USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 THR OG1 : rot 160:sc= 1.02 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 165:sc= 1.19 (180deg=-0.00508) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.4 USER MOD Set 2.2: A 124 SER OG : rot -101:sc= 0.199 USER MOD Set 3.1: A 54 ASN :FLIP amide:sc= -1.17 X(o=-1.8!,f=-1.7) USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= -0.517 F(o=-6!,f=-1.7) USER MOD Set 4.1: A 16 TYR OH : rot -133:sc= 0.544 USER MOD Set 4.2: A 20 GLN :FLIP amide:sc= -0.437 F(o=-5!,f=-3.5) USER MOD Set 4.3: A 52 GLN :FLIP amide:sc= -3.64! F(o=-5.2,f=-3.5!) USER MOD Set 4.4: A 107 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 9 SER OG : rot 79:sc= 0.712 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -76:sc= 1.23 USER MOD Single : A 36 THR OG1 : rot -96:sc= 0.401 USER MOD Single : A 37 SER OG : rot -46:sc= 0.756 USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -2.92! (180deg=-3.61!) USER MOD Single : A 43 THR OG1 : rot 90:sc= -0.601! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.99) USER MOD Single : A 62 MET CE :methyl -151:sc= -0.156 (180deg=-1.22) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0538) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.678 F(o=-2.9!,f=-0.68) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= 0.426 (180deg=-1.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 160:sc= -0.181 (180deg=-2.06) USER MOD Single : A 83 HIS :FLIP no HE2:sc= 0.448 F(o=-1.5!,f=0.45) USER MOD Single : A 97 THR OG1 : rot 65:sc= 0.571 USER MOD Single : A 100 SER OG : rot -130:sc= -0.17 USER MOD Single : A 108 HIS : no HD1:sc= 0.0303 K(o=0.03,f=-3.3!) USER MOD Single : A 110 LYS NZ :NH3+ 169:sc= 1.03 (180deg=0.714) USER MOD Single : A 111 THR OG1 : rot 80:sc= 0.686 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.13 X(o=0.13,f=-0.046) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 75:sc= -0.829 USER MOD Single : A 139 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.19) USER MOD Single : A 140 GLN : amide:sc= -0.0044 X(o=-0.0044,f=-0.0044) USER MOD Single : A 151 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 2.301 -1.833 -4.277 1.00 51.34 N ATOM 36 CA ASP A 3 2.782 -1.701 -5.658 1.00 60.43 C ATOM 37 C ASP A 3 1.895 -2.475 -6.654 1.00 4.21 C ATOM 38 O ASP A 3 0.919 -3.128 -6.264 1.00 41.20 O ATOM 39 CB ASP A 3 4.228 -2.192 -5.740 1.00 61.23 C ATOM 40 CG ASP A 3 4.364 -3.628 -5.271 1.00 62.44 C ATOM 41 OD1 ASP A 3 4.521 -3.844 -4.052 1.00 31.15 O ATOM 42 OD2 ASP A 3 4.304 -4.539 -6.119 1.00 23.01 O ATOM 0 HA ASP A 3 2.733 -0.648 -5.936 1.00 60.43 H new ATOM 0 HB2 ASP A 3 4.582 -2.111 -6.768 1.00 61.23 H new ATOM 0 HB3 ASP A 3 4.865 -1.549 -5.132 1.00 61.23 H new ATOM 47 N GLU A 4 2.236 -2.395 -7.941 1.00 53.35 N ATOM 48 CA GLU A 4 1.463 -3.076 -8.990 1.00 42.22 C ATOM 49 C GLU A 4 1.503 -4.603 -8.829 1.00 2.20 C ATOM 50 O GLU A 4 0.473 -5.271 -8.924 1.00 40.02 O ATOM 51 CB GLU A 4 1.988 -2.700 -10.385 1.00 1.45 C ATOM 52 CG GLU A 4 1.177 -3.318 -11.526 1.00 14.04 C ATOM 53 CD GLU A 4 1.760 -3.047 -12.905 1.00 70.54 C ATOM 54 OE1 GLU A 4 2.444 -2.018 -13.084 1.00 45.33 O ATOM 55 OE2 GLU A 4 1.512 -3.848 -13.832 1.00 12.31 O ATOM 0 H GLU A 4 3.039 -1.868 -8.285 1.00 53.35 H new ATOM 0 HA GLU A 4 0.430 -2.745 -8.887 1.00 42.22 H new ATOM 0 HB2 GLU A 4 1.978 -1.615 -10.488 1.00 1.45 H new ATOM 0 HB3 GLU A 4 3.026 -3.019 -10.473 1.00 1.45 H new ATOM 0 HG2 GLU A 4 1.113 -4.395 -11.373 1.00 14.04 H new ATOM 0 HG3 GLU A 4 0.159 -2.930 -11.489 1.00 14.04 H new ATOM 62 N LEU A 5 2.695 -5.145 -8.580 1.00 60.43 N ATOM 63 CA LEU A 5 2.879 -6.597 -8.436 1.00 74.33 C ATOM 64 C LEU A 5 2.056 -7.146 -7.261 1.00 13.30 C ATOM 65 O LEU A 5 1.467 -8.229 -7.347 1.00 20.43 O ATOM 66 CB LEU A 5 4.369 -6.912 -8.244 1.00 65.10 C ATOM 67 CG LEU A 5 4.726 -8.395 -8.055 1.00 75.41 C ATOM 68 CD1 LEU A 5 4.334 -9.216 -9.283 1.00 45.10 C ATOM 69 CD2 LEU A 5 6.216 -8.544 -7.753 1.00 53.13 C ATOM 0 H LEU A 5 3.552 -4.603 -8.473 1.00 60.43 H new ATOM 0 HA LEU A 5 2.524 -7.084 -9.344 1.00 74.33 H new ATOM 0 HB2 LEU A 5 4.914 -6.535 -9.110 1.00 65.10 H new ATOM 0 HB3 LEU A 5 4.728 -6.359 -7.376 1.00 65.10 H new ATOM 0 HG LEU A 5 4.160 -8.779 -7.207 1.00 75.41 H new ATOM 0 HD11 LEU A 5 4.598 -10.261 -9.121 1.00 45.10 H new ATOM 0 HD12 LEU A 5 3.260 -9.135 -9.447 1.00 45.10 H new ATOM 0 HD13 LEU A 5 4.864 -8.839 -10.157 1.00 45.10 H new ATOM 0 HD21 LEU A 5 6.457 -9.599 -7.621 1.00 53.13 H new ATOM 0 HD22 LEU A 5 6.797 -8.140 -8.582 1.00 53.13 H new ATOM 0 HD23 LEU A 5 6.458 -8.000 -6.840 1.00 53.13 H new ATOM 81 N TYR A 6 2.020 -6.391 -6.165 1.00 32.35 N ATOM 82 CA TYR A 6 1.180 -6.737 -5.015 1.00 22.01 C ATOM 83 C TYR A 6 -0.303 -6.810 -5.419 1.00 65.54 C ATOM 84 O TYR A 6 -0.996 -7.770 -5.086 1.00 13.21 O ATOM 85 CB TYR A 6 1.371 -5.714 -3.883 1.00 32.20 C ATOM 86 CG TYR A 6 0.518 -5.984 -2.650 1.00 11.12 C ATOM 87 CD1 TYR A 6 0.973 -6.813 -1.628 1.00 75.23 C ATOM 88 CD2 TYR A 6 -0.742 -5.408 -2.509 1.00 32.13 C ATOM 89 CE1 TYR A 6 0.199 -7.059 -0.507 1.00 71.13 C ATOM 90 CE2 TYR A 6 -1.520 -5.649 -1.391 1.00 3.41 C ATOM 91 CZ TYR A 6 -1.046 -6.475 -0.393 1.00 40.04 C ATOM 92 OH TYR A 6 -1.821 -6.718 0.723 1.00 54.53 O ATOM 0 H TYR A 6 2.562 -5.535 -6.047 1.00 32.35 H new ATOM 0 HA TYR A 6 1.487 -7.720 -4.657 1.00 22.01 H new ATOM 0 HB2 TYR A 6 2.421 -5.704 -3.590 1.00 32.20 H new ATOM 0 HB3 TYR A 6 1.137 -4.720 -4.263 1.00 32.20 H new ATOM 0 HD1 TYR A 6 1.947 -7.272 -1.711 1.00 75.23 H new ATOM 0 HD2 TYR A 6 -1.119 -4.761 -3.287 1.00 32.13 H new ATOM 0 HE1 TYR A 6 0.568 -7.706 0.275 1.00 71.13 H new ATOM 0 HE2 TYR A 6 -2.494 -5.192 -1.300 1.00 3.41 H new ATOM 0 HH TYR A 6 -2.667 -6.230 0.646 1.00 54.53 H new ATOM 102 N ARG A 7 -0.783 -5.791 -6.140 1.00 53.31 N ATOM 103 CA ARG A 7 -2.182 -5.764 -6.600 1.00 33.11 C ATOM 104 C ARG A 7 -2.489 -6.914 -7.573 1.00 41.12 C ATOM 105 O ARG A 7 -3.526 -7.565 -7.461 1.00 44.34 O ATOM 106 CB ARG A 7 -2.528 -4.416 -7.261 1.00 32.31 C ATOM 107 CG ARG A 7 -3.345 -3.488 -6.368 1.00 32.23 C ATOM 108 CD ARG A 7 -2.509 -2.847 -5.269 1.00 53.32 C ATOM 109 NE ARG A 7 -1.554 -1.879 -5.803 1.00 24.22 N ATOM 110 CZ ARG A 7 -1.866 -0.663 -6.175 1.00 71.24 C ATOM 111 NH1 ARG A 7 -3.092 -0.242 -6.119 1.00 72.02 N ATOM 112 NH2 ARG A 7 -0.945 0.135 -6.603 1.00 45.22 N ATOM 0 H ARG A 7 -0.232 -4.979 -6.417 1.00 53.31 H new ATOM 0 HA ARG A 7 -2.803 -5.892 -5.714 1.00 33.11 H new ATOM 0 HB2 ARG A 7 -1.604 -3.912 -7.544 1.00 32.31 H new ATOM 0 HB3 ARG A 7 -3.083 -4.604 -8.180 1.00 32.31 H new ATOM 0 HG2 ARG A 7 -3.796 -2.706 -6.979 1.00 32.23 H new ATOM 0 HG3 ARG A 7 -4.162 -4.051 -5.916 1.00 32.23 H new ATOM 0 HD2 ARG A 7 -3.167 -2.351 -4.555 1.00 53.32 H new ATOM 0 HD3 ARG A 7 -1.972 -3.623 -4.723 1.00 53.32 H new ATOM 0 HE ARG A 7 -0.580 -2.169 -5.892 1.00 24.22 H new ATOM 0 HH11 ARG A 7 -3.829 -0.861 -5.781 1.00 72.02 H new ATOM 0 HH12 ARG A 7 -3.319 0.708 -6.412 1.00 72.02 H new ATOM 0 HH21 ARG A 7 0.023 -0.183 -6.651 1.00 45.22 H new ATOM 0 HH22 ARG A 7 -1.186 1.083 -6.893 1.00 45.22 H new ATOM 126 N GLN A 8 -1.586 -7.153 -8.524 1.00 3.41 N ATOM 127 CA GLN A 8 -1.752 -8.242 -9.496 1.00 41.22 C ATOM 128 C GLN A 8 -1.921 -9.588 -8.780 1.00 1.44 C ATOM 129 O GLN A 8 -2.876 -10.328 -9.026 1.00 11.41 O ATOM 130 CB GLN A 8 -0.534 -8.310 -10.429 1.00 21.21 C ATOM 131 CG GLN A 8 -0.632 -9.403 -11.492 1.00 72.43 C ATOM 132 CD GLN A 8 0.657 -9.583 -12.281 1.00 10.41 C ATOM 133 OE1 GLN A 8 1.749 -9.369 -11.771 1.00 73.33 O ATOM 134 NE2 GLN A 8 0.543 -9.971 -13.533 1.00 0.40 N ATOM 0 H GLN A 8 -0.731 -6.609 -8.645 1.00 3.41 H new ATOM 0 HA GLN A 8 -2.648 -8.039 -10.082 1.00 41.22 H new ATOM 0 HB2 GLN A 8 -0.412 -7.346 -10.923 1.00 21.21 H new ATOM 0 HB3 GLN A 8 0.362 -8.477 -9.831 1.00 21.21 H new ATOM 0 HG2 GLN A 8 -0.892 -10.346 -11.012 1.00 72.43 H new ATOM 0 HG3 GLN A 8 -1.442 -9.161 -12.180 1.00 72.43 H new ATOM 0 HE21 GLN A 8 -0.380 -10.142 -13.932 1.00 0.40 H new ATOM 0 HE22 GLN A 8 1.378 -10.101 -14.105 1.00 0.40 H new ATOM 143 N SER A 9 -0.986 -9.887 -7.882 1.00 75.13 N ATOM 144 CA SER A 9 -1.023 -11.126 -7.097 1.00 4.24 C ATOM 145 C SER A 9 -2.280 -11.190 -6.216 1.00 42.41 C ATOM 146 O SER A 9 -2.944 -12.224 -6.141 1.00 64.05 O ATOM 147 CB SER A 9 0.234 -11.237 -6.223 1.00 32.24 C ATOM 148 OG SER A 9 1.413 -11.160 -7.014 1.00 44.15 O ATOM 0 H SER A 9 -0.187 -9.287 -7.676 1.00 75.13 H new ATOM 0 HA SER A 9 -1.053 -11.964 -7.794 1.00 4.24 H new ATOM 0 HB2 SER A 9 0.237 -10.439 -5.481 1.00 32.24 H new ATOM 0 HB3 SER A 9 0.219 -12.180 -5.677 1.00 32.24 H new ATOM 0 HG SER A 9 1.590 -10.225 -7.247 1.00 44.15 H new ATOM 154 N LEU A 10 -2.605 -10.069 -5.567 1.00 23.24 N ATOM 155 CA LEU A 10 -3.793 -9.974 -4.706 1.00 25.54 C ATOM 156 C LEU A 10 -5.080 -10.298 -5.482 1.00 40.44 C ATOM 157 O LEU A 10 -5.918 -11.066 -5.015 1.00 21.32 O ATOM 158 CB LEU A 10 -3.886 -8.566 -4.091 1.00 23.45 C ATOM 159 CG LEU A 10 -5.087 -8.326 -3.156 1.00 75.35 C ATOM 160 CD1 LEU A 10 -5.054 -9.283 -1.967 1.00 53.50 C ATOM 161 CD2 LEU A 10 -5.120 -6.871 -2.682 1.00 71.23 C ATOM 0 H LEU A 10 -2.060 -9.208 -5.620 1.00 23.24 H new ATOM 0 HA LEU A 10 -3.690 -10.711 -3.910 1.00 25.54 H new ATOM 0 HB2 LEU A 10 -2.970 -8.371 -3.534 1.00 23.45 H new ATOM 0 HB3 LEU A 10 -3.927 -7.837 -4.901 1.00 23.45 H new ATOM 0 HG LEU A 10 -5.999 -8.523 -3.720 1.00 75.35 H new ATOM 0 HD11 LEU A 10 -5.912 -9.093 -1.323 1.00 53.50 H new ATOM 0 HD12 LEU A 10 -5.091 -10.311 -2.326 1.00 53.50 H new ATOM 0 HD13 LEU A 10 -4.135 -9.129 -1.402 1.00 53.50 H new ATOM 0 HD21 LEU A 10 -5.975 -6.722 -2.023 1.00 71.23 H new ATOM 0 HD22 LEU A 10 -4.201 -6.644 -2.141 1.00 71.23 H new ATOM 0 HD23 LEU A 10 -5.207 -6.209 -3.544 1.00 71.23 H new ATOM 173 N GLU A 11 -5.221 -9.710 -6.668 1.00 73.42 N ATOM 174 CA GLU A 11 -6.385 -9.951 -7.531 1.00 3.35 C ATOM 175 C GLU A 11 -6.526 -11.447 -7.869 1.00 72.21 C ATOM 176 O GLU A 11 -7.590 -12.042 -7.681 1.00 73.31 O ATOM 177 CB GLU A 11 -6.254 -9.124 -8.823 1.00 63.11 C ATOM 178 CG GLU A 11 -7.407 -9.299 -9.809 1.00 33.54 C ATOM 179 CD GLU A 11 -8.742 -8.800 -9.275 1.00 73.15 C ATOM 180 OE1 GLU A 11 -8.994 -7.577 -9.330 1.00 41.53 O ATOM 181 OE2 GLU A 11 -9.555 -9.627 -8.818 1.00 5.45 O ATOM 0 H GLU A 11 -4.541 -9.058 -7.059 1.00 73.42 H new ATOM 0 HA GLU A 11 -7.282 -9.643 -6.993 1.00 3.35 H new ATOM 0 HB2 GLU A 11 -6.177 -8.070 -8.558 1.00 63.11 H new ATOM 0 HB3 GLU A 11 -5.323 -9.396 -9.320 1.00 63.11 H new ATOM 0 HG2 GLU A 11 -7.171 -8.766 -10.730 1.00 33.54 H new ATOM 0 HG3 GLU A 11 -7.499 -10.354 -10.065 1.00 33.54 H new ATOM 188 N ILE A 12 -5.436 -12.052 -8.344 1.00 43.40 N ATOM 189 CA ILE A 12 -5.428 -13.475 -8.711 1.00 61.02 C ATOM 190 C ILE A 12 -5.808 -14.373 -7.517 1.00 61.11 C ATOM 191 O ILE A 12 -6.690 -15.232 -7.622 1.00 11.34 O ATOM 192 CB ILE A 12 -4.035 -13.903 -9.245 1.00 74.10 C ATOM 193 CG1 ILE A 12 -3.638 -13.045 -10.457 1.00 3.33 C ATOM 194 CG2 ILE A 12 -4.026 -15.389 -9.609 1.00 23.31 C ATOM 195 CD1 ILE A 12 -2.244 -13.331 -10.981 1.00 11.10 C ATOM 0 H ILE A 12 -4.543 -11.580 -8.485 1.00 43.40 H new ATOM 0 HA ILE A 12 -6.173 -13.602 -9.496 1.00 61.02 H new ATOM 0 HB ILE A 12 -3.301 -13.744 -8.455 1.00 74.10 H new ATOM 0 HG12 ILE A 12 -4.358 -13.210 -11.258 1.00 3.33 H new ATOM 0 HG13 ILE A 12 -3.703 -11.992 -10.182 1.00 3.33 H new ATOM 0 HG21 ILE A 12 -3.040 -15.667 -9.981 1.00 23.31 H new ATOM 0 HG22 ILE A 12 -4.260 -15.982 -8.725 1.00 23.31 H new ATOM 0 HG23 ILE A 12 -4.772 -15.579 -10.381 1.00 23.31 H new ATOM 0 HD11 ILE A 12 -2.037 -12.687 -11.836 1.00 11.10 H new ATOM 0 HD12 ILE A 12 -1.513 -13.138 -10.196 1.00 11.10 H new ATOM 0 HD13 ILE A 12 -2.178 -14.375 -11.289 1.00 11.10 H new ATOM 207 N ILE A 13 -5.141 -14.159 -6.384 1.00 13.22 N ATOM 208 CA ILE A 13 -5.374 -14.957 -5.173 1.00 14.31 C ATOM 209 C ILE A 13 -6.787 -14.733 -4.603 1.00 33.02 C ATOM 210 O ILE A 13 -7.506 -15.693 -4.310 1.00 63.24 O ATOM 211 CB ILE A 13 -4.314 -14.633 -4.089 1.00 52.13 C ATOM 212 CG1 ILE A 13 -2.904 -14.957 -4.620 1.00 41.50 C ATOM 213 CG2 ILE A 13 -4.601 -15.401 -2.796 1.00 54.14 C ATOM 214 CD1 ILE A 13 -1.779 -14.544 -3.692 1.00 14.41 C ATOM 0 H ILE A 13 -4.430 -13.436 -6.276 1.00 13.22 H new ATOM 0 HA ILE A 13 -5.286 -16.005 -5.459 1.00 14.31 H new ATOM 0 HB ILE A 13 -4.365 -13.569 -3.859 1.00 52.13 H new ATOM 0 HG12 ILE A 13 -2.834 -16.029 -4.802 1.00 41.50 H new ATOM 0 HG13 ILE A 13 -2.767 -14.461 -5.581 1.00 41.50 H new ATOM 0 HG21 ILE A 13 -3.843 -15.156 -2.052 1.00 54.14 H new ATOM 0 HG22 ILE A 13 -5.585 -15.122 -2.418 1.00 54.14 H new ATOM 0 HG23 ILE A 13 -4.580 -16.472 -2.997 1.00 54.14 H new ATOM 0 HD11 ILE A 13 -0.822 -14.808 -4.141 1.00 14.41 H new ATOM 0 HD12 ILE A 13 -1.819 -13.467 -3.529 1.00 14.41 H new ATOM 0 HD13 ILE A 13 -1.887 -15.060 -2.738 1.00 14.41 H new ATOM 226 N SER A 14 -7.181 -13.466 -4.459 1.00 20.44 N ATOM 227 CA SER A 14 -8.516 -13.115 -3.943 1.00 71.35 C ATOM 228 C SER A 14 -9.614 -13.783 -4.774 1.00 53.12 C ATOM 229 O SER A 14 -10.551 -14.376 -4.228 1.00 14.04 O ATOM 230 CB SER A 14 -8.719 -11.592 -3.942 1.00 71.24 C ATOM 231 OG SER A 14 -9.963 -11.232 -3.358 1.00 63.01 O ATOM 0 H SER A 14 -6.598 -12.662 -4.691 1.00 20.44 H new ATOM 0 HA SER A 14 -8.581 -13.479 -2.918 1.00 71.35 H new ATOM 0 HB2 SER A 14 -7.907 -11.116 -3.392 1.00 71.24 H new ATOM 0 HB3 SER A 14 -8.674 -11.217 -4.965 1.00 71.24 H new ATOM 0 HG SER A 14 -10.061 -10.257 -3.371 1.00 63.01 H new ATOM 237 N ARG A 15 -9.485 -13.694 -6.099 1.00 73.22 N ATOM 238 CA ARG A 15 -10.395 -14.393 -7.010 1.00 40.34 C ATOM 239 C ARG A 15 -10.461 -15.890 -6.690 1.00 52.12 C ATOM 240 O ARG A 15 -11.532 -16.414 -6.401 1.00 12.05 O ATOM 241 CB ARG A 15 -9.965 -14.189 -8.474 1.00 22.51 C ATOM 242 CG ARG A 15 -10.373 -12.838 -9.057 1.00 55.12 C ATOM 243 CD ARG A 15 -9.759 -12.599 -10.439 1.00 73.51 C ATOM 244 NE ARG A 15 -10.767 -12.402 -11.483 1.00 32.25 N ATOM 245 CZ ARG A 15 -11.352 -11.265 -11.740 1.00 21.41 C ATOM 246 NH1 ARG A 15 -11.128 -10.224 -11.000 1.00 23.30 N ATOM 247 NH2 ARG A 15 -12.174 -11.176 -12.737 1.00 10.41 N ATOM 0 H ARG A 15 -8.761 -13.146 -6.565 1.00 73.22 H new ATOM 0 HA ARG A 15 -11.389 -13.967 -6.870 1.00 40.34 H new ATOM 0 HB2 ARG A 15 -8.882 -14.290 -8.542 1.00 22.51 H new ATOM 0 HB3 ARG A 15 -10.398 -14.982 -9.083 1.00 22.51 H new ATOM 0 HG2 ARG A 15 -11.459 -12.788 -9.130 1.00 55.12 H new ATOM 0 HG3 ARG A 15 -10.062 -12.042 -8.380 1.00 55.12 H new ATOM 0 HD2 ARG A 15 -9.111 -11.724 -10.397 1.00 73.51 H new ATOM 0 HD3 ARG A 15 -9.130 -13.449 -10.704 1.00 73.51 H new ATOM 0 HE ARG A 15 -11.030 -13.210 -12.048 1.00 32.25 H new ATOM 0 HH11 ARG A 15 -10.489 -10.289 -10.208 1.00 23.30 H new ATOM 0 HH12 ARG A 15 -11.591 -9.340 -11.210 1.00 23.30 H new ATOM 0 HH21 ARG A 15 -12.362 -11.993 -13.318 1.00 10.41 H new ATOM 0 HH22 ARG A 15 -12.634 -10.289 -12.941 1.00 10.41 H new ATOM 261 N TYR A 16 -9.309 -16.567 -6.707 1.00 21.11 N ATOM 262 CA TYR A 16 -9.265 -18.024 -6.513 1.00 0.22 C ATOM 263 C TYR A 16 -9.977 -18.466 -5.219 1.00 64.23 C ATOM 264 O TYR A 16 -10.748 -19.429 -5.226 1.00 40.13 O ATOM 265 CB TYR A 16 -7.819 -18.536 -6.509 1.00 32.44 C ATOM 266 CG TYR A 16 -7.735 -20.046 -6.384 1.00 25.04 C ATOM 267 CD1 TYR A 16 -8.292 -20.866 -7.359 1.00 3.44 C ATOM 268 CD2 TYR A 16 -7.126 -20.652 -5.290 1.00 64.11 C ATOM 269 CE1 TYR A 16 -8.243 -22.239 -7.250 1.00 53.42 C ATOM 270 CE2 TYR A 16 -7.073 -22.028 -5.176 1.00 41.10 C ATOM 271 CZ TYR A 16 -7.633 -22.816 -6.159 1.00 72.30 C ATOM 272 OH TYR A 16 -7.583 -24.186 -6.057 1.00 32.12 O ATOM 0 H TYR A 16 -8.397 -16.134 -6.852 1.00 21.11 H new ATOM 0 HA TYR A 16 -9.800 -18.463 -7.355 1.00 0.22 H new ATOM 0 HB2 TYR A 16 -7.324 -18.223 -7.428 1.00 32.44 H new ATOM 0 HB3 TYR A 16 -7.277 -18.076 -5.683 1.00 32.44 H new ATOM 0 HD1 TYR A 16 -8.772 -20.419 -8.217 1.00 3.44 H new ATOM 0 HD2 TYR A 16 -6.688 -20.037 -4.518 1.00 64.11 H new ATOM 0 HE1 TYR A 16 -8.681 -22.860 -8.017 1.00 53.42 H new ATOM 0 HE2 TYR A 16 -6.595 -22.484 -4.321 1.00 41.10 H new ATOM 0 HH TYR A 16 -7.853 -24.457 -5.155 1.00 32.12 H new ATOM 282 N LEU A 17 -9.717 -17.765 -4.117 1.00 35.42 N ATOM 283 CA LEU A 17 -10.383 -18.062 -2.840 1.00 42.20 C ATOM 284 C LEU A 17 -11.916 -17.956 -2.970 1.00 31.25 C ATOM 285 O LEU A 17 -12.651 -18.834 -2.513 1.00 11.41 O ATOM 286 CB LEU A 17 -9.866 -17.132 -1.727 1.00 34.11 C ATOM 287 CG LEU A 17 -8.591 -17.604 -0.996 1.00 44.10 C ATOM 288 CD1 LEU A 17 -7.434 -17.837 -1.967 1.00 75.41 C ATOM 289 CD2 LEU A 17 -8.193 -16.598 0.082 1.00 72.40 C ATOM 0 H LEU A 17 -9.054 -16.991 -4.077 1.00 35.42 H new ATOM 0 HA LEU A 17 -10.142 -19.090 -2.570 1.00 42.20 H new ATOM 0 HB2 LEU A 17 -9.672 -16.151 -2.160 1.00 34.11 H new ATOM 0 HB3 LEU A 17 -10.658 -17.003 -0.990 1.00 34.11 H new ATOM 0 HG LEU A 17 -8.816 -18.559 -0.522 1.00 44.10 H new ATOM 0 HD11 LEU A 17 -6.555 -18.168 -1.413 1.00 75.41 H new ATOM 0 HD12 LEU A 17 -7.715 -18.601 -2.692 1.00 75.41 H new ATOM 0 HD13 LEU A 17 -7.205 -16.908 -2.489 1.00 75.41 H new ATOM 0 HD21 LEU A 17 -7.292 -16.945 0.589 1.00 72.40 H new ATOM 0 HD22 LEU A 17 -8.000 -15.629 -0.378 1.00 72.40 H new ATOM 0 HD23 LEU A 17 -9.002 -16.501 0.806 1.00 72.40 H new ATOM 301 N ARG A 18 -12.389 -16.886 -3.610 1.00 61.14 N ATOM 302 CA ARG A 18 -13.825 -16.718 -3.884 1.00 33.52 C ATOM 303 C ARG A 18 -14.359 -17.849 -4.782 1.00 74.33 C ATOM 304 O ARG A 18 -15.386 -18.461 -4.485 1.00 62.55 O ATOM 305 CB ARG A 18 -14.086 -15.358 -4.553 1.00 31.15 C ATOM 306 CG ARG A 18 -13.894 -14.154 -3.631 1.00 2.14 C ATOM 307 CD ARG A 18 -14.956 -14.108 -2.533 1.00 55.12 C ATOM 308 NE ARG A 18 -16.314 -14.103 -3.083 1.00 62.13 N ATOM 309 CZ ARG A 18 -17.403 -14.081 -2.362 1.00 50.54 C ATOM 310 NH1 ARG A 18 -17.344 -14.007 -1.073 1.00 53.14 N ATOM 311 NH2 ARG A 18 -18.558 -14.114 -2.942 1.00 31.24 N ATOM 0 H ARG A 18 -11.804 -16.122 -3.949 1.00 61.14 H new ATOM 0 HA ARG A 18 -14.351 -16.759 -2.930 1.00 33.52 H new ATOM 0 HB2 ARG A 18 -13.420 -15.254 -5.410 1.00 31.15 H new ATOM 0 HB3 ARG A 18 -15.105 -15.346 -4.939 1.00 31.15 H new ATOM 0 HG2 ARG A 18 -12.904 -14.197 -3.178 1.00 2.14 H new ATOM 0 HG3 ARG A 18 -13.937 -13.236 -4.217 1.00 2.14 H new ATOM 0 HD2 ARG A 18 -14.835 -14.968 -1.875 1.00 55.12 H new ATOM 0 HD3 ARG A 18 -14.809 -13.217 -1.923 1.00 55.12 H new ATOM 0 HE ARG A 18 -16.416 -14.118 -4.098 1.00 62.13 H new ATOM 0 HH11 ARG A 18 -16.438 -13.965 -0.606 1.00 53.14 H new ATOM 0 HH12 ARG A 18 -18.203 -13.991 -0.523 1.00 53.14 H new ATOM 0 HH21 ARG A 18 -18.617 -14.157 -3.959 1.00 31.24 H new ATOM 0 HH22 ARG A 18 -19.410 -14.097 -2.382 1.00 31.24 H new ATOM 325 N GLU A 19 -13.644 -18.123 -5.872 1.00 74.50 N ATOM 326 CA GLU A 19 -14.029 -19.164 -6.838 1.00 23.42 C ATOM 327 C GLU A 19 -14.194 -20.533 -6.165 1.00 54.15 C ATOM 328 O GLU A 19 -15.214 -21.203 -6.327 1.00 10.44 O ATOM 329 CB GLU A 19 -12.966 -19.280 -7.943 1.00 44.01 C ATOM 330 CG GLU A 19 -12.677 -17.979 -8.684 1.00 41.13 C ATOM 331 CD GLU A 19 -13.854 -17.485 -9.501 1.00 65.45 C ATOM 332 OE1 GLU A 19 -14.053 -18.005 -10.611 1.00 63.32 O ATOM 333 OE2 GLU A 19 -14.579 -16.576 -9.042 1.00 41.22 O ATOM 0 H GLU A 19 -12.783 -17.634 -6.115 1.00 74.50 H new ATOM 0 HA GLU A 19 -14.988 -18.869 -7.265 1.00 23.42 H new ATOM 0 HB2 GLU A 19 -12.039 -19.645 -7.500 1.00 44.01 H new ATOM 0 HB3 GLU A 19 -13.291 -20.029 -8.665 1.00 44.01 H new ATOM 0 HG2 GLU A 19 -12.396 -17.212 -7.962 1.00 41.13 H new ATOM 0 HG3 GLU A 19 -11.821 -18.126 -9.343 1.00 41.13 H new ATOM 340 N GLN A 20 -13.179 -20.942 -5.414 1.00 72.34 N ATOM 341 CA GLN A 20 -13.171 -22.257 -4.774 1.00 2.11 C ATOM 342 C GLN A 20 -14.181 -22.343 -3.614 1.00 44.34 C ATOM 343 O GLN A 20 -14.804 -23.385 -3.398 1.00 10.12 O ATOM 344 CB GLN A 20 -11.751 -22.583 -4.277 1.00 52.22 C ATOM 345 CG GLN A 20 -11.609 -23.959 -3.625 1.00 73.22 C ATOM 346 CD GLN A 20 -11.450 -25.121 -4.607 1.00 4.42 C ATOM 347 OE1 GLN A 20 -11.923 -24.975 -5.830 1.00 60.21 O flip ATOM 348 NE2 GLN A 20 -10.872 -26.145 -4.266 1.00 40.21 N flip ATOM 0 H GLN A 20 -12.347 -20.382 -5.231 1.00 72.34 H new ATOM 0 HA GLN A 20 -13.476 -22.993 -5.518 1.00 2.11 H new ATOM 0 HB2 GLN A 20 -11.062 -22.521 -5.119 1.00 52.22 H new ATOM 0 HB3 GLN A 20 -11.447 -21.821 -3.559 1.00 52.22 H new ATOM 0 HG2 GLN A 20 -10.745 -23.943 -2.960 1.00 73.22 H new ATOM 0 HG3 GLN A 20 -12.486 -24.144 -3.004 1.00 73.22 H new ATOM 0 HE21 GLN A 20 -10.514 -26.236 -3.315 1.00 40.21 H new ATOM 0 HE22 GLN A 20 -10.748 -26.907 -4.933 1.00 40.21 H new ATOM 357 N ALA A 21 -14.340 -21.248 -2.875 1.00 60.20 N ATOM 358 CA ALA A 21 -15.287 -21.204 -1.752 1.00 14.32 C ATOM 359 C ALA A 21 -16.751 -21.208 -2.230 1.00 41.34 C ATOM 360 O ALA A 21 -17.623 -21.809 -1.594 1.00 5.05 O ATOM 361 CB ALA A 21 -15.013 -19.978 -0.886 1.00 21.13 C ATOM 0 H ALA A 21 -13.829 -20.379 -3.029 1.00 60.20 H new ATOM 0 HA ALA A 21 -15.139 -22.106 -1.159 1.00 14.32 H new ATOM 0 HB1 ALA A 21 -15.719 -19.953 -0.056 1.00 21.13 H new ATOM 0 HB2 ALA A 21 -13.996 -20.028 -0.496 1.00 21.13 H new ATOM 0 HB3 ALA A 21 -15.127 -19.076 -1.486 1.00 21.13 H new ATOM 367 N THR A 22 -17.016 -20.532 -3.350 1.00 24.11 N ATOM 368 CA THR A 22 -18.382 -20.425 -3.897 1.00 74.33 C ATOM 369 C THR A 22 -18.666 -21.487 -4.971 1.00 54.10 C ATOM 370 O THR A 22 -19.823 -21.737 -5.319 1.00 71.04 O ATOM 371 CB THR A 22 -18.645 -19.034 -4.520 1.00 42.03 C ATOM 372 OG1 THR A 22 -17.822 -18.846 -5.682 1.00 34.22 O ATOM 373 CG2 THR A 22 -18.374 -17.916 -3.517 1.00 71.21 C ATOM 0 H THR A 22 -16.306 -20.048 -3.900 1.00 24.11 H new ATOM 0 HA THR A 22 -19.046 -20.583 -3.047 1.00 74.33 H new ATOM 0 HB THR A 22 -19.696 -18.993 -4.806 1.00 42.03 H new ATOM 0 HG1 THR A 22 -16.901 -18.660 -5.404 1.00 34.22 H new ATOM 0 HG21 THR A 22 -18.568 -16.951 -3.986 1.00 71.21 H new ATOM 0 HG22 THR A 22 -19.026 -18.037 -2.652 1.00 71.21 H new ATOM 0 HG23 THR A 22 -17.333 -17.960 -3.195 1.00 71.21 H new ATOM 381 N GLY A 23 -17.608 -22.093 -5.505 1.00 60.30 N ATOM 382 CA GLY A 23 -17.762 -23.120 -6.533 1.00 53.10 C ATOM 383 C GLY A 23 -18.127 -22.551 -7.904 1.00 43.31 C ATOM 384 O GLY A 23 -19.061 -23.027 -8.555 1.00 22.20 O ATOM 0 H GLY A 23 -16.642 -21.893 -5.246 1.00 60.30 H new ATOM 0 HA2 GLY A 23 -16.833 -23.683 -6.617 1.00 53.10 H new ATOM 0 HA3 GLY A 23 -18.534 -23.823 -6.222 1.00 53.10 H new ATOM 541 N GLY A 34 -3.483 -9.127 -18.472 1.00 1.33 N ATOM 542 CA GLY A 34 -4.392 -10.040 -19.161 1.00 2.01 C ATOM 543 C GLY A 34 -3.974 -11.511 -19.097 1.00 20.22 C ATOM 544 O GLY A 34 -4.302 -12.220 -18.140 1.00 62.45 O ATOM 0 HA2 GLY A 34 -5.387 -9.938 -18.729 1.00 2.01 H new ATOM 0 HA3 GLY A 34 -4.466 -9.740 -20.206 1.00 2.01 H new ATOM 548 N ALA A 35 -3.240 -11.962 -20.115 1.00 2.54 N ATOM 549 CA ALA A 35 -2.902 -13.384 -20.280 1.00 12.22 C ATOM 550 C ALA A 35 -2.191 -13.994 -19.061 1.00 63.31 C ATOM 551 O ALA A 35 -2.595 -15.052 -18.574 1.00 53.32 O ATOM 552 CB ALA A 35 -2.049 -13.576 -21.528 1.00 45.22 C ATOM 0 H ALA A 35 -2.863 -11.359 -20.847 1.00 2.54 H new ATOM 0 HA ALA A 35 -3.849 -13.914 -20.383 1.00 12.22 H new ATOM 0 HB1 ALA A 35 -1.804 -14.632 -21.642 1.00 45.22 H new ATOM 0 HB2 ALA A 35 -2.603 -13.236 -22.403 1.00 45.22 H new ATOM 0 HB3 ALA A 35 -1.130 -12.998 -21.433 1.00 45.22 H new ATOM 558 N THR A 36 -1.143 -13.330 -18.564 1.00 75.14 N ATOM 559 CA THR A 36 -0.340 -13.879 -17.458 1.00 23.33 C ATOM 560 C THR A 36 -1.200 -14.196 -16.227 1.00 4.03 C ATOM 561 O THR A 36 -1.079 -15.268 -15.633 1.00 31.33 O ATOM 562 CB THR A 36 0.807 -12.930 -17.031 1.00 64.05 C ATOM 563 OG1 THR A 36 1.675 -12.652 -18.144 1.00 73.13 O ATOM 564 CG2 THR A 36 1.621 -13.548 -15.899 1.00 23.02 C ATOM 0 H THR A 36 -0.830 -12.420 -18.903 1.00 75.14 H new ATOM 0 HA THR A 36 0.092 -14.802 -17.845 1.00 23.33 H new ATOM 0 HB THR A 36 0.359 -11.999 -16.684 1.00 64.05 H new ATOM 0 HG1 THR A 36 2.445 -13.257 -18.117 1.00 73.13 H new ATOM 0 HG21 THR A 36 2.422 -12.867 -15.613 1.00 23.02 H new ATOM 0 HG22 THR A 36 0.973 -13.727 -15.041 1.00 23.02 H new ATOM 0 HG23 THR A 36 2.050 -14.493 -16.233 1.00 23.02 H new ATOM 572 N SER A 37 -2.071 -13.266 -15.848 1.00 63.14 N ATOM 573 CA SER A 37 -2.955 -13.467 -14.689 1.00 73.24 C ATOM 574 C SER A 37 -3.923 -14.635 -14.922 1.00 21.53 C ATOM 575 O SER A 37 -4.128 -15.470 -14.043 1.00 11.21 O ATOM 576 CB SER A 37 -3.757 -12.197 -14.393 1.00 72.02 C ATOM 577 OG SER A 37 -4.760 -11.982 -15.373 1.00 1.44 O ATOM 0 H SER A 37 -2.189 -12.369 -16.319 1.00 63.14 H new ATOM 0 HA SER A 37 -2.321 -13.702 -13.834 1.00 73.24 H new ATOM 0 HB2 SER A 37 -4.218 -12.276 -13.409 1.00 72.02 H new ATOM 0 HB3 SER A 37 -3.086 -11.339 -14.362 1.00 72.02 H new ATOM 0 HG SER A 37 -4.375 -12.101 -16.266 1.00 1.44 H new ATOM 583 N ARG A 38 -4.514 -14.688 -16.116 1.00 64.54 N ATOM 584 CA ARG A 38 -5.475 -15.741 -16.455 1.00 31.15 C ATOM 585 C ARG A 38 -4.830 -17.134 -16.453 1.00 4.44 C ATOM 586 O ARG A 38 -5.311 -18.042 -15.776 1.00 43.04 O ATOM 587 CB ARG A 38 -6.114 -15.469 -17.818 1.00 13.24 C ATOM 588 CG ARG A 38 -6.994 -14.225 -17.858 1.00 75.42 C ATOM 589 CD ARG A 38 -7.736 -14.116 -19.186 1.00 44.54 C ATOM 590 NE ARG A 38 -8.563 -15.296 -19.448 1.00 0.54 N ATOM 591 CZ ARG A 38 -9.480 -15.361 -20.378 1.00 55.21 C ATOM 592 NH1 ARG A 38 -9.684 -14.358 -21.175 1.00 13.13 N ATOM 593 NH2 ARG A 38 -10.174 -16.446 -20.525 1.00 61.42 N ATOM 0 H ARG A 38 -4.345 -14.016 -16.864 1.00 64.54 H new ATOM 0 HA ARG A 38 -6.246 -15.728 -15.684 1.00 31.15 H new ATOM 0 HB2 ARG A 38 -5.325 -15.366 -18.563 1.00 13.24 H new ATOM 0 HB3 ARG A 38 -6.713 -16.333 -18.105 1.00 13.24 H new ATOM 0 HG2 ARG A 38 -7.712 -14.258 -17.039 1.00 75.42 H new ATOM 0 HG3 ARG A 38 -6.380 -13.337 -17.708 1.00 75.42 H new ATOM 0 HD2 ARG A 38 -8.365 -13.226 -19.178 1.00 44.54 H new ATOM 0 HD3 ARG A 38 -7.016 -13.990 -19.995 1.00 44.54 H new ATOM 0 HE ARG A 38 -8.414 -16.121 -18.867 1.00 0.54 H new ATOM 0 HH11 ARG A 38 -9.127 -13.509 -21.079 1.00 13.13 H new ATOM 0 HH12 ARG A 38 -10.402 -14.418 -21.897 1.00 13.13 H new ATOM 0 HH21 ARG A 38 -10.004 -17.246 -19.916 1.00 61.42 H new ATOM 0 HH22 ARG A 38 -10.890 -16.499 -21.250 1.00 61.42 H new ATOM 607 N LYS A 39 -3.741 -17.299 -17.211 1.00 2.31 N ATOM 608 CA LYS A 39 -3.045 -18.590 -17.284 1.00 44.51 C ATOM 609 C LYS A 39 -2.615 -19.061 -15.884 1.00 71.44 C ATOM 610 O LYS A 39 -2.690 -20.246 -15.568 1.00 61.12 O ATOM 611 CB LYS A 39 -1.832 -18.504 -18.233 1.00 60.12 C ATOM 612 CG LYS A 39 -0.763 -17.506 -17.794 1.00 23.31 C ATOM 613 CD LYS A 39 0.293 -17.240 -18.874 1.00 21.21 C ATOM 614 CE LYS A 39 1.118 -18.473 -19.242 1.00 2.24 C ATOM 615 NZ LYS A 39 0.372 -19.420 -20.115 1.00 23.23 N ATOM 0 H LYS A 39 -3.324 -16.562 -17.779 1.00 2.31 H new ATOM 0 HA LYS A 39 -3.739 -19.327 -17.688 1.00 44.51 H new ATOM 0 HB2 LYS A 39 -1.379 -19.492 -18.316 1.00 60.12 H new ATOM 0 HB3 LYS A 39 -2.182 -18.230 -19.228 1.00 60.12 H new ATOM 0 HG2 LYS A 39 -1.242 -16.565 -17.524 1.00 23.31 H new ATOM 0 HG3 LYS A 39 -0.270 -17.882 -16.897 1.00 23.31 H new ATOM 0 HD2 LYS A 39 -0.202 -16.864 -19.769 1.00 21.21 H new ATOM 0 HD3 LYS A 39 0.964 -16.454 -18.528 1.00 21.21 H new ATOM 0 HE2 LYS A 39 2.030 -18.158 -19.750 1.00 2.24 H new ATOM 0 HE3 LYS A 39 1.422 -18.987 -18.331 1.00 2.24 H new ATOM 0 HZ1 LYS A 39 1.045 -20.032 -20.619 1.00 23.23 H new ATOM 0 HZ2 LYS A 39 -0.259 -20.006 -19.532 1.00 23.23 H new ATOM 0 HZ3 LYS A 39 -0.192 -18.885 -20.805 1.00 23.23 H new ATOM 629 N ALA A 40 -2.185 -18.120 -15.042 1.00 64.13 N ATOM 630 CA ALA A 40 -1.822 -18.429 -13.656 1.00 73.13 C ATOM 631 C ALA A 40 -3.051 -18.840 -12.832 1.00 1.35 C ATOM 632 O ALA A 40 -3.023 -19.839 -12.110 1.00 53.14 O ATOM 633 CB ALA A 40 -1.133 -17.229 -13.016 1.00 14.52 C ATOM 0 H ALA A 40 -2.079 -17.137 -15.295 1.00 64.13 H new ATOM 0 HA ALA A 40 -1.133 -19.273 -13.668 1.00 73.13 H new ATOM 0 HB1 ALA A 40 -0.867 -17.468 -11.986 1.00 14.52 H new ATOM 0 HB2 ALA A 40 -0.230 -16.986 -13.577 1.00 14.52 H new ATOM 0 HB3 ALA A 40 -1.808 -16.373 -13.027 1.00 14.52 H new ATOM 639 N LEU A 41 -4.134 -18.074 -12.960 1.00 0.04 N ATOM 640 CA LEU A 41 -5.363 -18.327 -12.199 1.00 22.52 C ATOM 641 C LEU A 41 -5.997 -19.680 -12.569 1.00 54.53 C ATOM 642 O LEU A 41 -6.404 -20.442 -11.689 1.00 20.04 O ATOM 643 CB LEU A 41 -6.368 -17.186 -12.424 1.00 54.15 C ATOM 644 CG LEU A 41 -7.674 -17.283 -11.616 1.00 65.42 C ATOM 645 CD1 LEU A 41 -7.380 -17.356 -10.118 1.00 13.42 C ATOM 646 CD2 LEU A 41 -8.588 -16.100 -11.931 1.00 34.15 C ATOM 0 H LEU A 41 -4.188 -17.270 -13.585 1.00 0.04 H new ATOM 0 HA LEU A 41 -5.097 -18.369 -11.143 1.00 22.52 H new ATOM 0 HB2 LEU A 41 -5.880 -16.242 -12.180 1.00 54.15 H new ATOM 0 HB3 LEU A 41 -6.619 -17.150 -13.484 1.00 54.15 H new ATOM 0 HG LEU A 41 -8.188 -18.200 -11.905 1.00 65.42 H new ATOM 0 HD11 LEU A 41 -8.317 -17.424 -9.566 1.00 13.42 H new ATOM 0 HD12 LEU A 41 -6.771 -18.236 -9.909 1.00 13.42 H new ATOM 0 HD13 LEU A 41 -6.841 -16.460 -9.809 1.00 13.42 H new ATOM 0 HD21 LEU A 41 -9.507 -16.185 -11.351 1.00 34.15 H new ATOM 0 HD22 LEU A 41 -8.081 -15.170 -11.674 1.00 34.15 H new ATOM 0 HD23 LEU A 41 -8.829 -16.099 -12.994 1.00 34.15 H new ATOM 658 N GLU A 42 -6.079 -19.984 -13.867 1.00 51.14 N ATOM 659 CA GLU A 42 -6.637 -21.265 -14.313 1.00 74.21 C ATOM 660 C GLU A 42 -5.736 -22.431 -13.876 1.00 72.03 C ATOM 661 O GLU A 42 -6.224 -23.518 -13.553 1.00 2.44 O ATOM 662 CB GLU A 42 -6.851 -21.291 -15.836 1.00 45.25 C ATOM 663 CG GLU A 42 -5.570 -21.301 -16.661 1.00 35.11 C ATOM 664 CD GLU A 42 -5.841 -21.449 -18.150 1.00 72.14 C ATOM 665 OE1 GLU A 42 -6.280 -22.542 -18.569 1.00 53.21 O ATOM 666 OE2 GLU A 42 -5.636 -20.474 -18.907 1.00 74.30 O ATOM 0 H GLU A 42 -5.770 -19.369 -14.620 1.00 51.14 H new ATOM 0 HA GLU A 42 -7.612 -21.380 -13.840 1.00 74.21 H new ATOM 0 HB2 GLU A 42 -7.438 -22.173 -16.091 1.00 45.25 H new ATOM 0 HB3 GLU A 42 -7.443 -20.421 -16.121 1.00 45.25 H new ATOM 0 HG2 GLU A 42 -5.020 -20.377 -16.485 1.00 35.11 H new ATOM 0 HG3 GLU A 42 -4.932 -22.120 -16.327 1.00 35.11 H new ATOM 673 N THR A 43 -4.420 -22.200 -13.858 1.00 24.43 N ATOM 674 CA THR A 43 -3.480 -23.177 -13.298 1.00 51.13 C ATOM 675 C THR A 43 -3.776 -23.412 -11.813 1.00 0.34 C ATOM 676 O THR A 43 -3.852 -24.553 -11.360 1.00 14.52 O ATOM 677 CB THR A 43 -2.002 -22.735 -13.461 1.00 32.42 C ATOM 678 OG1 THR A 43 -1.672 -22.624 -14.851 1.00 10.24 O ATOM 679 CG2 THR A 43 -1.051 -23.730 -12.799 1.00 42.30 C ATOM 0 H THR A 43 -3.984 -21.353 -14.221 1.00 24.43 H new ATOM 0 HA THR A 43 -3.618 -24.102 -13.857 1.00 51.13 H new ATOM 0 HB THR A 43 -1.889 -21.766 -12.974 1.00 32.42 H new ATOM 0 HG1 THR A 43 -1.867 -21.715 -15.162 1.00 10.24 H new ATOM 0 HG21 THR A 43 -0.023 -23.393 -12.930 1.00 42.30 H new ATOM 0 HG22 THR A 43 -1.278 -23.797 -11.735 1.00 42.30 H new ATOM 0 HG23 THR A 43 -1.173 -24.711 -13.259 1.00 42.30 H new ATOM 687 N LEU A 44 -3.968 -22.322 -11.065 1.00 3.35 N ATOM 688 CA LEU A 44 -4.347 -22.403 -9.648 1.00 60.12 C ATOM 689 C LEU A 44 -5.602 -23.264 -9.445 1.00 64.51 C ATOM 690 O LEU A 44 -5.754 -23.914 -8.416 1.00 13.22 O ATOM 691 CB LEU A 44 -4.586 -21.000 -9.065 1.00 12.20 C ATOM 692 CG LEU A 44 -3.324 -20.151 -8.847 1.00 72.43 C ATOM 693 CD1 LEU A 44 -3.695 -18.747 -8.374 1.00 1.04 C ATOM 694 CD2 LEU A 44 -2.390 -20.827 -7.844 1.00 61.12 C ATOM 0 H LEU A 44 -3.867 -21.370 -11.417 1.00 3.35 H new ATOM 0 HA LEU A 44 -3.517 -22.875 -9.122 1.00 60.12 H new ATOM 0 HB2 LEU A 44 -5.257 -20.458 -9.732 1.00 12.20 H new ATOM 0 HB3 LEU A 44 -5.102 -21.105 -8.110 1.00 12.20 H new ATOM 0 HG LEU A 44 -2.801 -20.064 -9.799 1.00 72.43 H new ATOM 0 HD11 LEU A 44 -2.788 -18.162 -8.225 1.00 1.04 H new ATOM 0 HD12 LEU A 44 -4.320 -18.263 -9.125 1.00 1.04 H new ATOM 0 HD13 LEU A 44 -4.243 -18.813 -7.434 1.00 1.04 H new ATOM 0 HD21 LEU A 44 -1.502 -20.212 -7.702 1.00 61.12 H new ATOM 0 HD22 LEU A 44 -2.905 -20.946 -6.891 1.00 61.12 H new ATOM 0 HD23 LEU A 44 -2.096 -21.806 -8.223 1.00 61.12 H new ATOM 706 N ARG A 45 -6.505 -23.268 -10.422 1.00 31.35 N ATOM 707 CA ARG A 45 -7.719 -24.084 -10.321 1.00 25.44 C ATOM 708 C ARG A 45 -7.403 -25.578 -10.497 1.00 72.10 C ATOM 709 O ARG A 45 -7.719 -26.393 -9.629 1.00 74.11 O ATOM 710 CB ARG A 45 -8.767 -23.639 -11.355 1.00 64.11 C ATOM 711 CG ARG A 45 -9.118 -22.152 -11.293 1.00 50.40 C ATOM 712 CD ARG A 45 -10.275 -21.801 -12.228 1.00 73.54 C ATOM 713 NE ARG A 45 -10.510 -20.357 -12.311 1.00 54.11 N ATOM 714 CZ ARG A 45 -11.548 -19.743 -11.804 1.00 2.40 C ATOM 715 NH1 ARG A 45 -12.453 -20.393 -11.146 1.00 0.31 N ATOM 716 NH2 ARG A 45 -11.689 -18.471 -11.966 1.00 30.24 N ATOM 0 H ARG A 45 -6.425 -22.725 -11.282 1.00 31.35 H new ATOM 0 HA ARG A 45 -8.130 -23.937 -9.322 1.00 25.44 H new ATOM 0 HB2 ARG A 45 -8.397 -23.872 -12.354 1.00 64.11 H new ATOM 0 HB3 ARG A 45 -9.676 -24.222 -11.208 1.00 64.11 H new ATOM 0 HG2 ARG A 45 -9.383 -21.884 -10.270 1.00 50.40 H new ATOM 0 HG3 ARG A 45 -8.242 -21.561 -11.561 1.00 50.40 H new ATOM 0 HD2 ARG A 45 -10.064 -22.189 -13.224 1.00 73.54 H new ATOM 0 HD3 ARG A 45 -11.182 -22.294 -11.879 1.00 73.54 H new ATOM 0 HE ARG A 45 -9.815 -19.791 -12.798 1.00 54.11 H new ATOM 0 HH11 ARG A 45 -12.364 -21.401 -11.016 1.00 0.31 H new ATOM 0 HH12 ARG A 45 -13.256 -19.898 -10.758 1.00 0.31 H new ATOM 0 HH21 ARG A 45 -10.991 -17.943 -12.490 1.00 30.24 H new ATOM 0 HH22 ARG A 45 -12.499 -17.993 -11.570 1.00 30.24 H new ATOM 730 N ARG A 46 -6.753 -25.928 -11.607 1.00 63.01 N ATOM 731 CA ARG A 46 -6.437 -27.333 -11.905 1.00 53.43 C ATOM 732 C ARG A 46 -5.474 -27.954 -10.871 1.00 13.43 C ATOM 733 O ARG A 46 -5.687 -29.082 -10.421 1.00 33.34 O ATOM 734 CB ARG A 46 -5.869 -27.475 -13.330 1.00 5.42 C ATOM 735 CG ARG A 46 -4.698 -26.547 -13.637 1.00 40.01 C ATOM 736 CD ARG A 46 -4.191 -26.717 -15.067 1.00 31.31 C ATOM 737 NE ARG A 46 -3.530 -28.006 -15.271 1.00 51.31 N ATOM 738 CZ ARG A 46 -3.271 -28.527 -16.442 1.00 75.41 C ATOM 739 NH1 ARG A 46 -3.658 -27.941 -17.533 1.00 1.33 N ATOM 740 NH2 ARG A 46 -2.631 -29.648 -16.514 1.00 72.34 N ATOM 0 H ARG A 46 -6.435 -25.265 -12.314 1.00 63.01 H new ATOM 0 HA ARG A 46 -7.373 -27.888 -11.842 1.00 53.43 H new ATOM 0 HB2 ARG A 46 -5.548 -28.506 -13.479 1.00 5.42 H new ATOM 0 HB3 ARG A 46 -6.667 -27.282 -14.047 1.00 5.42 H new ATOM 0 HG2 ARG A 46 -5.005 -25.513 -13.482 1.00 40.01 H new ATOM 0 HG3 ARG A 46 -3.885 -26.746 -12.938 1.00 40.01 H new ATOM 0 HD2 ARG A 46 -5.027 -26.626 -15.760 1.00 31.31 H new ATOM 0 HD3 ARG A 46 -3.494 -25.912 -15.301 1.00 31.31 H new ATOM 0 HE ARG A 46 -3.252 -28.534 -14.444 1.00 51.31 H new ATOM 0 HH11 ARG A 46 -4.172 -27.061 -17.485 1.00 1.33 H new ATOM 0 HH12 ARG A 46 -3.448 -28.360 -18.439 1.00 1.33 H new ATOM 0 HH21 ARG A 46 -2.332 -30.120 -15.661 1.00 72.34 H new ATOM 0 HH22 ARG A 46 -2.425 -30.060 -17.424 1.00 72.34 H new ATOM 754 N VAL A 47 -4.424 -27.221 -10.485 1.00 23.05 N ATOM 755 CA VAL A 47 -3.452 -27.741 -9.508 1.00 72.53 C ATOM 756 C VAL A 47 -3.885 -27.452 -8.062 1.00 21.40 C ATOM 757 O VAL A 47 -3.648 -28.261 -7.168 1.00 42.42 O ATOM 758 CB VAL A 47 -2.021 -27.174 -9.730 1.00 64.31 C ATOM 759 CG1 VAL A 47 -1.581 -27.363 -11.177 1.00 15.33 C ATOM 760 CG2 VAL A 47 -1.921 -25.707 -9.313 1.00 35.10 C ATOM 0 H VAL A 47 -4.224 -26.281 -10.826 1.00 23.05 H new ATOM 0 HA VAL A 47 -3.426 -28.819 -9.668 1.00 72.53 H new ATOM 0 HB VAL A 47 -1.343 -27.739 -9.090 1.00 64.31 H new ATOM 0 HG11 VAL A 47 -0.577 -26.959 -11.308 1.00 15.33 H new ATOM 0 HG12 VAL A 47 -1.579 -28.425 -11.421 1.00 15.33 H new ATOM 0 HG13 VAL A 47 -2.272 -26.840 -11.839 1.00 15.33 H new ATOM 0 HG21 VAL A 47 -0.906 -25.349 -9.484 1.00 35.10 H new ATOM 0 HG22 VAL A 47 -2.620 -25.113 -9.902 1.00 35.10 H new ATOM 0 HG23 VAL A 47 -2.166 -25.612 -8.255 1.00 35.10 H new ATOM 770 N GLY A 48 -4.548 -26.314 -7.839 1.00 45.21 N ATOM 771 CA GLY A 48 -4.923 -25.920 -6.485 1.00 72.42 C ATOM 772 C GLY A 48 -5.969 -26.837 -5.873 1.00 53.35 C ATOM 773 O GLY A 48 -5.820 -27.287 -4.737 1.00 55.51 O ATOM 0 H GLY A 48 -4.831 -25.660 -8.569 1.00 45.21 H new ATOM 0 HA2 GLY A 48 -4.035 -25.917 -5.853 1.00 72.42 H new ATOM 0 HA3 GLY A 48 -5.306 -24.900 -6.501 1.00 72.42 H new ATOM 777 N ASP A 49 -7.032 -27.111 -6.628 1.00 23.41 N ATOM 778 CA ASP A 49 -8.076 -28.036 -6.184 1.00 44.25 C ATOM 779 C ASP A 49 -7.479 -29.417 -5.863 1.00 11.41 C ATOM 780 O ASP A 49 -7.673 -29.952 -4.770 1.00 1.05 O ATOM 781 CB ASP A 49 -9.163 -28.144 -7.261 1.00 2.13 C ATOM 782 CG ASP A 49 -10.198 -29.217 -6.957 1.00 34.13 C ATOM 783 OD1 ASP A 49 -11.167 -28.938 -6.218 1.00 24.53 O ATOM 784 OD2 ASP A 49 -10.049 -30.346 -7.467 1.00 71.31 O ATOM 0 H ASP A 49 -7.194 -26.706 -7.550 1.00 23.41 H new ATOM 0 HA ASP A 49 -8.527 -27.650 -5.270 1.00 44.25 H new ATOM 0 HB2 ASP A 49 -9.665 -27.181 -7.361 1.00 2.13 H new ATOM 0 HB3 ASP A 49 -8.695 -28.361 -8.221 1.00 2.13 H new ATOM 789 N GLY A 50 -6.726 -29.971 -6.816 1.00 35.20 N ATOM 790 CA GLY A 50 -6.074 -31.260 -6.610 1.00 14.53 C ATOM 791 C GLY A 50 -5.208 -31.293 -5.350 1.00 4.21 C ATOM 792 O GLY A 50 -5.360 -32.183 -4.508 1.00 54.22 O ATOM 0 H GLY A 50 -6.555 -29.549 -7.729 1.00 35.20 H new ATOM 0 HA2 GLY A 50 -6.833 -32.039 -6.544 1.00 14.53 H new ATOM 0 HA3 GLY A 50 -5.455 -31.491 -7.477 1.00 14.53 H new ATOM 796 N VAL A 51 -4.307 -30.313 -5.216 1.00 62.35 N ATOM 797 CA VAL A 51 -3.437 -30.204 -4.037 1.00 73.13 C ATOM 798 C VAL A 51 -4.250 -30.092 -2.739 1.00 32.22 C ATOM 799 O VAL A 51 -3.934 -30.749 -1.744 1.00 11.14 O ATOM 800 CB VAL A 51 -2.464 -28.999 -4.158 1.00 63.54 C ATOM 801 CG1 VAL A 51 -1.711 -28.755 -2.849 1.00 53.53 C ATOM 802 CG2 VAL A 51 -1.483 -29.223 -5.308 1.00 0.41 C ATOM 0 H VAL A 51 -4.160 -29.581 -5.911 1.00 62.35 H new ATOM 0 HA VAL A 51 -2.850 -31.122 -3.995 1.00 73.13 H new ATOM 0 HB VAL A 51 -3.057 -28.109 -4.369 1.00 63.54 H new ATOM 0 HG11 VAL A 51 -1.039 -27.905 -2.969 1.00 53.53 H new ATOM 0 HG12 VAL A 51 -2.425 -28.544 -2.053 1.00 53.53 H new ATOM 0 HG13 VAL A 51 -1.132 -29.642 -2.592 1.00 53.53 H new ATOM 0 HG21 VAL A 51 -0.807 -28.371 -5.381 1.00 0.41 H new ATOM 0 HG22 VAL A 51 -0.906 -30.129 -5.123 1.00 0.41 H new ATOM 0 HG23 VAL A 51 -2.035 -29.329 -6.242 1.00 0.41 H new ATOM 812 N GLN A 52 -5.305 -29.278 -2.757 1.00 44.34 N ATOM 813 CA GLN A 52 -6.187 -29.130 -1.589 1.00 60.54 C ATOM 814 C GLN A 52 -6.748 -30.482 -1.133 1.00 52.10 C ATOM 815 O GLN A 52 -6.733 -30.797 0.050 1.00 52.53 O ATOM 816 CB GLN A 52 -7.354 -28.175 -1.894 1.00 4.23 C ATOM 817 CG GLN A 52 -6.969 -26.702 -1.914 1.00 32.45 C ATOM 818 CD GLN A 52 -8.126 -25.803 -2.315 1.00 54.15 C ATOM 819 OE1 GLN A 52 -8.240 -25.524 -3.595 1.00 23.20 O flip ATOM 820 NE2 GLN A 52 -8.906 -25.355 -1.480 1.00 13.23 N flip ATOM 0 H GLN A 52 -5.573 -28.711 -3.562 1.00 44.34 H new ATOM 0 HA GLN A 52 -5.580 -28.712 -0.786 1.00 60.54 H new ATOM 0 HB2 GLN A 52 -7.782 -28.440 -2.861 1.00 4.23 H new ATOM 0 HB3 GLN A 52 -8.135 -28.324 -1.148 1.00 4.23 H new ATOM 0 HG2 GLN A 52 -6.612 -26.410 -0.927 1.00 32.45 H new ATOM 0 HG3 GLN A 52 -6.142 -26.556 -2.609 1.00 32.45 H new ATOM 0 HE21 GLN A 52 -8.789 -25.591 -0.495 1.00 13.23 H new ATOM 0 HE22 GLN A 52 -9.671 -24.747 -1.771 1.00 13.23 H new ATOM 829 N ARG A 53 -7.220 -31.284 -2.081 1.00 51.31 N ATOM 830 CA ARG A 53 -7.900 -32.543 -1.755 1.00 52.33 C ATOM 831 C ARG A 53 -6.956 -33.582 -1.115 1.00 2.45 C ATOM 832 O ARG A 53 -7.363 -34.321 -0.216 1.00 14.51 O ATOM 833 CB ARG A 53 -8.581 -33.112 -3.009 1.00 54.24 C ATOM 834 CG ARG A 53 -9.527 -32.113 -3.676 1.00 30.10 C ATOM 835 CD ARG A 53 -10.319 -32.731 -4.825 1.00 33.14 C ATOM 836 NE ARG A 53 -11.314 -33.696 -4.358 1.00 74.02 N ATOM 837 CZ ARG A 53 -12.407 -33.372 -3.714 1.00 11.40 C ATOM 838 NH1 ARG A 53 -12.670 -32.135 -3.429 1.00 52.10 N ATOM 839 NH2 ARG A 53 -13.242 -34.289 -3.359 1.00 65.23 N ATOM 0 H ARG A 53 -7.147 -31.090 -3.080 1.00 51.31 H new ATOM 0 HA ARG A 53 -8.659 -32.320 -1.006 1.00 52.33 H new ATOM 0 HB2 ARG A 53 -7.817 -33.416 -3.725 1.00 54.24 H new ATOM 0 HB3 ARG A 53 -9.139 -34.008 -2.738 1.00 54.24 H new ATOM 0 HG2 ARG A 53 -10.220 -31.722 -2.931 1.00 30.10 H new ATOM 0 HG3 ARG A 53 -8.951 -31.267 -4.051 1.00 30.10 H new ATOM 0 HD2 ARG A 53 -10.818 -31.941 -5.386 1.00 33.14 H new ATOM 0 HD3 ARG A 53 -9.632 -33.225 -5.512 1.00 33.14 H new ATOM 0 HE ARG A 53 -11.146 -34.684 -4.546 1.00 74.02 H new ATOM 0 HH11 ARG A 53 -12.021 -31.399 -3.707 1.00 52.10 H new ATOM 0 HH12 ARG A 53 -13.526 -31.898 -2.927 1.00 52.10 H new ATOM 0 HH21 ARG A 53 -13.051 -35.266 -3.580 1.00 65.23 H new ATOM 0 HH22 ARG A 53 -14.094 -34.037 -2.857 1.00 65.23 H new ATOM 853 N ASN A 54 -5.701 -33.659 -1.571 1.00 21.33 N ATOM 854 CA ASN A 54 -4.735 -34.589 -0.956 1.00 23.04 C ATOM 855 C ASN A 54 -4.030 -33.969 0.271 1.00 73.25 C ATOM 856 O ASN A 54 -3.520 -34.688 1.132 1.00 44.13 O ATOM 857 CB ASN A 54 -3.713 -35.111 -1.981 1.00 21.22 C ATOM 858 CG ASN A 54 -2.878 -34.030 -2.637 1.00 55.12 C ATOM 859 OD1 ASN A 54 -3.325 -33.531 -3.768 1.00 25.21 O flip ATOM 860 ND2 ASN A 54 -1.823 -33.661 -2.143 1.00 44.13 N flip ATOM 0 H ASN A 54 -5.332 -33.105 -2.344 1.00 21.33 H new ATOM 0 HA ASN A 54 -5.310 -35.444 -0.599 1.00 23.04 H new ATOM 0 HB2 ASN A 54 -3.047 -35.817 -1.485 1.00 21.22 H new ATOM 0 HB3 ASN A 54 -4.244 -35.664 -2.756 1.00 21.22 H new ATOM 0 HD21 ASN A 54 -1.502 -34.067 -1.264 1.00 44.13 H new ATOM 0 HD22 ASN A 54 -1.263 -32.947 -2.610 1.00 44.13 H new ATOM 867 N HIS A 55 -4.002 -32.637 0.350 1.00 32.45 N ATOM 868 CA HIS A 55 -3.450 -31.936 1.525 1.00 21.32 C ATOM 869 C HIS A 55 -4.508 -31.752 2.630 1.00 62.51 C ATOM 870 O HIS A 55 -4.167 -31.567 3.800 1.00 63.33 O ATOM 871 CB HIS A 55 -2.878 -30.565 1.127 1.00 33.01 C ATOM 872 CG HIS A 55 -1.536 -30.618 0.456 1.00 35.10 C ATOM 873 ND1 HIS A 55 -0.970 -31.558 -0.335 1.00 34.41 N flip ATOM 874 CD2 HIS A 55 -0.603 -29.607 0.563 1.00 13.44 C flip ATOM 875 CE1 HIS A 55 0.277 -31.101 -0.685 1.00 20.13 C flip ATOM 876 NE2 HIS A 55 0.471 -29.923 -0.132 1.00 32.31 N flip ATOM 0 H HIS A 55 -4.353 -32.018 -0.381 1.00 32.45 H new ATOM 0 HA HIS A 55 -2.648 -32.560 1.919 1.00 21.32 H new ATOM 0 HB2 HIS A 55 -3.584 -30.072 0.459 1.00 33.01 H new ATOM 0 HB3 HIS A 55 -2.798 -29.946 2.021 1.00 33.01 H new ATOM 0 HD2 HIS A 55 -0.733 -28.697 1.129 1.00 13.44 H new ATOM 0 HE1 HIS A 55 0.984 -31.624 -1.312 1.00 20.13 H new ATOM 0 HE2 HIS A 55 1.311 -29.351 -0.225 1.00 32.31 H new ATOM 885 N GLU A 56 -5.785 -31.804 2.250 1.00 54.25 N ATOM 886 CA GLU A 56 -6.903 -31.573 3.182 1.00 30.22 C ATOM 887 C GLU A 56 -6.791 -32.424 4.451 1.00 0.32 C ATOM 888 O GLU A 56 -6.917 -31.911 5.562 1.00 15.54 O ATOM 889 CB GLU A 56 -8.243 -31.855 2.479 1.00 61.24 C ATOM 890 CG GLU A 56 -9.438 -31.943 3.429 1.00 55.14 C ATOM 891 CD GLU A 56 -10.782 -31.906 2.717 1.00 32.55 C ATOM 892 OE1 GLU A 56 -10.903 -32.490 1.622 1.00 63.51 O ATOM 893 OE2 GLU A 56 -11.724 -31.282 3.254 1.00 72.33 O ATOM 0 H GLU A 56 -6.079 -32.006 1.294 1.00 54.25 H new ATOM 0 HA GLU A 56 -6.858 -30.527 3.487 1.00 30.22 H new ATOM 0 HB2 GLU A 56 -8.430 -31.069 1.748 1.00 61.24 H new ATOM 0 HB3 GLU A 56 -8.162 -32.791 1.926 1.00 61.24 H new ATOM 0 HG2 GLU A 56 -9.366 -32.865 4.006 1.00 55.14 H new ATOM 0 HG3 GLU A 56 -9.389 -31.118 4.139 1.00 55.14 H new ATOM 900 N THR A 57 -6.540 -33.718 4.283 1.00 24.12 N ATOM 901 CA THR A 57 -6.416 -34.636 5.426 1.00 11.14 C ATOM 902 C THR A 57 -5.335 -34.176 6.424 1.00 30.44 C ATOM 903 O THR A 57 -5.408 -34.464 7.620 1.00 64.34 O ATOM 904 CB THR A 57 -6.103 -36.079 4.965 1.00 1.00 C ATOM 905 OG1 THR A 57 -6.106 -36.965 6.095 1.00 75.41 O ATOM 906 CG2 THR A 57 -4.756 -36.154 4.248 1.00 51.23 C ATOM 0 H THR A 57 -6.418 -34.161 3.372 1.00 24.12 H new ATOM 0 HA THR A 57 -7.382 -34.624 5.930 1.00 11.14 H new ATOM 0 HB THR A 57 -6.877 -36.384 4.261 1.00 1.00 H new ATOM 0 HG1 THR A 57 -5.909 -37.877 5.796 1.00 75.41 H new ATOM 0 HG21 THR A 57 -4.566 -37.181 3.937 1.00 51.23 H new ATOM 0 HG22 THR A 57 -4.774 -35.507 3.371 1.00 51.23 H new ATOM 0 HG23 THR A 57 -3.965 -35.827 4.924 1.00 51.23 H new ATOM 914 N ALA A 58 -4.327 -33.466 5.922 1.00 42.01 N ATOM 915 CA ALA A 58 -3.267 -32.905 6.767 1.00 0.44 C ATOM 916 C ALA A 58 -3.694 -31.570 7.406 1.00 14.20 C ATOM 917 O ALA A 58 -3.374 -31.290 8.563 1.00 61.31 O ATOM 918 CB ALA A 58 -1.993 -32.720 5.950 1.00 33.23 C ATOM 0 H ALA A 58 -4.219 -33.263 4.928 1.00 42.01 H new ATOM 0 HA ALA A 58 -3.076 -33.609 7.577 1.00 0.44 H new ATOM 0 HB1 ALA A 58 -1.211 -32.303 6.585 1.00 33.23 H new ATOM 0 HB2 ALA A 58 -1.668 -33.684 5.560 1.00 33.23 H new ATOM 0 HB3 ALA A 58 -2.188 -32.040 5.121 1.00 33.23 H new ATOM 924 N PHE A 59 -4.419 -30.750 6.645 1.00 71.52 N ATOM 925 CA PHE A 59 -4.830 -29.417 7.111 1.00 12.42 C ATOM 926 C PHE A 59 -5.996 -29.474 8.115 1.00 42.42 C ATOM 927 O PHE A 59 -6.073 -28.645 9.022 1.00 60.33 O ATOM 928 CB PHE A 59 -5.223 -28.526 5.923 1.00 3.45 C ATOM 929 CG PHE A 59 -4.075 -28.143 5.018 1.00 41.12 C ATOM 930 CD1 PHE A 59 -2.805 -27.917 5.535 1.00 41.34 C ATOM 931 CD2 PHE A 59 -4.273 -27.986 3.652 1.00 4.11 C ATOM 932 CE1 PHE A 59 -1.760 -27.546 4.709 1.00 43.20 C ATOM 933 CE2 PHE A 59 -3.230 -27.617 2.824 1.00 51.24 C ATOM 934 CZ PHE A 59 -1.973 -27.396 3.352 1.00 65.30 C ATOM 0 H PHE A 59 -4.736 -30.981 5.703 1.00 71.52 H new ATOM 0 HA PHE A 59 -3.969 -28.990 7.625 1.00 12.42 H new ATOM 0 HB2 PHE A 59 -5.978 -29.044 5.331 1.00 3.45 H new ATOM 0 HB3 PHE A 59 -5.686 -27.616 6.305 1.00 3.45 H new ATOM 0 HD1 PHE A 59 -2.632 -28.033 6.595 1.00 41.34 H new ATOM 0 HD2 PHE A 59 -5.254 -28.154 3.232 1.00 4.11 H new ATOM 0 HE1 PHE A 59 -0.778 -27.374 5.124 1.00 43.20 H new ATOM 0 HE2 PHE A 59 -3.398 -27.501 1.763 1.00 51.24 H new ATOM 0 HZ PHE A 59 -1.158 -27.106 2.705 1.00 65.30 H new ATOM 944 N GLN A 60 -6.894 -30.450 7.948 1.00 54.20 N ATOM 945 CA GLN A 60 -8.092 -30.586 8.802 1.00 21.31 C ATOM 946 C GLN A 60 -7.769 -30.444 10.303 1.00 3.22 C ATOM 947 O GLN A 60 -8.328 -29.586 10.992 1.00 51.33 O ATOM 948 CB GLN A 60 -8.781 -31.942 8.545 1.00 12.45 C ATOM 949 CG GLN A 60 -9.625 -31.990 7.272 1.00 72.22 C ATOM 950 CD GLN A 60 -10.841 -31.073 7.327 1.00 1.35 C ATOM 951 OE1 GLN A 60 -11.367 -30.779 8.396 1.00 5.33 O ATOM 952 NE2 GLN A 60 -11.313 -30.635 6.177 1.00 13.14 N ATOM 0 H GLN A 60 -6.818 -31.166 7.225 1.00 54.20 H new ATOM 0 HA GLN A 60 -8.765 -29.771 8.534 1.00 21.31 H new ATOM 0 HB2 GLN A 60 -8.018 -32.719 8.490 1.00 12.45 H new ATOM 0 HB3 GLN A 60 -9.417 -32.180 9.397 1.00 12.45 H new ATOM 0 HG2 GLN A 60 -9.004 -31.710 6.421 1.00 72.22 H new ATOM 0 HG3 GLN A 60 -9.957 -33.014 7.101 1.00 72.22 H new ATOM 0 HE21 GLN A 60 -10.854 -30.897 5.304 1.00 13.14 H new ATOM 0 HE22 GLN A 60 -12.137 -30.034 6.160 1.00 13.14 H new ATOM 961 N GLY A 61 -6.857 -31.277 10.798 1.00 43.41 N ATOM 962 CA GLY A 61 -6.504 -31.263 12.216 1.00 5.42 C ATOM 963 C GLY A 61 -5.946 -29.928 12.708 1.00 34.43 C ATOM 964 O GLY A 61 -5.999 -29.631 13.905 1.00 44.42 O ATOM 0 H GLY A 61 -6.351 -31.967 10.242 1.00 43.41 H new ATOM 0 HA2 GLY A 61 -7.389 -31.513 12.802 1.00 5.42 H new ATOM 0 HA3 GLY A 61 -5.767 -32.044 12.403 1.00 5.42 H new ATOM 968 N MET A 62 -5.410 -29.112 11.800 1.00 40.41 N ATOM 969 CA MET A 62 -4.919 -27.786 12.176 1.00 12.23 C ATOM 970 C MET A 62 -6.065 -26.780 12.102 1.00 61.25 C ATOM 971 O MET A 62 -6.177 -25.876 12.926 1.00 64.22 O ATOM 972 CB MET A 62 -3.770 -27.332 11.262 1.00 72.24 C ATOM 973 CG MET A 62 -2.631 -28.338 11.141 1.00 25.21 C ATOM 974 SD MET A 62 -1.146 -27.628 10.397 1.00 22.00 S ATOM 975 CE MET A 62 -1.827 -26.784 8.969 1.00 41.54 C ATOM 0 H MET A 62 -5.305 -29.341 10.812 1.00 40.41 H new ATOM 0 HA MET A 62 -4.536 -27.840 13.195 1.00 12.23 H new ATOM 0 HB2 MET A 62 -4.169 -27.131 10.268 1.00 72.24 H new ATOM 0 HB3 MET A 62 -3.370 -26.391 11.640 1.00 72.24 H new ATOM 0 HG2 MET A 62 -2.387 -28.724 12.131 1.00 25.21 H new ATOM 0 HG3 MET A 62 -2.963 -29.185 10.541 1.00 25.21 H new ATOM 0 HE1 MET A 62 -1.081 -26.751 8.175 1.00 41.54 H new ATOM 0 HE2 MET A 62 -2.709 -27.319 8.616 1.00 41.54 H new ATOM 0 HE3 MET A 62 -2.106 -25.768 9.246 1.00 41.54 H new ATOM 985 N LEU A 63 -6.932 -26.971 11.112 1.00 44.45 N ATOM 986 CA LEU A 63 -8.077 -26.092 10.889 1.00 4.12 C ATOM 987 C LEU A 63 -9.005 -26.079 12.111 1.00 11.31 C ATOM 988 O LEU A 63 -9.631 -25.063 12.427 1.00 23.03 O ATOM 989 CB LEU A 63 -8.853 -26.558 9.648 1.00 11.25 C ATOM 990 CG LEU A 63 -9.674 -25.468 8.954 1.00 53.15 C ATOM 991 CD1 LEU A 63 -8.744 -24.396 8.398 1.00 12.42 C ATOM 992 CD2 LEU A 63 -10.546 -26.063 7.852 1.00 62.41 C ATOM 0 H LEU A 63 -6.862 -27.738 10.443 1.00 44.45 H new ATOM 0 HA LEU A 63 -7.709 -25.079 10.730 1.00 4.12 H new ATOM 0 HB2 LEU A 63 -8.146 -26.972 8.930 1.00 11.25 H new ATOM 0 HB3 LEU A 63 -9.523 -27.367 9.939 1.00 11.25 H new ATOM 0 HG LEU A 63 -10.338 -25.008 9.686 1.00 53.15 H new ATOM 0 HD11 LEU A 63 -9.333 -23.623 7.905 1.00 12.42 H new ATOM 0 HD12 LEU A 63 -8.172 -23.952 9.213 1.00 12.42 H new ATOM 0 HD13 LEU A 63 -8.060 -24.845 7.678 1.00 12.42 H new ATOM 0 HD21 LEU A 63 -11.120 -25.269 7.374 1.00 62.41 H new ATOM 0 HD22 LEU A 63 -9.913 -26.551 7.111 1.00 62.41 H new ATOM 0 HD23 LEU A 63 -11.229 -26.795 8.284 1.00 62.41 H new ATOM 1004 N ARG A 64 -9.081 -27.220 12.791 1.00 74.10 N ATOM 1005 CA ARG A 64 -9.909 -27.367 13.990 1.00 30.52 C ATOM 1006 C ARG A 64 -9.408 -26.489 15.149 1.00 30.42 C ATOM 1007 O ARG A 64 -10.203 -25.854 15.840 1.00 30.33 O ATOM 1008 CB ARG A 64 -9.958 -28.839 14.417 1.00 33.11 C ATOM 1009 CG ARG A 64 -10.530 -29.749 13.337 1.00 74.42 C ATOM 1010 CD ARG A 64 -10.738 -31.175 13.826 1.00 24.30 C ATOM 1011 NE ARG A 64 -11.527 -31.951 12.872 1.00 30.44 N ATOM 1012 CZ ARG A 64 -11.084 -32.980 12.209 1.00 73.04 C ATOM 1013 NH1 ARG A 64 -9.870 -33.397 12.372 1.00 11.31 N ATOM 1014 NH2 ARG A 64 -11.864 -33.596 11.386 1.00 64.31 N ATOM 0 H ARG A 64 -8.574 -28.066 12.530 1.00 74.10 H new ATOM 0 HA ARG A 64 -10.915 -27.029 13.740 1.00 30.52 H new ATOM 0 HB2 ARG A 64 -8.952 -29.172 14.671 1.00 33.11 H new ATOM 0 HB3 ARG A 64 -10.562 -28.931 15.320 1.00 33.11 H new ATOM 0 HG2 ARG A 64 -11.481 -29.344 12.992 1.00 74.42 H new ATOM 0 HG3 ARG A 64 -9.857 -29.757 12.479 1.00 74.42 H new ATOM 0 HD2 ARG A 64 -9.771 -31.655 13.978 1.00 24.30 H new ATOM 0 HD3 ARG A 64 -11.242 -31.161 14.792 1.00 24.30 H new ATOM 0 HE ARG A 64 -12.494 -31.666 12.714 1.00 30.44 H new ATOM 0 HH11 ARG A 64 -9.250 -32.918 13.025 1.00 11.31 H new ATOM 0 HH12 ARG A 64 -9.533 -34.204 11.847 1.00 11.31 H new ATOM 0 HH21 ARG A 64 -12.824 -33.276 11.257 1.00 64.31 H new ATOM 0 HH22 ARG A 64 -11.521 -34.403 10.865 1.00 64.31 H new ATOM 1028 N LYS A 65 -8.090 -26.447 15.358 1.00 24.11 N ATOM 1029 CA LYS A 65 -7.514 -25.601 16.414 1.00 24.21 C ATOM 1030 C LYS A 65 -7.484 -24.125 15.976 1.00 44.14 C ATOM 1031 O LYS A 65 -7.306 -23.226 16.800 1.00 41.41 O ATOM 1032 CB LYS A 65 -6.106 -26.100 16.812 1.00 42.21 C ATOM 1033 CG LYS A 65 -4.994 -25.840 15.788 1.00 75.10 C ATOM 1034 CD LYS A 65 -4.281 -24.506 16.033 1.00 74.14 C ATOM 1035 CE LYS A 65 -3.108 -24.296 15.079 1.00 44.33 C ATOM 1036 NZ LYS A 65 -2.352 -23.049 15.388 1.00 25.54 N ATOM 0 H LYS A 65 -7.407 -26.980 14.820 1.00 24.11 H new ATOM 0 HA LYS A 65 -8.151 -25.672 17.295 1.00 24.21 H new ATOM 0 HB2 LYS A 65 -5.826 -25.627 17.753 1.00 42.21 H new ATOM 0 HB3 LYS A 65 -6.160 -27.173 16.998 1.00 42.21 H new ATOM 0 HG2 LYS A 65 -4.267 -26.651 15.830 1.00 75.10 H new ATOM 0 HG3 LYS A 65 -5.419 -25.844 14.784 1.00 75.10 H new ATOM 0 HD2 LYS A 65 -4.993 -23.689 15.917 1.00 74.14 H new ATOM 0 HD3 LYS A 65 -3.922 -24.472 17.061 1.00 74.14 H new ATOM 0 HE2 LYS A 65 -2.435 -25.152 15.138 1.00 44.33 H new ATOM 0 HE3 LYS A 65 -3.478 -24.251 14.055 1.00 44.33 H new ATOM 0 HZ1 LYS A 65 -1.564 -22.945 14.717 1.00 25.54 H new ATOM 0 HZ2 LYS A 65 -2.987 -22.229 15.307 1.00 25.54 H new ATOM 0 HZ3 LYS A 65 -1.977 -23.102 16.356 1.00 25.54 H new ATOM 1050 N LEU A 66 -7.653 -23.890 14.671 1.00 2.35 N ATOM 1051 CA LEU A 66 -7.741 -22.531 14.125 1.00 4.12 C ATOM 1052 C LEU A 66 -9.162 -21.957 14.281 1.00 23.11 C ATOM 1053 O LEU A 66 -9.434 -21.212 15.222 1.00 22.45 O ATOM 1054 CB LEU A 66 -7.338 -22.519 12.639 1.00 12.43 C ATOM 1055 CG LEU A 66 -5.876 -22.893 12.336 1.00 35.32 C ATOM 1056 CD1 LEU A 66 -5.654 -23.026 10.830 1.00 2.23 C ATOM 1057 CD2 LEU A 66 -4.924 -21.859 12.929 1.00 61.24 C ATOM 0 H LEU A 66 -7.732 -24.627 13.970 1.00 2.35 H new ATOM 0 HA LEU A 66 -7.051 -21.904 14.690 1.00 4.12 H new ATOM 0 HB2 LEU A 66 -7.988 -23.209 12.101 1.00 12.43 H new ATOM 0 HB3 LEU A 66 -7.528 -21.523 12.239 1.00 12.43 H new ATOM 0 HG LEU A 66 -5.667 -23.858 12.799 1.00 35.32 H new ATOM 0 HD11 LEU A 66 -4.614 -23.291 10.637 1.00 2.23 H new ATOM 0 HD12 LEU A 66 -6.306 -23.804 10.433 1.00 2.23 H new ATOM 0 HD13 LEU A 66 -5.883 -22.078 10.343 1.00 2.23 H new ATOM 0 HD21 LEU A 66 -3.895 -22.141 12.704 1.00 61.24 H new ATOM 0 HD22 LEU A 66 -5.135 -20.881 12.497 1.00 61.24 H new ATOM 0 HD23 LEU A 66 -5.061 -21.816 14.010 1.00 61.24 H new ATOM 1069 N ASP A 67 -10.058 -22.346 13.364 1.00 54.45 N ATOM 1070 CA ASP A 67 -11.421 -21.789 13.275 1.00 44.53 C ATOM 1071 C ASP A 67 -11.416 -20.251 13.393 1.00 14.42 C ATOM 1072 O ASP A 67 -11.495 -19.692 14.489 1.00 61.23 O ATOM 1073 CB ASP A 67 -12.343 -22.410 14.332 1.00 54.35 C ATOM 1074 CG ASP A 67 -13.810 -22.109 14.064 1.00 34.23 C ATOM 1075 OD1 ASP A 67 -14.423 -22.823 13.239 1.00 24.24 O ATOM 1076 OD2 ASP A 67 -14.358 -21.161 14.666 1.00 4.23 O ATOM 0 H ASP A 67 -9.861 -23.057 12.660 1.00 54.45 H new ATOM 0 HA ASP A 67 -11.810 -22.045 12.290 1.00 44.53 H new ATOM 0 HB2 ASP A 67 -12.193 -23.489 14.353 1.00 54.35 H new ATOM 0 HB3 ASP A 67 -12.070 -22.031 15.317 1.00 54.35 H new ATOM 1081 N ILE A 68 -11.309 -19.579 12.254 1.00 21.22 N ATOM 1082 CA ILE A 68 -11.203 -18.118 12.221 1.00 51.13 C ATOM 1083 C ILE A 68 -12.515 -17.444 12.662 1.00 55.54 C ATOM 1084 O ILE A 68 -13.485 -17.374 11.903 1.00 20.53 O ATOM 1085 CB ILE A 68 -10.793 -17.605 10.809 1.00 10.40 C ATOM 1086 CG1 ILE A 68 -9.347 -18.023 10.455 1.00 42.23 C ATOM 1087 CG2 ILE A 68 -10.949 -16.085 10.709 1.00 11.13 C ATOM 1088 CD1 ILE A 68 -9.129 -19.519 10.323 1.00 4.42 C ATOM 0 H ILE A 68 -11.293 -20.021 11.335 1.00 21.22 H new ATOM 0 HA ILE A 68 -10.420 -17.846 12.929 1.00 51.13 H new ATOM 0 HB ILE A 68 -11.465 -18.068 10.087 1.00 10.40 H new ATOM 0 HG12 ILE A 68 -9.066 -17.545 9.517 1.00 42.23 H new ATOM 0 HG13 ILE A 68 -8.675 -17.639 11.222 1.00 42.23 H new ATOM 0 HG21 ILE A 68 -10.656 -15.754 9.713 1.00 11.13 H new ATOM 0 HG22 ILE A 68 -11.989 -15.813 10.890 1.00 11.13 H new ATOM 0 HG23 ILE A 68 -10.313 -15.604 11.453 1.00 11.13 H new ATOM 0 HD11 ILE A 68 -8.086 -19.714 10.073 1.00 4.42 H new ATOM 0 HD12 ILE A 68 -9.374 -20.007 11.266 1.00 4.42 H new ATOM 0 HD13 ILE A 68 -9.770 -19.912 9.534 1.00 4.42 H new ATOM 1100 N LYS A 69 -12.533 -16.948 13.898 1.00 35.51 N ATOM 1101 CA LYS A 69 -13.714 -16.270 14.442 1.00 13.11 C ATOM 1102 C LYS A 69 -13.631 -14.742 14.266 1.00 51.52 C ATOM 1103 O LYS A 69 -14.626 -14.037 14.448 1.00 61.23 O ATOM 1104 CB LYS A 69 -13.946 -16.668 15.920 1.00 54.24 C ATOM 1105 CG LYS A 69 -12.683 -16.755 16.784 1.00 65.22 C ATOM 1106 CD LYS A 69 -12.150 -15.387 17.207 1.00 53.41 C ATOM 1107 CE LYS A 69 -13.037 -14.717 18.248 1.00 32.22 C ATOM 1108 NZ LYS A 69 -12.473 -13.416 18.703 1.00 70.35 N ATOM 0 H LYS A 69 -11.745 -17.002 14.543 1.00 35.51 H new ATOM 0 HA LYS A 69 -14.580 -16.603 13.869 1.00 13.11 H new ATOM 0 HB2 LYS A 69 -14.625 -15.944 16.371 1.00 54.24 H new ATOM 0 HB3 LYS A 69 -14.449 -17.635 15.944 1.00 54.24 H new ATOM 0 HG2 LYS A 69 -12.899 -17.345 17.675 1.00 65.22 H new ATOM 0 HG3 LYS A 69 -11.908 -17.285 16.231 1.00 65.22 H new ATOM 0 HD2 LYS A 69 -11.143 -15.501 17.610 1.00 53.41 H new ATOM 0 HD3 LYS A 69 -12.072 -14.743 16.331 1.00 53.41 H new ATOM 0 HE2 LYS A 69 -14.030 -14.556 17.829 1.00 32.22 H new ATOM 0 HE3 LYS A 69 -13.156 -15.380 19.105 1.00 32.22 H new ATOM 0 HZ1 LYS A 69 -13.041 -13.049 19.493 1.00 70.35 H new ATOM 0 HZ2 LYS A 69 -11.491 -13.554 19.017 1.00 70.35 H new ATOM 0 HZ3 LYS A 69 -12.493 -12.735 17.917 1.00 70.35 H new ATOM 1122 N ASN A 70 -12.451 -14.234 13.898 1.00 41.54 N ATOM 1123 CA ASN A 70 -12.290 -12.802 13.592 1.00 3.25 C ATOM 1124 C ASN A 70 -10.998 -12.522 12.806 1.00 25.41 C ATOM 1125 O ASN A 70 -10.179 -13.417 12.590 1.00 63.34 O ATOM 1126 CB ASN A 70 -12.322 -11.954 14.877 1.00 3.21 C ATOM 1127 CG ASN A 70 -11.068 -12.065 15.735 1.00 31.43 C ATOM 1128 OD1 ASN A 70 -10.432 -13.214 15.748 1.00 35.41 O flip ATOM 1129 ND2 ASN A 70 -10.677 -11.111 16.396 1.00 2.51 N flip ATOM 0 H ASN A 70 -11.597 -14.784 13.804 1.00 41.54 H new ATOM 0 HA ASN A 70 -13.133 -12.518 12.962 1.00 3.25 H new ATOM 0 HB2 ASN A 70 -12.470 -10.909 14.605 1.00 3.21 H new ATOM 0 HB3 ASN A 70 -13.184 -12.253 15.474 1.00 3.21 H new ATOM 0 HD21 ASN A 70 -11.188 -10.229 16.370 1.00 2.51 H new ATOM 0 HD22 ASN A 70 -9.840 -11.199 16.973 1.00 2.51 H new ATOM 1136 N GLU A 71 -10.824 -11.261 12.400 1.00 44.41 N ATOM 1137 CA GLU A 71 -9.652 -10.827 11.620 1.00 25.35 C ATOM 1138 C GLU A 71 -8.323 -11.265 12.261 1.00 3.44 C ATOM 1139 O GLU A 71 -7.372 -11.619 11.562 1.00 15.01 O ATOM 1140 CB GLU A 71 -9.663 -9.300 11.474 1.00 41.23 C ATOM 1141 CG GLU A 71 -8.498 -8.745 10.657 1.00 5.22 C ATOM 1142 CD GLU A 71 -8.361 -7.238 10.787 1.00 13.32 C ATOM 1143 OE1 GLU A 71 -9.098 -6.503 10.099 1.00 70.55 O ATOM 1144 OE2 GLU A 71 -7.528 -6.784 11.601 1.00 5.34 O ATOM 0 H GLU A 71 -11.487 -10.512 12.600 1.00 44.41 H new ATOM 0 HA GLU A 71 -9.722 -11.305 10.643 1.00 25.35 H new ATOM 0 HB2 GLU A 71 -10.599 -8.997 11.005 1.00 41.23 H new ATOM 0 HB3 GLU A 71 -9.644 -8.850 12.467 1.00 41.23 H new ATOM 0 HG2 GLU A 71 -7.572 -9.220 10.982 1.00 5.22 H new ATOM 0 HG3 GLU A 71 -8.638 -9.004 9.608 1.00 5.22 H new ATOM 1151 N ASP A 72 -8.261 -11.240 13.591 1.00 42.35 N ATOM 1152 CA ASP A 72 -7.032 -11.583 14.312 1.00 41.42 C ATOM 1153 C ASP A 72 -6.530 -12.995 13.952 1.00 21.31 C ATOM 1154 O ASP A 72 -5.327 -13.208 13.788 1.00 24.50 O ATOM 1155 CB ASP A 72 -7.248 -11.454 15.821 1.00 44.34 C ATOM 1156 CG ASP A 72 -5.951 -11.595 16.596 1.00 72.43 C ATOM 1157 OD1 ASP A 72 -5.012 -10.812 16.331 1.00 73.24 O ATOM 1158 OD2 ASP A 72 -5.866 -12.470 17.479 1.00 3.24 O ATOM 0 H ASP A 72 -9.045 -10.987 14.192 1.00 42.35 H new ATOM 0 HA ASP A 72 -6.260 -10.878 14.004 1.00 41.42 H new ATOM 0 HB2 ASP A 72 -7.698 -10.486 16.041 1.00 44.34 H new ATOM 0 HB3 ASP A 72 -7.953 -12.216 16.153 1.00 44.34 H new ATOM 1163 N ASP A 73 -7.453 -13.949 13.806 1.00 51.13 N ATOM 1164 CA ASP A 73 -7.088 -15.314 13.404 1.00 34.03 C ATOM 1165 C ASP A 73 -6.470 -15.322 11.998 1.00 31.15 C ATOM 1166 O ASP A 73 -5.556 -16.096 11.714 1.00 20.21 O ATOM 1167 CB ASP A 73 -8.307 -16.237 13.425 1.00 65.13 C ATOM 1168 CG ASP A 73 -9.021 -16.232 14.759 1.00 33.23 C ATOM 1169 OD1 ASP A 73 -8.446 -16.729 15.750 1.00 10.31 O ATOM 1170 OD2 ASP A 73 -10.159 -15.729 14.817 1.00 24.33 O ATOM 0 H ASP A 73 -8.451 -13.806 13.958 1.00 51.13 H new ATOM 0 HA ASP A 73 -6.353 -15.680 14.121 1.00 34.03 H new ATOM 0 HB2 ASP A 73 -9.003 -15.931 12.644 1.00 65.13 H new ATOM 0 HB3 ASP A 73 -7.992 -17.254 13.190 1.00 65.13 H new ATOM 1175 N VAL A 74 -6.981 -14.455 11.124 1.00 65.30 N ATOM 1176 CA VAL A 74 -6.428 -14.292 9.776 1.00 24.53 C ATOM 1177 C VAL A 74 -4.980 -13.777 9.846 1.00 50.44 C ATOM 1178 O VAL A 74 -4.090 -14.286 9.162 1.00 44.22 O ATOM 1179 CB VAL A 74 -7.290 -13.316 8.930 1.00 35.44 C ATOM 1180 CG1 VAL A 74 -6.674 -13.093 7.551 1.00 25.51 C ATOM 1181 CG2 VAL A 74 -8.728 -13.828 8.808 1.00 54.14 C ATOM 0 H VAL A 74 -7.779 -13.852 11.324 1.00 65.30 H new ATOM 0 HA VAL A 74 -6.438 -15.270 9.294 1.00 24.53 H new ATOM 0 HB VAL A 74 -7.313 -12.356 9.445 1.00 35.44 H new ATOM 0 HG11 VAL A 74 -7.298 -12.406 6.980 1.00 25.51 H new ATOM 0 HG12 VAL A 74 -5.676 -12.669 7.663 1.00 25.51 H new ATOM 0 HG13 VAL A 74 -6.607 -14.045 7.024 1.00 25.51 H new ATOM 0 HG21 VAL A 74 -9.314 -13.129 8.211 1.00 54.14 H new ATOM 0 HG22 VAL A 74 -8.727 -14.805 8.325 1.00 54.14 H new ATOM 0 HG23 VAL A 74 -9.169 -13.915 9.801 1.00 54.14 H new ATOM 1191 N LYS A 75 -4.749 -12.774 10.691 1.00 65.31 N ATOM 1192 CA LYS A 75 -3.395 -12.261 10.922 1.00 34.31 C ATOM 1193 C LYS A 75 -2.502 -13.341 11.563 1.00 64.24 C ATOM 1194 O LYS A 75 -1.289 -13.370 11.350 1.00 22.12 O ATOM 1195 CB LYS A 75 -3.446 -10.998 11.795 1.00 34.20 C ATOM 1196 CG LYS A 75 -4.287 -9.876 11.185 1.00 75.31 C ATOM 1197 CD LYS A 75 -4.206 -8.566 11.975 1.00 31.04 C ATOM 1198 CE LYS A 75 -4.778 -8.686 13.389 1.00 30.23 C ATOM 1199 NZ LYS A 75 -3.802 -9.263 14.354 1.00 23.03 N ATOM 0 H LYS A 75 -5.477 -12.300 11.226 1.00 65.31 H new ATOM 0 HA LYS A 75 -2.956 -11.995 9.960 1.00 34.31 H new ATOM 0 HB2 LYS A 75 -3.852 -11.257 12.773 1.00 34.20 H new ATOM 0 HB3 LYS A 75 -2.431 -10.635 11.957 1.00 34.20 H new ATOM 0 HG2 LYS A 75 -3.956 -9.697 10.162 1.00 75.31 H new ATOM 0 HG3 LYS A 75 -5.327 -10.198 11.132 1.00 75.31 H new ATOM 0 HD2 LYS A 75 -3.165 -8.248 12.036 1.00 31.04 H new ATOM 0 HD3 LYS A 75 -4.746 -7.788 11.435 1.00 31.04 H new ATOM 0 HE2 LYS A 75 -5.088 -7.700 13.737 1.00 30.23 H new ATOM 0 HE3 LYS A 75 -5.671 -9.310 13.364 1.00 30.23 H new ATOM 0 HZ1 LYS A 75 -4.223 -10.092 14.819 1.00 23.03 H new ATOM 0 HZ2 LYS A 75 -2.941 -9.550 13.847 1.00 23.03 H new ATOM 0 HZ3 LYS A 75 -3.560 -8.550 15.071 1.00 23.03 H new ATOM 1213 N SER A 76 -3.114 -14.235 12.342 1.00 15.23 N ATOM 1214 CA SER A 76 -2.412 -15.412 12.879 1.00 64.32 C ATOM 1215 C SER A 76 -2.042 -16.385 11.747 1.00 51.21 C ATOM 1216 O SER A 76 -0.944 -16.950 11.727 1.00 54.24 O ATOM 1217 CB SER A 76 -3.282 -16.129 13.925 1.00 3.33 C ATOM 1218 OG SER A 76 -2.676 -17.330 14.383 1.00 11.10 O ATOM 0 H SER A 76 -4.094 -14.170 12.617 1.00 15.23 H new ATOM 0 HA SER A 76 -1.495 -15.070 13.360 1.00 64.32 H new ATOM 0 HB2 SER A 76 -3.455 -15.464 14.771 1.00 3.33 H new ATOM 0 HB3 SER A 76 -4.257 -16.356 13.493 1.00 3.33 H new ATOM 0 HG SER A 76 -3.257 -17.757 15.047 1.00 11.10 H new ATOM 1224 N LEU A 77 -2.961 -16.564 10.793 1.00 64.31 N ATOM 1225 CA LEU A 77 -2.705 -17.404 9.615 1.00 34.24 C ATOM 1226 C LEU A 77 -1.494 -16.895 8.823 1.00 61.34 C ATOM 1227 O LEU A 77 -0.739 -17.685 8.262 1.00 61.44 O ATOM 1228 CB LEU A 77 -3.933 -17.453 8.697 1.00 4.33 C ATOM 1229 CG LEU A 77 -5.173 -18.143 9.285 1.00 12.41 C ATOM 1230 CD1 LEU A 77 -6.326 -18.108 8.286 1.00 71.24 C ATOM 1231 CD2 LEU A 77 -4.854 -19.579 9.696 1.00 44.01 C ATOM 0 H LEU A 77 -3.888 -16.140 10.812 1.00 64.31 H new ATOM 0 HA LEU A 77 -2.491 -18.410 9.976 1.00 34.24 H new ATOM 0 HB2 LEU A 77 -4.202 -16.432 8.425 1.00 4.33 H new ATOM 0 HB3 LEU A 77 -3.656 -17.966 7.776 1.00 4.33 H new ATOM 0 HG LEU A 77 -5.476 -17.598 10.179 1.00 12.41 H new ATOM 0 HD11 LEU A 77 -7.197 -18.601 8.718 1.00 71.24 H new ATOM 0 HD12 LEU A 77 -6.574 -17.073 8.053 1.00 71.24 H new ATOM 0 HD13 LEU A 77 -6.032 -18.625 7.373 1.00 71.24 H new ATOM 0 HD21 LEU A 77 -5.748 -20.046 10.109 1.00 44.01 H new ATOM 0 HD22 LEU A 77 -4.521 -20.142 8.824 1.00 44.01 H new ATOM 0 HD23 LEU A 77 -4.065 -19.575 10.448 1.00 44.01 H new ATOM 1243 N SER A 78 -1.314 -15.571 8.790 1.00 50.11 N ATOM 1244 CA SER A 78 -0.147 -14.957 8.135 1.00 65.22 C ATOM 1245 C SER A 78 1.159 -15.580 8.645 1.00 31.23 C ATOM 1246 O SER A 78 2.099 -15.794 7.880 1.00 23.00 O ATOM 1247 CB SER A 78 -0.124 -13.439 8.381 1.00 3.11 C ATOM 1248 OG SER A 78 -1.313 -12.820 7.912 1.00 24.14 O ATOM 0 H SER A 78 -1.960 -14.901 9.208 1.00 50.11 H new ATOM 0 HA SER A 78 -0.231 -15.144 7.064 1.00 65.22 H new ATOM 0 HB2 SER A 78 -0.006 -13.243 9.447 1.00 3.11 H new ATOM 0 HB3 SER A 78 0.739 -13.001 7.879 1.00 3.11 H new ATOM 0 HG SER A 78 -1.270 -11.856 8.084 1.00 24.14 H new ATOM 1254 N ARG A 79 1.201 -15.886 9.943 1.00 62.44 N ATOM 1255 CA ARG A 79 2.353 -16.569 10.541 1.00 51.53 C ATOM 1256 C ARG A 79 2.531 -17.980 9.961 1.00 45.21 C ATOM 1257 O ARG A 79 3.630 -18.352 9.546 1.00 72.25 O ATOM 1258 CB ARG A 79 2.207 -16.631 12.069 1.00 74.13 C ATOM 1259 CG ARG A 79 2.467 -15.297 12.761 1.00 72.45 C ATOM 1260 CD ARG A 79 3.900 -14.826 12.529 1.00 75.31 C ATOM 1261 NE ARG A 79 4.192 -13.566 13.201 1.00 42.23 N ATOM 1262 CZ ARG A 79 5.388 -13.058 13.312 1.00 30.54 C ATOM 1263 NH1 ARG A 79 6.419 -13.671 12.819 1.00 65.23 N ATOM 1264 NH2 ARG A 79 5.549 -11.933 13.922 1.00 33.22 N ATOM 0 H ARG A 79 0.452 -15.672 10.601 1.00 62.44 H new ATOM 0 HA ARG A 79 3.246 -15.993 10.297 1.00 51.53 H new ATOM 0 HB2 ARG A 79 1.201 -16.969 12.316 1.00 74.13 H new ATOM 0 HB3 ARG A 79 2.899 -17.376 12.462 1.00 74.13 H new ATOM 0 HG2 ARG A 79 1.770 -14.548 12.386 1.00 72.45 H new ATOM 0 HG3 ARG A 79 2.283 -15.397 13.831 1.00 72.45 H new ATOM 0 HD2 ARG A 79 4.592 -15.591 12.883 1.00 75.31 H new ATOM 0 HD3 ARG A 79 4.072 -14.711 11.459 1.00 75.31 H new ATOM 0 HE ARG A 79 3.413 -13.050 13.610 1.00 42.23 H new ATOM 0 HH11 ARG A 79 6.300 -14.562 12.337 1.00 65.23 H new ATOM 0 HH12 ARG A 79 7.349 -13.262 12.913 1.00 65.23 H new ATOM 0 HH21 ARG A 79 4.743 -11.446 14.314 1.00 33.22 H new ATOM 0 HH22 ARG A 79 6.482 -11.531 14.012 1.00 33.22 H new ATOM 1278 N VAL A 80 1.448 -18.755 9.917 1.00 55.43 N ATOM 1279 CA VAL A 80 1.483 -20.089 9.303 1.00 33.11 C ATOM 1280 C VAL A 80 1.993 -20.002 7.857 1.00 33.42 C ATOM 1281 O VAL A 80 2.797 -20.824 7.415 1.00 52.10 O ATOM 1282 CB VAL A 80 0.085 -20.766 9.315 1.00 2.34 C ATOM 1283 CG1 VAL A 80 0.125 -22.124 8.614 1.00 2.13 C ATOM 1284 CG2 VAL A 80 -0.434 -20.909 10.746 1.00 61.14 C ATOM 0 H VAL A 80 0.539 -18.488 10.296 1.00 55.43 H new ATOM 0 HA VAL A 80 2.164 -20.698 9.897 1.00 33.11 H new ATOM 0 HB VAL A 80 -0.603 -20.125 8.764 1.00 2.34 H new ATOM 0 HG11 VAL A 80 -0.867 -22.575 8.638 1.00 2.13 H new ATOM 0 HG12 VAL A 80 0.438 -21.990 7.579 1.00 2.13 H new ATOM 0 HG13 VAL A 80 0.832 -22.777 9.125 1.00 2.13 H new ATOM 0 HG21 VAL A 80 -1.414 -21.385 10.732 1.00 61.14 H new ATOM 0 HG22 VAL A 80 0.258 -21.521 11.325 1.00 61.14 H new ATOM 0 HG23 VAL A 80 -0.516 -19.923 11.203 1.00 61.14 H new ATOM 1294 N MET A 81 1.538 -18.976 7.142 1.00 4.24 N ATOM 1295 CA MET A 81 1.974 -18.723 5.765 1.00 64.11 C ATOM 1296 C MET A 81 3.489 -18.476 5.692 1.00 53.43 C ATOM 1297 O MET A 81 4.160 -18.921 4.761 1.00 52.04 O ATOM 1298 CB MET A 81 1.209 -17.527 5.193 1.00 54.50 C ATOM 1299 CG MET A 81 -0.294 -17.741 5.189 1.00 65.42 C ATOM 1300 SD MET A 81 -0.765 -19.266 4.352 1.00 2.01 S ATOM 1301 CE MET A 81 -2.488 -19.384 4.811 1.00 72.20 C ATOM 0 H MET A 81 0.861 -18.299 7.495 1.00 4.24 H new ATOM 0 HA MET A 81 1.757 -19.609 5.169 1.00 64.11 H new ATOM 0 HB2 MET A 81 1.444 -16.637 5.778 1.00 54.50 H new ATOM 0 HB3 MET A 81 1.548 -17.338 4.174 1.00 54.50 H new ATOM 0 HG2 MET A 81 -0.658 -17.765 6.216 1.00 65.42 H new ATOM 0 HG3 MET A 81 -0.778 -16.896 4.699 1.00 65.42 H new ATOM 0 HE1 MET A 81 -3.006 -20.043 4.114 1.00 72.20 H new ATOM 0 HE2 MET A 81 -2.569 -19.787 5.821 1.00 72.20 H new ATOM 0 HE3 MET A 81 -2.942 -18.394 4.778 1.00 72.20 H new ATOM 1311 N ILE A 82 4.025 -17.766 6.685 1.00 72.55 N ATOM 1312 CA ILE A 82 5.475 -17.574 6.804 1.00 62.34 C ATOM 1313 C ILE A 82 6.188 -18.926 6.981 1.00 42.45 C ATOM 1314 O ILE A 82 7.266 -19.153 6.428 1.00 45.52 O ATOM 1315 CB ILE A 82 5.825 -16.639 7.993 1.00 13.10 C ATOM 1316 CG1 ILE A 82 5.206 -15.246 7.779 1.00 61.33 C ATOM 1317 CG2 ILE A 82 7.340 -16.534 8.179 1.00 3.30 C ATOM 1318 CD1 ILE A 82 5.396 -14.301 8.949 1.00 23.22 C ATOM 0 H ILE A 82 3.480 -17.314 7.419 1.00 72.55 H new ATOM 0 HA ILE A 82 5.820 -17.105 5.883 1.00 62.34 H new ATOM 0 HB ILE A 82 5.404 -17.070 8.902 1.00 13.10 H new ATOM 0 HG12 ILE A 82 5.645 -14.798 6.888 1.00 61.33 H new ATOM 0 HG13 ILE A 82 4.139 -15.359 7.586 1.00 61.33 H new ATOM 0 HG21 ILE A 82 7.559 -15.873 9.018 1.00 3.30 H new ATOM 0 HG22 ILE A 82 7.751 -17.523 8.379 1.00 3.30 H new ATOM 0 HG23 ILE A 82 7.791 -16.130 7.272 1.00 3.30 H new ATOM 0 HD11 ILE A 82 4.932 -13.341 8.721 1.00 23.22 H new ATOM 0 HD12 ILE A 82 4.932 -14.726 9.839 1.00 23.22 H new ATOM 0 HD13 ILE A 82 6.461 -14.155 9.130 1.00 23.22 H new ATOM 1330 N HIS A 83 5.568 -19.828 7.745 1.00 51.42 N ATOM 1331 CA HIS A 83 6.096 -21.189 7.914 1.00 15.44 C ATOM 1332 C HIS A 83 5.986 -22.002 6.611 1.00 23.33 C ATOM 1333 O HIS A 83 6.795 -22.894 6.364 1.00 43.33 O ATOM 1334 CB HIS A 83 5.381 -21.915 9.064 1.00 24.53 C ATOM 1335 CG HIS A 83 5.754 -21.393 10.422 1.00 30.45 C ATOM 1336 ND1 HIS A 83 5.360 -20.281 11.089 1.00 34.44 N flip ATOM 1337 CD2 HIS A 83 6.653 -22.027 11.252 1.00 74.31 C flip ATOM 1338 CE1 HIS A 83 6.026 -20.268 12.287 1.00 15.34 C flip ATOM 1339 NE2 HIS A 83 6.797 -21.331 12.361 1.00 42.31 N flip ATOM 0 H HIS A 83 4.704 -19.645 8.255 1.00 51.42 H new ATOM 0 HA HIS A 83 7.153 -21.101 8.165 1.00 15.44 H new ATOM 0 HB2 HIS A 83 4.303 -21.820 8.930 1.00 24.53 H new ATOM 0 HB3 HIS A 83 5.616 -22.978 9.014 1.00 24.53 H new ATOM 0 HD1 HIS A 83 4.692 -19.583 10.761 1.00 34.44 H new ATOM 0 HD2 HIS A 83 7.162 -22.953 11.028 1.00 74.31 H new ATOM 0 HE1 HIS A 83 5.933 -19.507 13.048 1.00 15.34 H new ATOM 1348 N VAL A 84 4.992 -21.685 5.779 1.00 61.21 N ATOM 1349 CA VAL A 84 4.858 -22.316 4.458 1.00 13.15 C ATOM 1350 C VAL A 84 6.084 -22.022 3.574 1.00 5.31 C ATOM 1351 O VAL A 84 6.507 -22.863 2.777 1.00 64.13 O ATOM 1352 CB VAL A 84 3.568 -21.847 3.730 1.00 75.33 C ATOM 1353 CG1 VAL A 84 3.490 -22.430 2.318 1.00 30.35 C ATOM 1354 CG2 VAL A 84 2.326 -22.224 4.536 1.00 73.21 C ATOM 0 H VAL A 84 4.269 -20.998 5.992 1.00 61.21 H new ATOM 0 HA VAL A 84 4.791 -23.391 4.626 1.00 13.15 H new ATOM 0 HB VAL A 84 3.607 -20.761 3.645 1.00 75.33 H new ATOM 0 HG11 VAL A 84 2.577 -22.085 1.832 1.00 30.35 H new ATOM 0 HG12 VAL A 84 4.355 -22.102 1.741 1.00 30.35 H new ATOM 0 HG13 VAL A 84 3.482 -23.519 2.374 1.00 30.35 H new ATOM 0 HG21 VAL A 84 1.434 -21.886 4.009 1.00 73.21 H new ATOM 0 HG22 VAL A 84 2.287 -23.306 4.659 1.00 73.21 H new ATOM 0 HG23 VAL A 84 2.370 -21.749 5.516 1.00 73.21 H new ATOM 1364 N PHE A 85 6.655 -20.827 3.726 1.00 54.32 N ATOM 1365 CA PHE A 85 7.871 -20.451 2.993 1.00 43.42 C ATOM 1366 C PHE A 85 9.141 -20.671 3.832 1.00 44.44 C ATOM 1367 O PHE A 85 10.213 -20.153 3.501 1.00 75.32 O ATOM 1368 CB PHE A 85 7.790 -18.990 2.535 1.00 53.20 C ATOM 1369 CG PHE A 85 6.747 -18.750 1.472 1.00 44.31 C ATOM 1370 CD1 PHE A 85 6.649 -19.600 0.379 1.00 51.51 C ATOM 1371 CD2 PHE A 85 5.870 -17.682 1.564 1.00 62.43 C ATOM 1372 CE1 PHE A 85 5.698 -19.389 -0.598 1.00 4.33 C ATOM 1373 CE2 PHE A 85 4.917 -17.466 0.589 1.00 11.42 C ATOM 1374 CZ PHE A 85 4.831 -18.321 -0.493 1.00 73.11 C ATOM 0 H PHE A 85 6.298 -20.102 4.348 1.00 54.32 H new ATOM 0 HA PHE A 85 7.935 -21.100 2.119 1.00 43.42 H new ATOM 0 HB2 PHE A 85 7.571 -18.359 3.396 1.00 53.20 H new ATOM 0 HB3 PHE A 85 8.764 -18.682 2.154 1.00 53.20 H new ATOM 0 HD1 PHE A 85 7.326 -20.437 0.292 1.00 51.51 H new ATOM 0 HD2 PHE A 85 5.932 -17.011 2.408 1.00 62.43 H new ATOM 0 HE1 PHE A 85 5.632 -20.058 -1.443 1.00 4.33 H new ATOM 0 HE2 PHE A 85 4.239 -16.629 0.672 1.00 11.42 H new ATOM 0 HZ PHE A 85 4.085 -18.153 -1.256 1.00 73.11 H new ATOM 1458 N TRP A 92 8.183 -24.242 -7.017 1.00 11.25 N ATOM 1459 CA TRP A 92 6.948 -23.438 -7.001 1.00 40.25 C ATOM 1460 C TRP A 92 5.778 -24.154 -6.291 1.00 10.34 C ATOM 1461 O TRP A 92 4.746 -23.541 -6.012 1.00 71.24 O ATOM 1462 CB TRP A 92 6.547 -23.057 -8.435 1.00 45.55 C ATOM 1463 CG TRP A 92 7.570 -22.199 -9.131 1.00 1.12 C ATOM 1464 CD1 TRP A 92 8.524 -22.608 -10.021 1.00 2.43 C ATOM 1465 CD2 TRP A 92 7.750 -20.784 -8.979 1.00 41.22 C ATOM 1466 NE1 TRP A 92 9.280 -21.534 -10.432 1.00 51.01 N ATOM 1467 CE2 TRP A 92 8.825 -20.405 -9.807 1.00 3.12 C ATOM 1468 CE3 TRP A 92 7.106 -19.802 -8.225 1.00 51.21 C ATOM 1469 CZ2 TRP A 92 9.267 -19.085 -9.899 1.00 74.14 C ATOM 1470 CZ3 TRP A 92 7.544 -18.493 -8.316 1.00 53.32 C ATOM 1471 CH2 TRP A 92 8.616 -18.145 -9.147 1.00 23.43 C ATOM 0 HA TRP A 92 7.162 -22.536 -6.427 1.00 40.25 H new ATOM 0 HB2 TRP A 92 6.391 -23.967 -9.015 1.00 45.55 H new ATOM 0 HB3 TRP A 92 5.595 -22.527 -8.410 1.00 45.55 H new ATOM 0 HD1 TRP A 92 8.664 -23.626 -10.353 1.00 2.43 H new ATOM 0 HE1 TRP A 92 10.054 -21.573 -11.095 1.00 51.01 H new ATOM 0 HE3 TRP A 92 6.279 -20.060 -7.581 1.00 51.21 H new ATOM 0 HZ2 TRP A 92 10.093 -18.815 -10.540 1.00 74.14 H new ATOM 0 HZ3 TRP A 92 7.051 -17.727 -7.736 1.00 53.32 H new ATOM 0 HH2 TRP A 92 8.935 -17.114 -9.195 1.00 23.43 H new ATOM 1482 N GLY A 93 5.944 -25.444 -5.990 1.00 30.03 N ATOM 1483 CA GLY A 93 4.934 -26.182 -5.229 1.00 25.30 C ATOM 1484 C GLY A 93 4.629 -25.544 -3.870 1.00 60.21 C ATOM 1485 O GLY A 93 3.541 -25.721 -3.315 1.00 40.33 O ATOM 0 H GLY A 93 6.760 -25.994 -6.258 1.00 30.03 H new ATOM 0 HA2 GLY A 93 4.015 -26.238 -5.813 1.00 25.30 H new ATOM 0 HA3 GLY A 93 5.277 -27.205 -5.076 1.00 25.30 H new ATOM 1489 N ARG A 94 5.593 -24.794 -3.335 1.00 44.01 N ATOM 1490 CA ARG A 94 5.399 -24.063 -2.078 1.00 71.51 C ATOM 1491 C ARG A 94 4.429 -22.882 -2.269 1.00 50.22 C ATOM 1492 O ARG A 94 3.632 -22.570 -1.382 1.00 54.21 O ATOM 1493 CB ARG A 94 6.752 -23.579 -1.535 1.00 65.44 C ATOM 1494 CG ARG A 94 7.740 -24.717 -1.277 1.00 63.32 C ATOM 1495 CD ARG A 94 7.234 -25.679 -0.202 1.00 22.34 C ATOM 1496 NE ARG A 94 8.030 -26.906 -0.132 1.00 42.22 N ATOM 1497 CZ ARG A 94 7.819 -27.870 0.728 1.00 63.53 C ATOM 1498 NH1 ARG A 94 6.928 -27.747 1.655 1.00 34.25 N ATOM 1499 NH2 ARG A 94 8.521 -28.950 0.673 1.00 31.11 N ATOM 0 H ARG A 94 6.517 -24.675 -3.751 1.00 44.01 H new ATOM 0 HA ARG A 94 4.954 -24.741 -1.349 1.00 71.51 H new ATOM 0 HB2 ARG A 94 7.192 -22.879 -2.245 1.00 65.44 H new ATOM 0 HB3 ARG A 94 6.589 -23.031 -0.607 1.00 65.44 H new ATOM 0 HG2 ARG A 94 7.912 -25.265 -2.203 1.00 63.32 H new ATOM 0 HG3 ARG A 94 8.700 -24.302 -0.970 1.00 63.32 H new ATOM 0 HD2 ARG A 94 7.254 -25.180 0.767 1.00 22.34 H new ATOM 0 HD3 ARG A 94 6.194 -25.935 -0.407 1.00 22.34 H new ATOM 0 HE ARG A 94 8.797 -27.016 -0.795 1.00 42.22 H new ATOM 0 HH11 ARG A 94 6.378 -26.891 1.724 1.00 34.25 H new ATOM 0 HH12 ARG A 94 6.774 -28.506 2.318 1.00 34.25 H new ATOM 0 HH21 ARG A 94 9.242 -29.054 -0.041 1.00 31.11 H new ATOM 0 HH22 ARG A 94 8.356 -29.700 1.344 1.00 31.11 H new ATOM 1513 N ILE A 95 4.493 -22.244 -3.441 1.00 21.15 N ATOM 1514 CA ILE A 95 3.537 -21.189 -3.806 1.00 25.31 C ATOM 1515 C ILE A 95 2.116 -21.768 -3.877 1.00 71.23 C ATOM 1516 O ILE A 95 1.160 -21.187 -3.356 1.00 41.12 O ATOM 1517 CB ILE A 95 3.897 -20.551 -5.175 1.00 42.32 C ATOM 1518 CG1 ILE A 95 5.347 -20.028 -5.169 1.00 10.24 C ATOM 1519 CG2 ILE A 95 2.918 -19.429 -5.526 1.00 72.41 C ATOM 1520 CD1 ILE A 95 5.614 -18.938 -4.149 1.00 35.13 C ATOM 0 H ILE A 95 5.196 -22.438 -4.155 1.00 21.15 H new ATOM 0 HA ILE A 95 3.585 -20.417 -3.038 1.00 25.31 H new ATOM 0 HB ILE A 95 3.817 -21.323 -5.940 1.00 42.32 H new ATOM 0 HG12 ILE A 95 6.021 -20.863 -4.976 1.00 10.24 H new ATOM 0 HG13 ILE A 95 5.587 -19.647 -6.162 1.00 10.24 H new ATOM 0 HG21 ILE A 95 3.190 -18.997 -6.489 1.00 72.41 H new ATOM 0 HG22 ILE A 95 1.907 -19.833 -5.582 1.00 72.41 H new ATOM 0 HG23 ILE A 95 2.959 -18.657 -4.758 1.00 72.41 H new ATOM 0 HD11 ILE A 95 6.657 -18.628 -4.212 1.00 35.13 H new ATOM 0 HD12 ILE A 95 4.968 -18.084 -4.352 1.00 35.13 H new ATOM 0 HD13 ILE A 95 5.409 -19.318 -3.148 1.00 35.13 H new ATOM 1532 N VAL A 96 1.997 -22.932 -4.523 1.00 63.33 N ATOM 1533 CA VAL A 96 0.727 -23.663 -4.579 1.00 11.42 C ATOM 1534 C VAL A 96 0.199 -23.942 -3.169 1.00 1.34 C ATOM 1535 O VAL A 96 -0.968 -23.708 -2.883 1.00 43.44 O ATOM 1536 CB VAL A 96 0.869 -25.013 -5.327 1.00 12.41 C ATOM 1537 CG1 VAL A 96 -0.486 -25.711 -5.461 1.00 21.14 C ATOM 1538 CG2 VAL A 96 1.507 -24.817 -6.695 1.00 53.22 C ATOM 0 H VAL A 96 2.765 -23.389 -5.015 1.00 63.33 H new ATOM 0 HA VAL A 96 0.027 -23.029 -5.123 1.00 11.42 H new ATOM 0 HB VAL A 96 1.525 -25.652 -4.735 1.00 12.41 H new ATOM 0 HG11 VAL A 96 -0.358 -26.656 -5.990 1.00 21.14 H new ATOM 0 HG12 VAL A 96 -0.896 -25.903 -4.469 1.00 21.14 H new ATOM 0 HG13 VAL A 96 -1.170 -25.073 -6.020 1.00 21.14 H new ATOM 0 HG21 VAL A 96 1.594 -25.780 -7.197 1.00 53.22 H new ATOM 0 HG22 VAL A 96 0.886 -24.151 -7.294 1.00 53.22 H new ATOM 0 HG23 VAL A 96 2.498 -24.379 -6.575 1.00 53.22 H new ATOM 1548 N THR A 97 1.075 -24.438 -2.291 1.00 22.34 N ATOM 1549 CA THR A 97 0.705 -24.738 -0.898 1.00 53.44 C ATOM 1550 C THR A 97 0.102 -23.510 -0.198 1.00 10.32 C ATOM 1551 O THR A 97 -0.912 -23.616 0.494 1.00 4.51 O ATOM 1552 CB THR A 97 1.922 -25.238 -0.072 1.00 12.52 C ATOM 1553 OG1 THR A 97 2.466 -26.439 -0.648 1.00 54.21 O ATOM 1554 CG2 THR A 97 1.531 -25.513 1.380 1.00 53.13 C ATOM 0 H THR A 97 2.048 -24.642 -2.517 1.00 22.34 H new ATOM 0 HA THR A 97 -0.042 -25.530 -0.946 1.00 53.44 H new ATOM 0 HB THR A 97 2.674 -24.450 -0.092 1.00 12.52 H new ATOM 0 HG1 THR A 97 2.831 -26.240 -1.535 1.00 54.21 H new ATOM 0 HG21 THR A 97 2.404 -25.861 1.932 1.00 53.13 H new ATOM 0 HG22 THR A 97 1.155 -24.597 1.835 1.00 53.13 H new ATOM 0 HG23 THR A 97 0.754 -26.277 1.409 1.00 53.13 H new ATOM 1562 N LEU A 98 0.728 -22.348 -0.395 1.00 60.24 N ATOM 1563 CA LEU A 98 0.263 -21.093 0.215 1.00 52.52 C ATOM 1564 C LEU A 98 -1.183 -20.763 -0.197 1.00 1.42 C ATOM 1565 O LEU A 98 -2.068 -20.588 0.646 1.00 42.41 O ATOM 1566 CB LEU A 98 1.184 -19.940 -0.212 1.00 11.54 C ATOM 1567 CG LEU A 98 0.859 -18.577 0.422 1.00 24.44 C ATOM 1568 CD1 LEU A 98 1.309 -18.536 1.877 1.00 43.34 C ATOM 1569 CD2 LEU A 98 1.483 -17.435 -0.376 1.00 65.31 C ATOM 0 H LEU A 98 1.562 -22.246 -0.974 1.00 60.24 H new ATOM 0 HA LEU A 98 0.290 -21.219 1.297 1.00 52.52 H new ATOM 0 HB2 LEU A 98 2.211 -20.204 0.039 1.00 11.54 H new ATOM 0 HB3 LEU A 98 1.136 -19.840 -1.296 1.00 11.54 H new ATOM 0 HG LEU A 98 -0.223 -18.446 0.398 1.00 24.44 H new ATOM 0 HD11 LEU A 98 1.069 -17.563 2.305 1.00 43.34 H new ATOM 0 HD12 LEU A 98 0.795 -19.316 2.439 1.00 43.34 H new ATOM 0 HD13 LEU A 98 2.385 -18.700 1.930 1.00 43.34 H new ATOM 0 HD21 LEU A 98 1.236 -16.484 0.096 1.00 65.31 H new ATOM 0 HD22 LEU A 98 2.566 -17.558 -0.401 1.00 65.31 H new ATOM 0 HD23 LEU A 98 1.093 -17.447 -1.394 1.00 65.31 H new ATOM 1581 N ILE A 99 -1.411 -20.697 -1.506 1.00 15.43 N ATOM 1582 CA ILE A 99 -2.727 -20.348 -2.054 1.00 11.14 C ATOM 1583 C ILE A 99 -3.742 -21.484 -1.838 1.00 20.32 C ATOM 1584 O ILE A 99 -4.934 -21.244 -1.641 1.00 22.45 O ATOM 1585 CB ILE A 99 -2.614 -20.013 -3.564 1.00 3.43 C ATOM 1586 CG1 ILE A 99 -1.539 -18.930 -3.783 1.00 43.31 C ATOM 1587 CG2 ILE A 99 -3.961 -19.558 -4.127 1.00 2.13 C ATOM 1588 CD1 ILE A 99 -1.277 -18.601 -5.240 1.00 64.53 C ATOM 0 H ILE A 99 -0.700 -20.881 -2.214 1.00 15.43 H new ATOM 0 HA ILE A 99 -3.086 -19.467 -1.521 1.00 11.14 H new ATOM 0 HB ILE A 99 -2.319 -20.916 -4.098 1.00 3.43 H new ATOM 0 HG12 ILE A 99 -1.845 -18.020 -3.266 1.00 43.31 H new ATOM 0 HG13 ILE A 99 -0.607 -19.260 -3.323 1.00 43.31 H new ATOM 0 HG21 ILE A 99 -3.854 -19.329 -5.187 1.00 2.13 H new ATOM 0 HG22 ILE A 99 -4.696 -20.353 -4.000 1.00 2.13 H new ATOM 0 HG23 ILE A 99 -4.295 -18.667 -3.596 1.00 2.13 H new ATOM 0 HD11 ILE A 99 -0.508 -17.831 -5.307 1.00 64.53 H new ATOM 0 HD12 ILE A 99 -0.939 -19.497 -5.760 1.00 64.53 H new ATOM 0 HD13 ILE A 99 -2.195 -18.238 -5.702 1.00 64.53 H new ATOM 1600 N SER A 100 -3.247 -22.717 -1.863 1.00 74.43 N ATOM 1601 CA SER A 100 -4.071 -23.910 -1.623 1.00 4.31 C ATOM 1602 C SER A 100 -4.679 -23.891 -0.217 1.00 61.21 C ATOM 1603 O SER A 100 -5.889 -24.036 -0.053 1.00 14.31 O ATOM 1604 CB SER A 100 -3.227 -25.181 -1.806 1.00 5.42 C ATOM 1605 OG SER A 100 -3.964 -26.356 -1.513 1.00 41.44 O ATOM 0 H SER A 100 -2.266 -22.924 -2.049 1.00 74.43 H new ATOM 0 HA SER A 100 -4.885 -23.907 -2.348 1.00 4.31 H new ATOM 0 HB2 SER A 100 -2.862 -25.229 -2.832 1.00 5.42 H new ATOM 0 HB3 SER A 100 -2.352 -25.131 -1.158 1.00 5.42 H new ATOM 0 HG SER A 100 -3.451 -26.919 -0.897 1.00 41.44 H new ATOM 1611 N PHE A 101 -3.834 -23.695 0.797 1.00 31.15 N ATOM 1612 CA PHE A 101 -4.305 -23.625 2.183 1.00 23.23 C ATOM 1613 C PHE A 101 -5.229 -22.413 2.387 1.00 45.03 C ATOM 1614 O PHE A 101 -6.206 -22.486 3.133 1.00 34.44 O ATOM 1615 CB PHE A 101 -3.116 -23.570 3.156 1.00 52.11 C ATOM 1616 CG PHE A 101 -3.512 -23.623 4.616 1.00 53.34 C ATOM 1617 CD1 PHE A 101 -4.376 -24.606 5.081 1.00 71.23 C ATOM 1618 CD2 PHE A 101 -3.026 -22.688 5.520 1.00 75.21 C ATOM 1619 CE1 PHE A 101 -4.742 -24.656 6.413 1.00 41.42 C ATOM 1620 CE2 PHE A 101 -3.390 -22.735 6.854 1.00 2.43 C ATOM 1621 CZ PHE A 101 -4.249 -23.720 7.300 1.00 2.25 C ATOM 0 H PHE A 101 -2.826 -23.582 0.687 1.00 31.15 H new ATOM 0 HA PHE A 101 -4.879 -24.527 2.392 1.00 23.23 H new ATOM 0 HB2 PHE A 101 -2.446 -24.402 2.942 1.00 52.11 H new ATOM 0 HB3 PHE A 101 -2.554 -22.654 2.976 1.00 52.11 H new ATOM 0 HD1 PHE A 101 -4.767 -25.341 4.393 1.00 71.23 H new ATOM 0 HD2 PHE A 101 -2.355 -21.914 5.177 1.00 75.21 H new ATOM 0 HE1 PHE A 101 -5.414 -25.427 6.760 1.00 41.42 H new ATOM 0 HE2 PHE A 101 -3.003 -22.002 7.546 1.00 2.43 H new ATOM 0 HZ PHE A 101 -4.535 -23.758 8.341 1.00 2.25 H new ATOM 1631 N GLY A 102 -4.923 -21.305 1.706 1.00 72.01 N ATOM 1632 CA GLY A 102 -5.782 -20.127 1.763 1.00 54.51 C ATOM 1633 C GLY A 102 -7.196 -20.408 1.261 1.00 32.25 C ATOM 1634 O GLY A 102 -8.181 -20.066 1.920 1.00 21.30 O ATOM 0 H GLY A 102 -4.097 -21.202 1.117 1.00 72.01 H new ATOM 0 HA2 GLY A 102 -5.830 -19.766 2.790 1.00 54.51 H new ATOM 0 HA3 GLY A 102 -5.340 -19.330 1.165 1.00 54.51 H new ATOM 1638 N ALA A 103 -7.294 -21.044 0.093 1.00 74.51 N ATOM 1639 CA ALA A 103 -8.590 -21.431 -0.475 1.00 14.31 C ATOM 1640 C ALA A 103 -9.284 -22.494 0.389 1.00 60.43 C ATOM 1641 O ALA A 103 -10.508 -22.486 0.540 1.00 61.52 O ATOM 1642 CB ALA A 103 -8.413 -21.942 -1.901 1.00 43.33 C ATOM 0 H ALA A 103 -6.491 -21.303 -0.480 1.00 74.51 H new ATOM 0 HA ALA A 103 -9.225 -20.545 -0.492 1.00 14.31 H new ATOM 0 HB1 ALA A 103 -9.383 -22.225 -2.309 1.00 43.33 H new ATOM 0 HB2 ALA A 103 -7.975 -21.157 -2.517 1.00 43.33 H new ATOM 0 HB3 ALA A 103 -7.754 -22.810 -1.897 1.00 43.33 H new ATOM 1648 N PHE A 104 -8.494 -23.403 0.957 1.00 61.12 N ATOM 1649 CA PHE A 104 -9.021 -24.435 1.851 1.00 52.40 C ATOM 1650 C PHE A 104 -9.697 -23.812 3.083 1.00 24.14 C ATOM 1651 O PHE A 104 -10.802 -24.206 3.465 1.00 24.13 O ATOM 1652 CB PHE A 104 -7.903 -25.390 2.287 1.00 74.11 C ATOM 1653 CG PHE A 104 -8.376 -26.484 3.214 1.00 51.45 C ATOM 1654 CD1 PHE A 104 -9.193 -27.503 2.743 1.00 31.12 C ATOM 1655 CD2 PHE A 104 -8.011 -26.491 4.554 1.00 40.42 C ATOM 1656 CE1 PHE A 104 -9.632 -28.503 3.587 1.00 22.42 C ATOM 1657 CE2 PHE A 104 -8.449 -27.492 5.400 1.00 53.11 C ATOM 1658 CZ PHE A 104 -9.260 -28.498 4.916 1.00 72.34 C ATOM 0 H PHE A 104 -7.485 -23.447 0.814 1.00 61.12 H new ATOM 0 HA PHE A 104 -9.773 -25.000 1.301 1.00 52.40 H new ATOM 0 HB2 PHE A 104 -7.456 -25.842 1.402 1.00 74.11 H new ATOM 0 HB3 PHE A 104 -7.119 -24.817 2.783 1.00 74.11 H new ATOM 0 HD1 PHE A 104 -9.488 -27.513 1.704 1.00 31.12 H new ATOM 0 HD2 PHE A 104 -7.378 -25.705 4.939 1.00 40.42 H new ATOM 0 HE1 PHE A 104 -10.267 -29.290 3.207 1.00 22.42 H new ATOM 0 HE2 PHE A 104 -8.157 -27.487 6.440 1.00 53.11 H new ATOM 0 HZ PHE A 104 -9.603 -29.281 5.576 1.00 72.34 H new ATOM 1668 N VAL A 105 -9.030 -22.840 3.707 1.00 21.32 N ATOM 1669 CA VAL A 105 -9.617 -22.115 4.836 1.00 12.23 C ATOM 1670 C VAL A 105 -10.844 -21.311 4.380 1.00 51.51 C ATOM 1671 O VAL A 105 -11.843 -21.215 5.100 1.00 62.34 O ATOM 1672 CB VAL A 105 -8.592 -21.160 5.505 1.00 31.33 C ATOM 1673 CG1 VAL A 105 -9.220 -20.426 6.690 1.00 73.20 C ATOM 1674 CG2 VAL A 105 -7.344 -21.926 5.943 1.00 74.12 C ATOM 0 H VAL A 105 -8.090 -22.538 3.453 1.00 21.32 H new ATOM 0 HA VAL A 105 -9.920 -22.859 5.572 1.00 12.23 H new ATOM 0 HB VAL A 105 -8.294 -20.415 4.767 1.00 31.33 H new ATOM 0 HG11 VAL A 105 -8.481 -19.764 7.141 1.00 73.20 H new ATOM 0 HG12 VAL A 105 -10.071 -19.839 6.345 1.00 73.20 H new ATOM 0 HG13 VAL A 105 -9.556 -21.152 7.431 1.00 73.20 H new ATOM 0 HG21 VAL A 105 -6.639 -21.237 6.409 1.00 74.12 H new ATOM 0 HG22 VAL A 105 -7.624 -22.699 6.659 1.00 74.12 H new ATOM 0 HG23 VAL A 105 -6.877 -22.389 5.074 1.00 74.12 H new ATOM 1684 N ALA A 106 -10.763 -20.750 3.170 1.00 32.14 N ATOM 1685 CA ALA A 106 -11.883 -20.015 2.570 1.00 3.03 C ATOM 1686 C ALA A 106 -13.153 -20.879 2.504 1.00 4.50 C ATOM 1687 O ALA A 106 -14.258 -20.387 2.740 1.00 43.54 O ATOM 1688 CB ALA A 106 -11.507 -19.513 1.179 1.00 75.25 C ATOM 0 H ALA A 106 -9.930 -20.791 2.583 1.00 32.14 H new ATOM 0 HA ALA A 106 -12.097 -19.158 3.208 1.00 3.03 H new ATOM 0 HB1 ALA A 106 -12.348 -18.970 0.748 1.00 75.25 H new ATOM 0 HB2 ALA A 106 -10.646 -18.849 1.252 1.00 75.25 H new ATOM 0 HB3 ALA A 106 -11.258 -20.361 0.541 1.00 75.25 H new ATOM 1694 N LYS A 107 -12.990 -22.169 2.185 1.00 24.43 N ATOM 1695 CA LYS A 107 -14.111 -23.122 2.207 1.00 72.32 C ATOM 1696 C LYS A 107 -14.782 -23.138 3.590 1.00 15.34 C ATOM 1697 O LYS A 107 -16.007 -23.026 3.712 1.00 40.04 O ATOM 1698 CB LYS A 107 -13.626 -24.546 1.874 1.00 62.35 C ATOM 1699 CG LYS A 107 -12.974 -24.696 0.501 1.00 70.51 C ATOM 1700 CD LYS A 107 -12.596 -26.153 0.221 1.00 43.32 C ATOM 1701 CE LYS A 107 -11.960 -26.326 -1.153 1.00 71.23 C ATOM 1702 NZ LYS A 107 -11.730 -27.756 -1.494 1.00 32.40 N ATOM 0 H LYS A 107 -12.097 -22.577 1.909 1.00 24.43 H new ATOM 0 HA LYS A 107 -14.831 -22.799 1.455 1.00 72.32 H new ATOM 0 HB2 LYS A 107 -12.912 -24.859 2.636 1.00 62.35 H new ATOM 0 HB3 LYS A 107 -14.475 -25.227 1.934 1.00 62.35 H new ATOM 0 HG2 LYS A 107 -13.658 -24.341 -0.270 1.00 70.51 H new ATOM 0 HG3 LYS A 107 -12.083 -24.070 0.449 1.00 70.51 H new ATOM 0 HD2 LYS A 107 -11.903 -26.501 0.987 1.00 43.32 H new ATOM 0 HD3 LYS A 107 -13.487 -26.778 0.289 1.00 43.32 H new ATOM 0 HE2 LYS A 107 -12.603 -25.874 -1.908 1.00 71.23 H new ATOM 0 HE3 LYS A 107 -11.011 -25.791 -1.181 1.00 71.23 H new ATOM 0 HZ1 LYS A 107 -10.978 -27.826 -2.209 1.00 32.40 H new ATOM 0 HZ2 LYS A 107 -11.444 -28.275 -0.639 1.00 32.40 H new ATOM 0 HZ3 LYS A 107 -12.607 -28.168 -1.872 1.00 32.40 H new ATOM 1716 N HIS A 108 -13.959 -23.265 4.631 1.00 22.34 N ATOM 1717 CA HIS A 108 -14.449 -23.315 6.011 1.00 12.43 C ATOM 1718 C HIS A 108 -15.143 -21.998 6.398 1.00 63.43 C ATOM 1719 O HIS A 108 -16.192 -22.008 7.036 1.00 52.30 O ATOM 1720 CB HIS A 108 -13.287 -23.616 6.972 1.00 70.22 C ATOM 1721 CG HIS A 108 -13.711 -23.872 8.390 1.00 63.11 C ATOM 1722 ND1 HIS A 108 -14.128 -25.106 8.837 1.00 51.40 N ATOM 1723 CD2 HIS A 108 -13.770 -23.050 9.466 1.00 21.43 C ATOM 1724 CE1 HIS A 108 -14.427 -25.034 10.116 1.00 73.33 C ATOM 1725 NE2 HIS A 108 -14.218 -23.800 10.525 1.00 52.02 N ATOM 0 H HIS A 108 -12.945 -23.336 4.545 1.00 22.34 H new ATOM 0 HA HIS A 108 -15.185 -24.115 6.086 1.00 12.43 H new ATOM 0 HB2 HIS A 108 -12.743 -24.486 6.605 1.00 70.22 H new ATOM 0 HB3 HIS A 108 -12.592 -22.776 6.958 1.00 70.22 H new ATOM 0 HD2 HIS A 108 -13.513 -22.001 9.486 1.00 21.43 H new ATOM 0 HE1 HIS A 108 -14.784 -25.850 10.728 1.00 73.33 H new ATOM 0 HE2 HIS A 108 -14.365 -23.457 11.474 1.00 52.02 H new ATOM 1734 N LEU A 109 -14.553 -20.870 5.996 1.00 5.11 N ATOM 1735 CA LEU A 109 -15.121 -19.542 6.281 1.00 72.33 C ATOM 1736 C LEU A 109 -16.486 -19.360 5.608 1.00 51.43 C ATOM 1737 O LEU A 109 -17.462 -18.964 6.247 1.00 72.31 O ATOM 1738 CB LEU A 109 -14.167 -18.444 5.791 1.00 0.24 C ATOM 1739 CG LEU A 109 -12.769 -18.457 6.423 1.00 75.51 C ATOM 1740 CD1 LEU A 109 -11.882 -17.391 5.789 1.00 12.44 C ATOM 1741 CD2 LEU A 109 -12.859 -18.261 7.932 1.00 32.52 C ATOM 0 H LEU A 109 -13.679 -20.846 5.470 1.00 5.11 H new ATOM 0 HA LEU A 109 -15.253 -19.465 7.360 1.00 72.33 H new ATOM 0 HB2 LEU A 109 -14.059 -18.535 4.710 1.00 0.24 H new ATOM 0 HB3 LEU A 109 -14.626 -17.474 5.985 1.00 0.24 H new ATOM 0 HG LEU A 109 -12.317 -19.431 6.234 1.00 75.51 H new ATOM 0 HD11 LEU A 109 -10.895 -17.417 6.251 1.00 12.44 H new ATOM 0 HD12 LEU A 109 -11.787 -17.585 4.721 1.00 12.44 H new ATOM 0 HD13 LEU A 109 -12.328 -16.408 5.941 1.00 12.44 H new ATOM 0 HD21 LEU A 109 -11.857 -18.273 8.361 1.00 32.52 H new ATOM 0 HD22 LEU A 109 -13.334 -17.304 8.147 1.00 32.52 H new ATOM 0 HD23 LEU A 109 -13.451 -19.066 8.369 1.00 32.52 H new ATOM 1753 N LYS A 110 -16.536 -19.666 4.315 1.00 71.42 N ATOM 1754 CA LYS A 110 -17.763 -19.550 3.518 1.00 14.21 C ATOM 1755 C LYS A 110 -18.875 -20.444 4.100 1.00 0.01 C ATOM 1756 O LYS A 110 -20.063 -20.135 3.999 1.00 75.53 O ATOM 1757 CB LYS A 110 -17.440 -19.932 2.058 1.00 14.23 C ATOM 1758 CG LYS A 110 -18.467 -19.489 1.011 1.00 33.04 C ATOM 1759 CD LYS A 110 -19.663 -20.434 0.916 1.00 14.13 C ATOM 1760 CE LYS A 110 -20.540 -20.115 -0.291 1.00 3.30 C ATOM 1761 NZ LYS A 110 -21.152 -18.762 -0.210 1.00 74.01 N ATOM 0 H LYS A 110 -15.731 -20.001 3.786 1.00 71.42 H new ATOM 0 HA LYS A 110 -18.129 -18.524 3.547 1.00 14.21 H new ATOM 0 HB2 LYS A 110 -16.473 -19.503 1.795 1.00 14.23 H new ATOM 0 HB3 LYS A 110 -17.334 -21.015 2.000 1.00 14.23 H new ATOM 0 HG2 LYS A 110 -18.820 -18.487 1.257 1.00 33.04 H new ATOM 0 HG3 LYS A 110 -17.982 -19.426 0.037 1.00 33.04 H new ATOM 0 HD2 LYS A 110 -19.309 -21.463 0.847 1.00 14.13 H new ATOM 0 HD3 LYS A 110 -20.257 -20.362 1.827 1.00 14.13 H new ATOM 0 HE2 LYS A 110 -19.942 -20.186 -1.199 1.00 3.30 H new ATOM 0 HE3 LYS A 110 -21.329 -20.863 -0.370 1.00 3.30 H new ATOM 0 HZ1 LYS A 110 -21.581 -18.520 -1.126 1.00 74.01 H new ATOM 0 HZ2 LYS A 110 -21.885 -18.756 0.528 1.00 74.01 H new ATOM 0 HZ3 LYS A 110 -20.419 -18.063 0.024 1.00 74.01 H new ATOM 1775 N THR A 111 -18.470 -21.552 4.718 1.00 25.33 N ATOM 1776 CA THR A 111 -19.410 -22.478 5.362 1.00 35.23 C ATOM 1777 C THR A 111 -19.904 -21.954 6.725 1.00 4.10 C ATOM 1778 O THR A 111 -21.107 -21.932 6.988 1.00 3.34 O ATOM 1779 CB THR A 111 -18.774 -23.879 5.547 1.00 70.53 C ATOM 1780 OG1 THR A 111 -18.473 -24.452 4.262 1.00 35.45 O ATOM 1781 CG2 THR A 111 -19.701 -24.816 6.316 1.00 42.32 C ATOM 0 H THR A 111 -17.492 -21.834 4.788 1.00 25.33 H new ATOM 0 HA THR A 111 -20.270 -22.556 4.697 1.00 35.23 H new ATOM 0 HB THR A 111 -17.857 -23.756 6.124 1.00 70.53 H new ATOM 0 HG1 THR A 111 -17.632 -24.077 3.925 1.00 35.45 H new ATOM 0 HG21 THR A 111 -19.223 -25.789 6.428 1.00 42.32 H new ATOM 0 HG22 THR A 111 -19.906 -24.397 7.301 1.00 42.32 H new ATOM 0 HG23 THR A 111 -20.637 -24.931 5.769 1.00 42.32 H new ATOM 1789 N ILE A 112 -18.978 -21.514 7.583 1.00 20.22 N ATOM 1790 CA ILE A 112 -19.328 -21.068 8.947 1.00 20.40 C ATOM 1791 C ILE A 112 -19.801 -19.599 8.990 1.00 2.15 C ATOM 1792 O ILE A 112 -19.716 -18.940 10.031 1.00 72.31 O ATOM 1793 CB ILE A 112 -18.135 -21.248 9.927 1.00 61.44 C ATOM 1794 CG1 ILE A 112 -16.945 -20.365 9.512 1.00 45.34 C ATOM 1795 CG2 ILE A 112 -17.720 -22.718 10.002 1.00 73.33 C ATOM 1796 CD1 ILE A 112 -15.784 -20.397 10.490 1.00 52.24 C ATOM 0 H ILE A 112 -17.983 -21.455 7.364 1.00 20.22 H new ATOM 0 HA ILE A 112 -20.157 -21.702 9.262 1.00 20.40 H new ATOM 0 HB ILE A 112 -18.458 -20.932 10.919 1.00 61.44 H new ATOM 0 HG12 ILE A 112 -16.591 -20.686 8.532 1.00 45.34 H new ATOM 0 HG13 ILE A 112 -17.289 -19.336 9.405 1.00 45.34 H new ATOM 0 HG21 ILE A 112 -16.884 -22.825 10.693 1.00 73.33 H new ATOM 0 HG22 ILE A 112 -18.561 -23.316 10.354 1.00 73.33 H new ATOM 0 HG23 ILE A 112 -17.420 -23.062 9.012 1.00 73.33 H new ATOM 0 HD11 ILE A 112 -14.985 -19.750 10.128 1.00 52.24 H new ATOM 0 HD12 ILE A 112 -16.120 -20.046 11.466 1.00 52.24 H new ATOM 0 HD13 ILE A 112 -15.412 -21.418 10.580 1.00 52.24 H new ATOM 1808 N ASN A 113 -20.308 -19.100 7.860 1.00 51.11 N ATOM 1809 CA ASN A 113 -20.857 -17.735 7.763 1.00 42.10 C ATOM 1810 C ASN A 113 -19.796 -16.649 8.042 1.00 61.14 C ATOM 1811 O ASN A 113 -20.128 -15.493 8.300 1.00 25.12 O ATOM 1812 CB ASN A 113 -22.059 -17.571 8.709 1.00 24.40 C ATOM 1813 CG ASN A 113 -23.202 -18.513 8.363 1.00 40.22 C ATOM 1814 OD1 ASN A 113 -24.054 -18.201 7.537 1.00 10.03 O ATOM 1815 ND2 ASN A 113 -23.240 -19.670 8.997 1.00 60.01 N ATOM 0 H ASN A 113 -20.352 -19.625 6.986 1.00 51.11 H new ATOM 0 HA ASN A 113 -21.189 -17.597 6.734 1.00 42.10 H new ATOM 0 HB2 ASN A 113 -21.738 -17.754 9.735 1.00 24.40 H new ATOM 0 HB3 ASN A 113 -22.414 -16.541 8.665 1.00 24.40 H new ATOM 0 HD21 ASN A 113 -23.992 -20.332 8.805 1.00 60.01 H new ATOM 0 HD22 ASN A 113 -22.518 -19.902 9.679 1.00 60.01 H new ATOM 1822 N GLN A 114 -18.520 -17.024 7.956 1.00 61.20 N ATOM 1823 CA GLN A 114 -17.404 -16.079 8.123 1.00 33.21 C ATOM 1824 C GLN A 114 -16.804 -15.711 6.756 1.00 52.42 C ATOM 1825 O GLN A 114 -15.614 -15.411 6.640 1.00 62.51 O ATOM 1826 CB GLN A 114 -16.327 -16.705 9.027 1.00 11.33 C ATOM 1827 CG GLN A 114 -16.777 -16.909 10.470 1.00 11.24 C ATOM 1828 CD GLN A 114 -16.905 -15.605 11.234 1.00 50.43 C ATOM 1829 OE1 GLN A 114 -17.951 -14.965 11.236 1.00 12.34 O ATOM 1830 NE2 GLN A 114 -15.835 -15.202 11.888 1.00 14.33 N ATOM 0 H GLN A 114 -18.227 -17.983 7.770 1.00 61.20 H new ATOM 0 HA GLN A 114 -17.777 -15.168 8.590 1.00 33.21 H new ATOM 0 HB2 GLN A 114 -16.030 -17.667 8.609 1.00 11.33 H new ATOM 0 HB3 GLN A 114 -15.443 -16.067 9.019 1.00 11.33 H new ATOM 0 HG2 GLN A 114 -17.737 -17.425 10.477 1.00 11.24 H new ATOM 0 HG3 GLN A 114 -16.064 -17.556 10.981 1.00 11.24 H new ATOM 0 HE21 GLN A 114 -14.982 -15.761 11.864 1.00 14.33 H new ATOM 0 HE22 GLN A 114 -15.860 -14.331 12.419 1.00 14.33 H new ATOM 1839 N GLU A 115 -17.658 -15.704 5.734 1.00 34.34 N ATOM 1840 CA GLU A 115 -17.234 -15.505 4.342 1.00 44.03 C ATOM 1841 C GLU A 115 -16.474 -14.180 4.144 1.00 23.42 C ATOM 1842 O GLU A 115 -15.560 -14.096 3.322 1.00 43.13 O ATOM 1843 CB GLU A 115 -18.461 -15.551 3.422 1.00 52.20 C ATOM 1844 CG GLU A 115 -18.125 -15.596 1.936 1.00 4.11 C ATOM 1845 CD GLU A 115 -19.364 -15.563 1.057 1.00 51.24 C ATOM 1846 OE1 GLU A 115 -20.073 -16.588 0.976 1.00 24.24 O ATOM 1847 OE2 GLU A 115 -19.631 -14.509 0.443 1.00 23.24 O ATOM 0 H GLU A 115 -18.664 -15.836 5.843 1.00 34.34 H new ATOM 0 HA GLU A 115 -16.545 -16.310 4.088 1.00 44.03 H new ATOM 0 HB2 GLU A 115 -19.058 -16.427 3.675 1.00 52.20 H new ATOM 0 HB3 GLU A 115 -19.081 -14.676 3.617 1.00 52.20 H new ATOM 0 HG2 GLU A 115 -17.484 -14.751 1.686 1.00 4.11 H new ATOM 0 HG3 GLU A 115 -17.556 -16.501 1.723 1.00 4.11 H new ATOM 1854 N SER A 116 -16.852 -13.150 4.900 1.00 53.33 N ATOM 1855 CA SER A 116 -16.176 -11.843 4.828 1.00 55.14 C ATOM 1856 C SER A 116 -14.666 -11.966 5.096 1.00 61.40 C ATOM 1857 O SER A 116 -13.862 -11.228 4.529 1.00 51.13 O ATOM 1858 CB SER A 116 -16.794 -10.860 5.834 1.00 41.32 C ATOM 1859 OG SER A 116 -18.169 -10.634 5.559 1.00 1.24 O ATOM 0 H SER A 116 -17.620 -13.189 5.570 1.00 53.33 H new ATOM 0 HA SER A 116 -16.315 -11.465 3.815 1.00 55.14 H new ATOM 0 HB2 SER A 116 -16.683 -11.253 6.844 1.00 41.32 H new ATOM 0 HB3 SER A 116 -16.254 -9.914 5.799 1.00 41.32 H new ATOM 0 HG SER A 116 -18.535 -10.006 6.216 1.00 1.24 H new ATOM 1865 N SER A 117 -14.295 -12.916 5.953 1.00 65.42 N ATOM 1866 CA SER A 117 -12.887 -13.149 6.323 1.00 51.41 C ATOM 1867 C SER A 117 -12.028 -13.563 5.114 1.00 0.14 C ATOM 1868 O SER A 117 -10.817 -13.346 5.102 1.00 22.30 O ATOM 1869 CB SER A 117 -12.792 -14.223 7.417 1.00 44.14 C ATOM 1870 OG SER A 117 -13.532 -13.855 8.573 1.00 23.22 O ATOM 0 H SER A 117 -14.953 -13.546 6.412 1.00 65.42 H new ATOM 0 HA SER A 117 -12.496 -12.204 6.701 1.00 51.41 H new ATOM 0 HB2 SER A 117 -13.166 -15.171 7.031 1.00 44.14 H new ATOM 0 HB3 SER A 117 -11.747 -14.378 7.686 1.00 44.14 H new ATOM 0 HG SER A 117 -13.453 -14.559 9.250 1.00 23.22 H new ATOM 1876 N ILE A 118 -12.656 -14.176 4.108 1.00 22.24 N ATOM 1877 CA ILE A 118 -11.946 -14.659 2.911 1.00 51.15 C ATOM 1878 C ILE A 118 -11.132 -13.551 2.209 1.00 53.31 C ATOM 1879 O ILE A 118 -9.979 -13.765 1.822 1.00 11.13 O ATOM 1880 CB ILE A 118 -12.938 -15.280 1.889 1.00 20.22 C ATOM 1881 CG1 ILE A 118 -13.671 -16.481 2.514 1.00 32.14 C ATOM 1882 CG2 ILE A 118 -12.217 -15.699 0.606 1.00 51.21 C ATOM 1883 CD1 ILE A 118 -14.688 -17.129 1.593 1.00 14.51 C ATOM 0 H ILE A 118 -13.661 -14.353 4.095 1.00 22.24 H new ATOM 0 HA ILE A 118 -11.248 -15.419 3.264 1.00 51.15 H new ATOM 0 HB ILE A 118 -13.674 -14.520 1.627 1.00 20.22 H new ATOM 0 HG12 ILE A 118 -12.935 -17.229 2.810 1.00 32.14 H new ATOM 0 HG13 ILE A 118 -14.176 -16.153 3.423 1.00 32.14 H new ATOM 0 HG21 ILE A 118 -12.936 -16.130 -0.091 1.00 51.21 H new ATOM 0 HG22 ILE A 118 -11.748 -14.827 0.151 1.00 51.21 H new ATOM 0 HG23 ILE A 118 -11.453 -16.439 0.843 1.00 51.21 H new ATOM 0 HD11 ILE A 118 -15.161 -17.967 2.105 1.00 14.51 H new ATOM 0 HD12 ILE A 118 -15.447 -16.397 1.317 1.00 14.51 H new ATOM 0 HD13 ILE A 118 -14.187 -17.490 0.694 1.00 14.51 H new ATOM 1895 N GLU A 119 -11.725 -12.368 2.054 1.00 63.50 N ATOM 1896 CA GLU A 119 -11.076 -11.275 1.315 1.00 31.14 C ATOM 1897 C GLU A 119 -9.775 -10.786 2.000 1.00 24.40 C ATOM 1898 O GLU A 119 -8.725 -10.750 1.354 1.00 50.15 O ATOM 1899 CB GLU A 119 -12.062 -10.117 1.093 1.00 14.32 C ATOM 1900 CG GLU A 119 -13.296 -10.517 0.289 1.00 60.41 C ATOM 1901 CD GLU A 119 -14.262 -9.365 0.080 1.00 35.41 C ATOM 1902 OE1 GLU A 119 -14.999 -9.022 1.027 1.00 14.25 O ATOM 1903 OE2 GLU A 119 -14.297 -8.797 -1.032 1.00 52.40 O ATOM 0 H GLU A 119 -12.647 -12.138 2.425 1.00 63.50 H new ATOM 0 HA GLU A 119 -10.781 -11.670 0.343 1.00 31.14 H new ATOM 0 HB2 GLU A 119 -12.378 -9.729 2.061 1.00 14.32 H new ATOM 0 HB3 GLU A 119 -11.548 -9.306 0.577 1.00 14.32 H new ATOM 0 HG2 GLU A 119 -12.982 -10.902 -0.681 1.00 60.41 H new ATOM 0 HG3 GLU A 119 -13.811 -11.328 0.803 1.00 60.41 H new ATOM 1910 N PRO A 120 -9.801 -10.407 3.306 1.00 71.04 N ATOM 1911 CA PRO A 120 -8.571 -10.041 4.035 1.00 2.15 C ATOM 1912 C PRO A 120 -7.588 -11.222 4.152 1.00 43.33 C ATOM 1913 O PRO A 120 -6.374 -11.025 4.229 1.00 32.50 O ATOM 1914 CB PRO A 120 -9.077 -9.597 5.420 1.00 34.13 C ATOM 1915 CG PRO A 120 -10.428 -10.216 5.554 1.00 14.31 C ATOM 1916 CD PRO A 120 -10.998 -10.275 4.161 1.00 73.35 C ATOM 0 HA PRO A 120 -8.009 -9.263 3.519 1.00 2.15 H new ATOM 0 HB2 PRO A 120 -8.408 -9.935 6.212 1.00 34.13 H new ATOM 0 HB3 PRO A 120 -9.132 -8.511 5.491 1.00 34.13 H new ATOM 0 HG2 PRO A 120 -10.359 -11.213 5.990 1.00 14.31 H new ATOM 0 HG3 PRO A 120 -11.065 -9.624 6.211 1.00 14.31 H new ATOM 0 HD2 PRO A 120 -11.674 -11.121 4.039 1.00 73.35 H new ATOM 0 HD3 PRO A 120 -11.566 -9.376 3.921 1.00 73.35 H new ATOM 1924 N LEU A 121 -8.114 -12.450 4.152 1.00 72.23 N ATOM 1925 CA LEU A 121 -7.267 -13.650 4.158 1.00 53.11 C ATOM 1926 C LEU A 121 -6.401 -13.689 2.887 1.00 3.31 C ATOM 1927 O LEU A 121 -5.214 -14.022 2.937 1.00 40.02 O ATOM 1928 CB LEU A 121 -8.139 -14.918 4.279 1.00 11.43 C ATOM 1929 CG LEU A 121 -7.402 -16.229 4.642 1.00 32.15 C ATOM 1930 CD1 LEU A 121 -8.376 -17.243 5.235 1.00 53.42 C ATOM 1931 CD2 LEU A 121 -6.702 -16.839 3.426 1.00 24.44 C ATOM 0 H LEU A 121 -9.116 -12.641 4.148 1.00 72.23 H new ATOM 0 HA LEU A 121 -6.603 -13.616 5.021 1.00 53.11 H new ATOM 0 HB2 LEU A 121 -8.904 -14.736 5.034 1.00 11.43 H new ATOM 0 HB3 LEU A 121 -8.656 -15.068 3.331 1.00 11.43 H new ATOM 0 HG LEU A 121 -6.642 -15.979 5.383 1.00 32.15 H new ATOM 0 HD11 LEU A 121 -7.841 -18.159 5.484 1.00 53.42 H new ATOM 0 HD12 LEU A 121 -8.827 -16.830 6.137 1.00 53.42 H new ATOM 0 HD13 LEU A 121 -9.157 -17.466 4.508 1.00 53.42 H new ATOM 0 HD21 LEU A 121 -6.196 -17.758 3.721 1.00 24.44 H new ATOM 0 HD22 LEU A 121 -7.440 -17.062 2.655 1.00 24.44 H new ATOM 0 HD23 LEU A 121 -5.971 -16.132 3.034 1.00 24.44 H new ATOM 1943 N ALA A 122 -7.000 -13.321 1.754 1.00 24.20 N ATOM 1944 CA ALA A 122 -6.267 -13.210 0.488 1.00 12.41 C ATOM 1945 C ALA A 122 -5.143 -12.165 0.585 1.00 51.33 C ATOM 1946 O ALA A 122 -4.083 -12.312 -0.036 1.00 3.35 O ATOM 1947 CB ALA A 122 -7.220 -12.858 -0.648 1.00 75.13 C ATOM 0 H ALA A 122 -7.992 -13.094 1.685 1.00 24.20 H new ATOM 0 HA ALA A 122 -5.810 -14.177 0.279 1.00 12.41 H new ATOM 0 HB1 ALA A 122 -6.661 -12.779 -1.581 1.00 75.13 H new ATOM 0 HB2 ALA A 122 -7.976 -13.637 -0.743 1.00 75.13 H new ATOM 0 HB3 ALA A 122 -7.705 -11.906 -0.434 1.00 75.13 H new ATOM 1953 N GLU A 123 -5.383 -11.107 1.364 1.00 15.53 N ATOM 1954 CA GLU A 123 -4.356 -10.094 1.635 1.00 1.34 C ATOM 1955 C GLU A 123 -3.193 -10.694 2.437 1.00 43.30 C ATOM 1956 O GLU A 123 -2.032 -10.415 2.154 1.00 0.15 O ATOM 1957 CB GLU A 123 -4.949 -8.893 2.389 1.00 5.15 C ATOM 1958 CG GLU A 123 -6.007 -8.127 1.601 1.00 60.34 C ATOM 1959 CD GLU A 123 -6.539 -6.917 2.353 1.00 5.01 C ATOM 1960 OE1 GLU A 123 -5.780 -5.942 2.530 1.00 53.12 O ATOM 1961 OE2 GLU A 123 -7.714 -6.938 2.777 1.00 63.12 O ATOM 0 H GLU A 123 -6.278 -10.928 1.819 1.00 15.53 H new ATOM 0 HA GLU A 123 -3.976 -9.746 0.674 1.00 1.34 H new ATOM 0 HB2 GLU A 123 -5.389 -9.244 3.322 1.00 5.15 H new ATOM 0 HB3 GLU A 123 -4.143 -8.209 2.654 1.00 5.15 H new ATOM 0 HG2 GLU A 123 -5.582 -7.801 0.652 1.00 60.34 H new ATOM 0 HG3 GLU A 123 -6.835 -8.796 1.367 1.00 60.34 H new ATOM 1968 N SER A 124 -3.512 -11.520 3.437 1.00 24.32 N ATOM 1969 CA SER A 124 -2.482 -12.239 4.209 1.00 11.14 C ATOM 1970 C SER A 124 -1.627 -13.132 3.300 1.00 22.54 C ATOM 1971 O SER A 124 -0.400 -13.155 3.407 1.00 33.32 O ATOM 1972 CB SER A 124 -3.116 -13.099 5.314 1.00 23.34 C ATOM 1973 OG SER A 124 -3.703 -12.299 6.327 1.00 32.34 O ATOM 0 H SER A 124 -4.469 -11.710 3.734 1.00 24.32 H new ATOM 0 HA SER A 124 -1.843 -11.484 4.667 1.00 11.14 H new ATOM 0 HB2 SER A 124 -3.874 -13.750 4.879 1.00 23.34 H new ATOM 0 HB3 SER A 124 -2.356 -13.745 5.754 1.00 23.34 H new ATOM 0 HG SER A 124 -3.100 -12.254 7.099 1.00 32.34 H new ATOM 1979 N ILE A 125 -2.289 -13.869 2.408 1.00 33.43 N ATOM 1980 CA ILE A 125 -1.599 -14.722 1.432 1.00 65.21 C ATOM 1981 C ILE A 125 -0.624 -13.901 0.571 1.00 21.03 C ATOM 1982 O ILE A 125 0.564 -14.218 0.472 1.00 3.20 O ATOM 1983 CB ILE A 125 -2.615 -15.436 0.499 1.00 15.25 C ATOM 1984 CG1 ILE A 125 -3.617 -16.267 1.315 1.00 51.13 C ATOM 1985 CG2 ILE A 125 -1.890 -16.320 -0.517 1.00 44.14 C ATOM 1986 CD1 ILE A 125 -2.988 -17.410 2.085 1.00 41.23 C ATOM 0 H ILE A 125 -3.306 -13.894 2.339 1.00 33.43 H new ATOM 0 HA ILE A 125 -1.040 -15.468 1.997 1.00 65.21 H new ATOM 0 HB ILE A 125 -3.168 -14.670 -0.044 1.00 15.25 H new ATOM 0 HG12 ILE A 125 -4.132 -15.610 2.016 1.00 51.13 H new ATOM 0 HG13 ILE A 125 -4.373 -16.669 0.641 1.00 51.13 H new ATOM 0 HG21 ILE A 125 -2.621 -16.810 -1.160 1.00 44.14 H new ATOM 0 HG22 ILE A 125 -1.226 -15.706 -1.125 1.00 44.14 H new ATOM 0 HG23 ILE A 125 -1.306 -17.075 0.009 1.00 44.14 H new ATOM 0 HD11 ILE A 125 -3.761 -17.947 2.635 1.00 41.23 H new ATOM 0 HD12 ILE A 125 -2.497 -18.091 1.389 1.00 41.23 H new ATOM 0 HD13 ILE A 125 -2.252 -17.015 2.786 1.00 41.23 H new ATOM 1998 N THR A 126 -1.142 -12.834 -0.033 1.00 11.45 N ATOM 1999 CA THR A 126 -0.345 -11.967 -0.912 1.00 44.31 C ATOM 2000 C THR A 126 0.765 -11.233 -0.141 1.00 43.23 C ATOM 2001 O THR A 126 1.875 -11.071 -0.645 1.00 42.13 O ATOM 2002 CB THR A 126 -1.238 -10.918 -1.622 1.00 61.05 C ATOM 2003 OG1 THR A 126 -2.318 -11.571 -2.304 1.00 50.21 O ATOM 2004 CG2 THR A 126 -0.437 -10.092 -2.625 1.00 2.31 C ATOM 0 H THR A 126 -2.115 -12.544 0.068 1.00 11.45 H new ATOM 0 HA THR A 126 0.114 -12.620 -1.654 1.00 44.31 H new ATOM 0 HB THR A 126 -1.632 -10.248 -0.858 1.00 61.05 H new ATOM 0 HG1 THR A 126 -2.983 -11.872 -1.650 1.00 50.21 H new ATOM 0 HG21 THR A 126 -1.093 -9.366 -3.105 1.00 2.31 H new ATOM 0 HG22 THR A 126 0.366 -9.568 -2.106 1.00 2.31 H new ATOM 0 HG23 THR A 126 -0.011 -10.751 -3.381 1.00 2.31 H new ATOM 2012 N ASP A 127 0.460 -10.797 1.083 1.00 32.04 N ATOM 2013 CA ASP A 127 1.434 -10.083 1.917 1.00 12.35 C ATOM 2014 C ASP A 127 2.677 -10.943 2.179 1.00 62.12 C ATOM 2015 O ASP A 127 3.798 -10.509 1.939 1.00 54.24 O ATOM 2016 CB ASP A 127 0.795 -9.660 3.247 1.00 5.31 C ATOM 2017 CG ASP A 127 1.789 -8.976 4.173 1.00 61.21 C ATOM 2018 OD1 ASP A 127 2.131 -7.806 3.924 1.00 0.22 O ATOM 2019 OD2 ASP A 127 2.244 -9.612 5.147 1.00 22.14 O ATOM 0 H ASP A 127 -0.453 -10.925 1.520 1.00 32.04 H new ATOM 0 HA ASP A 127 1.746 -9.191 1.374 1.00 12.35 H new ATOM 0 HB2 ASP A 127 -0.038 -8.985 3.049 1.00 5.31 H new ATOM 0 HB3 ASP A 127 0.383 -10.538 3.745 1.00 5.31 H new ATOM 2024 N VAL A 128 2.471 -12.172 2.651 1.00 35.24 N ATOM 2025 CA VAL A 128 3.586 -13.093 2.901 1.00 41.34 C ATOM 2026 C VAL A 128 4.315 -13.446 1.595 1.00 71.11 C ATOM 2027 O VAL A 128 5.546 -13.533 1.559 1.00 41.22 O ATOM 2028 CB VAL A 128 3.108 -14.391 3.595 1.00 23.31 C ATOM 2029 CG1 VAL A 128 4.279 -15.345 3.838 1.00 4.12 C ATOM 2030 CG2 VAL A 128 2.393 -14.064 4.906 1.00 15.40 C ATOM 0 H VAL A 128 1.550 -12.554 2.868 1.00 35.24 H new ATOM 0 HA VAL A 128 4.279 -12.579 3.567 1.00 41.34 H new ATOM 0 HB VAL A 128 2.401 -14.891 2.933 1.00 23.31 H new ATOM 0 HG11 VAL A 128 3.916 -16.249 4.327 1.00 4.12 H new ATOM 0 HG12 VAL A 128 4.739 -15.607 2.885 1.00 4.12 H new ATOM 0 HG13 VAL A 128 5.018 -14.859 4.476 1.00 4.12 H new ATOM 0 HG21 VAL A 128 2.063 -14.988 5.381 1.00 15.40 H new ATOM 0 HG22 VAL A 128 3.077 -13.538 5.572 1.00 15.40 H new ATOM 0 HG23 VAL A 128 1.528 -13.433 4.701 1.00 15.40 H new ATOM 2040 N LEU A 129 3.545 -13.637 0.524 1.00 31.41 N ATOM 2041 CA LEU A 129 4.106 -13.908 -0.806 1.00 22.33 C ATOM 2042 C LEU A 129 5.094 -12.799 -1.223 1.00 61.22 C ATOM 2043 O LEU A 129 6.249 -13.065 -1.568 1.00 55.55 O ATOM 2044 CB LEU A 129 2.963 -14.010 -1.829 1.00 30.52 C ATOM 2045 CG LEU A 129 3.374 -14.426 -3.250 1.00 1.14 C ATOM 2046 CD1 LEU A 129 3.977 -15.824 -3.241 1.00 51.14 C ATOM 2047 CD2 LEU A 129 2.179 -14.362 -4.199 1.00 73.00 C ATOM 0 H LEU A 129 2.526 -13.609 0.549 1.00 31.41 H new ATOM 0 HA LEU A 129 4.652 -14.851 -0.772 1.00 22.33 H new ATOM 0 HB2 LEU A 129 2.231 -14.727 -1.458 1.00 30.52 H new ATOM 0 HB3 LEU A 129 2.462 -13.043 -1.884 1.00 30.52 H new ATOM 0 HG LEU A 129 4.129 -13.726 -3.607 1.00 1.14 H new ATOM 0 HD11 LEU A 129 4.263 -16.104 -4.255 1.00 51.14 H new ATOM 0 HD12 LEU A 129 4.858 -15.836 -2.599 1.00 51.14 H new ATOM 0 HD13 LEU A 129 3.242 -16.535 -2.862 1.00 51.14 H new ATOM 0 HD21 LEU A 129 2.492 -14.660 -5.199 1.00 73.00 H new ATOM 0 HD22 LEU A 129 1.398 -15.036 -3.847 1.00 73.00 H new ATOM 0 HD23 LEU A 129 1.792 -13.343 -4.229 1.00 73.00 H new ATOM 2059 N VAL A 130 4.633 -11.555 -1.147 1.00 62.33 N ATOM 2060 CA VAL A 130 5.451 -10.384 -1.486 1.00 40.43 C ATOM 2061 C VAL A 130 6.521 -10.107 -0.410 1.00 35.12 C ATOM 2062 O VAL A 130 7.608 -9.617 -0.710 1.00 50.01 O ATOM 2063 CB VAL A 130 4.551 -9.130 -1.661 1.00 0.11 C ATOM 2064 CG1 VAL A 130 5.380 -7.871 -1.915 1.00 71.31 C ATOM 2065 CG2 VAL A 130 3.544 -9.347 -2.792 1.00 20.34 C ATOM 0 H VAL A 130 3.685 -11.325 -0.850 1.00 62.33 H new ATOM 0 HA VAL A 130 5.961 -10.602 -2.425 1.00 40.43 H new ATOM 0 HB VAL A 130 4.006 -8.982 -0.729 1.00 0.11 H new ATOM 0 HG11 VAL A 130 4.715 -7.015 -2.032 1.00 71.31 H new ATOM 0 HG12 VAL A 130 6.048 -7.699 -1.071 1.00 71.31 H new ATOM 0 HG13 VAL A 130 5.969 -8.000 -2.823 1.00 71.31 H new ATOM 0 HG21 VAL A 130 2.922 -8.459 -2.901 1.00 20.34 H new ATOM 0 HG22 VAL A 130 4.078 -9.532 -3.724 1.00 20.34 H new ATOM 0 HG23 VAL A 130 2.914 -10.205 -2.558 1.00 20.34 H new ATOM 2075 N ARG A 131 6.212 -10.452 0.838 1.00 10.31 N ATOM 2076 CA ARG A 131 7.097 -10.166 1.979 1.00 71.41 C ATOM 2077 C ARG A 131 8.498 -10.781 1.795 1.00 55.25 C ATOM 2078 O ARG A 131 9.491 -10.249 2.293 1.00 44.33 O ATOM 2079 CB ARG A 131 6.468 -10.697 3.284 1.00 33.23 C ATOM 2080 CG ARG A 131 6.693 -9.801 4.501 1.00 53.12 C ATOM 2081 CD ARG A 131 5.879 -8.508 4.412 1.00 24.55 C ATOM 2082 NE ARG A 131 6.110 -7.627 5.557 1.00 74.11 N ATOM 2083 CZ ARG A 131 5.203 -6.840 6.076 1.00 72.45 C ATOM 2084 NH1 ARG A 131 3.988 -6.833 5.623 1.00 44.04 N ATOM 2085 NH2 ARG A 131 5.511 -6.064 7.062 1.00 12.32 N ATOM 0 H ARG A 131 5.350 -10.934 1.092 1.00 10.31 H new ATOM 0 HA ARG A 131 7.212 -9.084 2.035 1.00 71.41 H new ATOM 0 HB2 ARG A 131 5.396 -10.821 3.132 1.00 33.23 H new ATOM 0 HB3 ARG A 131 6.877 -11.685 3.495 1.00 33.23 H new ATOM 0 HG2 ARG A 131 6.418 -10.342 5.407 1.00 53.12 H new ATOM 0 HG3 ARG A 131 7.753 -9.559 4.583 1.00 53.12 H new ATOM 0 HD2 ARG A 131 6.137 -7.981 3.493 1.00 24.55 H new ATOM 0 HD3 ARG A 131 4.818 -8.752 4.352 1.00 24.55 H new ATOM 0 HE ARG A 131 7.039 -7.626 5.978 1.00 74.11 H new ATOM 0 HH11 ARG A 131 3.728 -7.447 4.851 1.00 44.04 H new ATOM 0 HH12 ARG A 131 3.292 -6.213 6.039 1.00 44.04 H new ATOM 0 HH21 ARG A 131 6.460 -6.065 7.435 1.00 12.32 H new ATOM 0 HH22 ARG A 131 4.805 -5.450 7.468 1.00 12.32 H new ATOM 2099 N THR A 132 8.571 -11.907 1.082 1.00 31.05 N ATOM 2100 CA THR A 132 9.844 -12.625 0.894 1.00 72.23 C ATOM 2101 C THR A 132 10.139 -12.977 -0.580 1.00 50.31 C ATOM 2102 O THR A 132 11.304 -13.035 -0.980 1.00 51.23 O ATOM 2103 CB THR A 132 9.903 -13.910 1.767 1.00 44.35 C ATOM 2104 OG1 THR A 132 10.895 -14.826 1.268 1.00 51.21 O ATOM 2105 CG2 THR A 132 8.542 -14.601 1.838 1.00 41.22 C ATOM 0 H THR A 132 7.770 -12.344 0.625 1.00 31.05 H new ATOM 0 HA THR A 132 10.620 -11.932 1.219 1.00 72.23 H new ATOM 0 HB THR A 132 10.183 -13.604 2.775 1.00 44.35 H new ATOM 0 HG1 THR A 132 11.146 -15.455 1.977 1.00 51.21 H new ATOM 0 HG21 THR A 132 8.620 -15.495 2.456 1.00 41.22 H new ATOM 0 HG22 THR A 132 7.811 -13.921 2.275 1.00 41.22 H new ATOM 0 HG23 THR A 132 8.223 -14.881 0.834 1.00 41.22 H new ATOM 2113 N LYS A 133 9.107 -13.211 -1.400 1.00 15.20 N ATOM 2114 CA LYS A 133 9.330 -13.564 -2.822 1.00 23.14 C ATOM 2115 C LYS A 133 8.853 -12.467 -3.798 1.00 73.33 C ATOM 2116 O LYS A 133 8.597 -12.752 -4.970 1.00 34.11 O ATOM 2117 CB LYS A 133 8.651 -14.903 -3.182 1.00 51.41 C ATOM 2118 CG LYS A 133 9.300 -16.138 -2.550 1.00 24.54 C ATOM 2119 CD LYS A 133 8.862 -16.347 -1.104 1.00 64.13 C ATOM 2120 CE LYS A 133 9.573 -17.531 -0.455 1.00 63.54 C ATOM 2121 NZ LYS A 133 11.002 -17.246 -0.160 1.00 15.54 N ATOM 0 H LYS A 133 8.127 -13.166 -1.119 1.00 15.20 H new ATOM 0 HA LYS A 133 10.410 -13.662 -2.935 1.00 23.14 H new ATOM 0 HB2 LYS A 133 7.606 -14.860 -2.874 1.00 51.41 H new ATOM 0 HB3 LYS A 133 8.659 -15.019 -4.266 1.00 51.41 H new ATOM 0 HG2 LYS A 133 9.043 -17.020 -3.136 1.00 24.54 H new ATOM 0 HG3 LYS A 133 10.384 -16.035 -2.587 1.00 24.54 H new ATOM 0 HD2 LYS A 133 9.065 -15.443 -0.530 1.00 64.13 H new ATOM 0 HD3 LYS A 133 7.785 -16.509 -1.072 1.00 64.13 H new ATOM 0 HE2 LYS A 133 9.060 -17.796 0.470 1.00 63.54 H new ATOM 0 HE3 LYS A 133 9.507 -18.396 -1.115 1.00 63.54 H new ATOM 0 HZ1 LYS A 133 11.371 -17.963 0.496 1.00 15.54 H new ATOM 0 HZ2 LYS A 133 11.550 -17.270 -1.043 1.00 15.54 H new ATOM 0 HZ3 LYS A 133 11.086 -16.304 0.274 1.00 15.54 H new ATOM 2135 N ARG A 134 8.775 -11.216 -3.334 1.00 22.04 N ATOM 2136 CA ARG A 134 8.355 -10.092 -4.194 1.00 52.22 C ATOM 2137 C ARG A 134 9.192 -9.999 -5.475 1.00 43.40 C ATOM 2138 O ARG A 134 8.695 -10.183 -6.587 1.00 12.03 O ATOM 2139 CB ARG A 134 8.499 -8.754 -3.456 1.00 52.40 C ATOM 2140 CG ARG A 134 8.176 -7.550 -4.340 1.00 22.21 C ATOM 2141 CD ARG A 134 8.554 -6.224 -3.690 1.00 44.50 C ATOM 2142 NE ARG A 134 9.978 -5.935 -3.848 1.00 42.33 N ATOM 2143 CZ ARG A 134 10.476 -4.731 -3.929 1.00 33.44 C ATOM 2144 NH1 ARG A 134 9.716 -3.690 -3.797 1.00 31.22 N ATOM 2145 NH2 ARG A 134 11.738 -4.571 -4.151 1.00 23.04 N ATOM 0 H ARG A 134 8.995 -10.951 -2.374 1.00 22.04 H new ATOM 0 HA ARG A 134 7.313 -10.285 -4.451 1.00 52.22 H new ATOM 0 HB2 ARG A 134 7.838 -8.750 -2.589 1.00 52.40 H new ATOM 0 HB3 ARG A 134 9.518 -8.660 -3.080 1.00 52.40 H new ATOM 0 HG2 ARG A 134 8.704 -7.649 -5.288 1.00 22.21 H new ATOM 0 HG3 ARG A 134 7.110 -7.547 -4.568 1.00 22.21 H new ATOM 0 HD2 ARG A 134 7.967 -5.420 -4.134 1.00 44.50 H new ATOM 0 HD3 ARG A 134 8.303 -6.253 -2.630 1.00 44.50 H new ATOM 0 HE ARG A 134 10.623 -6.723 -3.898 1.00 42.33 H new ATOM 0 HH11 ARG A 134 8.717 -3.806 -3.628 1.00 31.22 H new ATOM 0 HH12 ARG A 134 10.117 -2.754 -3.862 1.00 31.22 H new ATOM 0 HH21 ARG A 134 12.343 -5.384 -4.263 1.00 23.04 H new ATOM 0 HH22 ARG A 134 12.129 -3.631 -4.215 1.00 23.04 H new ATOM 2159 N ASP A 135 10.470 -9.709 -5.292 1.00 54.50 N ATOM 2160 CA ASP A 135 11.377 -9.446 -6.400 1.00 43.32 C ATOM 2161 C ASP A 135 11.504 -10.674 -7.314 1.00 10.43 C ATOM 2162 O ASP A 135 11.676 -10.548 -8.523 1.00 61.42 O ATOM 2163 CB ASP A 135 12.736 -9.027 -5.841 1.00 52.51 C ATOM 2164 CG ASP A 135 12.628 -7.832 -4.905 1.00 24.24 C ATOM 2165 OD1 ASP A 135 12.176 -8.008 -3.752 1.00 5.32 O ATOM 2166 OD2 ASP A 135 12.983 -6.708 -5.310 1.00 2.22 O ATOM 0 H ASP A 135 10.908 -9.649 -4.373 1.00 54.50 H new ATOM 0 HA ASP A 135 10.977 -8.636 -7.010 1.00 43.32 H new ATOM 0 HB2 ASP A 135 13.182 -9.866 -5.307 1.00 52.51 H new ATOM 0 HB3 ASP A 135 13.406 -8.782 -6.665 1.00 52.51 H new ATOM 2171 N TRP A 136 11.387 -11.860 -6.729 1.00 53.44 N ATOM 2172 CA TRP A 136 11.436 -13.107 -7.496 1.00 41.22 C ATOM 2173 C TRP A 136 10.201 -13.267 -8.396 1.00 5.50 C ATOM 2174 O TRP A 136 10.303 -13.785 -9.510 1.00 20.03 O ATOM 2175 CB TRP A 136 11.588 -14.304 -6.552 1.00 12.23 C ATOM 2176 CG TRP A 136 12.846 -14.231 -5.740 1.00 50.01 C ATOM 2177 CD1 TRP A 136 12.947 -14.101 -4.386 1.00 51.24 C ATOM 2178 CD2 TRP A 136 14.188 -14.253 -6.244 1.00 1.01 C ATOM 2179 NE1 TRP A 136 14.268 -14.051 -4.017 1.00 24.21 N ATOM 2180 CE2 TRP A 136 15.049 -14.141 -5.139 1.00 55.13 C ATOM 2181 CE3 TRP A 136 14.743 -14.362 -7.524 1.00 23.41 C ATOM 2182 CZ2 TRP A 136 16.433 -14.132 -5.272 1.00 12.22 C ATOM 2183 CZ3 TRP A 136 16.118 -14.352 -7.656 1.00 62.55 C ATOM 2184 CH2 TRP A 136 16.950 -14.239 -6.535 1.00 43.14 C ATOM 0 H TRP A 136 11.257 -11.989 -5.725 1.00 53.44 H new ATOM 0 HA TRP A 136 12.307 -13.067 -8.150 1.00 41.22 H new ATOM 0 HB2 TRP A 136 10.728 -14.348 -5.883 1.00 12.23 H new ATOM 0 HB3 TRP A 136 11.587 -15.226 -7.134 1.00 12.23 H new ATOM 0 HD1 TRP A 136 12.111 -14.046 -3.705 1.00 51.24 H new ATOM 0 HE1 TRP A 136 14.613 -13.961 -3.061 1.00 24.21 H new ATOM 0 HE3 TRP A 136 14.108 -14.452 -8.393 1.00 23.41 H new ATOM 0 HZ2 TRP A 136 17.077 -14.044 -4.410 1.00 12.22 H new ATOM 0 HZ3 TRP A 136 16.558 -14.433 -8.639 1.00 62.55 H new ATOM 0 HH2 TRP A 136 18.022 -14.236 -6.670 1.00 43.14 H new ATOM 2195 N LEU A 137 9.042 -12.815 -7.912 1.00 33.23 N ATOM 2196 CA LEU A 137 7.812 -12.814 -8.717 1.00 52.05 C ATOM 2197 C LEU A 137 8.011 -12.071 -10.054 1.00 53.21 C ATOM 2198 O LEU A 137 7.591 -12.550 -11.102 1.00 4.02 O ATOM 2199 CB LEU A 137 6.657 -12.172 -7.928 1.00 52.21 C ATOM 2200 CG LEU A 137 6.032 -13.039 -6.821 1.00 12.43 C ATOM 2201 CD1 LEU A 137 5.116 -12.198 -5.935 1.00 11.51 C ATOM 2202 CD2 LEU A 137 5.258 -14.210 -7.425 1.00 72.24 C ATOM 0 H LEU A 137 8.926 -12.445 -6.969 1.00 33.23 H new ATOM 0 HA LEU A 137 7.563 -13.851 -8.940 1.00 52.05 H new ATOM 0 HB2 LEU A 137 7.021 -11.249 -7.477 1.00 52.21 H new ATOM 0 HB3 LEU A 137 5.872 -11.895 -8.632 1.00 52.21 H new ATOM 0 HG LEU A 137 6.838 -13.439 -6.206 1.00 12.43 H new ATOM 0 HD11 LEU A 137 4.683 -12.828 -5.158 1.00 11.51 H new ATOM 0 HD12 LEU A 137 5.692 -11.396 -5.473 1.00 11.51 H new ATOM 0 HD13 LEU A 137 4.318 -11.769 -6.541 1.00 11.51 H new ATOM 0 HD21 LEU A 137 4.824 -14.810 -6.625 1.00 72.24 H new ATOM 0 HD22 LEU A 137 4.462 -13.829 -8.065 1.00 72.24 H new ATOM 0 HD23 LEU A 137 5.935 -14.827 -8.016 1.00 72.24 H new ATOM 2214 N VAL A 138 8.637 -10.896 -10.018 1.00 30.15 N ATOM 2215 CA VAL A 138 8.910 -10.144 -11.254 1.00 31.41 C ATOM 2216 C VAL A 138 10.135 -10.698 -12.021 1.00 41.23 C ATOM 2217 O VAL A 138 10.091 -10.850 -13.244 1.00 51.12 O ATOM 2218 CB VAL A 138 9.090 -8.623 -10.986 1.00 5.53 C ATOM 2219 CG1 VAL A 138 10.269 -8.353 -10.054 1.00 23.42 C ATOM 2220 CG2 VAL A 138 9.240 -7.859 -12.304 1.00 24.14 C ATOM 0 H VAL A 138 8.963 -10.445 -9.163 1.00 30.15 H new ATOM 0 HA VAL A 138 8.030 -10.278 -11.883 1.00 31.41 H new ATOM 0 HB VAL A 138 8.193 -8.263 -10.483 1.00 5.53 H new ATOM 0 HG11 VAL A 138 10.364 -7.280 -9.889 1.00 23.42 H new ATOM 0 HG12 VAL A 138 10.101 -8.853 -9.100 1.00 23.42 H new ATOM 0 HG13 VAL A 138 11.185 -8.733 -10.506 1.00 23.42 H new ATOM 0 HG21 VAL A 138 9.365 -6.796 -12.096 1.00 24.14 H new ATOM 0 HG22 VAL A 138 10.113 -8.229 -12.842 1.00 24.14 H new ATOM 0 HG23 VAL A 138 8.349 -8.007 -12.914 1.00 24.14 H new ATOM 2230 N LYS A 139 11.220 -11.009 -11.304 1.00 13.12 N ATOM 2231 CA LYS A 139 12.456 -11.514 -11.933 1.00 4.11 C ATOM 2232 C LYS A 139 12.227 -12.837 -12.682 1.00 62.21 C ATOM 2233 O LYS A 139 12.487 -12.943 -13.882 1.00 23.52 O ATOM 2234 CB LYS A 139 13.556 -11.715 -10.876 1.00 62.22 C ATOM 2235 CG LYS A 139 14.104 -10.420 -10.282 1.00 73.13 C ATOM 2236 CD LYS A 139 14.871 -9.597 -11.313 1.00 73.24 C ATOM 2237 CE LYS A 139 15.401 -8.296 -10.718 1.00 51.54 C ATOM 2238 NZ LYS A 139 16.326 -8.531 -9.574 1.00 44.41 N ATOM 0 H LYS A 139 11.272 -10.922 -10.289 1.00 13.12 H new ATOM 0 HA LYS A 139 12.770 -10.763 -12.658 1.00 4.11 H new ATOM 0 HB2 LYS A 139 13.159 -12.331 -10.069 1.00 62.22 H new ATOM 0 HB3 LYS A 139 14.379 -12.270 -11.326 1.00 62.22 H new ATOM 0 HG2 LYS A 139 13.281 -9.827 -9.885 1.00 73.13 H new ATOM 0 HG3 LYS A 139 14.761 -10.655 -9.444 1.00 73.13 H new ATOM 0 HD2 LYS A 139 15.703 -10.185 -11.701 1.00 73.24 H new ATOM 0 HD3 LYS A 139 14.219 -9.372 -12.157 1.00 73.24 H new ATOM 0 HE2 LYS A 139 15.920 -7.731 -11.492 1.00 51.54 H new ATOM 0 HE3 LYS A 139 14.563 -7.684 -10.385 1.00 51.54 H new ATOM 0 HZ1 LYS A 139 16.815 -7.645 -9.335 1.00 44.41 H new ATOM 0 HZ2 LYS A 139 15.783 -8.860 -8.750 1.00 44.41 H new ATOM 0 HZ3 LYS A 139 17.027 -9.253 -9.837 1.00 44.41 H new ATOM 2252 N GLN A 140 11.744 -13.847 -11.967 1.00 14.12 N ATOM 2253 CA GLN A 140 11.532 -15.174 -12.558 1.00 71.44 C ATOM 2254 C GLN A 140 10.151 -15.287 -13.200 1.00 31.43 C ATOM 2255 O GLN A 140 9.794 -16.337 -13.738 1.00 21.41 O ATOM 2256 CB GLN A 140 11.698 -16.271 -11.493 1.00 4.41 C ATOM 2257 CG GLN A 140 13.022 -16.217 -10.735 1.00 71.12 C ATOM 2258 CD GLN A 140 14.236 -16.391 -11.635 1.00 40.50 C ATOM 2259 OE1 GLN A 140 14.701 -17.503 -11.859 1.00 31.52 O ATOM 2260 NE2 GLN A 140 14.760 -15.298 -12.155 1.00 24.42 N ATOM 0 H GLN A 140 11.491 -13.778 -10.981 1.00 14.12 H new ATOM 0 HA GLN A 140 12.284 -15.308 -13.336 1.00 71.44 H new ATOM 0 HB2 GLN A 140 10.880 -16.193 -10.777 1.00 4.41 H new ATOM 0 HB3 GLN A 140 11.608 -17.245 -11.974 1.00 4.41 H new ATOM 0 HG2 GLN A 140 13.097 -15.262 -10.216 1.00 71.12 H new ATOM 0 HG3 GLN A 140 13.029 -16.996 -9.972 1.00 71.12 H new ATOM 0 HE21 GLN A 140 14.349 -14.387 -11.949 1.00 24.42 H new ATOM 0 HE22 GLN A 140 15.576 -15.363 -12.763 1.00 24.42 H new ATOM 2269 N ARG A 141 9.388 -14.196 -13.155 1.00 32.12 N ATOM 2270 CA ARG A 141 8.033 -14.172 -13.701 1.00 62.35 C ATOM 2271 C ARG A 141 7.164 -15.242 -13.029 1.00 41.24 C ATOM 2272 O ARG A 141 6.677 -16.160 -13.681 1.00 53.24 O ATOM 2273 CB ARG A 141 8.075 -14.376 -15.220 1.00 72.14 C ATOM 2274 CG ARG A 141 8.979 -13.381 -15.939 1.00 32.43 C ATOM 2275 CD ARG A 141 9.014 -13.632 -17.445 1.00 21.20 C ATOM 2276 NE ARG A 141 7.679 -13.769 -18.032 1.00 43.20 N ATOM 2277 CZ ARG A 141 7.447 -14.344 -19.184 1.00 62.32 C ATOM 2278 NH1 ARG A 141 8.427 -14.801 -19.901 1.00 0.43 N ATOM 2279 NH2 ARG A 141 6.233 -14.459 -19.622 1.00 14.44 N ATOM 0 H ARG A 141 9.688 -13.312 -12.743 1.00 32.12 H new ATOM 0 HA ARG A 141 7.587 -13.199 -13.496 1.00 62.35 H new ATOM 0 HB2 ARG A 141 8.418 -15.388 -15.434 1.00 72.14 H new ATOM 0 HB3 ARG A 141 7.064 -14.291 -15.619 1.00 72.14 H new ATOM 0 HG2 ARG A 141 8.628 -12.367 -15.748 1.00 32.43 H new ATOM 0 HG3 ARG A 141 9.989 -13.450 -15.535 1.00 32.43 H new ATOM 0 HD2 ARG A 141 9.537 -12.810 -17.933 1.00 21.20 H new ATOM 0 HD3 ARG A 141 9.587 -14.537 -17.644 1.00 21.20 H new ATOM 0 HE ARG A 141 6.885 -13.395 -17.513 1.00 43.20 H new ATOM 0 HH11 ARG A 141 9.387 -14.713 -19.568 1.00 0.43 H new ATOM 0 HH12 ARG A 141 8.237 -15.248 -20.798 1.00 0.43 H new ATOM 0 HH21 ARG A 141 5.455 -14.101 -19.068 1.00 14.44 H new ATOM 0 HH22 ARG A 141 6.055 -14.908 -20.521 1.00 14.44 H new ATOM 2293 N GLY A 142 6.985 -15.100 -11.717 1.00 41.43 N ATOM 2294 CA GLY A 142 6.287 -16.096 -10.912 1.00 12.23 C ATOM 2295 C GLY A 142 5.025 -16.648 -11.555 1.00 41.11 C ATOM 2296 O GLY A 142 4.878 -17.855 -11.689 1.00 74.15 O ATOM 0 H GLY A 142 7.318 -14.295 -11.186 1.00 41.43 H new ATOM 0 HA2 GLY A 142 6.968 -16.922 -10.707 1.00 12.23 H new ATOM 0 HA3 GLY A 142 6.027 -15.652 -9.951 1.00 12.23 H new ATOM 2300 N TRP A 143 4.128 -15.766 -11.978 1.00 54.30 N ATOM 2301 CA TRP A 143 2.837 -16.188 -12.538 1.00 22.32 C ATOM 2302 C TRP A 143 2.980 -16.814 -13.941 1.00 14.22 C ATOM 2303 O TRP A 143 2.100 -17.549 -14.391 1.00 31.15 O ATOM 2304 CB TRP A 143 1.865 -15.001 -12.561 1.00 74.00 C ATOM 2305 CG TRP A 143 1.644 -14.400 -11.197 1.00 53.45 C ATOM 2306 CD1 TRP A 143 1.838 -13.097 -10.824 1.00 11.41 C ATOM 2307 CD2 TRP A 143 1.209 -15.093 -10.016 1.00 1.35 C ATOM 2308 NE1 TRP A 143 1.541 -12.940 -9.490 1.00 44.14 N ATOM 2309 CE2 TRP A 143 1.158 -14.150 -8.973 1.00 31.32 C ATOM 2310 CE3 TRP A 143 0.858 -16.421 -9.740 1.00 11.21 C ATOM 2311 CZ2 TRP A 143 0.767 -14.489 -7.681 1.00 55.21 C ATOM 2312 CZ3 TRP A 143 0.473 -16.756 -8.455 1.00 40.50 C ATOM 2313 CH2 TRP A 143 0.433 -15.792 -7.438 1.00 53.14 C ATOM 0 H TRP A 143 4.264 -14.756 -11.947 1.00 54.30 H new ATOM 0 HA TRP A 143 2.435 -16.968 -11.891 1.00 22.32 H new ATOM 0 HB2 TRP A 143 2.251 -14.234 -13.233 1.00 74.00 H new ATOM 0 HB3 TRP A 143 0.908 -15.329 -12.968 1.00 74.00 H new ATOM 0 HD1 TRP A 143 2.175 -12.308 -11.481 1.00 11.41 H new ATOM 0 HE1 TRP A 143 1.597 -12.064 -8.970 1.00 44.14 H new ATOM 0 HE3 TRP A 143 0.888 -17.170 -10.517 1.00 11.21 H new ATOM 0 HZ2 TRP A 143 0.729 -13.747 -6.897 1.00 55.21 H new ATOM 0 HZ3 TRP A 143 0.199 -17.776 -8.231 1.00 40.50 H new ATOM 0 HH2 TRP A 143 0.132 -16.085 -6.443 1.00 53.14 H new ATOM 2324 N ASP A 144 4.083 -16.517 -14.630 1.00 43.42 N ATOM 2325 CA ASP A 144 4.382 -17.143 -15.928 1.00 23.45 C ATOM 2326 C ASP A 144 5.087 -18.501 -15.728 1.00 71.34 C ATOM 2327 O ASP A 144 4.603 -19.544 -16.180 1.00 43.01 O ATOM 2328 CB ASP A 144 5.265 -16.219 -16.776 1.00 20.02 C ATOM 2329 CG ASP A 144 4.660 -14.839 -16.967 1.00 62.41 C ATOM 2330 OD1 ASP A 144 4.871 -13.966 -16.099 1.00 34.44 O ATOM 2331 OD2 ASP A 144 3.990 -14.609 -17.999 1.00 35.04 O ATOM 0 H ASP A 144 4.786 -15.848 -14.315 1.00 43.42 H new ATOM 0 HA ASP A 144 3.440 -17.311 -16.449 1.00 23.45 H new ATOM 0 HB2 ASP A 144 6.241 -16.120 -16.301 1.00 20.02 H new ATOM 0 HB3 ASP A 144 5.430 -16.676 -17.751 1.00 20.02 H new ATOM 2336 N GLY A 145 6.233 -18.470 -15.042 1.00 35.32 N ATOM 2337 CA GLY A 145 6.989 -19.684 -14.738 1.00 30.12 C ATOM 2338 C GLY A 145 6.173 -20.722 -13.975 1.00 2.30 C ATOM 2339 O GLY A 145 6.380 -21.925 -14.127 1.00 61.30 O ATOM 0 H GLY A 145 6.657 -17.613 -14.686 1.00 35.32 H new ATOM 0 HA2 GLY A 145 7.347 -20.124 -15.669 1.00 30.12 H new ATOM 0 HA3 GLY A 145 7.869 -19.420 -14.151 1.00 30.12 H new ATOM 2343 N PHE A 146 5.250 -20.246 -13.148 1.00 30.41 N ATOM 2344 CA PHE A 146 4.306 -21.112 -12.430 1.00 51.23 C ATOM 2345 C PHE A 146 3.534 -22.019 -13.404 1.00 21.21 C ATOM 2346 O PHE A 146 3.295 -23.196 -13.130 1.00 41.42 O ATOM 2347 CB PHE A 146 3.333 -20.225 -11.641 1.00 63.35 C ATOM 2348 CG PHE A 146 2.290 -20.963 -10.848 1.00 61.35 C ATOM 2349 CD1 PHE A 146 2.641 -21.680 -9.716 1.00 2.10 C ATOM 2350 CD2 PHE A 146 0.955 -20.923 -11.227 1.00 10.15 C ATOM 2351 CE1 PHE A 146 1.682 -22.343 -8.980 1.00 13.55 C ATOM 2352 CE2 PHE A 146 -0.007 -21.582 -10.490 1.00 1.12 C ATOM 2353 CZ PHE A 146 0.356 -22.294 -9.365 1.00 44.22 C ATOM 0 H PHE A 146 5.130 -19.252 -12.952 1.00 30.41 H new ATOM 0 HA PHE A 146 4.858 -21.760 -11.749 1.00 51.23 H new ATOM 0 HB2 PHE A 146 3.909 -19.599 -10.959 1.00 63.35 H new ATOM 0 HB3 PHE A 146 2.829 -19.556 -12.339 1.00 63.35 H new ATOM 0 HD1 PHE A 146 3.675 -21.720 -9.407 1.00 2.10 H new ATOM 0 HD2 PHE A 146 0.666 -20.370 -12.109 1.00 10.15 H new ATOM 0 HE1 PHE A 146 1.968 -22.902 -8.101 1.00 13.55 H new ATOM 0 HE2 PHE A 146 -1.043 -21.541 -10.793 1.00 1.12 H new ATOM 0 HZ PHE A 146 -0.395 -22.812 -8.787 1.00 44.22 H new ATOM 2363 N VAL A 147 3.166 -21.454 -14.550 1.00 22.41 N ATOM 2364 CA VAL A 147 2.389 -22.165 -15.567 1.00 34.41 C ATOM 2365 C VAL A 147 3.235 -23.211 -16.324 1.00 34.43 C ATOM 2366 O VAL A 147 2.780 -24.336 -16.558 1.00 33.53 O ATOM 2367 CB VAL A 147 1.755 -21.152 -16.559 1.00 13.13 C ATOM 2368 CG1 VAL A 147 1.013 -21.855 -17.697 1.00 74.00 C ATOM 2369 CG2 VAL A 147 0.819 -20.209 -15.807 1.00 25.22 C ATOM 0 H VAL A 147 3.396 -20.493 -14.802 1.00 22.41 H new ATOM 0 HA VAL A 147 1.596 -22.709 -15.053 1.00 34.41 H new ATOM 0 HB VAL A 147 2.561 -20.575 -17.012 1.00 13.13 H new ATOM 0 HG11 VAL A 147 0.585 -21.110 -18.367 1.00 74.00 H new ATOM 0 HG12 VAL A 147 1.709 -22.484 -18.251 1.00 74.00 H new ATOM 0 HG13 VAL A 147 0.215 -22.473 -17.284 1.00 74.00 H new ATOM 0 HG21 VAL A 147 0.377 -19.500 -16.507 1.00 25.22 H new ATOM 0 HG22 VAL A 147 0.029 -20.787 -15.328 1.00 25.22 H new ATOM 0 HG23 VAL A 147 1.382 -19.666 -15.048 1.00 25.22 H new ATOM 2379 N GLU A 148 4.467 -22.847 -16.698 1.00 34.13 N ATOM 2380 CA GLU A 148 5.358 -23.774 -17.419 1.00 53.12 C ATOM 2381 C GLU A 148 5.910 -24.876 -16.496 1.00 11.14 C ATOM 2382 O GLU A 148 6.122 -26.011 -16.928 1.00 43.32 O ATOM 2383 CB GLU A 148 6.530 -23.026 -18.075 1.00 31.22 C ATOM 2384 CG GLU A 148 7.498 -22.397 -17.081 1.00 44.02 C ATOM 2385 CD GLU A 148 8.758 -21.855 -17.739 1.00 41.23 C ATOM 2386 OE1 GLU A 148 8.764 -20.676 -18.157 1.00 34.03 O ATOM 2387 OE2 GLU A 148 9.753 -22.607 -17.842 1.00 32.43 O ATOM 0 H GLU A 148 4.870 -21.928 -16.517 1.00 34.13 H new ATOM 0 HA GLU A 148 4.753 -24.243 -18.195 1.00 53.12 H new ATOM 0 HB2 GLU A 148 7.079 -23.719 -18.712 1.00 31.22 H new ATOM 0 HB3 GLU A 148 6.132 -22.245 -18.723 1.00 31.22 H new ATOM 0 HG2 GLU A 148 6.993 -21.588 -16.554 1.00 44.02 H new ATOM 0 HG3 GLU A 148 7.776 -23.140 -16.333 1.00 44.02 H new ATOM 2394 N PHE A 149 6.142 -24.536 -15.225 1.00 3.13 N ATOM 2395 CA PHE A 149 6.676 -25.494 -14.245 1.00 21.00 C ATOM 2396 C PHE A 149 5.781 -26.739 -14.139 1.00 1.12 C ATOM 2397 O PHE A 149 6.261 -27.873 -14.178 1.00 73.13 O ATOM 2398 CB PHE A 149 6.815 -24.817 -12.873 1.00 43.20 C ATOM 2399 CG PHE A 149 7.443 -25.692 -11.811 1.00 42.35 C ATOM 2400 CD1 PHE A 149 8.811 -25.933 -11.809 1.00 2.21 C ATOM 2401 CD2 PHE A 149 6.666 -26.270 -10.815 1.00 65.21 C ATOM 2402 CE1 PHE A 149 9.388 -26.732 -10.838 1.00 41.44 C ATOM 2403 CE2 PHE A 149 7.239 -27.068 -9.844 1.00 44.53 C ATOM 2404 CZ PHE A 149 8.601 -27.300 -9.855 1.00 61.14 C ATOM 0 H PHE A 149 5.969 -23.604 -14.848 1.00 3.13 H new ATOM 0 HA PHE A 149 7.659 -25.818 -14.585 1.00 21.00 H new ATOM 0 HB2 PHE A 149 7.415 -23.914 -12.985 1.00 43.20 H new ATOM 0 HB3 PHE A 149 5.828 -24.504 -12.533 1.00 43.20 H new ATOM 0 HD1 PHE A 149 9.432 -25.491 -12.575 1.00 2.21 H new ATOM 0 HD2 PHE A 149 5.601 -26.093 -10.800 1.00 65.21 H new ATOM 0 HE1 PHE A 149 10.453 -26.912 -10.849 1.00 41.44 H new ATOM 0 HE2 PHE A 149 6.622 -27.511 -9.076 1.00 44.53 H new ATOM 0 HZ PHE A 149 9.050 -27.924 -9.096 1.00 61.14 H new ATOM 2414 N PHE A 150 4.477 -26.517 -14.003 1.00 5.13 N ATOM 2415 CA PHE A 150 3.503 -27.615 -13.987 1.00 10.23 C ATOM 2416 C PHE A 150 3.115 -28.052 -15.411 1.00 5.01 C ATOM 2417 O PHE A 150 2.387 -29.030 -15.592 1.00 45.40 O ATOM 2418 CB PHE A 150 2.268 -27.204 -13.182 1.00 72.35 C ATOM 2419 CG PHE A 150 2.575 -26.989 -11.721 1.00 62.42 C ATOM 2420 CD1 PHE A 150 2.590 -28.062 -10.840 1.00 72.31 C ATOM 2421 CD2 PHE A 150 2.867 -25.724 -11.232 1.00 45.44 C ATOM 2422 CE1 PHE A 150 2.887 -27.876 -9.504 1.00 50.11 C ATOM 2423 CE2 PHE A 150 3.167 -25.534 -9.897 1.00 70.15 C ATOM 2424 CZ PHE A 150 3.177 -26.612 -9.032 1.00 35.32 C ATOM 0 H PHE A 150 4.066 -25.589 -13.902 1.00 5.13 H new ATOM 0 HA PHE A 150 3.967 -28.476 -13.505 1.00 10.23 H new ATOM 0 HB2 PHE A 150 1.854 -26.287 -13.601 1.00 72.35 H new ATOM 0 HB3 PHE A 150 1.502 -27.974 -13.279 1.00 72.35 H new ATOM 0 HD1 PHE A 150 2.367 -29.054 -11.204 1.00 72.31 H new ATOM 0 HD2 PHE A 150 2.860 -24.878 -11.903 1.00 45.44 H new ATOM 0 HE1 PHE A 150 2.892 -28.719 -8.829 1.00 50.11 H new ATOM 0 HE2 PHE A 150 3.394 -24.544 -9.530 1.00 70.15 H new ATOM 0 HZ PHE A 150 3.411 -26.465 -7.988 1.00 35.32 H new ATOM 2434 N HIS A 151 3.614 -27.321 -16.412 1.00 30.31 N ATOM 2435 CA HIS A 151 3.408 -27.659 -17.831 1.00 43.53 C ATOM 2436 C HIS A 151 1.919 -27.660 -18.210 1.00 13.33 C ATOM 2437 O HIS A 151 1.411 -28.599 -18.826 1.00 72.33 O ATOM 2438 CB HIS A 151 4.062 -29.009 -18.155 1.00 61.22 C ATOM 2439 CG HIS A 151 5.523 -29.030 -17.833 1.00 64.41 C ATOM 2440 ND1 HIS A 151 6.491 -28.566 -18.694 1.00 14.04 N ATOM 2441 CD2 HIS A 151 6.180 -29.435 -16.720 1.00 74.44 C ATOM 2442 CE1 HIS A 151 7.673 -28.681 -18.128 1.00 14.33 C ATOM 2443 NE2 HIS A 151 7.519 -29.204 -16.929 1.00 73.42 N ATOM 0 H HIS A 151 4.171 -26.479 -16.266 1.00 30.31 H new ATOM 0 HA HIS A 151 3.887 -26.886 -18.432 1.00 43.53 H new ATOM 0 HB2 HIS A 151 3.558 -29.797 -17.595 1.00 61.22 H new ATOM 0 HB3 HIS A 151 3.923 -29.232 -19.213 1.00 61.22 H new ATOM 0 HD2 HIS A 151 5.735 -29.860 -15.833 1.00 74.44 H new ATOM 0 HE1 HIS A 151 8.614 -28.394 -18.573 1.00 14.33 H new ATOM 0 HE2 HIS A 151 8.268 -29.404 -16.266 1.00 73.42 H new ATOM 2452 N VAL A 152 1.240 -26.578 -17.856 1.00 42.13 N ATOM 2453 CA VAL A 152 -0.194 -26.427 -18.111 1.00 15.03 C ATOM 2454 C VAL A 152 -0.505 -26.280 -19.612 1.00 22.31 C ATOM 2455 O VAL A 152 -1.578 -26.672 -20.080 1.00 54.45 O ATOM 2456 CB VAL A 152 -0.741 -25.202 -17.340 1.00 52.53 C ATOM 2457 CG1 VAL A 152 -2.218 -24.957 -17.642 1.00 24.41 C ATOM 2458 CG2 VAL A 152 -0.510 -25.384 -15.841 1.00 74.23 C ATOM 0 H VAL A 152 1.663 -25.779 -17.384 1.00 42.13 H new ATOM 0 HA VAL A 152 -0.685 -27.335 -17.761 1.00 15.03 H new ATOM 0 HB VAL A 152 -0.197 -24.319 -17.676 1.00 52.53 H new ATOM 0 HG11 VAL A 152 -2.565 -24.089 -17.082 1.00 24.41 H new ATOM 0 HG12 VAL A 152 -2.346 -24.775 -18.709 1.00 24.41 H new ATOM 0 HG13 VAL A 152 -2.799 -25.832 -17.351 1.00 24.41 H new ATOM 0 HG21 VAL A 152 -0.898 -24.518 -15.305 1.00 74.23 H new ATOM 0 HG22 VAL A 152 -1.025 -26.282 -15.500 1.00 74.23 H new ATOM 0 HG23 VAL A 152 0.558 -25.483 -15.647 1.00 74.23 H new