 1.27 O ATOM 0 H TYR A 87 -2.731 3.641 -13.183 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.199 4.025 -10.380 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.442 3.909 -10.212 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.431 4.545 -11.845 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.695 2.920 -13.795 1.00 0.83 H new ATOM 0 HD2 TYR A 87 -6.312 1.735 -9.746 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -6.958 0.960 -14.562 1.00 1.03 H new ATOM 0 HE2 TYR A 87 -7.571 -0.230 -10.511 1.00 0.75 H new ATOM 0 HH TYR A 87 -7.938 -0.962 -13.979 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.283 1.475 -10.095 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.909 0.077 -9.915 1.00 0.20 C ATOM 1368 C ASN A 88 -3.784 -0.568 -8.843 1.00 0.20 C ATOM 1369 O ASN A 88 -4.558 0.118 -8.172 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.432 -0.021 -9.511 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.235 -0.030 -8.005 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.441 1.116 -7.371 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.924 -1.062 -7.416 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.629 1.926 -9.248 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.058 -0.451 -10.857 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -1.003 -0.929 -9.935 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.886 0.819 -9.940 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.774 -1.924 -7.941 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.815 -1.057 -6.402 1.00 0.24 H new ATOM 1380 N THR A 89 -3.659 -1.879 -8.688 1.00 0.23 N ATOM 1381 CA THR A 89 -4.421 -2.612 -7.690 1.00 0.26 C ATOM 1382 C THR A 89 -3.493 -3.453 -6.810 1.00 0.21 C ATOM 1383 O THR A 89 -2.657 -4.206 -7.317 1.00 0.25 O ATOM 1384 CB THR A 89 -5.486 -3.522 -8.342 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.214 -3.692 -9.744 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.879 -2.939 -8.159 1.00 0.72 C ATOM 0 H THR A 89 -3.032 -2.459 -9.246 1.00 0.23 H new ATOM 0 HA THR A 89 -4.933 -1.876 -7.071 1.00 0.26 H new ATOM 0 HB THR A 89 -5.443 -4.494 -7.850 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.056 -3.670 -10.246 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.613 -3.596 -8.626 1.00 0.72 H new ATOM 0 HG22 THR A 89 -7.098 -2.848 -7.095 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.925 -1.955 -8.625 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.636 -3.305 -5.495 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.818 -4.045 -4.536 1.00 0.21 C ATOM 1396 C TYR A 90 -3.656 -5.092 -3.811 1.00 0.23 C ATOM 1397 O TYR A 90 -4.658 -4.755 -3.173 1.00 0.28 O ATOM 1398 CB TYR A 90 -2.201 -3.094 -3.505 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.991 -2.330 -3.997 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.231 -2.963 -4.171 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.072 -0.969 -4.262 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.343 -2.260 -4.594 1.00 0.29 C ATOM 1403 CE2 TYR A 90 0.033 -0.261 -4.689 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.239 -0.908 -4.852 1.00 0.31 C ATOM 1405 OH TYR A 90 2.342 -0.198 -5.265 1.00 0.36 O ATOM 0 H TYR A 90 -4.315 -2.675 -5.067 1.00 0.21 H new ATOM 0 HA TYR A 90 -2.022 -4.541 -5.091 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.961 -2.380 -3.188 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.917 -3.669 -2.624 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.315 -4.021 -3.973 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.014 -0.457 -4.132 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.289 -2.766 -4.722 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.047 0.796 -4.895 1.00 0.31 H new ATOM 0 HH TYR A 90 2.921 -0.777 -5.803 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.245 -6.353 -3.906 1.00 0.22 N ATOM 1416 CA ILE A 91 -3.952 -7.443 -3.240 1.00 0.26 C ATOM 1417 C ILE A 91 -2.990 -8.269 -2.389 1.00 0.27 C ATOM 1418 O ILE A 91 -1.776 -8.271 -2.626 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.677 -8.376 -4.239 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.687 -8.987 -5.234 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.774 -7.621 -4.973 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.289 -10.074 -6.101 1.00 0.31 C ATOM 0 H ILE A 91 -2.425 -6.646 -4.438 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.706 -6.979 -2.604 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.134 -9.188 -3.674 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.296 -8.197 -5.876 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.841 -9.399 -4.685 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.273 -8.293 -5.671 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.499 -7.242 -4.253 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.337 -6.787 -5.522 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.529 -10.460 -6.781 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.655 -10.883 -5.469 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.117 -9.662 -6.678 1.00 0.31 H new ATOM 1434 N SER A 92 -3.540 -8.959 -1.399 1.00 0.33 N ATOM 1435 CA SER A 92 -2.748 -9.792 -0.503 1.00 0.37 C ATOM 1436 C SER A 92 -2.326 -11.087 -1.197 1.00 0.31 C ATOM 1437 O SER A 92 -3.126 -12.009 -1.351 1.00 0.44 O ATOM 1438 CB SER A 92 -3.553 -10.102 0.762 1.00 0.50 C ATOM 1439 OG SER A 92 -4.182 -8.931 1.258 1.00 0.82 O ATOM 0 H SER A 92 -4.539 -8.958 -1.195 1.00 0.33 H new ATOM 0 HA SER A 92 -1.845 -9.248 -0.227 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.305 -10.860 0.543 1.00 0.50 H new ATOM 0 HB3 SER A 92 -2.895 -10.518 1.525 1.00 0.50 H new ATOM 0 HG SER A 92 -4.692 -9.151 2.065 1.00 0.82 H new ATOM 1445 N LYS A 93 -1.062 -11.149 -1.606 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.529 -12.327 -2.283 1.00 0.31 C ATOM 1447 C LYS A 93 -0.639 -13.558 -1.385 1.00 0.29 C ATOM 1448 O LYS A 93 -1.178 -14.587 -1.792 1.00 0.35 O ATOM 1449 CB LYS A 93 0.932 -12.094 -2.692 1.00 0.42 C ATOM 1450 CG LYS A 93 1.430 -13.036 -3.779 1.00 0.55 C ATOM 1451 CD LYS A 93 2.020 -14.313 -3.200 1.00 0.74 C ATOM 1452 CE LYS A 93 3.290 -14.038 -2.409 1.00 0.80 C ATOM 1453 NZ LYS A 93 4.257 -15.163 -2.498 1.00 0.80 N ATOM 0 H LYS A 93 -0.386 -10.395 -1.480 1.00 0.31 H new ATOM 0 HA LYS A 93 -1.119 -12.502 -3.183 1.00 0.31 H new ATOM 0 HB2 LYS A 93 1.042 -11.066 -3.038 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.566 -12.204 -1.812 1.00 0.42 H new ATOM 0 HG2 LYS A 93 0.606 -13.288 -4.446 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.184 -12.529 -4.381 1.00 0.55 H new ATOM 0 HD2 LYS A 93 1.285 -14.793 -2.553 1.00 0.74 H new ATOM 0 HD3 LYS A 93 2.238 -15.012 -4.008 1.00 0.74 H new ATOM 0 HE2 LYS A 93 3.759 -13.127 -2.781 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.035 -13.861 -1.364 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 5.128 -14.913 -1.987 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 3.839 -16.015 -2.073 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 4.482 -15.349 -3.496 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.130 -13.441 -0.160 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.180 -14.541 0.801 1.00 0.31 C ATOM 1469 C LYS A 94 -1.616 -15.020 1.013 1.00 0.31 C ATOM 1470 O LYS A 94 -1.875 -16.222 1.071 1.00 0.56 O ATOM 1471 CB LYS A 94 0.432 -14.112 2.143 1.00 0.36 C ATOM 1472 CG LYS A 94 0.024 -14.991 3.316 1.00 0.55 C ATOM 1473 CD LYS A 94 0.712 -14.563 4.603 1.00 0.55 C ATOM 1474 CE LYS A 94 0.091 -15.228 5.825 1.00 0.63 C ATOM 1475 NZ LYS A 94 0.265 -16.706 5.816 1.00 0.69 N ATOM 0 H LYS A 94 0.321 -12.596 0.190 1.00 0.28 H new ATOM 0 HA LYS A 94 0.403 -15.367 0.393 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.518 -14.122 2.055 1.00 0.36 H new ATOM 0 HB3 LYS A 94 0.138 -13.084 2.353 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -1.057 -14.944 3.448 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.274 -16.029 3.097 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.771 -14.816 4.550 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.648 -13.480 4.707 1.00 0.55 H new ATOM 0 HE2 LYS A 94 0.543 -14.817 6.728 1.00 0.63 H new ATOM 0 HE3 LYS A 94 -0.972 -14.990 5.864 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 -0.114 -17.105 6.698 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 -0.246 -17.111 5.006 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.276 -16.936 5.738 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.545 -14.076 1.108 1.00 0.27 N ATOM 1490 CA HIS A 95 -3.947 -14.410 1.329 1.00 0.28 C ATOM 1491 C HIS A 95 -4.716 -14.434 0.011 1.00 0.27 C ATOM 1492 O HIS A 95 -5.773 -13.817 -0.108 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.599 -13.415 2.299 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.949 -13.371 3.650 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.560 -13.810 4.808 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.729 -12.921 4.021 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.741 -13.626 5.828 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.624 -13.091 5.373 1.00 0.50 N ATOM 0 H HIS A 95 -2.354 -13.077 1.036 1.00 0.27 H new ATOM 0 HA HIS A 95 -3.985 -15.405 1.772 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.567 -12.419 1.858 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.650 -13.676 2.420 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -1.976 -12.504 3.369 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.950 -13.872 6.859 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.812 -12.844 5.939 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.182 -15.155 -0.973 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.827 -15.264 -2.282 1.00 0.35 C ATOM 1509 C ALA A 96 -6.309 -15.622 -2.133 1.00 0.34 C ATOM 1510 O ALA A 96 -7.150 -15.173 -2.917 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.110 -16.298 -3.140 1.00 0.44 C ATOM 0 H ALA A 96 -3.306 -15.672 -0.890 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.762 -14.295 -2.777 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.601 -16.369 -4.111 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.071 -15.998 -3.279 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.144 -17.268 -2.645 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.621 -16.425 -1.118 1.00 0.34 N ATOM 1518 CA GLU A 97 -7.995 -16.839 -0.849 1.00 0.38 C ATOM 1519 C GLU A 97 -8.865 -15.625 -0.527 1.00 0.37 C ATOM 1520 O GLU A 97 -10.014 -15.534 -0.964 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.040 -17.831 0.321 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.025 -18.959 0.214 1.00 0.57 C ATOM 1523 CD GLU A 97 -6.858 -19.467 -1.203 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -7.848 -19.946 -1.791 1.00 0.97 O ATOM 1525 OE2 GLU A 97 -5.733 -19.391 -1.736 1.00 0.93 O ATOM 0 H GLU A 97 -5.935 -16.804 -0.465 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.383 -17.328 -1.743 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.869 -17.289 1.251 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.040 -18.260 0.382 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.061 -18.611 0.586 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.336 -19.783 0.856 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.295 -14.690 0.225 1.00 0.33 N ATOM 1533 CA LYS A 98 -8.990 -13.475 0.619 1.00 0.38 C ATOM 1534 C LYS A 98 -8.276 -12.263 0.027 1.00 0.37 C ATOM 1535 O LYS A 98 -7.940 -11.305 0.732 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.057 -13.382 2.147 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.683 -14.609 2.791 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.735 -14.493 4.304 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.840 -13.553 4.758 1.00 0.78 C ATOM 1540 NZ LYS A 98 -11.011 -13.574 6.234 1.00 0.89 N ATOM 0 H LYS A 98 -7.340 -14.755 0.577 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.010 -13.497 0.236 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.050 -13.245 2.541 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.631 -12.499 2.427 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.692 -14.747 2.403 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -9.111 -15.495 2.515 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.895 -15.479 4.739 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.775 -14.133 4.675 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.610 -12.538 4.433 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.777 -13.836 4.279 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.773 -12.920 6.504 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -11.255 -14.537 6.542 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -10.124 -13.279 6.690 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.045 -12.322 -1.279 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.366 -11.251 -2.001 1.00 0.48 C ATOM 1556 C ASN A 99 -8.239 -9.997 -2.072 1.00 0.44 C ATOM 1557 O ASN A 99 -8.834 -9.691 -3.111 1.00 0.78 O ATOM 1558 CB ASN A 99 -6.973 -11.714 -3.416 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.142 -12.285 -4.205 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.093 -12.825 -3.639 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.080 -12.185 -5.525 1.00 1.07 N ATOM 0 H ASN A 99 -8.321 -13.109 -1.866 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.457 -11.001 -1.453 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.551 -10.871 -3.963 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -6.191 -12.469 -3.340 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -8.833 -12.561 -6.101 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.279 -11.732 -5.965 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.329 -9.293 -0.950 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.115 -8.067 -0.868 1.00 0.32 C ATOM 1570 C TRP A 100 -8.260 -6.859 -1.245 1.00 0.32 C ATOM 1571 O TRP A 100 -7.042 -6.865 -1.048 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.682 -7.879 0.542 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.810 -8.807 0.867 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.736 -9.979 1.563 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.184 -8.638 0.511 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.980 -10.550 1.658 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.887 -9.745 1.022 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.889 -7.655 -0.186 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.261 -9.896 0.850 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.251 -7.806 -0.357 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.925 -8.916 0.162 1.00 1.08 C ATOM 0 H TRP A 100 -7.865 -9.552 -0.079 1.00 0.33 H new ATOM 0 HA TRP A 100 -9.944 -8.150 -1.571 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.882 -8.026 1.268 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.027 -6.851 0.651 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.830 -10.396 1.978 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -12.194 -11.431 2.126 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.378 -6.791 -0.585 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.783 -10.755 1.245 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.805 -7.055 -0.900 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.992 -9.002 0.017 1.00 1.08 H new ATOM 1592 N PHE A 101 -8.905 -5.824 -1.772 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.208 -4.611 -2.187 1.00 0.29 C ATOM 1594 C PHE A 101 -7.899 -3.720 -0.987 1.00 0.29 C ATOM 1595 O PHE A 101 -8.761 -3.486 -0.135 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.042 -3.842 -3.213 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.342 -4.635 -4.455 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -8.453 -4.646 -5.518 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -10.512 -5.373 -4.556 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -8.725 -5.377 -6.659 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -10.788 -6.105 -5.696 1.00 0.64 C ATOM 1602 CZ PHE A 101 -9.893 -6.108 -6.748 1.00 0.64 C ATOM 0 H PHE A 101 -9.914 -5.801 -1.923 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.264 -4.905 -2.647 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -9.981 -3.536 -2.751 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.512 -2.931 -3.492 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -7.537 -4.077 -5.454 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.215 -5.376 -3.736 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.024 -5.376 -7.481 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -11.703 -6.674 -5.764 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.106 -6.681 -7.638 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.661 -3.243 -0.920 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.226 -2.374 0.170 1.00 0.35 C ATOM 1614 C VAL A 102 -6.685 -0.935 -0.055 1.00 0.55 C ATOM 1615 O VAL A 102 -7.274 -0.615 -1.086 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.689 -2.398 0.340 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.213 -3.795 0.710 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -3.992 -1.899 -0.922 1.00 0.82 C ATOM 0 H VAL A 102 -5.937 -3.444 -1.610 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.685 -2.759 1.080 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.426 -1.723 1.154 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.129 -3.791 0.825 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.677 -4.101 1.648 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.492 -4.495 -0.078 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -2.912 -1.926 -0.776 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.261 -2.538 -1.763 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.305 -0.876 -1.130 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.421 -0.070 0.918 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.808 1.317 0.793 1.00 0.46 C ATOM 1630 C GLY A 103 -7.148 1.951 2.130 1.00 0.41 C ATOM 1631 O GLY A 103 -7.733 1.305 3.005 1.00 0.59 O ATOM 0 H GLY A 103 -5.946 -0.307 1.789 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -5.997 1.876 0.326 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.670 1.392 0.130 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.803 3.224 2.275 1.00 0.37 N ATOM 1636 CA LEU A 104 -7.064 3.958 3.507 1.00 0.34 C ATOM 1637 C LEU A 104 -7.792 5.274 3.210 1.00 0.34 C ATOM 1638 O LEU A 104 -8.371 5.444 2.128 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.740 4.238 4.237 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.771 5.174 3.505 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -4.038 6.065 4.497 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.779 4.371 2.673 1.00 0.66 C ATOM 0 H LEU A 104 -6.339 3.772 1.551 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.704 3.350 4.146 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.966 4.668 5.213 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -5.236 3.288 4.416 1.00 0.38 H new ATOM 0 HG LEU A 104 -5.348 5.810 2.833 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.355 6.723 3.960 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.761 6.666 5.049 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.473 5.446 5.194 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -3.099 5.052 2.160 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -3.208 3.710 3.325 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.319 3.776 1.937 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.786 6.174 4.189 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.395 7.493 4.065 1.00 0.41 C ATOM 1656 C LYS A 105 -7.448 8.529 4.667 1.00 0.32 C ATOM 1657 O LYS A 105 -6.797 8.253 5.677 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.753 7.534 4.777 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.429 8.901 4.741 1.00 0.58 C ATOM 1660 CD LYS A 105 -10.880 9.274 3.336 1.00 0.61 C ATOM 1661 CE LYS A 105 -11.455 10.684 3.293 1.00 0.73 C ATOM 1662 NZ LYS A 105 -11.786 11.115 1.906 1.00 0.60 N ATOM 0 H LYS A 105 -7.355 6.006 5.098 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.565 7.716 3.012 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.415 6.800 4.318 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.617 7.234 5.816 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.290 8.898 5.410 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -9.738 9.658 5.113 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.036 9.203 2.650 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.631 8.563 2.992 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.353 10.727 3.909 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -10.737 11.381 3.727 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -11.414 12.072 1.742 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.357 10.455 1.226 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -12.818 11.119 1.781 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.375 9.712 4.053 1.00 0.36 N ATOM 1677 CA LYS A 106 -6.484 10.786 4.520 1.00 0.46 C ATOM 1678 C LYS A 106 -6.484 10.924 6.045 1.00 0.51 C ATOM 1679 O LYS A 106 -5.451 11.232 6.639 1.00 0.67 O ATOM 1680 CB LYS A 106 -6.863 12.122 3.874 1.00 0.60 C ATOM 1681 CG LYS A 106 -8.253 12.617 4.239 1.00 0.67 C ATOM 1682 CD LYS A 106 -8.459 14.058 3.801 1.00 0.90 C ATOM 1683 CE LYS A 106 -9.842 14.559 4.173 1.00 1.14 C ATOM 1684 NZ LYS A 106 -10.030 15.992 3.820 1.00 1.43 N ATOM 0 H LYS A 106 -7.923 9.955 3.228 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.474 10.511 4.216 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -6.132 12.875 4.168 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -6.798 12.021 2.791 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.003 11.981 3.769 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -8.398 12.538 5.316 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -7.704 14.692 4.265 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -8.321 14.135 2.723 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -10.595 13.958 3.662 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -10.000 14.426 5.243 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -10.988 16.294 4.091 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -9.329 16.569 4.327 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -9.905 16.116 2.795 1.00 1.43 H new ATOM 1698 N ASN A 107 -7.640 10.695 6.671 1.00 0.53 N ATOM 1699 CA ASN A 107 -7.762 10.791 8.129 1.00 0.70 C ATOM 1700 C ASN A 107 -6.750 9.880 8.839 1.00 0.65 C ATOM 1701 O ASN A 107 -6.401 10.119 9.997 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.189 10.435 8.566 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.403 10.576 10.065 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.217 9.626 10.825 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -9.808 11.759 10.502 1.00 1.38 N ATOM 0 H ASN A 107 -8.505 10.442 6.193 1.00 0.53 H new ATOM 0 HA ASN A 107 -7.545 11.820 8.415 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -9.895 11.079 8.041 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -9.410 9.410 8.268 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -9.976 11.905 11.497 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -9.952 12.524 9.843 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.283 8.846 8.144 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.323 7.927 8.725 1.00 0.55 C ATOM 1714 C GLY A 108 -5.977 6.639 9.183 1.00 0.52 C ATOM 1715 O GLY A 108 -5.812 6.225 10.331 1.00 1.00 O ATOM 0 H GLY A 108 -6.555 8.629 7.185 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.549 7.700 7.992 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -4.830 8.405 9.572 1.00 0.55 H new ATOM 1719 N SER A 109 -6.732 6.010 8.289 1.00 0.52 N ATOM 1720 CA SER A 109 -7.422 4.766 8.610 1.00 0.56 C ATOM 1721 C SER A 109 -7.597 3.898 7.363 1.00 0.51 C ATOM 1722 O SER A 109 -8.033 4.384 6.315 1.00 0.81 O ATOM 1723 CB SER A 109 -8.791 5.068 9.233 1.00 0.75 C ATOM 1724 OG SER A 109 -8.687 6.015 10.290 1.00 0.97 O ATOM 0 H SER A 109 -6.882 6.341 7.336 1.00 0.52 H new ATOM 0 HA SER A 109 -6.813 4.216 9.328 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.464 5.450 8.466 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.231 4.145 9.612 1.00 0.75 H new ATOM 0 HG SER A 109 -9.576 6.187 10.664 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.248 2.620 7.482 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.375 1.677 6.376 1.00 0.38 C ATOM 1732 C CYS A 110 -8.745 0.995 6.409 1.00 0.36 C ATOM 1733 O CYS A 110 -9.340 0.843 7.478 1.00 0.54 O ATOM 1734 CB CYS A 110 -6.262 0.626 6.444 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.592 1.304 6.290 1.00 0.61 S ATOM 0 H CYS A 110 -6.873 2.212 8.339 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.282 2.228 5.440 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.339 0.092 7.391 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -6.420 -0.106 5.652 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.778 0.628 7.045 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.245 0.594 5.242 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.547 -0.066 5.159 1.00 0.44 C ATOM 1743 C LYS A 111 -10.481 -1.297 4.254 1.00 0.47 C ATOM 1744 O LYS A 111 -11.257 -1.426 3.307 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.618 0.909 4.651 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.893 2.077 5.588 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.417 1.606 6.936 1.00 0.79 C ATOM 1748 CE LYS A 111 -12.785 2.779 7.832 1.00 0.94 C ATOM 1749 NZ LYS A 111 -13.181 2.340 9.197 1.00 1.27 N ATOM 0 H LYS A 111 -8.772 0.713 4.346 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.820 -0.392 6.162 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.307 1.300 3.682 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.546 0.360 4.490 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -10.977 2.650 5.734 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.619 2.748 5.130 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.291 0.973 6.786 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.661 0.994 7.428 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -11.937 3.460 7.903 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -13.605 3.337 7.379 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -13.423 3.172 9.773 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -14.007 1.711 9.133 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -12.390 1.830 9.641 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.550 -2.199 4.553 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.384 -3.421 3.770 1.00 0.36 C ATOM 1765 C ARG A 112 -10.290 -4.526 4.313 1.00 0.37 C ATOM 1766 O ARG A 112 -10.898 -5.278 3.550 1.00 0.47 O ATOM 1767 CB ARG A 112 -7.921 -3.883 3.800 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.461 -4.601 2.536 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.142 -5.952 2.352 1.00 0.55 C ATOM 1770 NE ARG A 112 -7.626 -6.970 3.276 1.00 0.81 N ATOM 1771 CZ ARG A 112 -8.388 -7.757 4.056 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -9.714 -7.621 4.085 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -7.814 -8.683 4.826 1.00 1.57 N ATOM 0 H ARG A 112 -8.898 -2.107 5.332 1.00 0.36 H new ATOM 0 HA ARG A 112 -9.664 -3.209 2.738 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.282 -3.015 3.963 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -7.780 -4.548 4.652 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.667 -3.973 1.670 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.381 -4.744 2.576 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.215 -5.838 2.504 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -7.999 -6.291 1.326 1.00 0.55 H new ATOM 0 HE ARG A 112 -6.614 -7.089 3.330 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.167 -6.911 3.509 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -10.276 -8.227 4.683 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -6.800 -8.792 4.822 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -8.389 -9.281 5.419 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.361 -4.623 5.638 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.180 -5.636 6.277 1.00 0.43 C ATOM 1789 C GLY A 113 -12.659 -5.289 6.313 1.00 0.41 C ATOM 1790 O GLY A 113 -13.493 -6.130 5.976 1.00 0.46 O ATOM 0 H GLY A 113 -9.861 -4.012 6.284 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -11.050 -6.582 5.751 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.826 -5.787 7.297 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.017 -4.057 6.731 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.419 -3.619 6.822 1.00 0.50 C ATOM 1796 C PRO A 114 -15.216 -3.868 5.538 1.00 0.41 C ATOM 1797 O PRO A 114 -16.144 -4.681 5.529 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.305 -2.118 7.110 1.00 0.62 C ATOM 1799 CG PRO A 114 -12.983 -1.960 7.776 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.085 -3.002 7.171 1.00 0.52 C ATOM 0 HA PRO A 114 -14.962 -4.176 7.586 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.358 -1.533 6.192 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.116 -1.776 7.753 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.582 -0.959 7.615 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.070 -2.099 8.854 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.512 -2.600 6.335 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.366 -3.381 7.897 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.854 -3.174 4.461 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.549 -3.311 3.186 1.00 0.39 C ATOM 1810 C ARG A 115 -14.827 -2.521 2.096 1.00 0.44 C ATOM 1811 O ARG A 115 -14.699 -1.298 2.193 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.994 -2.812 3.323 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.772 -2.787 2.015 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.852 -1.715 2.034 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.288 -0.371 2.197 1.00 0.90 N ATOM 1816 CZ ARG A 115 -18.998 0.710 2.542 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.312 0.620 2.738 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.391 1.884 2.684 1.00 1.47 N ATOM 0 H ARG A 115 -14.080 -2.509 4.448 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.558 -4.364 2.905 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.521 -3.449 4.034 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.981 -1.807 3.744 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -17.088 -2.603 1.186 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -18.227 -3.762 1.842 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.423 -1.759 1.106 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.549 -1.917 2.847 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.288 -0.252 2.037 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.784 -0.277 2.625 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -20.846 1.448 3.001 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.386 1.960 2.530 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -18.931 2.709 2.947 1.00 1.47 H new ATOM 1832 N THR A 116 -14.368 -3.218 1.064 1.00 0.36 N ATOM 1833 CA THR A 116 -13.659 -2.582 -0.039 1.00 0.38 C ATOM 1834 C THR A 116 -14.297 -2.975 -1.375 1.00 0.39 C ATOM 1835 O THR A 116 -14.512 -4.157 -1.648 1.00 0.51 O ATOM 1836 CB THR A 116 -12.154 -2.951 -0.026 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.448 -2.199 -1.024 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.946 -4.443 -0.265 1.00 0.58 C ATOM 0 H THR A 116 -14.475 -4.228 0.968 1.00 0.36 H new ATOM 0 HA THR A 116 -13.738 -1.502 0.085 1.00 0.38 H new ATOM 0 HB THR A 116 -11.761 -2.703 0.960 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.491 -2.401 -0.970 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.880 -4.669 -0.250 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.448 -5.010 0.518 1.00 0.58 H new ATOM 0 HG23 THR A 116 -12.361 -4.718 -1.235 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.609 -1.971 -2.194 1.00 0.37 N ATOM 1847 CA HIS A 117 -15.241 -2.183 -3.497 1.00 0.39 C ATOM 1848 C HIS A 117 -15.768 -0.863 -4.053 1.00 0.36 C ATOM 1849 O HIS A 117 -15.352 -0.412 -5.119 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.403 -3.190 -3.399 1.00 0.43 C ATOM 1851 CG HIS A 117 -16.076 -4.555 -3.922 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -16.789 -5.681 -3.573 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -15.112 -4.971 -4.776 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -16.275 -6.732 -4.186 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -15.255 -6.329 -4.923 1.00 0.89 N ATOM 0 H HIS A 117 -14.432 -0.991 -1.975 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.482 -2.588 -4.167 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.708 -3.276 -2.356 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -17.258 -2.797 -3.950 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.368 -4.350 -5.253 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -16.629 -7.749 -4.099 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -14.670 -6.928 -5.505 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.679 -0.244 -3.311 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.278 1.020 -3.725 1.00 0.41 C ATOM 1866 C TYR A 118 -16.362 2.187 -3.386 1.00 0.39 C ATOM 1867 O TYR A 118 -15.741 2.211 -2.320 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.640 1.215 -3.050 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.586 0.047 -3.234 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -20.042 -0.313 -4.496 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -20.019 -0.697 -2.143 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.899 -1.381 -4.666 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.877 -1.766 -2.304 1.00 0.87 C ATOM 1874 CZ TYR A 118 -21.314 -2.104 -3.568 1.00 0.86 C ATOM 1875 OH TYR A 118 -22.169 -3.171 -3.733 1.00 1.05 O ATOM 0 H TYR A 118 -17.020 -0.598 -2.417 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.419 0.989 -4.805 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.486 1.381 -1.984 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -19.107 2.115 -3.449 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.720 0.252 -5.358 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.678 -0.434 -1.152 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.243 -1.649 -5.654 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -21.204 -2.334 -1.446 1.00 0.87 H new ATOM 0 HH TYR A 118 -22.363 -3.573 -2.860 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.284 3.151 -4.298 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.445 4.312 -4.087 1.00 0.39 C ATOM 1887 C GLY A 119 -14.034 4.101 -4.600 1.00 0.37 C ATOM 1888 O GLY A 119 -13.306 3.242 -4.096 1.00 0.44 O ATOM 0 H GLY A 119 -16.791 3.146 -5.183 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.887 5.173 -4.588 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.412 4.545 -3.023 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.638 4.898 -5.591 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.300 4.797 -6.179 1.00 0.38 C ATOM 1894 C GLN A 120 -11.228 4.666 -5.098 1.00 0.37 C ATOM 1895 O GLN A 120 -10.226 3.981 -5.289 1.00 0.34 O ATOM 1896 CB GLN A 120 -11.998 6.013 -7.055 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.882 6.117 -8.286 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.486 7.268 -9.188 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.695 7.105 -10.115 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.025 8.445 -8.917 1.00 1.00 N ATOM 0 H GLN A 120 -14.224 5.622 -6.005 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.284 3.899 -6.797 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.115 6.917 -6.458 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.955 5.972 -7.370 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.829 5.184 -8.848 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.919 6.243 -7.975 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -13.678 8.540 -8.139 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -12.788 9.258 -9.486 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.453 5.313 -3.955 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.511 5.262 -2.836 1.00 0.61 C ATOM 1911 C LYS A 121 -10.128 3.818 -2.476 1.00 0.58 C ATOM 1912 O LYS A 121 -9.132 3.595 -1.781 1.00 0.70 O ATOM 1913 CB LYS A 121 -11.107 5.960 -1.605 1.00 0.89 C ATOM 1914 CG LYS A 121 -12.186 5.150 -0.902 1.00 1.06 C ATOM 1915 CD LYS A 121 -11.809 4.846 0.541 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.167 3.470 0.679 1.00 1.34 C ATOM 1917 NZ LYS A 121 -9.678 3.528 0.715 1.00 1.70 N ATOM 0 H LYS A 121 -12.282 5.881 -3.779 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.606 5.783 -3.150 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -10.306 6.173 -0.897 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.526 6.919 -1.910 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -13.127 5.700 -0.925 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.349 4.216 -1.440 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -11.119 5.607 0.905 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -12.699 4.897 1.168 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.530 2.995 1.590 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.481 2.842 -0.155 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -9.299 2.583 0.928 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.320 3.844 -0.209 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.374 4.197 1.451 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.937 2.847 -2.897 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.659 1.444 -2.613 1.00 0.65 C ATOM 1933 C ALA A 122 -9.918 0.755 -3.766 1.00 0.57 C ATOM 1934 O ALA A 122 -9.378 -0.336 -3.592 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.956 0.710 -2.306 1.00 0.77 C ATOM 0 H ALA A 122 -11.789 3.008 -3.435 1.00 0.54 H new ATOM 0 HA ALA A 122 -10.004 1.408 -1.742 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.740 -0.337 -2.095 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.434 1.164 -1.438 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.624 0.777 -3.165 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.885 1.390 -4.939 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.216 0.810 -6.102 1.00 0.48 C ATOM 1943 C ILE A 123 -8.597 1.903 -6.983 1.00 0.41 C ATOM 1944 O ILE A 123 -8.664 1.839 -8.213 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.195 -0.044 -6.958 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.073 -0.947 -6.080 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.428 -0.892 -7.963 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.322 -0.264 -5.564 1.00 0.79 C ATOM 0 H ILE A 123 -10.312 2.301 -5.107 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.426 0.162 -5.722 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.846 0.647 -7.494 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.362 -1.828 -6.654 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -10.485 -1.298 -5.232 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.130 -1.482 -8.552 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.855 -0.243 -8.625 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -8.749 -1.559 -7.433 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -12.892 -0.963 -4.952 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.042 0.601 -4.962 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -12.932 0.063 -6.406 1.00 0.79 H new ATOM 1960 N LEU A 124 -7.987 2.904 -6.354 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.363 3.997 -7.093 1.00 0.29 C ATOM 1962 C LEU A 124 -6.098 4.474 -6.386 1.00 0.26 C ATOM 1963 O LEU A 124 -6.116 5.462 -5.644 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.351 5.155 -7.273 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.867 6.302 -8.166 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.535 5.794 -9.562 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.918 7.399 -8.235 1.00 0.58 C ATOM 0 H LEU A 124 -7.912 2.981 -5.340 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.082 3.628 -8.079 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.277 4.758 -7.690 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.592 5.560 -6.290 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.959 6.718 -7.729 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.193 6.625 -10.180 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.749 5.042 -9.498 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.425 5.351 -10.009 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.559 8.207 -8.873 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.841 6.993 -8.648 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.108 7.785 -7.233 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.002 3.749 -6.600 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.720 4.093 -5.991 1.00 0.23 C ATOM 1981 C PHE A 125 -2.668 4.308 -7.071 1.00 0.17 C ATOM 1982 O PHE A 125 -2.579 3.525 -8.026 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.252 2.993 -5.029 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.346 2.063 -4.575 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.248 2.449 -3.597 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.471 0.799 -5.134 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.252 1.593 -3.186 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.472 -0.059 -4.727 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.364 0.337 -3.752 1.00 0.54 C ATOM 0 H PHE A 125 -4.977 2.918 -7.192 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.854 5.014 -5.424 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.472 2.408 -5.516 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.801 3.460 -4.153 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -5.166 3.429 -3.151 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -3.776 0.483 -5.898 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.949 1.905 -2.423 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -5.557 -1.040 -5.171 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.148 -0.333 -3.432 1.00 0.54 H new ATOM 1999 N LEU A 126 -1.879 5.364 -6.915 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.832 5.699 -7.867 1.00 0.19 C ATOM 2001 C LEU A 126 0.547 5.490 -7.240 1.00 0.20 C ATOM 2002 O LEU A 126 1.008 6.311 -6.440 1.00 0.33 O ATOM 2003 CB LEU A 126 -0.988 7.152 -8.334 1.00 0.32 C ATOM 2004 CG LEU A 126 0.044 7.619 -9.365 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.162 6.905 -10.695 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.030 9.129 -9.546 1.00 0.59 C ATOM 0 H LEU A 126 -1.948 6.009 -6.128 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.923 5.040 -8.731 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -1.984 7.275 -8.759 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -0.930 7.805 -7.463 1.00 0.32 H new ATOM 0 HG LEU A 126 1.038 7.366 -8.996 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.581 7.251 -11.413 1.00 0.44 H new ATOM 0 HD12 LEU A 126 -0.054 5.830 -10.551 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.161 7.122 -11.074 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.710 9.444 -10.282 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.026 9.406 -9.892 1.00 0.59 H new ATOM 0 HD23 LEU A 126 0.173 9.620 -8.594 1.00 0.59 H new ATOM 2018 N PRO A 127 1.204 4.361 -7.558 1.00 0.21 N ATOM 2019 CA PRO A 127 2.524 4.033 -7.057 1.00 0.29 C ATOM 2020 C PRO A 127 3.615 4.360 -8.078 1.00 0.25 C ATOM 2021 O PRO A 127 3.482 4.040 -9.260 1.00 0.38 O ATOM 2022 CB PRO A 127 2.409 2.526 -6.858 1.00 0.42 C ATOM 2023 CG PRO A 127 1.504 2.069 -7.962 1.00 0.43 C ATOM 2024 CD PRO A 127 0.706 3.277 -8.418 1.00 0.32 C ATOM 0 HA PRO A 127 2.801 4.589 -6.162 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.384 2.042 -6.918 1.00 0.42 H new ATOM 0 HB3 PRO A 127 1.994 2.286 -5.879 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.083 1.656 -8.788 1.00 0.43 H new ATOM 0 HG3 PRO A 127 0.840 1.279 -7.612 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.872 3.493 -9.473 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.365 3.122 -8.289 1.00 0.32 H new ATOM 2032 N LEU A 128 4.688 4.996 -7.623 1.00 0.22 N ATOM 2033 CA LEU A 128 5.792 5.349 -8.513 1.00 0.21 C ATOM 2034 C LEU A 128 6.278 4.114 -9.281 1.00 0.23 C ATOM 2035 O LEU A 128 6.584 3.081 -8.674 1.00 0.26 O ATOM 2036 CB LEU A 128 6.954 5.964 -7.726 1.00 0.23 C ATOM 2037 CG LEU A 128 8.104 6.505 -8.580 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.646 7.713 -9.386 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.293 6.866 -7.706 1.00 0.37 C ATOM 0 H LEU A 128 4.819 5.277 -6.651 1.00 0.22 H new ATOM 0 HA LEU A 128 5.426 6.088 -9.225 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.566 6.776 -7.111 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.351 5.210 -7.046 1.00 0.23 H new ATOM 0 HG LEU A 128 8.414 5.725 -9.275 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.476 8.085 -9.987 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.824 7.423 -10.041 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.310 8.497 -8.707 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.101 7.249 -8.330 1.00 0.37 H new ATOM 0 HD22 LEU A 128 8.997 7.630 -6.987 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.635 5.979 -7.173 1.00 0.37 H new ATOM 2051 N PRO A 129 6.341 4.206 -10.622 1.00 0.27 N ATOM 2052 CA PRO A 129 6.781 3.100 -11.485 1.00 0.33 C ATOM 2053 C PRO A 129 8.254 2.737 -11.268 1.00 0.33 C ATOM 2054 O PRO A 129 9.093 2.927 -12.155 1.00 0.67 O ATOM 2055 CB PRO A 129 6.555 3.635 -12.913 1.00 0.45 C ATOM 2056 CG PRO A 129 5.656 4.813 -12.756 1.00 0.47 C ATOM 2057 CD PRO A 129 5.975 5.392 -11.412 1.00 0.30 C ATOM 0 HA PRO A 129 6.232 2.182 -11.274 1.00 0.33 H new ATOM 0 HB2 PRO A 129 7.498 3.920 -13.380 1.00 0.45 H new ATOM 0 HB3 PRO A 129 6.101 2.876 -13.550 1.00 0.45 H new ATOM 0 HG2 PRO A 129 5.826 5.543 -13.547 1.00 0.47 H new ATOM 0 HG3 PRO A 129 4.609 4.517 -12.816 1.00 0.47 H new ATOM 0 HD2 PRO A 129 6.793 6.110 -11.465 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.120 5.915 -10.984 1.00 0.30 H new ATOM 2065 N VAL A 130 8.561 2.219 -10.084 1.00 0.37 N ATOM 2066 CA VAL A 130 9.926 1.823 -9.743 1.00 0.35 C ATOM 2067 C VAL A 130 9.956 0.439 -9.087 1.00 0.38 C ATOM 2068 O VAL A 130 10.786 0.173 -8.216 1.00 0.57 O ATOM 2069 CB VAL A 130 10.599 2.851 -8.804 1.00 0.40 C ATOM 2070 CG1 VAL A 130 10.839 4.166 -9.532 1.00 0.47 C ATOM 2071 CG2 VAL A 130 9.762 3.073 -7.552 1.00 0.44 C ATOM 0 H VAL A 130 7.881 2.062 -9.340 1.00 0.37 H new ATOM 0 HA VAL A 130 10.485 1.785 -10.678 1.00 0.35 H new ATOM 0 HB VAL A 130 11.564 2.448 -8.497 1.00 0.40 H new ATOM 0 HG11 VAL A 130 11.313 4.876 -8.854 1.00 0.47 H new ATOM 0 HG12 VAL A 130 11.489 3.994 -10.390 1.00 0.47 H new ATOM 0 HG13 VAL A 130 9.887 4.572 -9.874 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.257 3.800 -6.908 1.00 0.44 H new ATOM 0 HG22 VAL A 130 8.778 3.448 -7.834 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.651 2.130 -7.017 1.00 0.44 H new ATOM 2081 N SER A 131 9.045 -0.438 -9.507 1.00 0.34 N ATOM 2082 CA SER A 131 8.979 -1.790 -8.962 1.00 0.40 C ATOM 2083 C SER A 131 9.672 -2.785 -9.901 1.00 0.39 C ATOM 2084 O SER A 131 10.069 -2.429 -11.016 1.00 0.47 O ATOM 2085 CB SER A 131 7.522 -2.209 -8.733 1.00 0.50 C ATOM 2086 OG SER A 131 6.671 -1.083 -8.562 1.00 0.88 O ATOM 0 H SER A 131 8.345 -0.236 -10.221 1.00 0.34 H new ATOM 0 HA SER A 131 9.498 -1.795 -8.004 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.176 -2.801 -9.580 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.461 -2.848 -7.852 1.00 0.50 H new ATOM 0 HG SER A 131 5.751 -1.330 -8.793 1.00 0.88 H new ATOM 2092 N SER A 132 9.815 -4.026 -9.449 1.00 0.48 N ATOM 2093 CA SER A 132 10.464 -5.063 -10.243 1.00 0.54 C ATOM 2094 C SER A 132 9.476 -5.671 -11.237 1.00 0.49 C ATOM 2095 O SER A 132 8.681 -6.542 -10.882 1.00 0.96 O ATOM 2096 CB SER A 132 11.045 -6.151 -9.326 1.00 0.76 C ATOM 2097 OG SER A 132 11.753 -5.580 -8.230 1.00 1.03 O ATOM 0 H SER A 132 9.489 -4.339 -8.534 1.00 0.48 H new ATOM 0 HA SER A 132 11.281 -4.611 -10.805 1.00 0.54 H new ATOM 0 HB2 SER A 132 10.239 -6.783 -8.952 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.714 -6.793 -9.899 1.00 0.76 H new ATOM 0 HG SER A 132 11.717 -4.603 -8.291 1.00 1.03 H new ATOM 2103 N ASP A 133 9.513 -5.184 -12.473 1.00 0.56 N ATOM 2104 CA ASP A 133 8.629 -5.681 -13.527 1.00 0.58 C ATOM 2105 C ASP A 133 9.036 -7.090 -13.943 1.00 0.63 C ATOM 2106 O ASP A 133 10.160 -7.259 -14.454 1.00 0.80 O ATOM 2107 CB ASP A 133 8.652 -4.741 -14.740 1.00 0.80 C ATOM 2108 CG ASP A 133 8.191 -5.416 -16.021 1.00 0.92 C ATOM 2109 OD1 ASP A 133 7.033 -5.883 -16.080 1.00 1.06 O ATOM 2110 OD2 ASP A 133 8.986 -5.478 -16.980 1.00 1.07 O ATOM 2111 OXT ASP A 133 8.236 -8.026 -13.745 1.00 0.75 O ATOM 0 H ASP A 133 10.147 -4.443 -12.772 1.00 0.56 H new ATOM 0 HA ASP A 133 7.613 -5.713 -13.134 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.014 -3.881 -14.539 1.00 0.80 H new ATOM 0 HB3 ASP A 133 9.664 -4.361 -14.880 1.00 0.80 H new TER 2116 ASP A 133 HETATM 2117 C1 IHP A 134 -16.214 4.643 3.595 1.00 3.43 C HETATM 2118 C2 IHP A 134 -16.251 4.232 2.118 1.00 3.47 C HETATM 2119 C3 IHP A 134 -16.899 5.358 1.276 1.00 3.73 C HETATM 2120 C4 IHP A 134 -16.060 6.629 1.420 1.00 3.79 C HETATM 2121 C5 IHP A 134 -15.994 7.062 2.898 1.00 3.74 C HETATM 2122 C6 IHP A 134 -15.392 5.932 3.749 1.00 3.46 C HETATM 2123 O11 IHP A 134 -15.609 3.618 4.390 1.00 3.86 O HETATM 2124 P1 IHP A 134 -16.419 2.962 5.625 1.00 4.66 P HETATM 2125 O21 IHP A 134 -17.736 2.398 5.250 1.00 4.95 O HETATM 2126 O31 IHP A 134 -16.577 4.131 6.715 1.00 4.87 O HETATM 2127 O41 IHP A 134 -15.459 1.859 6.278 1.00 5.52 O HETATM 2128 O12 IHP A 134 -14.955 3.969 1.615 1.00 3.50 O HETATM 2129 P2 IHP A 134 -14.594 2.515 1.026 1.00 4.17 P HETATM 2130 O22 IHP A 134 -13.767 1.766 2.002 1.00 4.60 O HETATM 2131 O32 IHP A 134 -15.996 1.778 0.749 1.00 4.76 O HETATM 2132 O42 IHP A 134 -13.831 2.771 -0.353 1.00 4.45 O HETATM 2133 O13 IHP A 134 -16.932 4.979 -0.100 1.00 4.32 O HETATM 2134 P3 IHP A 134 -18.326 4.907 -0.908 1.00 5.22 P HETATM 2135 O23 IHP A 134 -19.220 5.990 -0.434 1.00 5.53 O HETATM 2136 O33 IHP A 134 -18.933 3.447 -0.605 1.00 5.46 O HETATM 2137 O43 IHP A 134 -18.013 5.054 -2.477 1.00 6.00 O HETATM 2138 O14 IHP A 134 -16.649 7.687 0.663 1.00 4.60 O HETATM 2139 P4 IHP A 134 -15.822 8.390 -0.528 1.00 5.38 P HETATM 2140 O24 IHP A 134 -15.073 7.365 -1.293 1.00 5.62 O HETATM 2141 O34 IHP A 134 -14.844 9.424 0.220 1.00 5.44 O HETATM 2142 O44 IHP A 134 -16.851 9.199 -1.452 1.00 6.32 O HETATM 2143 O15 IHP A 134 -15.190 8.223 3.039 1.00 4.36 O HETATM 2144 P5 IHP A 134 -15.809 9.569 3.670 1.00 5.27 P HETATM 2145 O25 IHP A 134 -16.979 10.000 2.874 1.00 5.62 O HETATM 2146 O35 IHP A 134 -16.232 9.213 5.186 1.00 5.32 O HETATM 2147 O45 IHP A 134 -14.654 10.677 3.684 1.00 6.16 O HETATM 2148 O16 IHP A 134 -15.344 6.340 5.120 1.00 4.02 O HETATM 2149 P6 IHP A 134 -13.944 6.441 5.905 1.00 4.66 P HETATM 2150 O26 IHP A 134 -14.126 6.885 7.315 1.00 5.55 O HETATM 2151 O36 IHP A 134 -13.103 7.503 5.040 1.00 4.84 O HETATM 2152 O46 IHP A 134 -13.223 5.010 5.829 1.00 4.67 O HETATM 0 H6 IHP A 134 -14.379 5.726 3.404 1.00 3.46 H new HETATM 0 H5 IHP A 134 -17.007 7.281 3.236 1.00 3.74 H new HETATM 0 H4 IHP A 134 -15.055 6.420 1.054 1.00 3.79 H new HETATM 0 H3 IHP A 134 -17.916 5.532 1.627 1.00 3.73 H new HETATM 0 H2 IHP A 134 -16.840 3.318 2.046 1.00 3.47 H new HETATM 0 H1 IHP A 134 -17.238 4.802 3.932 1.00 3.43 H new