USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=31 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 150:sc= 0.998 USER MOD Set 1.2: A 133 LYS NZ :NH3+ 161:sc= 1.22 (180deg=-0.151) USER MOD Set 2.1: A 54 ASN :FLIP amide:sc= -0.809 F(o=-2.2!,f=-1.6) USER MOD Set 2.2: A 55 HIS :FLIP no HD1:sc= -0.786 F(o=-5.2,f=-1.6) USER MOD Set 3.1: A 16 TYR OH : rot 180:sc= -0.289 USER MOD Set 3.2: A 20 GLN : amide:sc= -1.5 K(o=-4.1,f=-6.3!) USER MOD Set 3.3: A 52 GLN :FLIP amide:sc= -2.3! F(o=-4.6,f=-4.1!) USER MOD Single : A 6 TYR OH : rot 86:sc= 0.353 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 9 SER OG : rot 80:sc= 1.14 USER MOD Single : A 14 SER OG : rot 180:sc= -1.77! USER MOD Single : A 22 THR OG1 : rot -84:sc= 1.25 USER MOD Single : A 36 THR OG1 : rot -75:sc= 0.443 USER MOD Single : A 37 SER OG : rot 170:sc= 0.0323 USER MOD Single : A 39 LYS NZ :NH3+ 161:sc= 1.84 (180deg=1.43) USER MOD Single : A 43 THR OG1 : rot 89:sc= -0.404 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.74) USER MOD Single : A 62 MET CE :methyl -174:sc= -0.051 (180deg=-0.134) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.15 F(o=-2.7!,f=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ -115:sc= 1.27 (180deg=-0.242) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 159:sc= -0.146 (180deg=-1.84) USER MOD Single : A 83 HIS :FLIP no HD1:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 97 THR OG1 : rot 56:sc= 1.2 USER MOD Single : A 100 SER OG : rot -83:sc= 0.778 USER MOD Single : A 107 LYS NZ :NH3+ -137:sc= 1.15 (180deg=-0.261) USER MOD Single : A 108 HIS : no HD1:sc= 0.751 K(o=0.75,f=-2.3!) USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= -1.13 (180deg=-1.25) USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.106 USER MOD Single : A 113 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 114 GLN : amide:sc= 0.42 X(o=0.42,f=-0.0072) 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 124 SER OG : rot -61:sc= 1.21 USER MOD Single : A 126 THR OG1 : rot 120:sc= -0.447 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.011) USER MOD Single : A 151 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 2.784 -3.323 -5.063 1.00 70.35 N ATOM 36 CA ASP A 3 3.766 -3.611 -6.117 1.00 23.31 C ATOM 37 C ASP A 3 3.084 -4.194 -7.375 1.00 1.35 C ATOM 38 O ASP A 3 2.060 -4.871 -7.273 1.00 64.44 O ATOM 39 CB ASP A 3 4.811 -4.596 -5.571 1.00 61.14 C ATOM 40 CG ASP A 3 5.939 -4.868 -6.547 1.00 22.24 C ATOM 41 OD1 ASP A 3 6.940 -4.122 -6.526 1.00 61.33 O ATOM 42 OD2 ASP A 3 5.827 -5.822 -7.342 1.00 60.03 O ATOM 0 HA ASP A 3 4.252 -2.680 -6.410 1.00 23.31 H new ATOM 0 HB2 ASP A 3 5.227 -4.199 -4.645 1.00 61.14 H new ATOM 0 HB3 ASP A 3 4.320 -5.536 -5.322 1.00 61.14 H new ATOM 47 N GLU A 4 3.656 -3.937 -8.553 1.00 4.43 N ATOM 48 CA GLU A 4 3.079 -4.419 -9.820 1.00 13.40 C ATOM 49 C GLU A 4 2.910 -5.952 -9.817 1.00 74.41 C ATOM 50 O GLU A 4 1.856 -6.482 -10.189 1.00 64.23 O ATOM 51 CB GLU A 4 3.972 -3.999 -10.998 1.00 43.11 C ATOM 52 CG GLU A 4 3.353 -4.267 -12.366 1.00 74.21 C ATOM 53 CD GLU A 4 4.343 -4.092 -13.508 1.00 23.24 C ATOM 54 OE1 GLU A 4 4.829 -2.963 -13.715 1.00 62.30 O ATOM 55 OE2 GLU A 4 4.638 -5.088 -14.208 1.00 12.44 O ATOM 0 H GLU A 4 4.516 -3.400 -8.661 1.00 4.43 H new ATOM 0 HA GLU A 4 2.092 -3.969 -9.929 1.00 13.40 H new ATOM 0 HB2 GLU A 4 4.194 -2.935 -10.912 1.00 43.11 H new ATOM 0 HB3 GLU A 4 4.922 -4.530 -10.929 1.00 43.11 H new ATOM 0 HG2 GLU A 4 2.957 -5.282 -12.387 1.00 74.21 H new ATOM 0 HG3 GLU A 4 2.510 -3.593 -12.516 1.00 74.21 H new ATOM 62 N LEU A 5 3.950 -6.658 -9.375 1.00 62.45 N ATOM 63 CA LEU A 5 3.913 -8.122 -9.274 1.00 15.12 C ATOM 64 C LEU A 5 2.950 -8.565 -8.163 1.00 51.24 C ATOM 65 O LEU A 5 2.300 -9.609 -8.265 1.00 61.42 O ATOM 66 CB LEU A 5 5.323 -8.668 -9.008 1.00 12.12 C ATOM 67 CG LEU A 5 5.437 -10.201 -8.904 1.00 41.41 C ATOM 68 CD1 LEU A 5 5.010 -10.879 -10.206 1.00 44.43 C ATOM 69 CD2 LEU A 5 6.860 -10.601 -8.525 1.00 41.33 C ATOM 0 H LEU A 5 4.833 -6.241 -9.080 1.00 62.45 H new ATOM 0 HA LEU A 5 3.551 -8.525 -10.220 1.00 15.12 H new ATOM 0 HB2 LEU A 5 5.982 -8.326 -9.807 1.00 12.12 H new ATOM 0 HB3 LEU A 5 5.693 -8.231 -8.081 1.00 12.12 H new ATOM 0 HG LEU A 5 4.760 -10.539 -8.120 1.00 41.41 H new ATOM 0 HD11 LEU A 5 5.102 -11.960 -10.100 1.00 44.43 H new ATOM 0 HD12 LEU A 5 3.974 -10.623 -10.427 1.00 44.43 H new ATOM 0 HD13 LEU A 5 5.649 -10.538 -11.020 1.00 44.43 H new ATOM 0 HD21 LEU A 5 6.926 -11.687 -8.455 1.00 41.33 H new ATOM 0 HD22 LEU A 5 7.553 -10.243 -9.286 1.00 41.33 H new ATOM 0 HD23 LEU A 5 7.118 -10.159 -7.563 1.00 41.33 H new ATOM 81 N TYR A 6 2.866 -7.763 -7.101 1.00 51.32 N ATOM 82 CA TYR A 6 1.899 -8.002 -6.024 1.00 55.15 C ATOM 83 C TYR A 6 0.470 -7.970 -6.586 1.00 41.54 C ATOM 84 O TYR A 6 -0.334 -8.851 -6.301 1.00 1.33 O ATOM 85 CB TYR A 6 2.055 -6.944 -4.915 1.00 3.44 C ATOM 86 CG TYR A 6 1.263 -7.227 -3.638 1.00 64.41 C ATOM 87 CD1 TYR A 6 -0.133 -7.197 -3.622 1.00 53.50 C ATOM 88 CD2 TYR A 6 1.917 -7.508 -2.441 1.00 24.50 C ATOM 89 CE1 TYR A 6 -0.844 -7.442 -2.460 1.00 11.14 C ATOM 90 CE2 TYR A 6 1.210 -7.755 -1.278 1.00 62.40 C ATOM 91 CZ TYR A 6 -0.167 -7.720 -1.291 1.00 23.42 C ATOM 92 OH TYR A 6 -0.869 -7.959 -0.129 1.00 53.50 O ATOM 0 H TYR A 6 3.455 -6.942 -6.962 1.00 51.32 H new ATOM 0 HA TYR A 6 2.091 -8.985 -5.595 1.00 55.15 H new ATOM 0 HB2 TYR A 6 3.111 -6.861 -4.659 1.00 3.44 H new ATOM 0 HB3 TYR A 6 1.745 -5.976 -5.310 1.00 3.44 H new ATOM 0 HD1 TYR A 6 -0.668 -6.978 -4.534 1.00 53.50 H new ATOM 0 HD2 TYR A 6 2.997 -7.534 -2.420 1.00 24.50 H new ATOM 0 HE1 TYR A 6 -1.924 -7.416 -2.469 1.00 11.14 H new ATOM 0 HE2 TYR A 6 1.737 -7.975 -0.361 1.00 62.40 H new ATOM 0 HH TYR A 6 -1.123 -8.905 -0.089 1.00 53.50 H new ATOM 102 N ARG A 7 0.171 -6.948 -7.392 1.00 35.54 N ATOM 103 CA ARG A 7 -1.149 -6.806 -8.018 1.00 2.31 C ATOM 104 C ARG A 7 -1.521 -8.036 -8.860 1.00 43.44 C ATOM 105 O ARG A 7 -2.616 -8.577 -8.718 1.00 73.03 O ATOM 106 CB ARG A 7 -1.206 -5.540 -8.887 1.00 4.13 C ATOM 107 CG ARG A 7 -1.227 -4.234 -8.093 1.00 2.14 C ATOM 108 CD ARG A 7 -2.422 -4.171 -7.143 1.00 32.23 C ATOM 109 NE ARG A 7 -3.682 -4.485 -7.819 1.00 23.24 N ATOM 110 CZ ARG A 7 -4.810 -4.724 -7.202 1.00 60.02 C ATOM 111 NH1 ARG A 7 -4.898 -4.627 -5.915 1.00 51.32 N ATOM 112 NH2 ARG A 7 -5.858 -5.051 -7.882 1.00 22.50 N ATOM 0 H ARG A 7 0.827 -6.203 -7.628 1.00 35.54 H new ATOM 0 HA ARG A 7 -1.877 -6.720 -7.211 1.00 2.31 H new ATOM 0 HB2 ARG A 7 -0.344 -5.532 -9.554 1.00 4.13 H new ATOM 0 HB3 ARG A 7 -2.096 -5.584 -9.515 1.00 4.13 H new ATOM 0 HG2 ARG A 7 -0.303 -4.140 -7.523 1.00 2.14 H new ATOM 0 HG3 ARG A 7 -1.264 -3.390 -8.781 1.00 2.14 H new ATOM 0 HD2 ARG A 7 -2.268 -4.870 -6.321 1.00 32.23 H new ATOM 0 HD3 ARG A 7 -2.485 -3.174 -6.706 1.00 32.23 H new ATOM 0 HE ARG A 7 -3.680 -4.520 -8.838 1.00 23.24 H new ATOM 0 HH11 ARG A 7 -4.080 -4.361 -5.367 1.00 51.32 H new ATOM 0 HH12 ARG A 7 -5.785 -4.817 -5.449 1.00 51.32 H new ATOM 0 HH21 ARG A 7 -5.805 -5.122 -8.898 1.00 22.50 H new ATOM 0 HH22 ARG A 7 -6.739 -5.238 -7.403 1.00 22.50 H new ATOM 126 N GLN A 8 -0.615 -8.474 -9.736 1.00 24.55 N ATOM 127 CA GLN A 8 -0.871 -9.664 -10.561 1.00 31.42 C ATOM 128 C GLN A 8 -1.047 -10.922 -9.695 1.00 0.33 C ATOM 129 O GLN A 8 -1.991 -11.695 -9.869 1.00 51.11 O ATOM 130 CB GLN A 8 0.256 -9.883 -11.578 1.00 52.23 C ATOM 131 CG GLN A 8 0.083 -11.152 -12.410 1.00 32.14 C ATOM 132 CD GLN A 8 1.127 -11.300 -13.501 1.00 1.10 C ATOM 133 OE1 GLN A 8 2.247 -10.818 -13.381 1.00 23.20 O ATOM 134 NE2 GLN A 8 0.767 -11.968 -14.576 1.00 63.10 N ATOM 0 H GLN A 8 0.291 -8.033 -9.894 1.00 24.55 H new ATOM 0 HA GLN A 8 -1.801 -9.486 -11.101 1.00 31.42 H new ATOM 0 HB2 GLN A 8 0.305 -9.023 -12.246 1.00 52.23 H new ATOM 0 HB3 GLN A 8 1.208 -9.931 -11.050 1.00 52.23 H new ATOM 0 HG2 GLN A 8 0.130 -12.019 -11.751 1.00 32.14 H new ATOM 0 HG3 GLN A 8 -0.908 -11.149 -12.863 1.00 32.14 H new ATOM 0 HE21 GLN A 8 -0.174 -12.357 -14.644 1.00 63.10 H new ATOM 0 HE22 GLN A 8 1.429 -12.097 -15.341 1.00 63.10 H new ATOM 143 N SER A 9 -0.133 -11.125 -8.758 1.00 24.10 N ATOM 144 CA SER A 9 -0.240 -12.247 -7.822 1.00 52.44 C ATOM 145 C SER A 9 -1.541 -12.154 -7.006 1.00 43.44 C ATOM 146 O SER A 9 -2.136 -13.168 -6.639 1.00 54.20 O ATOM 147 CB SER A 9 0.974 -12.278 -6.886 1.00 52.44 C ATOM 148 OG SER A 9 2.185 -12.399 -7.622 1.00 12.04 O ATOM 0 H SER A 9 0.688 -10.535 -8.621 1.00 24.10 H new ATOM 0 HA SER A 9 -0.262 -13.172 -8.398 1.00 52.44 H new ATOM 0 HB2 SER A 9 0.998 -11.368 -6.287 1.00 52.44 H new ATOM 0 HB3 SER A 9 0.881 -13.114 -6.193 1.00 52.44 H new ATOM 0 HG SER A 9 2.438 -11.523 -7.981 1.00 12.04 H new ATOM 154 N LEU A 10 -1.981 -10.923 -6.740 1.00 72.13 N ATOM 155 CA LEU A 10 -3.217 -10.676 -5.992 1.00 52.14 C ATOM 156 C LEU A 10 -4.467 -10.997 -6.829 1.00 22.55 C ATOM 157 O LEU A 10 -5.378 -11.656 -6.343 1.00 12.14 O ATOM 158 CB LEU A 10 -3.265 -9.219 -5.505 1.00 22.22 C ATOM 159 CG LEU A 10 -4.463 -8.858 -4.608 1.00 73.34 C ATOM 160 CD1 LEU A 10 -4.489 -9.737 -3.358 1.00 62.21 C ATOM 161 CD2 LEU A 10 -4.427 -7.377 -4.229 1.00 20.10 C ATOM 0 H LEU A 10 -1.496 -10.075 -7.034 1.00 72.13 H new ATOM 0 HA LEU A 10 -3.216 -11.343 -5.130 1.00 52.14 H new ATOM 0 HB2 LEU A 10 -2.347 -9.007 -4.957 1.00 22.22 H new ATOM 0 HB3 LEU A 10 -3.275 -8.564 -6.376 1.00 22.22 H new ATOM 0 HG LEU A 10 -5.378 -9.043 -5.171 1.00 73.34 H new ATOM 0 HD11 LEU A 10 -5.344 -9.464 -2.739 1.00 62.21 H new ATOM 0 HD12 LEU A 10 -4.572 -10.784 -3.651 1.00 62.21 H new ATOM 0 HD13 LEU A 10 -3.569 -9.591 -2.791 1.00 62.21 H new ATOM 0 HD21 LEU A 10 -5.282 -7.143 -3.595 1.00 20.10 H new ATOM 0 HD22 LEU A 10 -3.505 -7.162 -3.689 1.00 20.10 H new ATOM 0 HD23 LEU A 10 -4.468 -6.769 -5.133 1.00 20.10 H new ATOM 173 N GLU A 11 -4.512 -10.541 -8.085 1.00 3.05 N ATOM 174 CA GLU A 11 -5.683 -10.782 -8.945 1.00 22.22 C ATOM 175 C GLU A 11 -5.958 -12.292 -9.083 1.00 63.24 C ATOM 176 O GLU A 11 -7.108 -12.742 -8.985 1.00 15.11 O ATOM 177 CB GLU A 11 -5.497 -10.140 -10.341 1.00 33.53 C ATOM 178 CG GLU A 11 -4.389 -10.770 -11.184 1.00 62.20 C ATOM 179 CD GLU A 11 -4.224 -10.137 -12.562 1.00 62.12 C ATOM 180 OE1 GLU A 11 -5.045 -10.423 -13.456 1.00 4.14 O ATOM 181 OE2 GLU A 11 -3.268 -9.361 -12.765 1.00 42.21 O ATOM 0 H GLU A 11 -3.763 -10.009 -8.528 1.00 3.05 H new ATOM 0 HA GLU A 11 -6.544 -10.313 -8.469 1.00 22.22 H new ATOM 0 HB2 GLU A 11 -6.437 -10.210 -10.888 1.00 33.53 H new ATOM 0 HB3 GLU A 11 -5.281 -9.079 -10.214 1.00 33.53 H new ATOM 0 HG2 GLU A 11 -3.446 -10.691 -10.644 1.00 62.20 H new ATOM 0 HG3 GLU A 11 -4.599 -11.833 -11.306 1.00 62.20 H new ATOM 188 N ILE A 12 -4.888 -13.068 -9.275 1.00 61.01 N ATOM 189 CA ILE A 12 -4.991 -14.525 -9.407 1.00 1.21 C ATOM 190 C ILE A 12 -5.489 -15.187 -8.105 1.00 33.41 C ATOM 191 O ILE A 12 -6.488 -15.915 -8.107 1.00 54.41 O ATOM 192 CB ILE A 12 -3.619 -15.136 -9.802 1.00 61.22 C ATOM 193 CG1 ILE A 12 -3.092 -14.487 -11.095 1.00 15.30 C ATOM 194 CG2 ILE A 12 -3.730 -16.652 -9.966 1.00 43.50 C ATOM 195 CD1 ILE A 12 -1.693 -14.931 -11.480 1.00 52.42 C ATOM 0 H ILE A 12 -3.935 -12.710 -9.343 1.00 61.01 H new ATOM 0 HA ILE A 12 -5.720 -14.723 -10.192 1.00 1.21 H new ATOM 0 HB ILE A 12 -2.909 -14.932 -9.001 1.00 61.22 H new ATOM 0 HG12 ILE A 12 -3.775 -14.721 -11.912 1.00 15.30 H new ATOM 0 HG13 ILE A 12 -3.099 -13.404 -10.975 1.00 15.30 H new ATOM 0 HG21 ILE A 12 -2.758 -17.060 -10.243 1.00 43.50 H new ATOM 0 HG22 ILE A 12 -4.056 -17.097 -9.026 1.00 43.50 H new ATOM 0 HG23 ILE A 12 -4.455 -16.881 -10.747 1.00 43.50 H new ATOM 0 HD11 ILE A 12 -1.393 -14.430 -12.401 1.00 52.42 H new ATOM 0 HD12 ILE A 12 -0.997 -14.672 -10.682 1.00 52.42 H new ATOM 0 HD13 ILE A 12 -1.683 -16.010 -11.634 1.00 52.42 H new ATOM 207 N ILE A 13 -4.799 -14.917 -6.994 1.00 71.40 N ATOM 208 CA ILE A 13 -5.148 -15.515 -5.696 1.00 62.32 C ATOM 209 C ILE A 13 -6.515 -15.021 -5.186 1.00 72.13 C ATOM 210 O ILE A 13 -7.382 -15.821 -4.825 1.00 22.14 O ATOM 211 CB ILE A 13 -4.062 -15.210 -4.634 1.00 62.20 C ATOM 212 CG1 ILE A 13 -2.704 -15.781 -5.083 1.00 34.52 C ATOM 213 CG2 ILE A 13 -4.467 -15.776 -3.272 1.00 42.40 C ATOM 214 CD1 ILE A 13 -1.556 -15.451 -4.151 1.00 71.21 C ATOM 0 H ILE A 13 -3.996 -14.289 -6.964 1.00 71.40 H new ATOM 0 HA ILE A 13 -5.207 -16.592 -5.852 1.00 62.32 H new ATOM 0 HB ILE A 13 -3.965 -14.129 -4.534 1.00 62.20 H new ATOM 0 HG12 ILE A 13 -2.788 -16.864 -5.169 1.00 34.52 H new ATOM 0 HG13 ILE A 13 -2.472 -15.399 -6.077 1.00 34.52 H new ATOM 0 HG21 ILE A 13 -3.692 -15.552 -2.540 1.00 42.40 H new ATOM 0 HG22 ILE A 13 -5.407 -15.324 -2.955 1.00 42.40 H new ATOM 0 HG23 ILE A 13 -4.591 -16.856 -3.349 1.00 42.40 H new ATOM 0 HD11 ILE A 13 -0.636 -15.889 -4.538 1.00 71.21 H new ATOM 0 HD12 ILE A 13 -1.442 -14.369 -4.083 1.00 71.21 H new ATOM 0 HD13 ILE A 13 -1.763 -15.857 -3.161 1.00 71.21 H new ATOM 226 N SER A 14 -6.694 -13.701 -5.166 1.00 14.10 N ATOM 227 CA SER A 14 -7.948 -13.076 -4.706 1.00 14.14 C ATOM 228 C SER A 14 -9.170 -13.703 -5.382 1.00 53.42 C ATOM 229 O SER A 14 -10.125 -14.123 -4.707 1.00 1.33 O ATOM 230 CB SER A 14 -7.927 -11.563 -4.973 1.00 72.42 C ATOM 231 OG SER A 14 -9.124 -10.940 -4.540 1.00 3.21 O ATOM 0 H SER A 14 -5.984 -13.033 -5.465 1.00 14.10 H new ATOM 0 HA SER A 14 -8.024 -13.251 -3.633 1.00 14.14 H new ATOM 0 HB2 SER A 14 -7.076 -11.114 -4.460 1.00 72.42 H new ATOM 0 HB3 SER A 14 -7.787 -11.383 -6.039 1.00 72.42 H new ATOM 0 HG SER A 14 -9.077 -9.978 -4.723 1.00 3.21 H new ATOM 237 N ARG A 15 -9.141 -13.784 -6.715 1.00 64.51 N ATOM 238 CA ARG A 15 -10.223 -14.436 -7.450 1.00 31.00 C ATOM 239 C ARG A 15 -10.396 -15.895 -7.018 1.00 72.12 C ATOM 240 O ARG A 15 -11.512 -16.331 -6.766 1.00 41.02 O ATOM 241 CB ARG A 15 -10.002 -14.373 -8.966 1.00 33.05 C ATOM 242 CG ARG A 15 -10.409 -13.046 -9.599 1.00 21.44 C ATOM 243 CD ARG A 15 -10.818 -13.235 -11.059 1.00 21.54 C ATOM 244 NE ARG A 15 -11.896 -14.220 -11.194 1.00 42.13 N ATOM 245 CZ ARG A 15 -12.372 -14.651 -12.333 1.00 63.42 C ATOM 246 NH1 ARG A 15 -11.915 -14.197 -13.457 1.00 64.43 N ATOM 247 NH2 ARG A 15 -13.308 -15.542 -12.341 1.00 74.10 N ATOM 0 H ARG A 15 -8.391 -13.412 -7.298 1.00 64.51 H new ATOM 0 HA ARG A 15 -11.133 -13.887 -7.210 1.00 31.00 H new ATOM 0 HB2 ARG A 15 -8.948 -14.556 -9.177 1.00 33.05 H new ATOM 0 HB3 ARG A 15 -10.566 -15.177 -9.439 1.00 33.05 H new ATOM 0 HG2 ARG A 15 -11.237 -12.612 -9.039 1.00 21.44 H new ATOM 0 HG3 ARG A 15 -9.580 -12.341 -9.539 1.00 21.44 H new ATOM 0 HD2 ARG A 15 -11.143 -12.280 -11.473 1.00 21.54 H new ATOM 0 HD3 ARG A 15 -9.954 -13.558 -11.641 1.00 21.54 H new ATOM 0 HE ARG A 15 -12.304 -14.596 -10.338 1.00 42.13 H new ATOM 0 HH11 ARG A 15 -11.175 -13.495 -13.460 1.00 64.43 H new ATOM 0 HH12 ARG A 15 -12.295 -14.542 -14.339 1.00 64.43 H new ATOM 0 HH21 ARG A 15 -13.673 -15.906 -11.461 1.00 74.10 H new ATOM 0 HH22 ARG A 15 -13.682 -15.881 -13.227 1.00 74.10 H new ATOM 261 N TYR A 16 -9.290 -16.636 -6.909 1.00 14.02 N ATOM 262 CA TYR A 16 -9.350 -18.064 -6.567 1.00 52.11 C ATOM 263 C TYR A 16 -10.155 -18.312 -5.279 1.00 22.05 C ATOM 264 O TYR A 16 -10.981 -19.227 -5.220 1.00 10.10 O ATOM 265 CB TYR A 16 -7.937 -18.643 -6.421 1.00 64.35 C ATOM 266 CG TYR A 16 -7.921 -20.153 -6.262 1.00 42.31 C ATOM 267 CD1 TYR A 16 -8.105 -20.981 -7.362 1.00 13.53 C ATOM 268 CD2 TYR A 16 -7.731 -20.751 -5.019 1.00 41.15 C ATOM 269 CE1 TYR A 16 -8.097 -22.353 -7.232 1.00 24.23 C ATOM 270 CE2 TYR A 16 -7.721 -22.128 -4.883 1.00 15.31 C ATOM 271 CZ TYR A 16 -7.906 -22.924 -5.994 1.00 63.42 C ATOM 272 OH TYR A 16 -7.893 -24.296 -5.871 1.00 53.31 O ATOM 0 H TYR A 16 -8.346 -16.276 -7.051 1.00 14.02 H new ATOM 0 HA TYR A 16 -9.863 -18.570 -7.385 1.00 52.11 H new ATOM 0 HB2 TYR A 16 -7.348 -18.370 -7.297 1.00 64.35 H new ATOM 0 HB3 TYR A 16 -7.453 -18.188 -5.557 1.00 64.35 H new ATOM 0 HD1 TYR A 16 -8.257 -20.542 -8.337 1.00 13.53 H new ATOM 0 HD2 TYR A 16 -7.589 -20.130 -4.147 1.00 41.15 H new ATOM 0 HE1 TYR A 16 -8.240 -22.979 -8.100 1.00 24.23 H new ATOM 0 HE2 TYR A 16 -7.569 -22.577 -3.912 1.00 15.31 H new ATOM 0 HH TYR A 16 -7.746 -24.539 -4.933 1.00 53.31 H new ATOM 282 N LEU A 17 -9.918 -17.492 -4.254 1.00 45.21 N ATOM 283 CA LEU A 17 -10.672 -17.594 -2.999 1.00 1.04 C ATOM 284 C LEU A 17 -12.170 -17.330 -3.223 1.00 41.02 C ATOM 285 O LEU A 17 -13.015 -18.039 -2.676 1.00 63.42 O ATOM 286 CB LEU A 17 -10.107 -16.641 -1.930 1.00 62.11 C ATOM 287 CG LEU A 17 -8.895 -17.178 -1.143 1.00 1.43 C ATOM 288 CD1 LEU A 17 -7.695 -17.422 -2.057 1.00 35.10 C ATOM 289 CD2 LEU A 17 -8.529 -16.228 -0.007 1.00 11.52 C ATOM 0 H LEU A 17 -9.215 -16.753 -4.265 1.00 45.21 H new ATOM 0 HA LEU A 17 -10.561 -18.615 -2.635 1.00 1.04 H new ATOM 0 HB2 LEU A 17 -9.820 -15.707 -2.414 1.00 62.11 H new ATOM 0 HB3 LEU A 17 -10.902 -16.402 -1.223 1.00 62.11 H new ATOM 0 HG LEU A 17 -9.178 -18.138 -0.712 1.00 1.43 H new ATOM 0 HD11 LEU A 17 -6.860 -17.800 -1.468 1.00 35.10 H new ATOM 0 HD12 LEU A 17 -7.961 -18.154 -2.820 1.00 35.10 H new ATOM 0 HD13 LEU A 17 -7.407 -16.487 -2.537 1.00 35.10 H new ATOM 0 HD21 LEU A 17 -7.671 -16.624 0.537 1.00 11.52 H new ATOM 0 HD22 LEU A 17 -8.278 -15.250 -0.417 1.00 11.52 H new ATOM 0 HD23 LEU A 17 -9.376 -16.130 0.672 1.00 11.52 H new ATOM 301 N ARG A 18 -12.501 -16.317 -4.029 1.00 4.13 N ATOM 302 CA ARG A 18 -13.907 -16.060 -4.390 1.00 33.42 C ATOM 303 C ARG A 18 -14.519 -17.255 -5.149 1.00 62.21 C ATOM 304 O ARG A 18 -15.612 -17.718 -4.817 1.00 54.43 O ATOM 305 CB ARG A 18 -14.041 -14.782 -5.239 1.00 13.10 C ATOM 306 CG ARG A 18 -14.173 -13.490 -4.434 1.00 2.43 C ATOM 307 CD ARG A 18 -12.929 -13.169 -3.614 1.00 11.35 C ATOM 308 NE ARG A 18 -12.987 -11.818 -3.063 1.00 31.13 N ATOM 309 CZ ARG A 18 -11.943 -11.118 -2.719 1.00 54.22 C ATOM 310 NH1 ARG A 18 -10.761 -11.637 -2.750 1.00 35.42 N ATOM 311 NH2 ARG A 18 -12.087 -9.894 -2.336 1.00 63.11 N ATOM 0 H ARG A 18 -11.830 -15.668 -4.441 1.00 4.13 H new ATOM 0 HA ARG A 18 -14.455 -15.921 -3.458 1.00 33.42 H new ATOM 0 HB2 ARG A 18 -13.170 -14.701 -5.889 1.00 13.10 H new ATOM 0 HB3 ARG A 18 -14.913 -14.882 -5.885 1.00 13.10 H new ATOM 0 HG2 ARG A 18 -14.376 -12.663 -5.115 1.00 2.43 H new ATOM 0 HG3 ARG A 18 -15.031 -13.571 -3.766 1.00 2.43 H new ATOM 0 HD2 ARG A 18 -12.830 -13.890 -2.803 1.00 11.35 H new ATOM 0 HD3 ARG A 18 -12.043 -13.270 -4.240 1.00 11.35 H new ATOM 0 HE ARG A 18 -13.906 -11.394 -2.939 1.00 31.13 H new ATOM 0 HH11 ARG A 18 -10.637 -12.605 -3.046 1.00 35.42 H new ATOM 0 HH12 ARG A 18 -9.952 -11.079 -2.478 1.00 35.42 H new ATOM 0 HH21 ARG A 18 -13.017 -9.476 -2.303 1.00 63.11 H new ATOM 0 HH22 ARG A 18 -11.271 -9.345 -2.066 1.00 63.11 H new ATOM 325 N GLU A 19 -13.800 -17.749 -6.159 1.00 4.23 N ATOM 326 CA GLU A 19 -14.244 -18.900 -6.961 1.00 23.11 C ATOM 327 C GLU A 19 -14.565 -20.108 -6.064 1.00 23.23 C ATOM 328 O GLU A 19 -15.604 -20.758 -6.208 1.00 64.11 O ATOM 329 CB GLU A 19 -13.141 -19.307 -7.961 1.00 52.11 C ATOM 330 CG GLU A 19 -12.626 -18.183 -8.862 1.00 24.32 C ATOM 331 CD GLU A 19 -13.560 -17.840 -10.011 1.00 55.00 C ATOM 332 OE1 GLU A 19 -13.670 -18.660 -10.948 1.00 24.43 O ATOM 333 OE2 GLU A 19 -14.146 -16.737 -10.009 1.00 65.32 O ATOM 0 H GLU A 19 -12.898 -17.368 -6.446 1.00 4.23 H new ATOM 0 HA GLU A 19 -15.145 -18.602 -7.497 1.00 23.11 H new ATOM 0 HB2 GLU A 19 -12.300 -19.716 -7.401 1.00 52.11 H new ATOM 0 HB3 GLU A 19 -13.524 -20.109 -8.592 1.00 52.11 H new ATOM 0 HG2 GLU A 19 -12.466 -17.290 -8.258 1.00 24.32 H new ATOM 0 HG3 GLU A 19 -11.656 -18.471 -9.268 1.00 24.32 H new ATOM 340 N GLN A 20 -13.658 -20.394 -5.132 1.00 24.01 N ATOM 341 CA GLN A 20 -13.767 -21.571 -4.264 1.00 12.12 C ATOM 342 C GLN A 20 -14.826 -21.387 -3.154 1.00 72.33 C ATOM 343 O GLN A 20 -15.609 -22.299 -2.871 1.00 73.33 O ATOM 344 CB GLN A 20 -12.393 -21.871 -3.642 1.00 72.55 C ATOM 345 CG GLN A 20 -12.302 -23.236 -2.968 1.00 2.53 C ATOM 346 CD GLN A 20 -12.391 -24.394 -3.952 1.00 44.33 C ATOM 347 OE1 GLN A 20 -12.928 -25.451 -3.641 1.00 70.31 O ATOM 348 NE2 GLN A 20 -11.834 -24.223 -5.134 1.00 2.42 N ATOM 0 H GLN A 20 -12.832 -19.823 -4.956 1.00 24.01 H new ATOM 0 HA GLN A 20 -14.093 -22.411 -4.878 1.00 12.12 H new ATOM 0 HB2 GLN A 20 -11.632 -21.810 -4.420 1.00 72.55 H new ATOM 0 HB3 GLN A 20 -12.161 -21.099 -2.908 1.00 72.55 H new ATOM 0 HG2 GLN A 20 -11.361 -23.303 -2.421 1.00 2.53 H new ATOM 0 HG3 GLN A 20 -13.104 -23.327 -2.235 1.00 2.53 H new ATOM 0 HE21 GLN A 20 -11.394 -23.333 -5.366 1.00 2.42 H new ATOM 0 HE22 GLN A 20 -11.843 -24.981 -5.816 1.00 2.42 H new ATOM 357 N ALA A 21 -14.847 -20.209 -2.529 1.00 61.43 N ATOM 358 CA ALA A 21 -15.773 -19.933 -1.419 1.00 40.22 C ATOM 359 C ALA A 21 -17.234 -19.861 -1.885 1.00 5.32 C ATOM 360 O ALA A 21 -18.136 -20.358 -1.211 1.00 50.43 O ATOM 361 CB ALA A 21 -15.389 -18.634 -0.722 1.00 54.14 C ATOM 0 H ALA A 21 -14.236 -19.428 -2.769 1.00 61.43 H new ATOM 0 HA ALA A 21 -15.691 -20.764 -0.718 1.00 40.22 H new ATOM 0 HB1 ALA A 21 -16.082 -18.442 0.097 1.00 54.14 H new ATOM 0 HB2 ALA A 21 -14.376 -18.718 -0.328 1.00 54.14 H new ATOM 0 HB3 ALA A 21 -15.434 -17.811 -1.436 1.00 54.14 H new ATOM 367 N THR A 22 -17.468 -19.246 -3.041 1.00 2.45 N ATOM 368 CA THR A 22 -18.835 -19.076 -3.557 1.00 53.51 C ATOM 369 C THR A 22 -19.284 -20.289 -4.378 1.00 40.23 C ATOM 370 O THR A 22 -20.475 -20.600 -4.445 1.00 55.40 O ATOM 371 CB THR A 22 -18.955 -17.812 -4.438 1.00 13.34 C ATOM 372 OG1 THR A 22 -18.203 -17.988 -5.650 1.00 45.34 O ATOM 373 CG2 THR A 22 -18.450 -16.578 -3.689 1.00 32.41 C ATOM 0 H THR A 22 -16.739 -18.857 -3.639 1.00 2.45 H new ATOM 0 HA THR A 22 -19.480 -18.973 -2.685 1.00 53.51 H new ATOM 0 HB THR A 22 -20.006 -17.661 -4.682 1.00 13.34 H new ATOM 0 HG1 THR A 22 -17.263 -17.766 -5.487 1.00 45.34 H new ATOM 0 HG21 THR A 22 -18.544 -15.700 -4.329 1.00 32.41 H new ATOM 0 HG22 THR A 22 -19.042 -16.433 -2.785 1.00 32.41 H new ATOM 0 HG23 THR A 22 -17.404 -16.719 -3.419 1.00 32.41 H new ATOM 381 N GLY A 23 -18.326 -20.976 -4.997 1.00 51.35 N ATOM 382 CA GLY A 23 -18.639 -22.150 -5.805 1.00 72.11 C ATOM 383 C GLY A 23 -19.079 -21.795 -7.220 1.00 3.21 C ATOM 384 O GLY A 23 -19.489 -22.666 -7.989 1.00 41.32 O ATOM 0 H GLY A 23 -17.334 -20.742 -4.955 1.00 51.35 H new ATOM 0 HA2 GLY A 23 -17.762 -22.796 -5.854 1.00 72.11 H new ATOM 0 HA3 GLY A 23 -19.429 -22.721 -5.317 1.00 72.11 H new ATOM 541 N GLY A 34 -3.173 -11.117 -18.672 1.00 32.42 N ATOM 542 CA GLY A 34 -4.001 -12.011 -19.478 1.00 12.23 C ATOM 543 C GLY A 34 -3.589 -13.480 -19.389 1.00 22.20 C ATOM 544 O GLY A 34 -4.027 -14.199 -18.489 1.00 75.11 O ATOM 0 HA2 GLY A 34 -5.039 -11.915 -19.160 1.00 12.23 H new ATOM 0 HA3 GLY A 34 -3.955 -11.693 -20.520 1.00 12.23 H new ATOM 548 N ALA A 35 -2.739 -13.923 -20.321 1.00 72.01 N ATOM 549 CA ALA A 35 -2.343 -15.338 -20.420 1.00 62.45 C ATOM 550 C ALA A 35 -1.837 -15.911 -19.087 1.00 5.15 C ATOM 551 O ALA A 35 -2.293 -16.968 -18.648 1.00 44.43 O ATOM 552 CB ALA A 35 -1.271 -15.511 -21.492 1.00 10.33 C ATOM 0 H ALA A 35 -2.308 -13.321 -21.023 1.00 72.01 H new ATOM 0 HA ALA A 35 -3.239 -15.895 -20.693 1.00 62.45 H new ATOM 0 HB1 ALA A 35 -0.986 -16.561 -21.556 1.00 10.33 H new ATOM 0 HB2 ALA A 35 -1.663 -15.182 -22.455 1.00 10.33 H new ATOM 0 HB3 ALA A 35 -0.397 -14.913 -21.232 1.00 10.33 H new ATOM 558 N THR A 36 -0.905 -15.210 -18.442 1.00 11.35 N ATOM 559 CA THR A 36 -0.318 -15.688 -17.181 1.00 50.43 C ATOM 560 C THR A 36 -1.364 -15.764 -16.064 1.00 75.13 C ATOM 561 O THR A 36 -1.389 -16.720 -15.284 1.00 61.33 O ATOM 562 CB THR A 36 0.870 -14.809 -16.718 1.00 62.03 C ATOM 563 OG1 THR A 36 1.897 -14.804 -17.722 1.00 34.12 O ATOM 564 CG2 THR A 36 1.456 -15.317 -15.401 1.00 32.14 C ATOM 0 H THR A 36 -0.539 -14.314 -18.765 1.00 11.35 H new ATOM 0 HA THR A 36 0.057 -16.691 -17.384 1.00 50.43 H new ATOM 0 HB THR A 36 0.496 -13.797 -16.564 1.00 62.03 H new ATOM 0 HG1 THR A 36 2.382 -15.655 -17.698 1.00 34.12 H new ATOM 0 HG21 THR A 36 2.288 -14.679 -15.103 1.00 32.14 H new ATOM 0 HG22 THR A 36 0.687 -15.296 -14.628 1.00 32.14 H new ATOM 0 HG23 THR A 36 1.811 -16.339 -15.531 1.00 32.14 H new ATOM 572 N SER A 37 -2.241 -14.769 -16.002 1.00 43.20 N ATOM 573 CA SER A 37 -3.305 -14.744 -14.995 1.00 34.23 C ATOM 574 C SER A 37 -4.312 -15.884 -15.213 1.00 13.45 C ATOM 575 O SER A 37 -4.740 -16.537 -14.259 1.00 43.53 O ATOM 576 CB SER A 37 -4.030 -13.393 -15.015 1.00 33.11 C ATOM 577 OG SER A 37 -3.139 -12.331 -14.713 1.00 41.44 O ATOM 0 H SER A 37 -2.240 -13.968 -16.634 1.00 43.20 H new ATOM 0 HA SER A 37 -2.839 -14.885 -14.020 1.00 34.23 H new ATOM 0 HB2 SER A 37 -4.475 -13.230 -15.996 1.00 33.11 H new ATOM 0 HB3 SER A 37 -4.846 -13.404 -14.292 1.00 33.11 H new ATOM 0 HG SER A 37 -3.580 -11.474 -14.888 1.00 41.44 H new ATOM 583 N ARG A 38 -4.682 -16.129 -16.473 1.00 52.31 N ATOM 584 CA ARG A 38 -5.638 -17.197 -16.797 1.00 2.44 C ATOM 585 C ARG A 38 -5.031 -18.584 -16.548 1.00 4.52 C ATOM 586 O ARG A 38 -5.613 -19.406 -15.836 1.00 44.10 O ATOM 587 CB ARG A 38 -6.103 -17.109 -18.259 1.00 60.21 C ATOM 588 CG ARG A 38 -7.267 -18.052 -18.573 1.00 62.32 C ATOM 589 CD ARG A 38 -7.595 -18.106 -20.062 1.00 74.41 C ATOM 590 NE ARG A 38 -6.621 -18.892 -20.824 1.00 5.14 N ATOM 591 CZ ARG A 38 -6.780 -19.230 -22.077 1.00 55.14 C ATOM 592 NH1 ARG A 38 -7.848 -18.881 -22.718 1.00 44.03 N ATOM 593 NH2 ARG A 38 -5.883 -19.934 -22.685 1.00 11.43 N ATOM 0 H ARG A 38 -4.339 -15.609 -17.281 1.00 52.31 H new ATOM 0 HA ARG A 38 -6.497 -17.058 -16.140 1.00 2.44 H new ATOM 0 HB2 ARG A 38 -6.403 -16.084 -18.478 1.00 60.21 H new ATOM 0 HB3 ARG A 38 -5.265 -17.343 -18.916 1.00 60.21 H new ATOM 0 HG2 ARG A 38 -7.022 -19.055 -18.222 1.00 62.32 H new ATOM 0 HG3 ARG A 38 -8.150 -17.729 -18.022 1.00 62.32 H new ATOM 0 HD2 ARG A 38 -8.588 -18.535 -20.196 1.00 74.41 H new ATOM 0 HD3 ARG A 38 -7.629 -17.092 -20.460 1.00 74.41 H new ATOM 0 HE ARG A 38 -5.770 -19.193 -20.349 1.00 5.14 H new ATOM 0 HH11 ARG A 38 -8.572 -18.339 -22.246 1.00 44.03 H new ATOM 0 HH12 ARG A 38 -7.966 -19.148 -23.695 1.00 44.03 H new ATOM 0 HH21 ARG A 38 -5.043 -20.230 -22.187 1.00 11.43 H new ATOM 0 HH22 ARG A 38 -6.015 -20.194 -23.663 1.00 11.43 H new ATOM 607 N LYS A 39 -3.853 -18.832 -17.130 1.00 34.21 N ATOM 608 CA LYS A 39 -3.190 -20.137 -17.015 1.00 11.23 C ATOM 609 C LYS A 39 -3.014 -20.525 -15.537 1.00 61.24 C ATOM 610 O LYS A 39 -3.209 -21.683 -15.157 1.00 11.41 O ATOM 611 CB LYS A 39 -1.827 -20.123 -17.748 1.00 62.55 C ATOM 612 CG LYS A 39 -0.769 -19.227 -17.103 1.00 54.14 C ATOM 613 CD LYS A 39 0.453 -18.997 -18.005 1.00 1.34 C ATOM 614 CE LYS A 39 1.343 -20.229 -18.152 1.00 41.12 C ATOM 615 NZ LYS A 39 2.636 -19.896 -18.825 1.00 1.31 N ATOM 0 H LYS A 39 -3.339 -18.148 -17.685 1.00 34.21 H new ATOM 0 HA LYS A 39 -3.822 -20.887 -17.490 1.00 11.23 H new ATOM 0 HB2 LYS A 39 -1.443 -21.142 -17.794 1.00 62.55 H new ATOM 0 HB3 LYS A 39 -1.985 -19.795 -18.776 1.00 62.55 H new ATOM 0 HG2 LYS A 39 -1.217 -18.265 -16.856 1.00 54.14 H new ATOM 0 HG3 LYS A 39 -0.442 -19.677 -16.165 1.00 54.14 H new ATOM 0 HD2 LYS A 39 0.112 -18.685 -18.992 1.00 1.34 H new ATOM 0 HD3 LYS A 39 1.045 -18.177 -17.599 1.00 1.34 H new ATOM 0 HE2 LYS A 39 1.543 -20.654 -17.168 1.00 41.12 H new ATOM 0 HE3 LYS A 39 0.818 -20.991 -18.728 1.00 41.12 H new ATOM 0 HZ1 LYS A 39 3.332 -20.643 -18.628 1.00 1.31 H new ATOM 0 HZ2 LYS A 39 2.485 -19.825 -19.852 1.00 1.31 H new ATOM 0 HZ3 LYS A 39 2.991 -18.988 -18.464 1.00 1.31 H new ATOM 629 N ALA A 40 -2.674 -19.539 -14.704 1.00 74.33 N ATOM 630 CA ALA A 40 -2.529 -19.758 -13.263 1.00 14.41 C ATOM 631 C ALA A 40 -3.877 -20.086 -12.599 1.00 2.32 C ATOM 632 O ALA A 40 -4.012 -21.106 -11.926 1.00 3.24 O ATOM 633 CB ALA A 40 -1.889 -18.538 -12.606 1.00 64.41 C ATOM 0 H ALA A 40 -2.494 -18.581 -15.003 1.00 74.33 H new ATOM 0 HA ALA A 40 -1.877 -20.620 -13.120 1.00 14.41 H new ATOM 0 HB1 ALA A 40 -1.787 -18.713 -11.535 1.00 64.41 H new ATOM 0 HB2 ALA A 40 -0.905 -18.365 -13.041 1.00 64.41 H new ATOM 0 HB3 ALA A 40 -2.518 -17.663 -12.772 1.00 64.41 H new ATOM 639 N LEU A 41 -4.878 -19.231 -12.816 1.00 0.14 N ATOM 640 CA LEU A 41 -6.190 -19.385 -12.169 1.00 54.22 C ATOM 641 C LEU A 41 -6.865 -20.729 -12.514 1.00 64.14 C ATOM 642 O LEU A 41 -7.480 -21.366 -11.650 1.00 50.22 O ATOM 643 CB LEU A 41 -7.116 -18.223 -12.564 1.00 31.22 C ATOM 644 CG LEU A 41 -8.487 -18.211 -11.862 1.00 75.30 C ATOM 645 CD1 LEU A 41 -8.323 -18.046 -10.353 1.00 23.41 C ATOM 646 CD2 LEU A 41 -9.388 -17.117 -12.432 1.00 21.31 C ATOM 0 H LEU A 41 -4.809 -18.423 -13.435 1.00 0.14 H new ATOM 0 HA LEU A 41 -6.017 -19.373 -11.093 1.00 54.22 H new ATOM 0 HB2 LEU A 41 -6.607 -17.284 -12.348 1.00 31.22 H new ATOM 0 HB3 LEU A 41 -7.277 -18.258 -13.641 1.00 31.22 H new ATOM 0 HG LEU A 41 -8.967 -19.172 -12.050 1.00 75.30 H new ATOM 0 HD11 LEU A 41 -9.304 -18.040 -9.879 1.00 23.41 H new ATOM 0 HD12 LEU A 41 -7.734 -18.874 -9.958 1.00 23.41 H new ATOM 0 HD13 LEU A 41 -7.813 -17.106 -10.143 1.00 23.41 H new ATOM 0 HD21 LEU A 41 -10.349 -17.132 -11.918 1.00 21.31 H new ATOM 0 HD22 LEU A 41 -8.915 -16.145 -12.289 1.00 21.31 H new ATOM 0 HD23 LEU A 41 -9.544 -17.292 -13.497 1.00 21.31 H new ATOM 658 N GLU A 42 -6.762 -21.154 -13.773 1.00 4.20 N ATOM 659 CA GLU A 42 -7.378 -22.414 -14.202 1.00 64.22 C ATOM 660 C GLU A 42 -6.603 -23.630 -13.666 1.00 5.22 C ATOM 661 O GLU A 42 -7.202 -24.605 -13.210 1.00 53.02 O ATOM 662 CB GLU A 42 -7.500 -22.484 -15.735 1.00 21.33 C ATOM 663 CG GLU A 42 -6.171 -22.500 -16.485 1.00 23.03 C ATOM 664 CD GLU A 42 -6.357 -22.657 -17.987 1.00 75.24 C ATOM 665 OE1 GLU A 42 -6.552 -23.804 -18.447 1.00 71.45 O ATOM 666 OE2 GLU A 42 -6.342 -21.636 -18.710 1.00 5.04 O ATOM 0 H GLU A 42 -6.264 -20.652 -14.508 1.00 4.20 H new ATOM 0 HA GLU A 42 -8.383 -22.442 -13.780 1.00 64.22 H new ATOM 0 HB2 GLU A 42 -8.061 -23.380 -16.000 1.00 21.33 H new ATOM 0 HB3 GLU A 42 -8.084 -21.630 -16.078 1.00 21.33 H new ATOM 0 HG2 GLU A 42 -5.631 -21.575 -16.283 1.00 23.03 H new ATOM 0 HG3 GLU A 42 -5.555 -23.317 -16.110 1.00 23.03 H new ATOM 673 N THR A 43 -5.272 -23.567 -13.696 1.00 43.32 N ATOM 674 CA THR A 43 -4.446 -24.668 -13.179 1.00 50.00 C ATOM 675 C THR A 43 -4.552 -24.774 -11.649 1.00 32.00 C ATOM 676 O THR A 43 -4.536 -25.873 -11.093 1.00 45.42 O ATOM 677 CB THR A 43 -2.963 -24.519 -13.594 1.00 2.23 C ATOM 678 OG1 THR A 43 -2.867 -24.450 -15.023 1.00 43.14 O ATOM 679 CG2 THR A 43 -2.119 -25.690 -13.096 1.00 65.01 C ATOM 0 H THR A 43 -4.744 -22.777 -14.067 1.00 43.32 H new ATOM 0 HA THR A 43 -4.833 -25.585 -13.623 1.00 50.00 H new ATOM 0 HB THR A 43 -2.582 -23.603 -13.142 1.00 2.23 H new ATOM 0 HG1 THR A 43 -2.950 -23.517 -15.312 1.00 43.14 H new ATOM 0 HG21 THR A 43 -1.084 -25.550 -13.407 1.00 65.01 H new ATOM 0 HG22 THR A 43 -2.168 -25.737 -12.008 1.00 65.01 H new ATOM 0 HG23 THR A 43 -2.502 -26.620 -13.517 1.00 65.01 H new ATOM 687 N LEU A 44 -4.693 -23.630 -10.976 1.00 33.33 N ATOM 688 CA LEU A 44 -4.880 -23.601 -9.517 1.00 1.20 C ATOM 689 C LEU A 44 -6.095 -24.432 -9.079 1.00 10.43 C ATOM 690 O LEU A 44 -6.028 -25.163 -8.094 1.00 60.40 O ATOM 691 CB LEU A 44 -5.035 -22.154 -9.015 1.00 21.00 C ATOM 692 CG LEU A 44 -3.729 -21.352 -8.880 1.00 55.05 C ATOM 693 CD1 LEU A 44 -4.022 -19.905 -8.484 1.00 45.31 C ATOM 694 CD2 LEU A 44 -2.799 -22.010 -7.862 1.00 43.43 C ATOM 0 H LEU A 44 -4.682 -22.709 -11.415 1.00 33.33 H new ATOM 0 HA LEU A 44 -3.988 -24.043 -9.073 1.00 1.20 H new ATOM 0 HB2 LEU A 44 -5.698 -21.621 -9.697 1.00 21.00 H new ATOM 0 HB3 LEU A 44 -5.528 -22.177 -8.043 1.00 21.00 H new ATOM 0 HG LEU A 44 -3.230 -21.346 -9.849 1.00 55.05 H new ATOM 0 HD11 LEU A 44 -3.085 -19.356 -8.394 1.00 45.31 H new ATOM 0 HD12 LEU A 44 -4.645 -19.438 -9.247 1.00 45.31 H new ATOM 0 HD13 LEU A 44 -4.546 -19.888 -7.528 1.00 45.31 H new ATOM 0 HD21 LEU A 44 -1.880 -21.429 -7.780 1.00 43.43 H new ATOM 0 HD22 LEU A 44 -3.292 -22.049 -6.891 1.00 43.43 H new ATOM 0 HD23 LEU A 44 -2.560 -23.022 -8.188 1.00 43.43 H new ATOM 706 N ARG A 45 -7.213 -24.302 -9.791 1.00 65.32 N ATOM 707 CA ARG A 45 -8.411 -25.099 -9.485 1.00 34.03 C ATOM 708 C ARG A 45 -8.277 -26.529 -10.038 1.00 62.42 C ATOM 709 O ARG A 45 -8.775 -27.486 -9.447 1.00 42.24 O ATOM 710 CB ARG A 45 -9.673 -24.411 -10.034 1.00 3.44 C ATOM 711 CG ARG A 45 -9.765 -24.373 -11.557 1.00 13.13 C ATOM 712 CD ARG A 45 -10.922 -23.499 -12.031 1.00 53.02 C ATOM 713 NE ARG A 45 -10.681 -22.081 -11.757 1.00 12.44 N ATOM 714 CZ ARG A 45 -11.622 -21.184 -11.609 1.00 60.44 C ATOM 715 NH1 ARG A 45 -12.875 -21.509 -11.650 1.00 54.42 N ATOM 716 NH2 ARG A 45 -11.309 -19.950 -11.408 1.00 53.42 N ATOM 0 H ARG A 45 -7.320 -23.661 -10.577 1.00 65.32 H new ATOM 0 HA ARG A 45 -8.506 -25.169 -8.401 1.00 34.03 H new ATOM 0 HB2 ARG A 45 -10.551 -24.926 -9.643 1.00 3.44 H new ATOM 0 HB3 ARG A 45 -9.708 -23.389 -9.656 1.00 3.44 H new ATOM 0 HG2 ARG A 45 -8.830 -23.993 -11.969 1.00 13.13 H new ATOM 0 HG3 ARG A 45 -9.894 -25.386 -11.939 1.00 13.13 H new ATOM 0 HD2 ARG A 45 -11.071 -23.642 -13.101 1.00 53.02 H new ATOM 0 HD3 ARG A 45 -11.841 -23.813 -11.537 1.00 53.02 H new ATOM 0 HE ARG A 45 -9.713 -21.771 -11.676 1.00 12.44 H new ATOM 0 HH11 ARG A 45 -13.145 -22.481 -11.800 1.00 54.42 H new ATOM 0 HH12 ARG A 45 -13.592 -20.793 -11.532 1.00 54.42 H new ATOM 0 HH21 ARG A 45 -10.328 -19.673 -11.364 1.00 53.42 H new ATOM 0 HH22 ARG A 45 -12.042 -19.250 -11.293 1.00 53.42 H new ATOM 730 N ARG A 46 -7.576 -26.658 -11.166 1.00 24.42 N ATOM 731 CA ARG A 46 -7.319 -27.960 -11.796 1.00 20.25 C ATOM 732 C ARG A 46 -6.573 -28.917 -10.846 1.00 25.54 C ATOM 733 O ARG A 46 -6.924 -30.093 -10.731 1.00 64.54 O ATOM 734 CB ARG A 46 -6.516 -27.743 -13.087 1.00 70.52 C ATOM 735 CG ARG A 46 -6.050 -29.020 -13.779 1.00 75.22 C ATOM 736 CD ARG A 46 -5.350 -28.703 -15.097 1.00 12.21 C ATOM 737 NE ARG A 46 -4.793 -29.891 -15.741 1.00 54.25 N ATOM 738 CZ ARG A 46 -5.082 -30.270 -16.957 1.00 42.33 C ATOM 739 NH1 ARG A 46 -5.957 -29.622 -17.662 1.00 41.24 N ATOM 740 NH2 ARG A 46 -4.491 -31.301 -17.466 1.00 0.12 N ATOM 0 H ARG A 46 -7.171 -25.868 -11.669 1.00 24.42 H new ATOM 0 HA ARG A 46 -8.275 -28.427 -12.031 1.00 20.25 H new ATOM 0 HB2 ARG A 46 -7.127 -27.172 -13.785 1.00 70.52 H new ATOM 0 HB3 ARG A 46 -5.642 -27.134 -12.856 1.00 70.52 H new ATOM 0 HG2 ARG A 46 -5.371 -29.566 -13.124 1.00 75.22 H new ATOM 0 HG3 ARG A 46 -6.905 -29.670 -13.964 1.00 75.22 H new ATOM 0 HD2 ARG A 46 -6.059 -28.226 -15.774 1.00 12.21 H new ATOM 0 HD3 ARG A 46 -4.550 -27.985 -14.915 1.00 12.21 H new ATOM 0 HE ARG A 46 -4.137 -30.460 -15.207 1.00 54.25 H new ATOM 0 HH11 ARG A 46 -6.427 -28.807 -17.268 1.00 41.24 H new ATOM 0 HH12 ARG A 46 -6.175 -29.927 -18.611 1.00 41.24 H new ATOM 0 HH21 ARG A 46 -3.801 -31.816 -16.918 1.00 0.12 H new ATOM 0 HH22 ARG A 46 -4.714 -31.600 -18.415 1.00 0.12 H new ATOM 754 N VAL A 47 -5.544 -28.409 -10.169 1.00 64.53 N ATOM 755 CA VAL A 47 -4.820 -29.195 -9.160 1.00 74.25 C ATOM 756 C VAL A 47 -5.419 -28.989 -7.759 1.00 63.11 C ATOM 757 O VAL A 47 -5.445 -29.908 -6.938 1.00 25.01 O ATOM 758 CB VAL A 47 -3.308 -28.842 -9.132 1.00 20.21 C ATOM 759 CG1 VAL A 47 -2.663 -29.115 -10.490 1.00 73.13 C ATOM 760 CG2 VAL A 47 -3.083 -27.390 -8.706 1.00 53.34 C ATOM 0 H VAL A 47 -5.191 -27.461 -10.297 1.00 64.53 H new ATOM 0 HA VAL A 47 -4.927 -30.242 -9.444 1.00 74.25 H new ATOM 0 HB VAL A 47 -2.831 -29.483 -8.391 1.00 20.21 H new ATOM 0 HG11 VAL A 47 -1.604 -28.861 -10.448 1.00 73.13 H new ATOM 0 HG12 VAL A 47 -2.773 -30.170 -10.739 1.00 73.13 H new ATOM 0 HG13 VAL A 47 -3.151 -28.509 -11.253 1.00 73.13 H new ATOM 0 HG21 VAL A 47 -2.014 -27.175 -8.697 1.00 53.34 H new ATOM 0 HG22 VAL A 47 -3.581 -26.723 -9.410 1.00 53.34 H new ATOM 0 HG23 VAL A 47 -3.493 -27.236 -7.708 1.00 53.34 H new ATOM 770 N GLY A 48 -5.923 -27.781 -7.507 1.00 1.44 N ATOM 771 CA GLY A 48 -6.477 -27.439 -6.201 1.00 43.32 C ATOM 772 C GLY A 48 -7.644 -28.324 -5.778 1.00 60.34 C ATOM 773 O GLY A 48 -7.828 -28.579 -4.590 1.00 61.21 O ATOM 0 H GLY A 48 -5.958 -27.025 -8.191 1.00 1.44 H new ATOM 0 HA2 GLY A 48 -5.688 -27.511 -5.452 1.00 43.32 H new ATOM 0 HA3 GLY A 48 -6.808 -26.401 -6.217 1.00 43.32 H new ATOM 777 N ASP A 49 -8.439 -28.784 -6.745 1.00 74.53 N ATOM 778 CA ASP A 49 -9.552 -29.698 -6.463 1.00 64.30 C ATOM 779 C ASP A 49 -9.066 -30.927 -5.673 1.00 13.14 C ATOM 780 O ASP A 49 -9.555 -31.212 -4.581 1.00 2.03 O ATOM 781 CB ASP A 49 -10.218 -30.139 -7.773 1.00 23.32 C ATOM 782 CG ASP A 49 -11.413 -31.051 -7.541 1.00 13.30 C ATOM 783 OD1 ASP A 49 -11.218 -32.276 -7.407 1.00 31.32 O ATOM 784 OD2 ASP A 49 -12.555 -30.550 -7.483 1.00 12.33 O ATOM 0 H ASP A 49 -8.335 -28.540 -7.730 1.00 74.53 H new ATOM 0 HA ASP A 49 -10.284 -29.169 -5.853 1.00 64.30 H new ATOM 0 HB2 ASP A 49 -10.540 -29.258 -8.328 1.00 23.32 H new ATOM 0 HB3 ASP A 49 -9.486 -30.656 -8.393 1.00 23.32 H new ATOM 789 N GLY A 50 -8.090 -31.641 -6.233 1.00 14.04 N ATOM 790 CA GLY A 50 -7.529 -32.808 -5.558 1.00 21.42 C ATOM 791 C GLY A 50 -6.742 -32.450 -4.298 1.00 3.23 C ATOM 792 O GLY A 50 -6.890 -33.097 -3.257 1.00 32.31 O ATOM 0 H GLY A 50 -7.676 -31.434 -7.142 1.00 14.04 H new ATOM 0 HA2 GLY A 50 -8.337 -33.490 -5.293 1.00 21.42 H new ATOM 0 HA3 GLY A 50 -6.875 -33.341 -6.249 1.00 21.42 H new ATOM 796 N VAL A 51 -5.917 -31.405 -4.388 1.00 22.35 N ATOM 797 CA VAL A 51 -5.078 -30.969 -3.262 1.00 15.15 C ATOM 798 C VAL A 51 -5.913 -30.640 -2.014 1.00 24.42 C ATOM 799 O VAL A 51 -5.585 -31.074 -0.909 1.00 74.13 O ATOM 800 CB VAL A 51 -4.214 -29.736 -3.650 1.00 74.43 C ATOM 801 CG1 VAL A 51 -3.464 -29.182 -2.438 1.00 63.44 C ATOM 802 CG2 VAL A 51 -3.235 -30.096 -4.767 1.00 45.20 C ATOM 0 H VAL A 51 -5.809 -30.841 -5.231 1.00 22.35 H new ATOM 0 HA VAL A 51 -4.421 -31.805 -3.023 1.00 15.15 H new ATOM 0 HB VAL A 51 -4.886 -28.958 -4.013 1.00 74.43 H new ATOM 0 HG11 VAL A 51 -2.869 -28.321 -2.741 1.00 63.44 H new ATOM 0 HG12 VAL A 51 -4.180 -28.878 -1.675 1.00 63.44 H new ATOM 0 HG13 VAL A 51 -2.808 -29.952 -2.033 1.00 63.44 H new ATOM 0 HG21 VAL A 51 -2.639 -29.220 -5.025 1.00 45.20 H new ATOM 0 HG22 VAL A 51 -2.577 -30.896 -4.430 1.00 45.20 H new ATOM 0 HG23 VAL A 51 -3.790 -30.428 -5.644 1.00 45.20 H new ATOM 812 N GLN A 52 -6.999 -29.893 -2.194 1.00 75.13 N ATOM 813 CA GLN A 52 -7.867 -29.519 -1.072 1.00 43.54 C ATOM 814 C GLN A 52 -8.514 -30.747 -0.415 1.00 62.15 C ATOM 815 O GLN A 52 -8.812 -30.729 0.772 1.00 3.11 O ATOM 816 CB GLN A 52 -8.949 -28.533 -1.530 1.00 11.12 C ATOM 817 CG GLN A 52 -8.403 -27.165 -1.927 1.00 51.11 C ATOM 818 CD GLN A 52 -9.483 -26.237 -2.457 1.00 52.04 C ATOM 819 OE1 GLN A 52 -9.717 -26.278 -3.753 1.00 63.43 O flip ATOM 820 NE2 GLN A 52 -10.104 -25.491 -1.708 1.00 34.32 N flip ATOM 0 H GLN A 52 -7.301 -29.534 -3.100 1.00 75.13 H new ATOM 0 HA GLN A 52 -7.238 -29.035 -0.325 1.00 43.54 H new ATOM 0 HB2 GLN A 52 -9.483 -28.961 -2.378 1.00 11.12 H new ATOM 0 HB3 GLN A 52 -9.675 -28.406 -0.727 1.00 11.12 H new ATOM 0 HG2 GLN A 52 -7.925 -26.704 -1.063 1.00 51.11 H new ATOM 0 HG3 GLN A 52 -7.633 -27.292 -2.688 1.00 51.11 H new ATOM 0 HE21 GLN A 52 -9.898 -25.484 -0.709 1.00 34.32 H new ATOM 0 HE22 GLN A 52 -10.827 -24.877 -2.084 1.00 34.32 H new ATOM 829 N ARG A 53 -8.715 -31.818 -1.185 1.00 45.45 N ATOM 830 CA ARG A 53 -9.312 -33.048 -0.645 1.00 73.21 C ATOM 831 C ARG A 53 -8.356 -33.755 0.331 1.00 74.41 C ATOM 832 O ARG A 53 -8.729 -34.054 1.467 1.00 53.20 O ATOM 833 CB ARG A 53 -9.714 -34.010 -1.775 1.00 55.34 C ATOM 834 CG ARG A 53 -10.690 -33.404 -2.778 1.00 32.21 C ATOM 835 CD ARG A 53 -11.116 -34.413 -3.839 1.00 70.04 C ATOM 836 NE ARG A 53 -11.789 -33.775 -4.969 1.00 15.32 N ATOM 837 CZ ARG A 53 -13.004 -34.049 -5.360 1.00 41.11 C ATOM 838 NH1 ARG A 53 -13.742 -34.889 -4.706 1.00 25.05 N ATOM 839 NH2 ARG A 53 -13.482 -33.468 -6.408 1.00 1.14 N ATOM 0 H ARG A 53 -8.477 -31.862 -2.176 1.00 45.45 H new ATOM 0 HA ARG A 53 -10.209 -32.757 -0.098 1.00 73.21 H new ATOM 0 HB2 ARG A 53 -8.816 -34.331 -2.303 1.00 55.34 H new ATOM 0 HB3 ARG A 53 -10.163 -34.902 -1.338 1.00 55.34 H new ATOM 0 HG2 ARG A 53 -11.571 -33.038 -2.251 1.00 32.21 H new ATOM 0 HG3 ARG A 53 -10.227 -32.544 -3.261 1.00 32.21 H new ATOM 0 HD2 ARG A 53 -10.239 -34.952 -4.198 1.00 70.04 H new ATOM 0 HD3 ARG A 53 -11.782 -35.150 -3.390 1.00 70.04 H new ATOM 0 HE ARG A 53 -11.273 -33.065 -5.489 1.00 15.32 H new ATOM 0 HH11 ARG A 53 -13.376 -35.348 -3.872 1.00 25.05 H new ATOM 0 HH12 ARG A 53 -14.689 -35.092 -5.025 1.00 25.05 H new ATOM 0 HH21 ARG A 53 -12.911 -32.799 -6.925 1.00 1.14 H new ATOM 0 HH22 ARG A 53 -14.431 -33.677 -6.719 1.00 1.14 H new ATOM 853 N ASN A 54 -7.120 -34.010 -0.106 1.00 70.21 N ATOM 854 CA ASN A 54 -6.128 -34.674 0.756 1.00 25.42 C ATOM 855 C ASN A 54 -5.583 -33.723 1.838 1.00 42.44 C ATOM 856 O ASN A 54 -5.091 -34.165 2.877 1.00 73.30 O ATOM 857 CB ASN A 54 -4.982 -35.272 -0.076 1.00 52.21 C ATOM 858 CG ASN A 54 -4.282 -34.259 -0.959 1.00 31.13 C ATOM 859 OD1 ASN A 54 -4.711 -34.159 -2.199 1.00 51.02 O flip ATOM 860 ND2 ASN A 54 -3.354 -33.584 -0.539 1.00 35.40 N flip ATOM 0 H ASN A 54 -6.781 -33.772 -1.038 1.00 70.21 H new ATOM 0 HA ASN A 54 -6.639 -35.490 1.266 1.00 25.42 H new ATOM 0 HB2 ASN A 54 -4.252 -35.721 0.597 1.00 52.21 H new ATOM 0 HB3 ASN A 54 -5.377 -36.074 -0.700 1.00 52.21 H new ATOM 0 HD21 ASN A 54 -3.046 -33.686 0.428 1.00 35.40 H new ATOM 0 HD22 ASN A 54 -2.887 -32.919 -1.155 1.00 35.40 H new ATOM 867 N HIS A 55 -5.670 -32.416 1.587 1.00 34.21 N ATOM 868 CA HIS A 55 -5.319 -31.404 2.596 1.00 72.22 C ATOM 869 C HIS A 55 -6.483 -31.147 3.569 1.00 4.10 C ATOM 870 O HIS A 55 -6.268 -30.683 4.688 1.00 4.10 O ATOM 871 CB HIS A 55 -4.916 -30.083 1.925 1.00 35.23 C ATOM 872 CG HIS A 55 -3.550 -30.094 1.310 1.00 43.14 C ATOM 873 ND1 HIS A 55 -2.787 -31.112 0.854 1.00 60.42 N flip ATOM 874 CD2 HIS A 55 -2.809 -28.948 1.109 1.00 2.23 C flip ATOM 875 CE1 HIS A 55 -1.615 -30.567 0.394 1.00 45.24 C flip ATOM 876 NE2 HIS A 55 -1.655 -29.263 0.560 1.00 72.34 N flip ATOM 0 H HIS A 55 -5.980 -32.029 0.696 1.00 34.21 H new ATOM 0 HA HIS A 55 -4.474 -31.796 3.162 1.00 72.22 H new ATOM 0 HB2 HIS A 55 -5.647 -29.844 1.153 1.00 35.23 H new ATOM 0 HB3 HIS A 55 -4.962 -29.284 2.666 1.00 35.23 H new ATOM 0 HD2 HIS A 55 -3.127 -27.947 1.363 1.00 2.23 H new ATOM 0 HE1 HIS A 55 -0.792 -31.120 -0.035 1.00 45.24 H new ATOM 0 HE2 HIS A 55 -0.917 -28.607 0.306 1.00 72.34 H new ATOM 885 N GLU A 56 -7.706 -31.458 3.135 1.00 11.24 N ATOM 886 CA GLU A 56 -8.918 -31.198 3.930 1.00 43.12 C ATOM 887 C GLU A 56 -8.798 -31.740 5.358 1.00 31.32 C ATOM 888 O GLU A 56 -8.932 -30.994 6.325 1.00 22.41 O ATOM 889 CB GLU A 56 -10.141 -31.827 3.241 1.00 20.44 C ATOM 890 CG GLU A 56 -11.448 -31.669 4.013 1.00 23.14 C ATOM 891 CD GLU A 56 -12.624 -32.320 3.303 1.00 74.03 C ATOM 892 OE1 GLU A 56 -12.771 -33.557 3.401 1.00 62.11 O ATOM 893 OE2 GLU A 56 -13.405 -31.603 2.647 1.00 64.40 O ATOM 0 H GLU A 56 -7.889 -31.894 2.231 1.00 11.24 H new ATOM 0 HA GLU A 56 -9.040 -30.117 3.994 1.00 43.12 H new ATOM 0 HB2 GLU A 56 -10.259 -31.378 2.255 1.00 20.44 H new ATOM 0 HB3 GLU A 56 -9.950 -32.889 3.087 1.00 20.44 H new ATOM 0 HG2 GLU A 56 -11.337 -32.109 5.004 1.00 23.14 H new ATOM 0 HG3 GLU A 56 -11.656 -30.609 4.157 1.00 23.14 H new ATOM 900 N THR A 57 -8.530 -33.037 5.481 1.00 41.23 N ATOM 901 CA THR A 57 -8.424 -33.688 6.795 1.00 71.41 C ATOM 902 C THR A 57 -7.399 -32.992 7.708 1.00 31.11 C ATOM 903 O THR A 57 -7.624 -32.856 8.913 1.00 72.20 O ATOM 904 CB THR A 57 -8.055 -35.186 6.663 1.00 21.01 C ATOM 905 OG1 THR A 57 -7.968 -35.787 7.964 1.00 11.01 O ATOM 906 CG2 THR A 57 -6.733 -35.371 5.920 1.00 22.25 C ATOM 0 H THR A 57 -8.381 -33.663 4.690 1.00 41.23 H new ATOM 0 HA THR A 57 -9.410 -33.602 7.252 1.00 71.41 H new ATOM 0 HB THR A 57 -8.840 -35.675 6.086 1.00 21.01 H new ATOM 0 HG1 THR A 57 -7.736 -36.735 7.872 1.00 11.01 H new ATOM 0 HG21 THR A 57 -6.504 -36.434 5.845 1.00 22.25 H new ATOM 0 HG22 THR A 57 -6.815 -34.946 4.920 1.00 22.25 H new ATOM 0 HG23 THR A 57 -5.936 -34.865 6.465 1.00 22.25 H new ATOM 914 N ALA A 58 -6.290 -32.534 7.126 1.00 70.24 N ATOM 915 CA ALA A 58 -5.232 -31.859 7.889 1.00 55.42 C ATOM 916 C ALA A 58 -5.652 -30.440 8.306 1.00 30.34 C ATOM 917 O ALA A 58 -5.468 -30.037 9.460 1.00 24.31 O ATOM 918 CB ALA A 58 -3.946 -31.809 7.069 1.00 24.14 C ATOM 0 H ALA A 58 -6.098 -32.617 6.128 1.00 70.24 H new ATOM 0 HA ALA A 58 -5.057 -32.433 8.799 1.00 55.42 H new ATOM 0 HB1 ALA A 58 -3.168 -31.307 7.643 1.00 24.14 H new ATOM 0 HB2 ALA A 58 -3.625 -32.824 6.833 1.00 24.14 H new ATOM 0 HB3 ALA A 58 -4.125 -31.261 6.144 1.00 24.14 H new ATOM 924 N PHE A 59 -6.218 -29.689 7.360 1.00 72.43 N ATOM 925 CA PHE A 59 -6.671 -28.318 7.620 1.00 61.41 C ATOM 926 C PHE A 59 -7.819 -28.281 8.639 1.00 4.31 C ATOM 927 O PHE A 59 -7.853 -27.403 9.504 1.00 50.42 O ATOM 928 CB PHE A 59 -7.110 -27.632 6.318 1.00 4.10 C ATOM 929 CG PHE A 59 -5.991 -27.351 5.343 1.00 64.12 C ATOM 930 CD1 PHE A 59 -4.668 -27.284 5.766 1.00 72.12 C ATOM 931 CD2 PHE A 59 -6.269 -27.133 4.000 1.00 11.14 C ATOM 932 CE1 PHE A 59 -3.652 -27.009 4.870 1.00 44.34 C ATOM 933 CE2 PHE A 59 -5.256 -26.859 3.103 1.00 1.14 C ATOM 934 CZ PHE A 59 -3.946 -26.796 3.538 1.00 4.04 C ATOM 0 H PHE A 59 -6.375 -30.007 6.403 1.00 72.43 H new ATOM 0 HA PHE A 59 -5.824 -27.776 8.042 1.00 61.41 H new ATOM 0 HB2 PHE A 59 -7.853 -28.259 5.826 1.00 4.10 H new ATOM 0 HB3 PHE A 59 -7.601 -26.691 6.567 1.00 4.10 H new ATOM 0 HD1 PHE A 59 -4.432 -27.449 6.807 1.00 72.12 H new ATOM 0 HD2 PHE A 59 -7.291 -27.178 3.653 1.00 11.14 H new ATOM 0 HE1 PHE A 59 -2.629 -26.961 5.212 1.00 44.34 H new ATOM 0 HE2 PHE A 59 -5.487 -26.694 2.061 1.00 1.14 H new ATOM 0 HZ PHE A 59 -3.153 -26.580 2.837 1.00 4.04 H new ATOM 944 N GLN A 60 -8.751 -29.236 8.533 1.00 74.15 N ATOM 945 CA GLN A 60 -9.879 -29.340 9.476 1.00 13.21 C ATOM 946 C GLN A 60 -9.412 -29.176 10.931 1.00 32.21 C ATOM 947 O GLN A 60 -9.899 -28.307 11.655 1.00 0.42 O ATOM 948 CB GLN A 60 -10.592 -30.697 9.324 1.00 4.11 C ATOM 949 CG GLN A 60 -11.421 -30.845 8.052 1.00 22.44 C ATOM 950 CD GLN A 60 -12.660 -29.964 8.035 1.00 72.20 C ATOM 951 OE1 GLN A 60 -13.232 -29.642 9.073 1.00 71.23 O ATOM 952 NE2 GLN A 60 -13.101 -29.591 6.853 1.00 2.33 N ATOM 0 H GLN A 60 -8.749 -29.950 7.804 1.00 74.15 H new ATOM 0 HA GLN A 60 -10.573 -28.534 9.238 1.00 13.21 H new ATOM 0 HB2 GLN A 60 -9.844 -31.489 9.348 1.00 4.11 H new ATOM 0 HB3 GLN A 60 -11.243 -30.848 10.185 1.00 4.11 H new ATOM 0 HG2 GLN A 60 -10.799 -30.601 7.191 1.00 22.44 H new ATOM 0 HG3 GLN A 60 -11.723 -31.887 7.943 1.00 22.44 H new ATOM 0 HE21 GLN A 60 -12.603 -29.875 6.010 1.00 2.33 H new ATOM 0 HE22 GLN A 60 -13.941 -29.017 6.780 1.00 2.33 H new ATOM 961 N GLY A 61 -8.445 -30.002 11.335 1.00 62.13 N ATOM 962 CA GLY A 61 -7.925 -29.965 12.701 1.00 64.33 C ATOM 963 C GLY A 61 -7.456 -28.582 13.149 1.00 24.32 C ATOM 964 O GLY A 61 -7.602 -28.221 14.319 1.00 50.11 O ATOM 0 H GLY A 61 -8.008 -30.703 10.737 1.00 62.13 H new ATOM 0 HA2 GLY A 61 -8.700 -30.313 13.384 1.00 64.33 H new ATOM 0 HA3 GLY A 61 -7.092 -30.664 12.781 1.00 64.33 H new ATOM 968 N MET A 62 -6.894 -27.797 12.229 1.00 63.34 N ATOM 969 CA MET A 62 -6.431 -26.444 12.564 1.00 12.23 C ATOM 970 C MET A 62 -7.600 -25.450 12.605 1.00 52.34 C ATOM 971 O MET A 62 -7.699 -24.641 13.525 1.00 11.35 O ATOM 972 CB MET A 62 -5.357 -25.961 11.577 1.00 14.03 C ATOM 973 CG MET A 62 -4.099 -26.821 11.574 1.00 21.04 C ATOM 974 SD MET A 62 -2.679 -25.991 10.826 1.00 41.21 S ATOM 975 CE MET A 62 -3.316 -25.594 9.200 1.00 23.22 C ATOM 0 H MET A 62 -6.748 -28.068 11.256 1.00 63.34 H new ATOM 0 HA MET A 62 -5.986 -26.492 13.558 1.00 12.23 H new ATOM 0 HB2 MET A 62 -5.779 -25.946 10.572 1.00 14.03 H new ATOM 0 HB3 MET A 62 -5.085 -24.935 11.823 1.00 14.03 H new ATOM 0 HG2 MET A 62 -3.853 -27.098 12.599 1.00 21.04 H new ATOM 0 HG3 MET A 62 -4.299 -27.746 11.033 1.00 21.04 H new ATOM 0 HE1 MET A 62 -2.517 -25.175 8.589 1.00 23.22 H new ATOM 0 HE2 MET A 62 -3.697 -26.499 8.728 1.00 23.22 H new ATOM 0 HE3 MET A 62 -4.122 -24.866 9.293 1.00 23.22 H new ATOM 985 N LEU A 63 -8.492 -25.524 11.617 1.00 61.03 N ATOM 986 CA LEU A 63 -9.667 -24.639 11.561 1.00 35.45 C ATOM 987 C LEU A 63 -10.550 -24.788 12.811 1.00 3.33 C ATOM 988 O LEU A 63 -11.171 -23.822 13.256 1.00 40.12 O ATOM 989 CB LEU A 63 -10.493 -24.910 10.291 1.00 22.23 C ATOM 990 CG LEU A 63 -10.062 -24.129 9.033 1.00 71.44 C ATOM 991 CD1 LEU A 63 -8.597 -24.382 8.692 1.00 70.13 C ATOM 992 CD2 LEU A 63 -10.959 -24.481 7.849 1.00 24.12 C ATOM 0 H LEU A 63 -8.428 -26.185 10.843 1.00 61.03 H new ATOM 0 HA LEU A 63 -9.300 -23.613 11.531 1.00 35.45 H new ATOM 0 HB2 LEU A 63 -10.444 -25.976 10.069 1.00 22.23 H new ATOM 0 HB3 LEU A 63 -11.536 -24.676 10.502 1.00 22.23 H new ATOM 0 HG LEU A 63 -10.172 -23.066 9.249 1.00 71.44 H new ATOM 0 HD11 LEU A 63 -8.328 -23.816 7.800 1.00 70.13 H new ATOM 0 HD12 LEU A 63 -7.970 -24.066 9.525 1.00 70.13 H new ATOM 0 HD13 LEU A 63 -8.445 -25.445 8.506 1.00 70.13 H new ATOM 0 HD21 LEU A 63 -10.639 -23.920 6.971 1.00 24.12 H new ATOM 0 HD22 LEU A 63 -10.887 -25.549 7.643 1.00 24.12 H new ATOM 0 HD23 LEU A 63 -11.992 -24.226 8.086 1.00 24.12 H new ATOM 1004 N ARG A 64 -10.596 -26.000 13.365 1.00 12.53 N ATOM 1005 CA ARG A 64 -11.326 -26.265 14.614 1.00 50.43 C ATOM 1006 C ARG A 64 -10.776 -25.417 15.775 1.00 23.42 C ATOM 1007 O ARG A 64 -11.517 -24.983 16.660 1.00 52.31 O ATOM 1008 CB ARG A 64 -11.231 -27.757 14.969 1.00 70.44 C ATOM 1009 CG ARG A 64 -11.835 -28.678 13.913 1.00 55.03 C ATOM 1010 CD ARG A 64 -11.729 -30.150 14.308 1.00 34.13 C ATOM 1011 NE ARG A 64 -12.369 -30.416 15.590 1.00 23.25 N ATOM 1012 CZ ARG A 64 -12.319 -31.555 16.220 1.00 63.12 C ATOM 1013 NH1 ARG A 64 -11.730 -32.583 15.696 1.00 51.50 N ATOM 1014 NH2 ARG A 64 -12.880 -31.665 17.376 1.00 24.00 N ATOM 0 H ARG A 64 -10.135 -26.820 12.970 1.00 12.53 H new ATOM 0 HA ARG A 64 -12.370 -25.991 14.459 1.00 50.43 H new ATOM 0 HB2 ARG A 64 -10.183 -28.021 15.113 1.00 70.44 H new ATOM 0 HB3 ARG A 64 -11.736 -27.928 15.920 1.00 70.44 H new ATOM 0 HG2 ARG A 64 -12.883 -28.418 13.762 1.00 55.03 H new ATOM 0 HG3 ARG A 64 -11.327 -28.521 12.962 1.00 55.03 H new ATOM 0 HD2 ARG A 64 -12.190 -30.767 13.537 1.00 34.13 H new ATOM 0 HD3 ARG A 64 -10.679 -30.437 14.360 1.00 34.13 H new ATOM 0 HE ARG A 64 -12.893 -29.657 16.025 1.00 23.25 H new ATOM 0 HH11 ARG A 64 -11.296 -32.508 14.776 1.00 51.50 H new ATOM 0 HH12 ARG A 64 -11.700 -33.467 16.203 1.00 51.50 H new ATOM 0 HH21 ARG A 64 -13.358 -30.864 17.789 1.00 24.00 H new ATOM 0 HH22 ARG A 64 -12.846 -32.553 17.877 1.00 24.00 H new ATOM 1028 N LYS A 65 -9.465 -25.193 15.762 1.00 3.41 N ATOM 1029 CA LYS A 65 -8.807 -24.349 16.767 1.00 3.05 C ATOM 1030 C LYS A 65 -8.894 -22.863 16.386 1.00 24.51 C ATOM 1031 O LYS A 65 -9.093 -21.996 17.241 1.00 15.21 O ATOM 1032 CB LYS A 65 -7.335 -24.763 16.915 1.00 23.33 C ATOM 1033 CG LYS A 65 -7.143 -26.221 17.320 1.00 62.21 C ATOM 1034 CD LYS A 65 -7.783 -26.523 18.674 1.00 1.43 C ATOM 1035 CE LYS A 65 -7.519 -27.954 19.126 1.00 40.25 C ATOM 1036 NZ LYS A 65 -8.044 -28.204 20.493 1.00 33.25 N ATOM 0 H LYS A 65 -8.831 -25.584 15.065 1.00 3.41 H new ATOM 0 HA LYS A 65 -9.322 -24.488 17.717 1.00 3.05 H new ATOM 0 HB2 LYS A 65 -6.821 -24.588 15.970 1.00 23.33 H new ATOM 0 HB3 LYS A 65 -6.861 -24.123 17.659 1.00 23.33 H new ATOM 0 HG2 LYS A 65 -7.578 -26.870 16.560 1.00 62.21 H new ATOM 0 HG3 LYS A 65 -6.078 -26.449 17.362 1.00 62.21 H new ATOM 0 HD2 LYS A 65 -7.395 -25.830 19.421 1.00 1.43 H new ATOM 0 HD3 LYS A 65 -8.858 -26.355 18.612 1.00 1.43 H new ATOM 0 HE2 LYS A 65 -7.983 -28.648 18.425 1.00 40.25 H new ATOM 0 HE3 LYS A 65 -6.447 -28.150 19.106 1.00 40.25 H new ATOM 0 HZ1 LYS A 65 -7.846 -29.188 20.766 1.00 33.25 H new ATOM 0 HZ2 LYS A 65 -7.583 -27.558 21.165 1.00 33.25 H new ATOM 0 HZ3 LYS A 65 -9.071 -28.041 20.506 1.00 33.25 H new ATOM 1050 N LEU A 66 -8.747 -22.583 15.092 1.00 44.33 N ATOM 1051 CA LEU A 66 -8.779 -21.212 14.576 1.00 71.20 C ATOM 1052 C LEU A 66 -10.187 -20.600 14.666 1.00 75.01 C ATOM 1053 O LEU A 66 -10.471 -19.811 15.567 1.00 1.34 O ATOM 1054 CB LEU A 66 -8.292 -21.188 13.116 1.00 34.43 C ATOM 1055 CG LEU A 66 -6.833 -21.625 12.898 1.00 12.41 C ATOM 1056 CD1 LEU A 66 -6.535 -21.793 11.409 1.00 50.33 C ATOM 1057 CD2 LEU A 66 -5.874 -20.620 13.530 1.00 3.15 C ATOM 0 H LEU A 66 -8.603 -23.294 14.375 1.00 44.33 H new ATOM 0 HA LEU A 66 -8.114 -20.610 15.196 1.00 71.20 H new ATOM 0 HB2 LEU A 66 -8.939 -21.836 12.525 1.00 34.43 H new ATOM 0 HB3 LEU A 66 -8.412 -20.177 12.728 1.00 34.43 H new ATOM 0 HG LEU A 66 -6.688 -22.590 13.383 1.00 12.41 H new ATOM 0 HD11 LEU A 66 -5.498 -22.102 11.278 1.00 50.33 H new ATOM 0 HD12 LEU A 66 -7.196 -22.551 10.989 1.00 50.33 H new ATOM 0 HD13 LEU A 66 -6.698 -20.845 10.896 1.00 50.33 H new ATOM 0 HD21 LEU A 66 -4.847 -20.945 13.366 1.00 3.15 H new ATOM 0 HD22 LEU A 66 -6.022 -19.641 13.075 1.00 3.15 H new ATOM 0 HD23 LEU A 66 -6.068 -20.556 14.601 1.00 3.15 H new ATOM 1069 N ASP A 67 -11.067 -21.006 13.745 1.00 61.44 N ATOM 1070 CA ASP A 67 -12.396 -20.400 13.586 1.00 52.31 C ATOM 1071 C ASP A 67 -12.322 -18.860 13.660 1.00 74.32 C ATOM 1072 O ASP A 67 -12.497 -18.261 14.722 1.00 21.10 O ATOM 1073 CB ASP A 67 -13.376 -20.957 14.623 1.00 31.33 C ATOM 1074 CG ASP A 67 -14.819 -20.681 14.244 1.00 62.42 C ATOM 1075 OD1 ASP A 67 -15.401 -21.494 13.497 1.00 21.42 O ATOM 1076 OD2 ASP A 67 -15.378 -19.657 14.686 1.00 63.31 O ATOM 0 H ASP A 67 -10.880 -21.764 13.088 1.00 61.44 H new ATOM 0 HA ASP A 67 -12.768 -20.663 12.596 1.00 52.31 H new ATOM 0 HB2 ASP A 67 -13.226 -22.032 14.723 1.00 31.33 H new ATOM 0 HB3 ASP A 67 -13.165 -20.514 15.596 1.00 31.33 H new ATOM 1081 N ILE A 68 -12.042 -18.238 12.519 1.00 34.04 N ATOM 1082 CA ILE A 68 -11.810 -16.791 12.445 1.00 2.53 C ATOM 1083 C ILE A 68 -13.036 -15.989 12.919 1.00 5.34 C ATOM 1084 O ILE A 68 -14.048 -15.912 12.224 1.00 21.04 O ATOM 1085 CB ILE A 68 -11.419 -16.358 10.999 1.00 30.02 C ATOM 1086 CG1 ILE A 68 -10.011 -16.874 10.617 1.00 35.24 C ATOM 1087 CG2 ILE A 68 -11.483 -14.837 10.844 1.00 14.24 C ATOM 1088 CD1 ILE A 68 -9.867 -18.386 10.587 1.00 30.01 C ATOM 0 H ILE A 68 -11.969 -18.716 11.621 1.00 34.04 H new ATOM 0 HA ILE A 68 -10.980 -16.570 13.116 1.00 2.53 H new ATOM 0 HB ILE A 68 -12.143 -16.807 10.319 1.00 30.02 H new ATOM 0 HG12 ILE A 68 -9.750 -16.480 9.635 1.00 35.24 H new ATOM 0 HG13 ILE A 68 -9.288 -16.469 11.325 1.00 35.24 H new ATOM 0 HG21 ILE A 68 -11.206 -14.563 9.826 1.00 14.24 H new ATOM 0 HG22 ILE A 68 -12.497 -14.493 11.049 1.00 14.24 H new ATOM 0 HG23 ILE A 68 -10.792 -14.370 11.546 1.00 14.24 H new ATOM 0 HD11 ILE A 68 -8.846 -18.649 10.309 1.00 30.01 H new ATOM 0 HD12 ILE A 68 -10.091 -18.792 11.573 1.00 30.01 H new ATOM 0 HD13 ILE A 68 -10.560 -18.803 9.857 1.00 30.01 H new ATOM 1100 N LYS A 69 -12.935 -15.398 14.110 1.00 61.44 N ATOM 1101 CA LYS A 69 -14.031 -14.604 14.686 1.00 40.41 C ATOM 1102 C LYS A 69 -13.758 -13.088 14.603 1.00 23.33 C ATOM 1103 O LYS A 69 -14.621 -12.276 14.942 1.00 51.14 O ATOM 1104 CB LYS A 69 -14.297 -15.047 16.140 1.00 71.42 C ATOM 1105 CG LYS A 69 -13.071 -15.015 17.060 1.00 33.30 C ATOM 1106 CD LYS A 69 -12.875 -13.660 17.740 1.00 42.43 C ATOM 1107 CE LYS A 69 -14.039 -13.318 18.666 1.00 35.45 C ATOM 1108 NZ LYS A 69 -13.802 -12.060 19.415 1.00 51.32 N ATOM 0 H LYS A 69 -12.104 -15.452 14.699 1.00 61.44 H new ATOM 0 HA LYS A 69 -14.926 -14.790 14.093 1.00 40.41 H new ATOM 0 HB2 LYS A 69 -15.068 -14.405 16.565 1.00 71.42 H new ATOM 0 HB3 LYS A 69 -14.697 -16.061 16.128 1.00 71.42 H new ATOM 0 HG2 LYS A 69 -13.174 -15.787 17.822 1.00 33.30 H new ATOM 0 HG3 LYS A 69 -12.181 -15.257 16.480 1.00 33.30 H new ATOM 0 HD2 LYS A 69 -11.947 -13.671 18.311 1.00 42.43 H new ATOM 0 HD3 LYS A 69 -12.773 -12.884 16.982 1.00 42.43 H new ATOM 0 HE2 LYS A 69 -14.953 -13.224 18.080 1.00 35.45 H new ATOM 0 HE3 LYS A 69 -14.194 -14.135 19.370 1.00 35.45 H new ATOM 0 HZ1 LYS A 69 -14.616 -11.865 20.032 1.00 51.32 H new ATOM 0 HZ2 LYS A 69 -12.944 -12.157 19.995 1.00 51.32 H new ATOM 0 HZ3 LYS A 69 -13.679 -11.275 18.744 1.00 51.32 H new ATOM 1122 N ASN A 70 -12.559 -12.709 14.153 1.00 11.30 N ATOM 1123 CA ASN A 70 -12.226 -11.290 13.927 1.00 63.34 C ATOM 1124 C ASN A 70 -10.983 -11.128 13.032 1.00 1.21 C ATOM 1125 O ASN A 70 -10.315 -12.107 12.697 1.00 22.15 O ATOM 1126 CB ASN A 70 -12.024 -10.537 15.257 1.00 64.42 C ATOM 1127 CG ASN A 70 -10.805 -10.984 16.055 1.00 44.41 C ATOM 1128 OD1 ASN A 70 -10.496 -12.258 16.035 1.00 31.31 O flip ATOM 1129 ND2 ASN A 70 -10.154 -10.177 16.708 1.00 13.52 N flip ATOM 0 H ASN A 70 -11.802 -13.358 13.937 1.00 11.30 H new ATOM 0 HA ASN A 70 -13.077 -10.850 13.407 1.00 63.34 H new ATOM 0 HB2 ASN A 70 -11.935 -9.471 15.047 1.00 64.42 H new ATOM 0 HB3 ASN A 70 -12.914 -10.667 15.873 1.00 64.42 H new ATOM 0 HD21 ASN A 70 -10.415 -9.191 16.707 1.00 13.52 H new ATOM 0 HD22 ASN A 70 -9.351 -10.491 17.253 1.00 13.52 H new ATOM 1136 N GLU A 71 -10.676 -9.878 12.661 1.00 30.21 N ATOM 1137 CA GLU A 71 -9.532 -9.572 11.782 1.00 30.34 C ATOM 1138 C GLU A 71 -8.213 -10.136 12.339 1.00 53.40 C ATOM 1139 O GLU A 71 -7.344 -10.584 11.585 1.00 40.11 O ATOM 1140 CB GLU A 71 -9.405 -8.052 11.589 1.00 4.13 C ATOM 1141 CG GLU A 71 -8.237 -7.644 10.695 1.00 3.13 C ATOM 1142 CD GLU A 71 -8.103 -6.136 10.546 1.00 20.45 C ATOM 1143 OE1 GLU A 71 -7.412 -5.509 11.380 1.00 12.31 O ATOM 1144 OE2 GLU A 71 -8.683 -5.574 9.592 1.00 12.20 O ATOM 0 H GLU A 71 -11.205 -9.057 12.956 1.00 30.21 H new ATOM 0 HA GLU A 71 -9.721 -10.051 10.821 1.00 30.34 H new ATOM 0 HB2 GLU A 71 -10.331 -7.670 11.159 1.00 4.13 H new ATOM 0 HB3 GLU A 71 -9.288 -7.579 12.564 1.00 4.13 H new ATOM 0 HG2 GLU A 71 -7.312 -8.047 11.108 1.00 3.13 H new ATOM 0 HG3 GLU A 71 -8.367 -8.091 9.709 1.00 3.13 H new ATOM 1151 N ASP A 72 -8.076 -10.111 13.663 1.00 65.33 N ATOM 1152 CA ASP A 72 -6.881 -10.627 14.339 1.00 40.33 C ATOM 1153 C ASP A 72 -6.535 -12.058 13.887 1.00 2.03 C ATOM 1154 O ASP A 72 -5.367 -12.381 13.667 1.00 54.01 O ATOM 1155 CB ASP A 72 -7.085 -10.588 15.856 1.00 62.21 C ATOM 1156 CG ASP A 72 -5.883 -11.113 16.622 1.00 10.54 C ATOM 1157 OD1 ASP A 72 -4.878 -10.382 16.739 1.00 3.14 O ATOM 1158 OD2 ASP A 72 -5.935 -12.262 17.105 1.00 24.23 O ATOM 0 H ASP A 72 -8.783 -9.736 14.296 1.00 65.33 H new ATOM 0 HA ASP A 72 -6.042 -9.987 14.065 1.00 40.33 H new ATOM 0 HB2 ASP A 72 -7.288 -9.563 16.165 1.00 62.21 H new ATOM 0 HB3 ASP A 72 -7.963 -11.179 16.116 1.00 62.21 H new ATOM 1163 N ASP A 73 -7.552 -12.910 13.741 1.00 25.03 N ATOM 1164 CA ASP A 73 -7.334 -14.291 13.292 1.00 60.02 C ATOM 1165 C ASP A 73 -6.693 -14.329 11.898 1.00 15.31 C ATOM 1166 O ASP A 73 -5.800 -15.133 11.640 1.00 12.42 O ATOM 1167 CB ASP A 73 -8.648 -15.068 13.262 1.00 50.25 C ATOM 1168 CG ASP A 73 -9.327 -15.132 14.614 1.00 13.52 C ATOM 1169 OD1 ASP A 73 -8.780 -15.775 15.532 1.00 12.44 O ATOM 1170 OD2 ASP A 73 -10.419 -14.552 14.758 1.00 73.54 O ATOM 0 H ASP A 73 -8.527 -12.673 13.925 1.00 25.03 H new ATOM 0 HA ASP A 73 -6.655 -14.758 14.006 1.00 60.02 H new ATOM 0 HB2 ASP A 73 -9.323 -14.602 12.544 1.00 50.25 H new ATOM 0 HB3 ASP A 73 -8.457 -16.081 12.909 1.00 50.25 H new ATOM 1175 N VAL A 74 -7.153 -13.454 11.005 1.00 54.35 N ATOM 1176 CA VAL A 74 -6.597 -13.362 9.648 1.00 33.11 C ATOM 1177 C VAL A 74 -5.100 -13.010 9.690 1.00 63.51 C ATOM 1178 O VAL A 74 -4.287 -13.587 8.967 1.00 35.12 O ATOM 1179 CB VAL A 74 -7.357 -12.308 8.801 1.00 60.52 C ATOM 1180 CG1 VAL A 74 -6.783 -12.216 7.386 1.00 32.31 C ATOM 1181 CG2 VAL A 74 -8.853 -12.624 8.764 1.00 70.21 C ATOM 0 H VAL A 74 -7.910 -12.796 11.193 1.00 54.35 H new ATOM 0 HA VAL A 74 -6.718 -14.339 9.180 1.00 33.11 H new ATOM 0 HB VAL A 74 -7.224 -11.336 9.275 1.00 60.52 H new ATOM 0 HG11 VAL A 74 -7.336 -11.469 6.817 1.00 32.31 H new ATOM 0 HG12 VAL A 74 -5.733 -11.928 7.437 1.00 32.31 H new ATOM 0 HG13 VAL A 74 -6.870 -13.185 6.894 1.00 32.31 H new ATOM 0 HG21 VAL A 74 -9.369 -11.873 8.165 1.00 70.21 H new ATOM 0 HG22 VAL A 74 -9.006 -13.609 8.322 1.00 70.21 H new ATOM 0 HG23 VAL A 74 -9.252 -12.616 9.778 1.00 70.21 H new ATOM 1191 N LYS A 75 -4.744 -12.070 10.559 1.00 51.51 N ATOM 1192 CA LYS A 75 -3.342 -11.689 10.760 1.00 75.34 C ATOM 1193 C LYS A 75 -2.556 -12.810 11.465 1.00 24.45 C ATOM 1194 O LYS A 75 -1.348 -12.962 11.268 1.00 5.15 O ATOM 1195 CB LYS A 75 -3.275 -10.377 11.550 1.00 4.03 C ATOM 1196 CG LYS A 75 -3.856 -9.196 10.776 1.00 12.21 C ATOM 1197 CD LYS A 75 -3.974 -7.936 11.628 1.00 70.30 C ATOM 1198 CE LYS A 75 -4.415 -6.746 10.785 1.00 4.45 C ATOM 1199 NZ LYS A 75 -4.673 -5.538 11.608 1.00 3.44 N ATOM 0 H LYS A 75 -5.406 -11.554 11.139 1.00 51.51 H new ATOM 0 HA LYS A 75 -2.875 -11.536 9.787 1.00 75.34 H new ATOM 0 HB2 LYS A 75 -3.817 -10.494 12.488 1.00 4.03 H new ATOM 0 HB3 LYS A 75 -2.237 -10.164 11.806 1.00 4.03 H new ATOM 0 HG2 LYS A 75 -3.226 -8.988 9.912 1.00 12.21 H new ATOM 0 HG3 LYS A 75 -4.841 -9.466 10.395 1.00 12.21 H new ATOM 0 HD2 LYS A 75 -4.691 -8.102 12.432 1.00 70.30 H new ATOM 0 HD3 LYS A 75 -3.014 -7.718 12.097 1.00 70.30 H new ATOM 0 HE2 LYS A 75 -3.646 -6.522 10.046 1.00 4.45 H new ATOM 0 HE3 LYS A 75 -5.319 -7.008 10.235 1.00 4.45 H new ATOM 0 HZ1 LYS A 75 -5.682 -5.290 11.555 1.00 3.44 H new ATOM 0 HZ2 LYS A 75 -4.416 -5.730 12.597 1.00 3.44 H new ATOM 0 HZ3 LYS A 75 -4.103 -4.746 11.250 1.00 3.44 H new ATOM 1213 N SER A 76 -3.256 -13.603 12.275 1.00 73.12 N ATOM 1214 CA SER A 76 -2.673 -14.812 12.874 1.00 25.41 C ATOM 1215 C SER A 76 -2.410 -15.870 11.789 1.00 71.43 C ATOM 1216 O SER A 76 -1.405 -16.584 11.824 1.00 13.02 O ATOM 1217 CB SER A 76 -3.607 -15.384 13.953 1.00 21.21 C ATOM 1218 OG SER A 76 -3.054 -16.542 14.566 1.00 63.21 O ATOM 0 H SER A 76 -4.228 -13.434 12.534 1.00 73.12 H new ATOM 0 HA SER A 76 -1.726 -14.542 13.341 1.00 25.41 H new ATOM 0 HB2 SER A 76 -3.794 -14.625 14.712 1.00 21.21 H new ATOM 0 HB3 SER A 76 -4.570 -15.633 13.507 1.00 21.21 H new ATOM 0 HG SER A 76 -3.673 -16.878 15.247 1.00 63.21 H new ATOM 1224 N LEU A 77 -3.320 -15.952 10.812 1.00 25.45 N ATOM 1225 CA LEU A 77 -3.142 -16.834 9.652 1.00 23.12 C ATOM 1226 C LEU A 77 -1.881 -16.455 8.870 1.00 2.51 C ATOM 1227 O LEU A 77 -1.155 -17.323 8.395 1.00 45.14 O ATOM 1228 CB LEU A 77 -4.362 -16.772 8.720 1.00 13.33 C ATOM 1229 CG LEU A 77 -5.679 -17.290 9.316 1.00 23.12 C ATOM 1230 CD1 LEU A 77 -6.818 -17.121 8.316 1.00 31.40 C ATOM 1231 CD2 LEU A 77 -5.541 -18.751 9.741 1.00 53.33 C ATOM 0 H LEU A 77 -4.189 -15.418 10.801 1.00 25.45 H new ATOM 0 HA LEU A 77 -3.037 -17.852 10.027 1.00 23.12 H new ATOM 0 HB2 LEU A 77 -4.507 -15.737 8.409 1.00 13.33 H new ATOM 0 HB3 LEU A 77 -4.140 -17.347 7.821 1.00 13.33 H new ATOM 0 HG LEU A 77 -5.912 -16.701 10.203 1.00 23.12 H new ATOM 0 HD11 LEU A 77 -7.744 -17.493 8.754 1.00 31.40 H new ATOM 0 HD12 LEU A 77 -6.931 -16.065 8.069 1.00 31.40 H new ATOM 0 HD13 LEU A 77 -6.593 -17.684 7.410 1.00 31.40 H new ATOM 0 HD21 LEU A 77 -6.485 -19.099 10.161 1.00 53.33 H new ATOM 0 HD22 LEU A 77 -5.283 -19.359 8.874 1.00 53.33 H new ATOM 0 HD23 LEU A 77 -4.756 -18.839 10.492 1.00 53.33 H new ATOM 1243 N SER A 78 -1.624 -15.149 8.751 1.00 43.33 N ATOM 1244 CA SER A 78 -0.413 -14.644 8.083 1.00 41.32 C ATOM 1245 C SER A 78 0.851 -15.288 8.668 1.00 2.14 C ATOM 1246 O SER A 78 1.793 -15.614 7.944 1.00 24.21 O ATOM 1247 CB SER A 78 -0.327 -13.116 8.217 1.00 75.23 C ATOM 1248 OG SER A 78 0.854 -12.605 7.615 1.00 42.01 O ATOM 0 H SER A 78 -2.238 -14.418 9.109 1.00 43.33 H new ATOM 0 HA SER A 78 -0.478 -14.909 7.028 1.00 41.32 H new ATOM 0 HB2 SER A 78 -1.200 -12.659 7.752 1.00 75.23 H new ATOM 0 HB3 SER A 78 -0.347 -12.841 9.271 1.00 75.23 H new ATOM 0 HG SER A 78 0.877 -11.631 7.716 1.00 42.01 H new ATOM 1254 N ARG A 79 0.850 -15.493 9.986 1.00 34.44 N ATOM 1255 CA ARG A 79 1.968 -16.151 10.669 1.00 11.33 C ATOM 1256 C ARG A 79 2.088 -17.620 10.217 1.00 71.10 C ATOM 1257 O ARG A 79 3.189 -18.131 10.000 1.00 75.10 O ATOM 1258 CB ARG A 79 1.780 -16.070 12.194 1.00 51.11 C ATOM 1259 CG ARG A 79 1.436 -14.665 12.699 1.00 72.54 C ATOM 1260 CD ARG A 79 2.516 -13.642 12.351 1.00 70.34 C ATOM 1261 NE ARG A 79 2.091 -12.270 12.643 1.00 73.03 N ATOM 1262 CZ ARG A 79 2.880 -11.229 12.602 1.00 54.30 C ATOM 1263 NH1 ARG A 79 4.140 -11.367 12.334 1.00 32.32 N ATOM 1264 NH2 ARG A 79 2.404 -10.049 12.838 1.00 53.03 N ATOM 0 H ARG A 79 0.088 -15.213 10.603 1.00 34.44 H new ATOM 0 HA ARG A 79 2.891 -15.635 10.404 1.00 11.33 H new ATOM 0 HB2 ARG A 79 0.987 -16.757 12.490 1.00 51.11 H new ATOM 0 HB3 ARG A 79 2.694 -16.408 12.682 1.00 51.11 H new ATOM 0 HG2 ARG A 79 0.487 -14.349 12.267 1.00 72.54 H new ATOM 0 HG3 ARG A 79 1.301 -14.693 13.780 1.00 72.54 H new ATOM 0 HD2 ARG A 79 3.423 -13.867 12.913 1.00 70.34 H new ATOM 0 HD3 ARG A 79 2.767 -13.726 11.294 1.00 70.34 H new ATOM 0 HE ARG A 79 1.114 -12.118 12.895 1.00 73.03 H new ATOM 0 HH11 ARG A 79 4.524 -12.294 12.153 1.00 32.32 H new ATOM 0 HH12 ARG A 79 4.748 -10.548 12.304 1.00 32.32 H new ATOM 0 HH21 ARG A 79 1.414 -9.932 13.056 1.00 53.03 H new ATOM 0 HH22 ARG A 79 3.019 -9.235 12.806 1.00 53.03 H new ATOM 1278 N VAL A 80 0.941 -18.289 10.061 1.00 53.23 N ATOM 1279 CA VAL A 80 0.900 -19.657 9.524 1.00 61.24 C ATOM 1280 C VAL A 80 1.377 -19.687 8.062 1.00 14.44 C ATOM 1281 O VAL A 80 2.113 -20.587 7.654 1.00 61.35 O ATOM 1282 CB VAL A 80 -0.530 -20.258 9.604 1.00 72.03 C ATOM 1283 CG1 VAL A 80 -0.564 -21.673 9.026 1.00 31.41 C ATOM 1284 CG2 VAL A 80 -1.044 -20.248 11.043 1.00 65.34 C ATOM 0 H VAL A 80 0.026 -17.906 10.299 1.00 53.23 H new ATOM 0 HA VAL A 80 1.570 -20.259 10.138 1.00 61.24 H new ATOM 0 HB VAL A 80 -1.190 -19.633 9.002 1.00 72.03 H new ATOM 0 HG11 VAL A 80 -1.577 -22.070 9.095 1.00 31.41 H new ATOM 0 HG12 VAL A 80 -0.255 -21.647 7.981 1.00 31.41 H new ATOM 0 HG13 VAL A 80 0.115 -22.313 9.590 1.00 31.41 H new ATOM 0 HG21 VAL A 80 -2.047 -20.674 11.074 1.00 65.34 H new ATOM 0 HG22 VAL A 80 -0.379 -20.841 11.671 1.00 65.34 H new ATOM 0 HG23 VAL A 80 -1.073 -19.223 11.412 1.00 65.34 H new ATOM 1294 N MET A 81 0.966 -18.682 7.289 1.00 53.03 N ATOM 1295 CA MET A 81 1.380 -18.551 5.887 1.00 62.02 C ATOM 1296 C MET A 81 2.911 -18.499 5.774 1.00 52.34 C ATOM 1297 O MET A 81 3.501 -19.045 4.841 1.00 1.22 O ATOM 1298 CB MET A 81 0.743 -17.297 5.268 1.00 72.42 C ATOM 1299 CG MET A 81 -0.775 -17.342 5.278 1.00 32.34 C ATOM 1300 SD MET A 81 -1.410 -18.871 4.564 1.00 15.35 S ATOM 1301 CE MET A 81 -3.146 -18.747 4.974 1.00 34.12 C ATOM 0 H MET A 81 0.343 -17.941 7.610 1.00 53.03 H new ATOM 0 HA MET A 81 1.035 -19.426 5.336 1.00 62.02 H new ATOM 0 HB2 MET A 81 1.079 -16.416 5.815 1.00 72.42 H new ATOM 0 HB3 MET A 81 1.092 -17.187 4.241 1.00 72.42 H new ATOM 0 HG2 MET A 81 -1.134 -17.244 6.303 1.00 32.34 H new ATOM 0 HG3 MET A 81 -1.167 -16.491 4.720 1.00 32.34 H new ATOM 0 HE1 MET A 81 -3.724 -19.389 4.309 1.00 34.12 H new ATOM 0 HE2 MET A 81 -3.299 -19.062 6.006 1.00 34.12 H new ATOM 0 HE3 MET A 81 -3.475 -17.714 4.857 1.00 34.12 H new ATOM 1311 N ILE A 82 3.547 -17.847 6.748 1.00 61.42 N ATOM 1312 CA ILE A 82 5.009 -17.851 6.864 1.00 44.31 C ATOM 1313 C ILE A 82 5.540 -19.282 7.094 1.00 34.25 C ATOM 1314 O ILE A 82 6.554 -19.684 6.518 1.00 60.41 O ATOM 1315 CB ILE A 82 5.472 -16.932 8.026 1.00 34.43 C ATOM 1316 CG1 ILE A 82 4.963 -15.495 7.804 1.00 65.21 C ATOM 1317 CG2 ILE A 82 6.996 -16.951 8.170 1.00 52.34 C ATOM 1318 CD1 ILE A 82 5.200 -14.563 8.975 1.00 51.12 C ATOM 0 H ILE A 82 3.072 -17.307 7.471 1.00 61.42 H new ATOM 0 HA ILE A 82 5.415 -17.471 5.927 1.00 44.31 H new ATOM 0 HB ILE A 82 5.046 -17.313 8.954 1.00 34.43 H new ATOM 0 HG12 ILE A 82 5.450 -15.082 6.921 1.00 65.21 H new ATOM 0 HG13 ILE A 82 3.894 -15.529 7.592 1.00 65.21 H new ATOM 0 HG21 ILE A 82 7.292 -16.298 8.991 1.00 52.34 H new ATOM 0 HG22 ILE A 82 7.329 -17.968 8.376 1.00 52.34 H new ATOM 0 HG23 ILE A 82 7.453 -16.600 7.245 1.00 52.34 H new ATOM 0 HD11 ILE A 82 4.812 -13.573 8.736 1.00 51.12 H new ATOM 0 HD12 ILE A 82 4.689 -14.950 9.857 1.00 51.12 H new ATOM 0 HD13 ILE A 82 6.269 -14.495 9.175 1.00 51.12 H new ATOM 1330 N HIS A 83 4.834 -20.051 7.929 1.00 33.21 N ATOM 1331 CA HIS A 83 5.208 -21.449 8.203 1.00 63.44 C ATOM 1332 C HIS A 83 5.085 -22.334 6.952 1.00 22.41 C ATOM 1333 O HIS A 83 5.850 -23.282 6.782 1.00 64.43 O ATOM 1334 CB HIS A 83 4.351 -22.042 9.331 1.00 33.34 C ATOM 1335 CG HIS A 83 4.660 -21.494 10.691 1.00 32.45 C ATOM 1336 ND1 HIS A 83 3.979 -20.628 11.480 1.00 32.32 N flip ATOM 1337 CD2 HIS A 83 5.783 -21.849 11.404 1.00 51.32 C flip ATOM 1338 CE1 HIS A 83 4.700 -20.487 12.636 1.00 63.40 C flip ATOM 1339 NE2 HIS A 83 5.780 -21.232 12.566 1.00 12.21 N flip ATOM 0 H HIS A 83 4.002 -19.734 8.427 1.00 33.21 H new ATOM 0 HA HIS A 83 6.253 -21.434 8.514 1.00 63.44 H new ATOM 0 HB2 HIS A 83 3.300 -21.859 9.108 1.00 33.34 H new ATOM 0 HB3 HIS A 83 4.490 -23.123 9.347 1.00 33.34 H new ATOM 0 HD2 HIS A 83 6.549 -22.529 11.062 1.00 51.32 H new ATOM 0 HE1 HIS A 83 4.424 -19.862 13.473 1.00 63.40 H new ATOM 0 HE2 HIS A 83 6.494 -21.317 13.289 1.00 12.21 H new ATOM 1348 N VAL A 84 4.124 -22.024 6.083 1.00 61.23 N ATOM 1349 CA VAL A 84 3.936 -22.779 4.834 1.00 60.11 C ATOM 1350 C VAL A 84 5.232 -22.834 4.004 1.00 30.13 C ATOM 1351 O VAL A 84 5.584 -23.873 3.445 1.00 20.10 O ATOM 1352 CB VAL A 84 2.798 -22.175 3.969 1.00 45.21 C ATOM 1353 CG1 VAL A 84 2.644 -22.940 2.653 1.00 34.55 C ATOM 1354 CG2 VAL A 84 1.479 -22.162 4.745 1.00 1.11 C ATOM 0 H VAL A 84 3.463 -21.259 6.215 1.00 61.23 H new ATOM 0 HA VAL A 84 3.660 -23.793 5.124 1.00 60.11 H new ATOM 0 HB VAL A 84 3.066 -21.146 3.730 1.00 45.21 H new ATOM 0 HG11 VAL A 84 1.840 -22.496 2.066 1.00 34.55 H new ATOM 0 HG12 VAL A 84 3.576 -22.887 2.090 1.00 34.55 H new ATOM 0 HG13 VAL A 84 2.406 -23.983 2.864 1.00 34.55 H new ATOM 0 HG21 VAL A 84 0.694 -21.735 4.121 1.00 1.11 H new ATOM 0 HG22 VAL A 84 1.209 -23.181 5.021 1.00 1.11 H new ATOM 0 HG23 VAL A 84 1.593 -21.560 5.647 1.00 1.11 H new ATOM 1364 N PHE A 85 5.946 -21.710 3.943 1.00 54.20 N ATOM 1365 CA PHE A 85 7.223 -21.638 3.216 1.00 52.21 C ATOM 1366 C PHE A 85 8.409 -22.098 4.085 1.00 43.04 C ATOM 1367 O PHE A 85 9.541 -22.192 3.608 1.00 75.15 O ATOM 1368 CB PHE A 85 7.462 -20.209 2.717 1.00 35.14 C ATOM 1369 CG PHE A 85 6.455 -19.751 1.691 1.00 60.14 C ATOM 1370 CD1 PHE A 85 6.314 -20.433 0.490 1.00 33.11 C ATOM 1371 CD2 PHE A 85 5.662 -18.635 1.919 1.00 53.01 C ATOM 1372 CE1 PHE A 85 5.406 -20.012 -0.460 1.00 51.42 C ATOM 1373 CE2 PHE A 85 4.750 -18.213 0.972 1.00 2.05 C ATOM 1374 CZ PHE A 85 4.622 -18.901 -0.218 1.00 61.41 C ATOM 0 H PHE A 85 5.666 -20.835 4.386 1.00 54.20 H new ATOM 0 HA PHE A 85 7.156 -22.317 2.366 1.00 52.21 H new ATOM 0 HB2 PHE A 85 7.438 -19.527 3.567 1.00 35.14 H new ATOM 0 HB3 PHE A 85 8.461 -20.146 2.286 1.00 35.14 H new ATOM 0 HD1 PHE A 85 6.923 -21.304 0.297 1.00 33.11 H new ATOM 0 HD2 PHE A 85 5.759 -18.091 2.847 1.00 53.01 H new ATOM 0 HE1 PHE A 85 5.309 -20.550 -1.391 1.00 51.42 H new ATOM 0 HE2 PHE A 85 4.137 -17.345 1.162 1.00 2.05 H new ATOM 0 HZ PHE A 85 3.909 -18.571 -0.959 1.00 61.41 H new ATOM 1458 N TRP A 92 7.059 -24.837 -6.368 1.00 50.41 N ATOM 1459 CA TRP A 92 5.765 -24.355 -6.861 1.00 73.00 C ATOM 1460 C TRP A 92 4.602 -25.146 -6.235 1.00 73.42 C ATOM 1461 O TRP A 92 3.486 -24.639 -6.107 1.00 50.42 O ATOM 1462 CB TRP A 92 5.732 -24.425 -8.396 1.00 20.41 C ATOM 1463 CG TRP A 92 6.909 -23.728 -9.030 1.00 14.21 C ATOM 1464 CD1 TRP A 92 7.750 -24.230 -9.986 1.00 11.41 C ATOM 1465 CD2 TRP A 92 7.396 -22.411 -8.724 1.00 41.42 C ATOM 1466 NE1 TRP A 92 8.717 -23.304 -10.297 1.00 23.43 N ATOM 1467 CE2 TRP A 92 8.521 -22.181 -9.537 1.00 34.44 C ATOM 1468 CE3 TRP A 92 6.986 -21.401 -7.844 1.00 61.30 C ATOM 1469 CZ2 TRP A 92 9.240 -20.988 -9.496 1.00 63.20 C ATOM 1470 CZ3 TRP A 92 7.701 -20.219 -7.802 1.00 62.10 C ATOM 1471 CH2 TRP A 92 8.818 -20.020 -8.624 1.00 12.43 C ATOM 0 HA TRP A 92 5.641 -23.314 -6.561 1.00 73.00 H new ATOM 0 HB2 TRP A 92 5.720 -25.469 -8.709 1.00 20.41 H new ATOM 0 HB3 TRP A 92 4.808 -23.973 -8.758 1.00 20.41 H new ATOM 0 HD1 TRP A 92 7.666 -25.210 -10.431 1.00 11.41 H new ATOM 0 HE1 TRP A 92 9.461 -23.432 -10.983 1.00 23.43 H new ATOM 0 HE3 TRP A 92 6.125 -21.544 -7.208 1.00 61.30 H new ATOM 0 HZ2 TRP A 92 10.100 -20.832 -10.130 1.00 63.20 H new ATOM 0 HZ3 TRP A 92 7.394 -19.436 -7.125 1.00 62.10 H new ATOM 0 HH2 TRP A 92 9.356 -19.085 -8.569 1.00 12.43 H new ATOM 1482 N GLY A 93 4.879 -26.385 -5.823 1.00 5.33 N ATOM 1483 CA GLY A 93 3.902 -27.163 -5.067 1.00 33.41 C ATOM 1484 C GLY A 93 3.532 -26.514 -3.729 1.00 3.00 C ATOM 1485 O GLY A 93 2.418 -26.689 -3.230 1.00 4.54 O ATOM 0 H GLY A 93 5.762 -26.865 -5.999 1.00 5.33 H new ATOM 0 HA2 GLY A 93 3.000 -27.287 -5.667 1.00 33.41 H new ATOM 0 HA3 GLY A 93 4.302 -28.160 -4.883 1.00 33.41 H new ATOM 1489 N ARG A 94 4.469 -25.759 -3.147 1.00 14.42 N ATOM 1490 CA ARG A 94 4.215 -25.029 -1.897 1.00 61.54 C ATOM 1491 C ARG A 94 3.304 -23.820 -2.142 1.00 44.50 C ATOM 1492 O ARG A 94 2.510 -23.444 -1.280 1.00 64.31 O ATOM 1493 CB ARG A 94 5.533 -24.576 -1.252 1.00 33.32 C ATOM 1494 CG ARG A 94 6.419 -25.721 -0.753 1.00 71.23 C ATOM 1495 CD ARG A 94 5.880 -26.382 0.521 1.00 0.43 C ATOM 1496 NE ARG A 94 4.633 -27.122 0.302 1.00 0.33 N ATOM 1497 CZ ARG A 94 4.425 -28.348 0.704 1.00 14.50 C ATOM 1498 NH1 ARG A 94 5.342 -29.000 1.349 1.00 12.43 N ATOM 1499 NH2 ARG A 94 3.290 -28.918 0.458 1.00 53.21 N ATOM 0 H ARG A 94 5.410 -25.636 -3.520 1.00 14.42 H new ATOM 0 HA ARG A 94 3.708 -25.709 -1.213 1.00 61.54 H new ATOM 0 HB2 ARG A 94 6.095 -23.987 -1.977 1.00 33.32 H new ATOM 0 HB3 ARG A 94 5.306 -23.917 -0.414 1.00 33.32 H new ATOM 0 HG2 ARG A 94 6.507 -26.473 -1.537 1.00 71.23 H new ATOM 0 HG3 ARG A 94 7.422 -25.340 -0.562 1.00 71.23 H new ATOM 0 HD2 ARG A 94 6.634 -27.062 0.917 1.00 0.43 H new ATOM 0 HD3 ARG A 94 5.713 -25.616 1.278 1.00 0.43 H new ATOM 0 HE ARG A 94 3.879 -26.649 -0.196 1.00 0.33 H new ATOM 0 HH11 ARG A 94 6.239 -28.556 1.548 1.00 12.43 H new ATOM 0 HH12 ARG A 94 5.167 -29.956 1.657 1.00 12.43 H new ATOM 0 HH21 ARG A 94 2.563 -28.411 -0.047 1.00 53.21 H new ATOM 0 HH22 ARG A 94 3.122 -29.875 0.769 1.00 53.21 H new ATOM 1513 N ILE A 95 3.420 -23.217 -3.325 1.00 4.35 N ATOM 1514 CA ILE A 95 2.512 -22.137 -3.730 1.00 42.14 C ATOM 1515 C ILE A 95 1.060 -22.642 -3.721 1.00 12.15 C ATOM 1516 O ILE A 95 0.154 -21.976 -3.213 1.00 71.14 O ATOM 1517 CB ILE A 95 2.864 -21.599 -5.142 1.00 53.22 C ATOM 1518 CG1 ILE A 95 4.335 -21.147 -5.200 1.00 54.02 C ATOM 1519 CG2 ILE A 95 1.932 -20.452 -5.537 1.00 43.42 C ATOM 1520 CD1 ILE A 95 4.680 -20.032 -4.233 1.00 41.21 C ATOM 0 H ILE A 95 4.129 -23.454 -4.019 1.00 4.35 H new ATOM 0 HA ILE A 95 2.625 -21.321 -3.016 1.00 42.14 H new ATOM 0 HB ILE A 95 2.725 -22.410 -5.857 1.00 53.22 H new ATOM 0 HG12 ILE A 95 4.975 -22.004 -4.992 1.00 54.02 H new ATOM 0 HG13 ILE A 95 4.563 -20.817 -6.214 1.00 54.02 H new ATOM 0 HG21 ILE A 95 2.199 -20.092 -6.531 1.00 43.42 H new ATOM 0 HG22 ILE A 95 0.901 -20.807 -5.544 1.00 43.42 H new ATOM 0 HG23 ILE A 95 2.031 -19.639 -4.818 1.00 43.42 H new ATOM 0 HD11 ILE A 95 5.734 -19.773 -4.337 1.00 41.21 H new ATOM 0 HD12 ILE A 95 4.068 -19.157 -4.453 1.00 41.21 H new ATOM 0 HD13 ILE A 95 4.487 -20.363 -3.212 1.00 41.21 H new ATOM 1532 N VAL A 96 0.858 -23.840 -4.273 1.00 52.34 N ATOM 1533 CA VAL A 96 -0.447 -24.510 -4.232 1.00 54.45 C ATOM 1534 C VAL A 96 -0.906 -24.720 -2.781 1.00 70.15 C ATOM 1535 O VAL A 96 -2.066 -24.488 -2.445 1.00 14.34 O ATOM 1536 CB VAL A 96 -0.403 -25.884 -4.949 1.00 30.23 C ATOM 1537 CG1 VAL A 96 -1.798 -26.505 -5.032 1.00 12.23 C ATOM 1538 CG2 VAL A 96 0.217 -25.751 -6.337 1.00 64.20 C ATOM 0 H VAL A 96 1.584 -24.369 -4.756 1.00 52.34 H new ATOM 0 HA VAL A 96 -1.154 -23.863 -4.751 1.00 54.45 H new ATOM 0 HB VAL A 96 0.225 -26.551 -4.359 1.00 30.23 H new ATOM 0 HG11 VAL A 96 -1.738 -27.468 -5.539 1.00 12.23 H new ATOM 0 HG12 VAL A 96 -2.193 -26.649 -4.026 1.00 12.23 H new ATOM 0 HG13 VAL A 96 -2.459 -25.842 -5.590 1.00 12.23 H new ATOM 0 HG21 VAL A 96 0.238 -26.727 -6.821 1.00 64.20 H new ATOM 0 HG22 VAL A 96 -0.377 -25.061 -6.936 1.00 64.20 H new ATOM 0 HG23 VAL A 96 1.234 -25.370 -6.246 1.00 64.20 H new ATOM 1548 N THR A 97 0.021 -25.162 -1.924 1.00 24.11 N ATOM 1549 CA THR A 97 -0.261 -25.356 -0.492 1.00 65.35 C ATOM 1550 C THR A 97 -0.816 -24.073 0.144 1.00 1.25 C ATOM 1551 O THR A 97 -1.852 -24.091 0.809 1.00 52.32 O ATOM 1552 CB THR A 97 1.011 -25.781 0.291 1.00 3.31 C ATOM 1553 OG1 THR A 97 1.646 -26.901 -0.347 1.00 72.30 O ATOM 1554 CG2 THR A 97 0.678 -26.149 1.734 1.00 64.31 C ATOM 0 H THR A 97 0.977 -25.394 -2.196 1.00 24.11 H new ATOM 0 HA THR A 97 -1.005 -26.150 -0.430 1.00 65.35 H new ATOM 0 HB THR A 97 1.690 -24.929 0.294 1.00 3.31 H new ATOM 0 HG1 THR A 97 1.849 -26.675 -1.279 1.00 72.30 H new ATOM 0 HG21 THR A 97 1.590 -26.442 2.255 1.00 64.31 H new ATOM 0 HG22 THR A 97 0.234 -25.289 2.236 1.00 64.31 H new ATOM 0 HG23 THR A 97 -0.028 -26.979 1.744 1.00 64.31 H new ATOM 1562 N LEU A 98 -0.116 -22.962 -0.084 1.00 2.11 N ATOM 1563 CA LEU A 98 -0.506 -21.654 0.463 1.00 51.21 C ATOM 1564 C LEU A 98 -1.900 -21.214 -0.024 1.00 71.10 C ATOM 1565 O LEU A 98 -2.792 -20.923 0.778 1.00 62.54 O ATOM 1566 CB LEU A 98 0.537 -20.601 0.050 1.00 4.14 C ATOM 1567 CG LEU A 98 0.325 -19.195 0.634 1.00 72.41 C ATOM 1568 CD1 LEU A 98 0.597 -19.185 2.134 1.00 1.13 C ATOM 1569 CD2 LEU A 98 1.202 -18.171 -0.085 1.00 14.44 C ATOM 0 H LEU A 98 0.733 -22.938 -0.649 1.00 2.11 H new ATOM 0 HA LEU A 98 -0.550 -21.745 1.548 1.00 51.21 H new ATOM 0 HB2 LEU A 98 1.523 -20.955 0.350 1.00 4.14 H new ATOM 0 HB3 LEU A 98 0.542 -20.527 -1.037 1.00 4.14 H new ATOM 0 HG LEU A 98 -0.717 -18.916 0.478 1.00 72.41 H new ATOM 0 HD11 LEU A 98 0.441 -18.180 2.525 1.00 1.13 H new ATOM 0 HD12 LEU A 98 -0.082 -19.878 2.631 1.00 1.13 H new ATOM 0 HD13 LEU A 98 1.627 -19.490 2.319 1.00 1.13 H new ATOM 0 HD21 LEU A 98 1.035 -17.183 0.345 1.00 14.44 H new ATOM 0 HD22 LEU A 98 2.251 -18.445 0.031 1.00 14.44 H new ATOM 0 HD23 LEU A 98 0.947 -18.153 -1.145 1.00 14.44 H new ATOM 1581 N ILE A 99 -2.085 -21.182 -1.343 1.00 15.10 N ATOM 1582 CA ILE A 99 -3.339 -20.708 -1.941 1.00 71.41 C ATOM 1583 C ILE A 99 -4.525 -21.633 -1.605 1.00 33.02 C ATOM 1584 O ILE A 99 -5.628 -21.160 -1.314 1.00 43.32 O ATOM 1585 CB ILE A 99 -3.200 -20.574 -3.479 1.00 44.23 C ATOM 1586 CG1 ILE A 99 -2.017 -19.654 -3.828 1.00 24.41 C ATOM 1587 CG2 ILE A 99 -4.493 -20.041 -4.096 1.00 42.11 C ATOM 1588 CD1 ILE A 99 -1.779 -19.497 -5.316 1.00 11.53 C ATOM 0 H ILE A 99 -1.383 -21.478 -2.021 1.00 15.10 H new ATOM 0 HA ILE A 99 -3.543 -19.727 -1.511 1.00 71.41 H new ATOM 0 HB ILE A 99 -3.008 -21.563 -3.895 1.00 44.23 H new ATOM 0 HG12 ILE A 99 -2.194 -18.670 -3.393 1.00 24.41 H new ATOM 0 HG13 ILE A 99 -1.113 -20.050 -3.365 1.00 24.41 H new ATOM 0 HG21 ILE A 99 -4.372 -19.955 -5.176 1.00 42.11 H new ATOM 0 HG22 ILE A 99 -5.311 -20.727 -3.876 1.00 42.11 H new ATOM 0 HG23 ILE A 99 -4.719 -19.060 -3.677 1.00 42.11 H new ATOM 0 HD11 ILE A 99 -0.929 -18.834 -5.481 1.00 11.53 H new ATOM 0 HD12 ILE A 99 -1.569 -20.472 -5.756 1.00 11.53 H new ATOM 0 HD13 ILE A 99 -2.667 -19.071 -5.784 1.00 11.53 H new ATOM 1600 N SER A 100 -4.292 -22.947 -1.642 1.00 3.21 N ATOM 1601 CA SER A 100 -5.336 -23.931 -1.302 1.00 75.34 C ATOM 1602 C SER A 100 -5.838 -23.738 0.133 1.00 72.22 C ATOM 1603 O SER A 100 -7.038 -23.805 0.391 1.00 55.14 O ATOM 1604 CB SER A 100 -4.823 -25.372 -1.476 1.00 4.10 C ATOM 1605 OG SER A 100 -3.758 -25.662 -0.580 1.00 63.50 O ATOM 0 H SER A 100 -3.396 -23.358 -1.902 1.00 3.21 H new ATOM 0 HA SER A 100 -6.165 -23.765 -1.990 1.00 75.34 H new ATOM 0 HB2 SER A 100 -5.641 -26.072 -1.308 1.00 4.10 H new ATOM 0 HB3 SER A 100 -4.485 -25.517 -2.502 1.00 4.10 H new ATOM 0 HG SER A 100 -2.915 -25.335 -0.957 1.00 63.50 H new ATOM 1611 N PHE A 101 -4.915 -23.496 1.064 1.00 23.11 N ATOM 1612 CA PHE A 101 -5.283 -23.248 2.460 1.00 20.24 C ATOM 1613 C PHE A 101 -6.132 -21.972 2.586 1.00 10.42 C ATOM 1614 O PHE A 101 -7.141 -21.958 3.289 1.00 30.11 O ATOM 1615 CB PHE A 101 -4.027 -23.146 3.339 1.00 53.35 C ATOM 1616 CG PHE A 101 -4.322 -22.998 4.816 1.00 41.13 C ATOM 1617 CD1 PHE A 101 -5.221 -23.846 5.447 1.00 21.34 C ATOM 1618 CD2 PHE A 101 -3.694 -22.018 5.574 1.00 50.41 C ATOM 1619 CE1 PHE A 101 -5.490 -23.719 6.797 1.00 43.44 C ATOM 1620 CE2 PHE A 101 -3.959 -21.887 6.925 1.00 52.34 C ATOM 1621 CZ PHE A 101 -4.859 -22.738 7.537 1.00 30.24 C ATOM 0 H PHE A 101 -3.912 -23.466 0.879 1.00 23.11 H new ATOM 0 HA PHE A 101 -5.882 -24.090 2.806 1.00 20.24 H new ATOM 0 HB2 PHE A 101 -3.417 -24.036 3.188 1.00 53.35 H new ATOM 0 HB3 PHE A 101 -3.434 -22.293 3.010 1.00 53.35 H new ATOM 0 HD1 PHE A 101 -5.718 -24.616 4.875 1.00 21.34 H new ATOM 0 HD2 PHE A 101 -2.989 -21.349 5.102 1.00 50.41 H new ATOM 0 HE1 PHE A 101 -6.193 -24.386 7.273 1.00 43.44 H new ATOM 0 HE2 PHE A 101 -3.463 -21.120 7.501 1.00 52.34 H new ATOM 0 HZ PHE A 101 -5.069 -22.636 8.592 1.00 30.24 H new ATOM 1631 N GLY A 102 -5.722 -20.909 1.887 1.00 4.41 N ATOM 1632 CA GLY A 102 -6.487 -19.663 1.891 1.00 70.25 C ATOM 1633 C GLY A 102 -7.924 -19.845 1.401 1.00 23.22 C ATOM 1634 O GLY A 102 -8.871 -19.350 2.020 1.00 43.15 O ATOM 0 H GLY A 102 -4.875 -20.887 1.319 1.00 4.41 H new ATOM 0 HA2 GLY A 102 -6.502 -19.255 2.902 1.00 70.25 H new ATOM 0 HA3 GLY A 102 -5.983 -18.931 1.260 1.00 70.25 H new ATOM 1638 N ALA A 103 -8.087 -20.567 0.292 1.00 52.11 N ATOM 1639 CA ALA A 103 -9.414 -20.838 -0.276 1.00 42.44 C ATOM 1640 C ALA A 103 -10.231 -21.790 0.616 1.00 50.24 C ATOM 1641 O ALA A 103 -11.444 -21.622 0.784 1.00 32.01 O ATOM 1642 CB ALA A 103 -9.271 -21.417 -1.678 1.00 61.25 C ATOM 0 H ALA A 103 -7.316 -20.977 -0.234 1.00 52.11 H new ATOM 0 HA ALA A 103 -9.955 -19.894 -0.329 1.00 42.44 H new ATOM 0 HB1 ALA A 103 -10.259 -21.615 -2.092 1.00 61.25 H new ATOM 0 HB2 ALA A 103 -8.747 -20.704 -2.314 1.00 61.25 H new ATOM 0 HB3 ALA A 103 -8.704 -22.347 -1.632 1.00 61.25 H new ATOM 1648 N PHE A 104 -9.559 -22.787 1.187 1.00 35.44 N ATOM 1649 CA PHE A 104 -10.209 -23.746 2.085 1.00 64.12 C ATOM 1650 C PHE A 104 -10.773 -23.038 3.328 1.00 53.40 C ATOM 1651 O PHE A 104 -11.897 -23.310 3.760 1.00 53.54 O ATOM 1652 CB PHE A 104 -9.214 -24.839 2.504 1.00 12.24 C ATOM 1653 CG PHE A 104 -9.852 -25.977 3.258 1.00 71.42 C ATOM 1654 CD1 PHE A 104 -10.454 -27.023 2.574 1.00 42.01 C ATOM 1655 CD2 PHE A 104 -9.853 -25.999 4.646 1.00 1.42 C ATOM 1656 CE1 PHE A 104 -11.041 -28.067 3.259 1.00 25.12 C ATOM 1657 CE2 PHE A 104 -10.440 -27.043 5.334 1.00 53.34 C ATOM 1658 CZ PHE A 104 -11.035 -28.077 4.640 1.00 71.20 C ATOM 0 H PHE A 104 -8.563 -22.954 1.045 1.00 35.44 H new ATOM 0 HA PHE A 104 -11.038 -24.208 1.549 1.00 64.12 H new ATOM 0 HB2 PHE A 104 -8.724 -25.233 1.614 1.00 12.24 H new ATOM 0 HB3 PHE A 104 -8.437 -24.393 3.125 1.00 12.24 H new ATOM 0 HD1 PHE A 104 -10.463 -27.020 1.494 1.00 42.01 H new ATOM 0 HD2 PHE A 104 -9.390 -25.191 5.194 1.00 1.42 H new ATOM 0 HE1 PHE A 104 -11.505 -28.876 2.715 1.00 25.12 H new ATOM 0 HE2 PHE A 104 -10.433 -27.050 6.414 1.00 53.34 H new ATOM 0 HZ PHE A 104 -11.496 -28.893 5.177 1.00 71.20 H new ATOM 1668 N VAL A 105 -9.987 -22.122 3.897 1.00 3.32 N ATOM 1669 CA VAL A 105 -10.446 -21.320 5.033 1.00 21.12 C ATOM 1670 C VAL A 105 -11.606 -20.405 4.617 1.00 62.51 C ATOM 1671 O VAL A 105 -12.560 -20.220 5.374 1.00 31.31 O ATOM 1672 CB VAL A 105 -9.299 -20.469 5.640 1.00 31.24 C ATOM 1673 CG1 VAL A 105 -9.808 -19.601 6.792 1.00 43.41 C ATOM 1674 CG2 VAL A 105 -8.158 -21.365 6.114 1.00 23.23 C ATOM 0 H VAL A 105 -9.035 -21.918 3.592 1.00 3.32 H new ATOM 0 HA VAL A 105 -10.792 -22.016 5.797 1.00 21.12 H new ATOM 0 HB VAL A 105 -8.922 -19.809 4.859 1.00 31.24 H new ATOM 0 HG11 VAL A 105 -8.983 -19.016 7.198 1.00 43.41 H new ATOM 0 HG12 VAL A 105 -10.584 -18.929 6.426 1.00 43.41 H new ATOM 0 HG13 VAL A 105 -10.220 -20.239 7.574 1.00 43.41 H new ATOM 0 HG21 VAL A 105 -7.364 -20.750 6.536 1.00 23.23 H new ATOM 0 HG22 VAL A 105 -8.527 -22.053 6.875 1.00 23.23 H new ATOM 0 HG23 VAL A 105 -7.767 -21.933 5.270 1.00 23.23 H new ATOM 1684 N ALA A 106 -11.525 -19.855 3.400 1.00 13.45 N ATOM 1685 CA ALA A 106 -12.591 -19.005 2.850 1.00 44.43 C ATOM 1686 C ALA A 106 -13.964 -19.705 2.911 1.00 64.21 C ATOM 1687 O ALA A 106 -14.970 -19.091 3.273 1.00 42.11 O ATOM 1688 CB ALA A 106 -12.261 -18.595 1.417 1.00 2.24 C ATOM 0 H ALA A 106 -10.730 -19.983 2.774 1.00 13.45 H new ATOM 0 HA ALA A 106 -12.651 -18.108 3.467 1.00 44.43 H new ATOM 0 HB1 ALA A 106 -13.061 -17.966 1.025 1.00 2.24 H new ATOM 0 HB2 ALA A 106 -11.323 -18.040 1.404 1.00 2.24 H new ATOM 0 HB3 ALA A 106 -12.163 -19.486 0.797 1.00 2.24 H new ATOM 1694 N LYS A 107 -13.995 -20.997 2.557 1.00 71.14 N ATOM 1695 CA LYS A 107 -15.217 -21.809 2.690 1.00 23.43 C ATOM 1696 C LYS A 107 -15.737 -21.803 4.138 1.00 14.24 C ATOM 1697 O LYS A 107 -16.921 -21.558 4.392 1.00 13.13 O ATOM 1698 CB LYS A 107 -14.958 -23.261 2.253 1.00 44.15 C ATOM 1699 CG LYS A 107 -14.773 -23.448 0.751 1.00 24.32 C ATOM 1700 CD LYS A 107 -14.615 -24.928 0.396 1.00 24.33 C ATOM 1701 CE LYS A 107 -14.719 -25.174 -1.103 1.00 31.12 C ATOM 1702 NZ LYS A 107 -16.053 -24.791 -1.639 1.00 14.10 N ATOM 0 H LYS A 107 -13.194 -21.502 2.178 1.00 71.14 H new ATOM 0 HA LYS A 107 -15.972 -21.364 2.042 1.00 23.43 H new ATOM 0 HB2 LYS A 107 -14.067 -23.627 2.764 1.00 44.15 H new ATOM 0 HB3 LYS A 107 -15.792 -23.880 2.583 1.00 44.15 H new ATOM 0 HG2 LYS A 107 -15.631 -23.033 0.221 1.00 24.32 H new ATOM 0 HG3 LYS A 107 -13.895 -22.895 0.418 1.00 24.32 H new ATOM 0 HD2 LYS A 107 -13.650 -25.285 0.755 1.00 24.33 H new ATOM 0 HD3 LYS A 107 -15.381 -25.507 0.912 1.00 24.33 H new ATOM 0 HE2 LYS A 107 -13.944 -24.606 -1.618 1.00 31.12 H new ATOM 0 HE3 LYS A 107 -14.533 -26.228 -1.311 1.00 31.12 H new ATOM 0 HZ1 LYS A 107 -16.382 -25.520 -2.304 1.00 14.10 H new ATOM 0 HZ2 LYS A 107 -16.731 -24.706 -0.855 1.00 14.10 H new ATOM 0 HZ3 LYS A 107 -15.980 -23.879 -2.134 1.00 14.10 H new ATOM 1716 N HIS A 108 -14.837 -22.067 5.087 1.00 4.40 N ATOM 1717 CA HIS A 108 -15.192 -22.079 6.508 1.00 45.20 C ATOM 1718 C HIS A 108 -15.669 -20.691 6.967 1.00 25.23 C ATOM 1719 O HIS A 108 -16.567 -20.579 7.803 1.00 3.51 O ATOM 1720 CB HIS A 108 -13.993 -22.541 7.350 1.00 13.25 C ATOM 1721 CG HIS A 108 -14.305 -22.710 8.809 1.00 0.00 C ATOM 1722 ND1 HIS A 108 -14.986 -23.797 9.310 1.00 13.24 N ATOM 1723 CD2 HIS A 108 -14.035 -21.919 9.877 1.00 71.23 C ATOM 1724 CE1 HIS A 108 -15.126 -23.668 10.614 1.00 34.44 C ATOM 1725 NE2 HIS A 108 -14.559 -22.540 10.985 1.00 73.14 N ATOM 0 H HIS A 108 -13.857 -22.275 4.898 1.00 4.40 H new ATOM 0 HA HIS A 108 -16.013 -22.782 6.650 1.00 45.20 H new ATOM 0 HB2 HIS A 108 -13.627 -23.488 6.954 1.00 13.25 H new ATOM 0 HB3 HIS A 108 -13.185 -21.817 7.242 1.00 13.25 H new ATOM 0 HD2 HIS A 108 -13.507 -20.977 9.860 1.00 71.23 H new ATOM 0 HE1 HIS A 108 -15.622 -24.370 11.268 1.00 34.44 H new ATOM 0 HE2 HIS A 108 -14.516 -22.184 11.940 1.00 73.14 H new ATOM 1734 N LEU A 109 -15.065 -19.643 6.407 1.00 34.23 N ATOM 1735 CA LEU A 109 -15.456 -18.264 6.713 1.00 52.25 C ATOM 1736 C LEU A 109 -16.901 -17.996 6.284 1.00 1.11 C ATOM 1737 O LEU A 109 -17.706 -17.486 7.062 1.00 74.23 O ATOM 1738 CB LEU A 109 -14.522 -17.272 6.004 1.00 13.35 C ATOM 1739 CG LEU A 109 -13.050 -17.330 6.430 1.00 2.30 C ATOM 1740 CD1 LEU A 109 -12.216 -16.332 5.629 1.00 54.20 C ATOM 1741 CD2 LEU A 109 -12.918 -17.070 7.927 1.00 1.33 C ATOM 0 H LEU A 109 -14.300 -19.722 5.737 1.00 34.23 H new ATOM 0 HA LEU A 109 -15.378 -18.128 7.792 1.00 52.25 H new ATOM 0 HB2 LEU A 109 -14.579 -17.451 4.930 1.00 13.35 H new ATOM 0 HB3 LEU A 109 -14.893 -16.262 6.179 1.00 13.35 H new ATOM 0 HG LEU A 109 -12.670 -18.330 6.222 1.00 2.30 H new ATOM 0 HD11 LEU A 109 -11.175 -16.390 5.947 1.00 54.20 H new ATOM 0 HD12 LEU A 109 -12.285 -16.570 4.567 1.00 54.20 H new ATOM 0 HD13 LEU A 109 -12.592 -15.323 5.800 1.00 54.20 H new ATOM 0 HD21 LEU A 109 -11.867 -17.115 8.213 1.00 1.33 H new ATOM 0 HD22 LEU A 109 -13.316 -16.083 8.161 1.00 1.33 H new ATOM 0 HD23 LEU A 109 -13.476 -17.827 8.478 1.00 1.33 H new ATOM 1753 N LYS A 110 -17.225 -18.357 5.045 1.00 40.43 N ATOM 1754 CA LYS A 110 -18.571 -18.152 4.508 1.00 35.20 C ATOM 1755 C LYS A 110 -19.634 -18.859 5.363 1.00 23.22 C ATOM 1756 O LYS A 110 -20.703 -18.303 5.631 1.00 52.33 O ATOM 1757 CB LYS A 110 -18.641 -18.643 3.056 1.00 31.12 C ATOM 1758 CG LYS A 110 -20.013 -18.470 2.416 1.00 55.25 C ATOM 1759 CD LYS A 110 -19.987 -18.777 0.924 1.00 43.31 C ATOM 1760 CE LYS A 110 -21.365 -18.628 0.300 1.00 72.01 C ATOM 1761 NZ LYS A 110 -21.328 -18.799 -1.174 1.00 15.51 N ATOM 0 H LYS A 110 -16.574 -18.794 4.392 1.00 40.43 H new ATOM 0 HA LYS A 110 -18.783 -17.083 4.535 1.00 35.20 H new ATOM 0 HB2 LYS A 110 -17.903 -18.103 2.463 1.00 31.12 H new ATOM 0 HB3 LYS A 110 -18.366 -19.697 3.025 1.00 31.12 H new ATOM 0 HG2 LYS A 110 -20.729 -19.127 2.909 1.00 55.25 H new ATOM 0 HG3 LYS A 110 -20.359 -17.448 2.570 1.00 55.25 H new ATOM 0 HD2 LYS A 110 -19.287 -18.107 0.426 1.00 43.31 H new ATOM 0 HD3 LYS A 110 -19.623 -19.792 0.767 1.00 43.31 H new ATOM 0 HE2 LYS A 110 -22.041 -19.365 0.734 1.00 72.01 H new ATOM 0 HE3 LYS A 110 -21.768 -17.644 0.541 1.00 72.01 H new ATOM 0 HZ1 LYS A 110 -22.298 -18.791 -1.549 1.00 15.51 H new ATOM 0 HZ2 LYS A 110 -20.786 -18.021 -1.600 1.00 15.51 H new ATOM 0 HZ3 LYS A 110 -20.874 -19.705 -1.407 1.00 15.51 H new ATOM 1775 N THR A 111 -19.322 -20.079 5.796 1.00 33.21 N ATOM 1776 CA THR A 111 -20.221 -20.861 6.659 1.00 32.32 C ATOM 1777 C THR A 111 -20.514 -20.138 7.985 1.00 31.33 C ATOM 1778 O THR A 111 -21.651 -20.126 8.458 1.00 63.30 O ATOM 1779 CB THR A 111 -19.627 -22.260 6.964 1.00 30.24 C ATOM 1780 OG1 THR A 111 -19.440 -22.988 5.739 1.00 43.54 O ATOM 1781 CG2 THR A 111 -20.531 -23.064 7.897 1.00 23.23 C ATOM 0 H THR A 111 -18.450 -20.554 5.565 1.00 33.21 H new ATOM 0 HA THR A 111 -21.156 -20.976 6.110 1.00 32.32 H new ATOM 0 HB THR A 111 -18.668 -22.112 7.461 1.00 30.24 H new ATOM 0 HG1 THR A 111 -18.668 -22.624 5.257 1.00 43.54 H new ATOM 0 HG21 THR A 111 -20.082 -24.039 8.088 1.00 23.23 H new ATOM 0 HG22 THR A 111 -20.650 -22.528 8.839 1.00 23.23 H new ATOM 0 HG23 THR A 111 -21.507 -23.199 7.431 1.00 23.23 H new ATOM 1789 N ILE A 112 -19.487 -19.530 8.581 1.00 52.24 N ATOM 1790 CA ILE A 112 -19.649 -18.801 9.851 1.00 73.34 C ATOM 1791 C ILE A 112 -19.891 -17.292 9.628 1.00 72.33 C ATOM 1792 O ILE A 112 -19.634 -16.474 10.512 1.00 31.51 O ATOM 1793 CB ILE A 112 -18.422 -19.007 10.781 1.00 74.44 C ATOM 1794 CG1 ILE A 112 -17.128 -18.537 10.095 1.00 13.15 C ATOM 1795 CG2 ILE A 112 -18.311 -20.474 11.200 1.00 62.35 C ATOM 1796 CD1 ILE A 112 -15.883 -18.690 10.947 1.00 23.34 C ATOM 0 H ILE A 112 -18.536 -19.525 8.211 1.00 52.24 H new ATOM 0 HA ILE A 112 -20.532 -19.217 10.336 1.00 73.34 H new ATOM 0 HB ILE A 112 -18.566 -18.402 11.676 1.00 74.44 H new ATOM 0 HG12 ILE A 112 -16.994 -19.100 9.171 1.00 13.15 H new ATOM 0 HG13 ILE A 112 -17.238 -17.489 9.816 1.00 13.15 H new ATOM 0 HG21 ILE A 112 -17.446 -20.602 11.851 1.00 62.35 H new ATOM 0 HG22 ILE A 112 -19.214 -20.769 11.734 1.00 62.35 H new ATOM 0 HG23 ILE A 112 -18.193 -21.098 10.314 1.00 62.35 H new ATOM 0 HD11 ILE A 112 -15.015 -18.336 10.390 1.00 23.34 H new ATOM 0 HD12 ILE A 112 -15.992 -18.104 11.860 1.00 23.34 H new ATOM 0 HD13 ILE A 112 -15.745 -19.740 11.205 1.00 23.34 H new ATOM 1808 N ASN A 113 -20.403 -16.940 8.440 1.00 60.22 N ATOM 1809 CA ASN A 113 -20.799 -15.552 8.103 1.00 41.34 C ATOM 1810 C ASN A 113 -19.595 -14.602 7.940 1.00 20.04 C ATOM 1811 O ASN A 113 -19.763 -13.419 7.647 1.00 4.23 O ATOM 1812 CB ASN A 113 -21.767 -14.988 9.157 1.00 41.52 C ATOM 1813 CG ASN A 113 -23.017 -15.834 9.322 1.00 0.01 C ATOM 1814 OD1 ASN A 113 -24.009 -15.645 8.624 1.00 71.20 O ATOM 1815 ND2 ASN A 113 -22.990 -16.765 10.254 1.00 51.20 N ATOM 0 H ASN A 113 -20.557 -17.604 7.681 1.00 60.22 H new ATOM 0 HA ASN A 113 -21.300 -15.607 7.137 1.00 41.34 H new ATOM 0 HB2 ASN A 113 -21.252 -14.918 10.115 1.00 41.52 H new ATOM 0 HB3 ASN A 113 -22.054 -13.975 8.875 1.00 41.52 H new ATOM 0 HD21 ASN A 113 -23.809 -17.353 10.411 1.00 51.20 H new ATOM 0 HD22 ASN A 113 -22.151 -16.898 10.818 1.00 51.20 H new ATOM 1822 N GLN A 114 -18.385 -15.130 8.088 1.00 45.45 N ATOM 1823 CA GLN A 114 -17.163 -14.313 8.060 1.00 71.35 C ATOM 1824 C GLN A 114 -16.632 -14.092 6.629 1.00 15.41 C ATOM 1825 O GLN A 114 -15.420 -14.012 6.420 1.00 71.35 O ATOM 1826 CB GLN A 114 -16.084 -14.985 8.920 1.00 22.40 C ATOM 1827 CG GLN A 114 -16.456 -15.100 10.396 1.00 63.51 C ATOM 1828 CD GLN A 114 -16.460 -13.761 11.112 1.00 23.25 C ATOM 1829 OE1 GLN A 114 -17.466 -13.061 11.149 1.00 54.22 O ATOM 1830 NE2 GLN A 114 -15.338 -13.403 11.699 1.00 14.02 N ATOM 0 H GLN A 114 -18.217 -16.126 8.230 1.00 45.45 H new ATOM 0 HA GLN A 114 -17.413 -13.331 8.462 1.00 71.35 H new ATOM 0 HB2 GLN A 114 -15.887 -15.982 8.526 1.00 22.40 H new ATOM 0 HB3 GLN A 114 -15.157 -14.418 8.832 1.00 22.40 H new ATOM 0 HG2 GLN A 114 -17.443 -15.555 10.482 1.00 63.51 H new ATOM 0 HG3 GLN A 114 -15.752 -15.769 10.892 1.00 63.51 H new ATOM 0 HE21 GLN A 114 -14.520 -14.010 11.648 1.00 14.02 H new ATOM 0 HE22 GLN A 114 -15.287 -12.519 12.205 1.00 14.02 H new ATOM 1839 N GLU A 115 -17.536 -13.955 5.655 1.00 5.21 N ATOM 1840 CA GLU A 115 -17.140 -13.684 4.261 1.00 62.00 C ATOM 1841 C GLU A 115 -16.283 -12.411 4.150 1.00 44.32 C ATOM 1842 O GLU A 115 -15.402 -12.320 3.296 1.00 33.12 O ATOM 1843 CB GLU A 115 -18.377 -13.567 3.354 1.00 10.54 C ATOM 1844 CG GLU A 115 -19.021 -14.908 3.016 1.00 33.42 C ATOM 1845 CD GLU A 115 -20.255 -14.775 2.135 1.00 33.43 C ATOM 1846 OE1 GLU A 115 -20.101 -14.555 0.915 1.00 61.54 O ATOM 1847 OE2 GLU A 115 -21.383 -14.903 2.656 1.00 54.12 O ATOM 0 H GLU A 115 -18.543 -14.026 5.800 1.00 5.21 H new ATOM 0 HA GLU A 115 -16.535 -14.528 3.928 1.00 62.00 H new ATOM 0 HB2 GLU A 115 -19.116 -12.933 3.843 1.00 10.54 H new ATOM 0 HB3 GLU A 115 -18.091 -13.068 2.428 1.00 10.54 H new ATOM 0 HG2 GLU A 115 -18.289 -15.539 2.512 1.00 33.42 H new ATOM 0 HG3 GLU A 115 -19.296 -15.415 3.941 1.00 33.42 H new ATOM 1854 N SER A 116 -16.538 -11.440 5.029 1.00 13.15 N ATOM 1855 CA SER A 116 -15.745 -10.202 5.079 1.00 32.21 C ATOM 1856 C SER A 116 -14.248 -10.504 5.244 1.00 5.52 C ATOM 1857 O SER A 116 -13.395 -9.777 4.736 1.00 73.44 O ATOM 1858 CB SER A 116 -16.214 -9.315 6.242 1.00 33.13 C ATOM 1859 OG SER A 116 -17.606 -9.042 6.160 1.00 3.13 O ATOM 0 H SER A 116 -17.288 -11.484 5.719 1.00 13.15 H new ATOM 0 HA SER A 116 -15.893 -9.678 4.135 1.00 32.21 H new ATOM 0 HB2 SER A 116 -15.994 -9.808 7.189 1.00 33.13 H new ATOM 0 HB3 SER A 116 -15.657 -8.378 6.234 1.00 33.13 H new ATOM 0 HG SER A 116 -17.874 -8.477 6.915 1.00 3.13 H new ATOM 1865 N SER A 117 -13.943 -11.593 5.949 1.00 52.21 N ATOM 1866 CA SER A 117 -12.553 -12.004 6.209 1.00 44.12 C ATOM 1867 C SER A 117 -11.851 -12.513 4.938 1.00 22.11 C ATOM 1868 O SER A 117 -10.630 -12.419 4.823 1.00 70.51 O ATOM 1869 CB SER A 117 -12.505 -13.092 7.294 1.00 32.14 C ATOM 1870 OG SER A 117 -13.081 -12.641 8.511 1.00 14.14 O ATOM 0 H SER A 117 -14.642 -12.215 6.356 1.00 52.21 H new ATOM 0 HA SER A 117 -12.021 -11.118 6.555 1.00 44.12 H new ATOM 0 HB2 SER A 117 -13.036 -13.978 6.946 1.00 32.14 H new ATOM 0 HB3 SER A 117 -11.471 -13.388 7.468 1.00 32.14 H new ATOM 0 HG SER A 117 -13.036 -13.357 9.179 1.00 14.14 H new ATOM 1876 N ILE A 118 -12.626 -13.052 3.993 1.00 44.42 N ATOM 1877 CA ILE A 118 -12.073 -13.605 2.745 1.00 5.25 C ATOM 1878 C ILE A 118 -11.195 -12.586 1.994 1.00 10.14 C ATOM 1879 O ILE A 118 -10.132 -12.931 1.472 1.00 10.13 O ATOM 1880 CB ILE A 118 -13.207 -14.085 1.796 1.00 64.54 C ATOM 1881 CG1 ILE A 118 -14.018 -15.216 2.451 1.00 21.55 C ATOM 1882 CG2 ILE A 118 -12.642 -14.536 0.444 1.00 61.12 C ATOM 1883 CD1 ILE A 118 -15.176 -15.710 1.606 1.00 20.14 C ATOM 0 H ILE A 118 -13.641 -13.119 4.065 1.00 44.42 H new ATOM 0 HA ILE A 118 -11.451 -14.451 3.036 1.00 5.25 H new ATOM 0 HB ILE A 118 -13.874 -13.242 1.615 1.00 64.54 H new ATOM 0 HG12 ILE A 118 -13.352 -16.053 2.662 1.00 21.55 H new ATOM 0 HG13 ILE A 118 -14.403 -14.866 3.409 1.00 21.55 H new ATOM 0 HG21 ILE A 118 -13.458 -14.866 -0.199 1.00 61.12 H new ATOM 0 HG22 ILE A 118 -12.121 -13.703 -0.029 1.00 61.12 H new ATOM 0 HG23 ILE A 118 -11.945 -15.360 0.598 1.00 61.12 H new ATOM 0 HD11 ILE A 118 -15.699 -16.507 2.135 1.00 20.14 H new ATOM 0 HD12 ILE A 118 -15.865 -14.887 1.416 1.00 20.14 H new ATOM 0 HD13 ILE A 118 -14.798 -16.092 0.658 1.00 20.14 H new ATOM 1895 N GLU A 119 -11.638 -11.331 1.954 1.00 1.13 N ATOM 1896 CA GLU A 119 -10.948 -10.295 1.177 1.00 3.34 C ATOM 1897 C GLU A 119 -9.535 -9.979 1.724 1.00 71.01 C ATOM 1898 O GLU A 119 -8.556 -10.077 0.977 1.00 50.15 O ATOM 1899 CB GLU A 119 -11.811 -9.026 1.081 1.00 23.13 C ATOM 1900 CG GLU A 119 -13.188 -9.281 0.471 1.00 71.04 C ATOM 1901 CD GLU A 119 -13.914 -8.004 0.086 1.00 53.34 C ATOM 1902 OE1 GLU A 119 -13.548 -7.403 -0.943 1.00 54.25 O ATOM 1903 OE2 GLU A 119 -14.852 -7.599 0.800 1.00 73.32 O ATOM 0 H GLU A 119 -12.469 -11.004 2.448 1.00 1.13 H new ATOM 0 HA GLU A 119 -10.803 -10.691 0.172 1.00 3.34 H new ATOM 0 HB2 GLU A 119 -11.935 -8.602 2.078 1.00 23.13 H new ATOM 0 HB3 GLU A 119 -11.287 -8.282 0.481 1.00 23.13 H new ATOM 0 HG2 GLU A 119 -13.077 -9.909 -0.413 1.00 71.04 H new ATOM 0 HG3 GLU A 119 -13.797 -9.838 1.183 1.00 71.04 H new ATOM 1910 N PRO A 120 -9.386 -9.603 3.022 1.00 61.34 N ATOM 1911 CA PRO A 120 -8.054 -9.376 3.618 1.00 3.13 C ATOM 1912 C PRO A 120 -7.222 -10.668 3.701 1.00 5.41 C ATOM 1913 O PRO A 120 -5.991 -10.633 3.663 1.00 63.41 O ATOM 1914 CB PRO A 120 -8.367 -8.834 5.023 1.00 31.52 C ATOM 1915 CG PRO A 120 -9.747 -9.317 5.319 1.00 40.04 C ATOM 1916 CD PRO A 120 -10.467 -9.346 3.995 1.00 1.04 C ATOM 0 HA PRO A 120 -7.453 -8.694 3.018 1.00 3.13 H new ATOM 0 HB2 PRO A 120 -7.652 -9.204 5.758 1.00 31.52 H new ATOM 0 HB3 PRO A 120 -8.315 -7.746 5.048 1.00 31.52 H new ATOM 0 HG2 PRO A 120 -9.725 -10.307 5.774 1.00 40.04 H new ATOM 0 HG3 PRO A 120 -10.250 -8.654 6.023 1.00 40.04 H new ATOM 0 HD2 PRO A 120 -11.226 -10.128 3.968 1.00 1.04 H new ATOM 0 HD3 PRO A 120 -10.974 -8.402 3.793 1.00 1.04 H new ATOM 1924 N LEU A 121 -7.901 -11.812 3.809 1.00 12.32 N ATOM 1925 CA LEU A 121 -7.223 -13.112 3.806 1.00 51.10 C ATOM 1926 C LEU A 121 -6.541 -13.342 2.449 1.00 71.34 C ATOM 1927 O LEU A 121 -5.385 -13.754 2.385 1.00 53.33 O ATOM 1928 CB LEU A 121 -8.231 -14.238 4.119 1.00 30.30 C ATOM 1929 CG LEU A 121 -7.632 -15.599 4.554 1.00 71.45 C ATOM 1930 CD1 LEU A 121 -8.697 -16.458 5.230 1.00 14.44 C ATOM 1931 CD2 LEU A 121 -7.032 -16.358 3.370 1.00 42.11 C ATOM 0 H LEU A 121 -8.916 -11.866 3.899 1.00 12.32 H new ATOM 0 HA LEU A 121 -6.456 -13.120 4.581 1.00 51.10 H new ATOM 0 HB2 LEU A 121 -8.897 -13.890 4.909 1.00 30.30 H new ATOM 0 HB3 LEU A 121 -8.845 -14.403 3.233 1.00 30.30 H new ATOM 0 HG LEU A 121 -6.831 -15.390 5.263 1.00 71.45 H new ATOM 0 HD11 LEU A 121 -8.260 -17.411 5.529 1.00 14.44 H new ATOM 0 HD12 LEU A 121 -9.077 -15.940 6.111 1.00 14.44 H new ATOM 0 HD13 LEU A 121 -9.516 -16.638 4.533 1.00 14.44 H new ATOM 0 HD21 LEU A 121 -6.622 -17.307 3.716 1.00 42.11 H new ATOM 0 HD22 LEU A 121 -7.808 -16.547 2.628 1.00 42.11 H new ATOM 0 HD23 LEU A 121 -6.238 -15.762 2.921 1.00 42.11 H new ATOM 1943 N ALA A 122 -7.261 -13.052 1.367 1.00 42.12 N ATOM 1944 CA ALA A 122 -6.696 -13.130 0.016 1.00 45.53 C ATOM 1945 C ALA A 122 -5.453 -12.236 -0.119 1.00 41.01 C ATOM 1946 O ALA A 122 -4.479 -12.600 -0.780 1.00 30.34 O ATOM 1947 CB ALA A 122 -7.748 -12.739 -1.016 1.00 71.05 C ATOM 0 H ALA A 122 -8.238 -12.760 1.397 1.00 42.12 H new ATOM 0 HA ALA A 122 -6.388 -14.160 -0.165 1.00 45.53 H new ATOM 0 HB1 ALA A 122 -7.318 -12.800 -2.016 1.00 71.05 H new ATOM 0 HB2 ALA A 122 -8.598 -13.418 -0.944 1.00 71.05 H new ATOM 0 HB3 ALA A 122 -8.082 -11.719 -0.827 1.00 71.05 H new ATOM 1953 N GLU A 123 -5.495 -11.070 0.524 1.00 61.34 N ATOM 1954 CA GLU A 123 -4.368 -10.134 0.505 1.00 40.34 C ATOM 1955 C GLU A 123 -3.174 -10.662 1.325 1.00 2.35 C ATOM 1956 O GLU A 123 -2.024 -10.468 0.937 1.00 62.10 O ATOM 1957 CB GLU A 123 -4.812 -8.754 1.017 1.00 24.02 C ATOM 1958 CG GLU A 123 -5.882 -8.093 0.148 1.00 14.23 C ATOM 1959 CD GLU A 123 -6.269 -6.701 0.635 1.00 71.11 C ATOM 1960 OE1 GLU A 123 -7.177 -6.592 1.484 1.00 73.22 O ATOM 1961 OE2 GLU A 123 -5.661 -5.710 0.168 1.00 73.20 O ATOM 0 H GLU A 123 -6.298 -10.749 1.066 1.00 61.34 H new ATOM 0 HA GLU A 123 -4.034 -10.035 -0.528 1.00 40.34 H new ATOM 0 HB2 GLU A 123 -5.194 -8.858 2.032 1.00 24.02 H new ATOM 0 HB3 GLU A 123 -3.943 -8.098 1.069 1.00 24.02 H new ATOM 0 HG2 GLU A 123 -5.518 -8.025 -0.877 1.00 14.23 H new ATOM 0 HG3 GLU A 123 -6.770 -8.725 0.130 1.00 14.23 H new ATOM 1968 N SER A 124 -3.448 -11.343 2.449 1.00 12.20 N ATOM 1969 CA SER A 124 -2.372 -11.912 3.292 1.00 30.42 C ATOM 1970 C SER A 124 -1.565 -12.968 2.528 1.00 35.31 C ATOM 1971 O SER A 124 -0.340 -13.025 2.636 1.00 43.14 O ATOM 1972 CB SER A 124 -2.925 -12.549 4.579 1.00 24.22 C ATOM 1973 OG SER A 124 -3.648 -13.738 4.307 1.00 75.23 O ATOM 0 H SER A 124 -4.392 -11.514 2.796 1.00 12.20 H new ATOM 0 HA SER A 124 -1.723 -11.079 3.560 1.00 30.42 H new ATOM 0 HB2 SER A 124 -2.102 -12.771 5.258 1.00 24.22 H new ATOM 0 HB3 SER A 124 -3.574 -11.837 5.088 1.00 24.22 H new ATOM 0 HG SER A 124 -4.416 -13.530 3.735 1.00 75.23 H new ATOM 1979 N ILE A 125 -2.265 -13.805 1.761 1.00 0.14 N ATOM 1980 CA ILE A 125 -1.617 -14.826 0.930 1.00 51.25 C ATOM 1981 C ILE A 125 -0.540 -14.200 0.029 1.00 4.20 C ATOM 1982 O ILE A 125 0.617 -14.628 0.018 1.00 2.20 O ATOM 1983 CB ILE A 125 -2.653 -15.565 0.039 1.00 63.40 C ATOM 1984 CG1 ILE A 125 -3.805 -16.124 0.891 1.00 12.24 C ATOM 1985 CG2 ILE A 125 -1.984 -16.687 -0.756 1.00 54.12 C ATOM 1986 CD1 ILE A 125 -3.367 -17.118 1.944 1.00 1.35 C ATOM 0 H ILE A 125 -3.283 -13.797 1.697 1.00 0.14 H new ATOM 0 HA ILE A 125 -1.151 -15.542 1.607 1.00 51.25 H new ATOM 0 HB ILE A 125 -3.066 -14.844 -0.666 1.00 63.40 H new ATOM 0 HG12 ILE A 125 -4.317 -15.295 1.380 1.00 12.24 H new ATOM 0 HG13 ILE A 125 -4.530 -16.603 0.233 1.00 12.24 H new ATOM 0 HG21 ILE A 125 -2.729 -17.190 -1.372 1.00 54.12 H new ATOM 0 HG22 ILE A 125 -1.208 -16.267 -1.395 1.00 54.12 H new ATOM 0 HG23 ILE A 125 -1.538 -17.405 -0.068 1.00 54.12 H new ATOM 0 HD11 ILE A 125 -4.237 -17.465 2.501 1.00 1.35 H new ATOM 0 HD12 ILE A 125 -2.882 -17.967 1.463 1.00 1.35 H new ATOM 0 HD13 ILE A 125 -2.666 -16.639 2.627 1.00 1.35 H new ATOM 1998 N THR A 126 -0.934 -13.173 -0.717 1.00 52.34 N ATOM 1999 CA THR A 126 -0.013 -12.449 -1.596 1.00 24.51 C ATOM 2000 C THR A 126 1.010 -11.630 -0.790 1.00 41.45 C ATOM 2001 O THR A 126 2.157 -11.477 -1.206 1.00 43.05 O ATOM 2002 CB THR A 126 -0.782 -11.503 -2.554 1.00 44.32 C ATOM 2003 OG1 THR A 126 -1.840 -12.219 -3.212 1.00 15.50 O ATOM 2004 CG2 THR A 126 0.149 -10.899 -3.602 1.00 4.04 C ATOM 0 H THR A 126 -1.891 -12.819 -0.732 1.00 52.34 H new ATOM 0 HA THR A 126 0.519 -13.199 -2.182 1.00 24.51 H new ATOM 0 HB THR A 126 -1.202 -10.694 -1.956 1.00 44.32 H new ATOM 0 HG1 THR A 126 -2.701 -11.804 -2.994 1.00 15.50 H new ATOM 0 HG21 THR A 126 -0.420 -10.241 -4.258 1.00 4.04 H new ATOM 0 HG22 THR A 126 0.933 -10.327 -3.106 1.00 4.04 H new ATOM 0 HG23 THR A 126 0.600 -11.697 -4.191 1.00 4.04 H new ATOM 2012 N ASP A 127 0.592 -11.112 0.365 1.00 10.42 N ATOM 2013 CA ASP A 127 1.471 -10.308 1.226 1.00 24.14 C ATOM 2014 C ASP A 127 2.706 -11.108 1.668 1.00 34.04 C ATOM 2015 O ASP A 127 3.841 -10.674 1.467 1.00 34.44 O ATOM 2016 CB ASP A 127 0.691 -9.819 2.452 1.00 75.14 C ATOM 2017 CG ASP A 127 1.529 -8.948 3.374 1.00 24.15 C ATOM 2018 OD1 ASP A 127 1.614 -7.725 3.132 1.00 34.41 O ATOM 2019 OD2 ASP A 127 2.108 -9.479 4.347 1.00 13.24 O ATOM 0 H ASP A 127 -0.353 -11.233 0.730 1.00 10.42 H new ATOM 0 HA ASP A 127 1.818 -9.450 0.651 1.00 24.14 H new ATOM 0 HB2 ASP A 127 -0.181 -9.256 2.121 1.00 75.14 H new ATOM 0 HB3 ASP A 127 0.322 -10.680 3.009 1.00 75.14 H new ATOM 2024 N VAL A 128 2.478 -12.292 2.235 1.00 43.33 N ATOM 2025 CA VAL A 128 3.575 -13.167 2.662 1.00 61.31 C ATOM 2026 C VAL A 128 4.388 -13.655 1.451 1.00 34.13 C ATOM 2027 O VAL A 128 5.620 -13.703 1.488 1.00 22.12 O ATOM 2028 CB VAL A 128 3.048 -14.392 3.453 1.00 11.41 C ATOM 2029 CG1 VAL A 128 4.202 -15.285 3.914 1.00 3.10 C ATOM 2030 CG2 VAL A 128 2.203 -13.940 4.642 1.00 14.12 C ATOM 0 H VAL A 128 1.547 -12.669 2.410 1.00 43.33 H new ATOM 0 HA VAL A 128 4.219 -12.579 3.316 1.00 61.31 H new ATOM 0 HB VAL A 128 2.416 -14.979 2.787 1.00 11.41 H new ATOM 0 HG11 VAL A 128 3.805 -16.137 4.466 1.00 3.10 H new ATOM 0 HG12 VAL A 128 4.755 -15.642 3.045 1.00 3.10 H new ATOM 0 HG13 VAL A 128 4.869 -14.713 4.559 1.00 3.10 H new ATOM 0 HG21 VAL A 128 1.842 -14.814 5.185 1.00 14.12 H new ATOM 0 HG22 VAL A 128 2.810 -13.325 5.307 1.00 14.12 H new ATOM 0 HG23 VAL A 128 1.353 -13.358 4.284 1.00 14.12 H new ATOM 2040 N LEU A 129 3.680 -13.999 0.377 1.00 12.40 N ATOM 2041 CA LEU A 129 4.307 -14.441 -0.871 1.00 14.33 C ATOM 2042 C LEU A 129 5.328 -13.406 -1.386 1.00 25.11 C ATOM 2043 O LEU A 129 6.492 -13.730 -1.642 1.00 74.13 O ATOM 2044 CB LEU A 129 3.216 -14.672 -1.927 1.00 22.41 C ATOM 2045 CG LEU A 129 3.698 -15.227 -3.273 1.00 53.02 C ATOM 2046 CD1 LEU A 129 4.300 -16.617 -3.098 1.00 41.10 C ATOM 2047 CD2 LEU A 129 2.551 -15.257 -4.284 1.00 53.14 C ATOM 0 H LEU A 129 2.661 -13.980 0.345 1.00 12.40 H new ATOM 0 HA LEU A 129 4.845 -15.370 -0.680 1.00 14.33 H new ATOM 0 HB2 LEU A 129 2.478 -15.360 -1.515 1.00 22.41 H new ATOM 0 HB3 LEU A 129 2.705 -13.726 -2.107 1.00 22.41 H new ATOM 0 HG LEU A 129 4.475 -14.566 -3.657 1.00 53.02 H new ATOM 0 HD11 LEU A 129 4.636 -16.992 -4.065 1.00 41.10 H new ATOM 0 HD12 LEU A 129 5.148 -16.563 -2.415 1.00 41.10 H new ATOM 0 HD13 LEU A 129 3.547 -17.291 -2.689 1.00 41.10 H new ATOM 0 HD21 LEU A 129 2.912 -15.654 -5.233 1.00 53.14 H new ATOM 0 HD22 LEU A 129 1.750 -15.892 -3.907 1.00 53.14 H new ATOM 0 HD23 LEU A 129 2.172 -14.246 -4.434 1.00 53.14 H new ATOM 2059 N VAL A 130 4.887 -12.157 -1.505 1.00 75.21 N ATOM 2060 CA VAL A 130 5.733 -11.062 -1.995 1.00 53.35 C ATOM 2061 C VAL A 130 6.740 -10.597 -0.925 1.00 11.25 C ATOM 2062 O VAL A 130 7.819 -10.093 -1.246 1.00 61.31 O ATOM 2063 CB VAL A 130 4.856 -9.863 -2.453 1.00 44.24 C ATOM 2064 CG1 VAL A 130 5.705 -8.663 -2.868 1.00 24.33 C ATOM 2065 CG2 VAL A 130 3.935 -10.287 -3.596 1.00 12.13 C ATOM 0 H VAL A 130 3.937 -11.871 -1.267 1.00 75.21 H new ATOM 0 HA VAL A 130 6.298 -11.442 -2.846 1.00 53.35 H new ATOM 0 HB VAL A 130 4.249 -9.554 -1.602 1.00 44.24 H new ATOM 0 HG11 VAL A 130 5.053 -7.847 -3.181 1.00 24.33 H new ATOM 0 HG12 VAL A 130 6.313 -8.338 -2.024 1.00 24.33 H new ATOM 0 HG13 VAL A 130 6.355 -8.946 -3.696 1.00 24.33 H new ATOM 0 HG21 VAL A 130 3.326 -9.438 -3.907 1.00 12.13 H new ATOM 0 HG22 VAL A 130 4.535 -10.631 -4.438 1.00 12.13 H new ATOM 0 HG23 VAL A 130 3.285 -11.095 -3.259 1.00 12.13 H new ATOM 2075 N ARG A 131 6.388 -10.783 0.345 1.00 21.51 N ATOM 2076 CA ARG A 131 7.249 -10.388 1.469 1.00 51.23 C ATOM 2077 C ARG A 131 8.607 -11.119 1.442 1.00 73.13 C ATOM 2078 O ARG A 131 9.602 -10.616 1.966 1.00 44.32 O ATOM 2079 CB ARG A 131 6.509 -10.651 2.799 1.00 71.33 C ATOM 2080 CG ARG A 131 7.228 -10.157 4.062 1.00 4.32 C ATOM 2081 CD ARG A 131 8.050 -11.255 4.737 1.00 32.33 C ATOM 2082 NE ARG A 131 8.709 -10.778 5.956 1.00 54.10 N ATOM 2083 CZ ARG A 131 8.550 -11.310 7.142 1.00 72.35 C ATOM 2084 NH1 ARG A 131 7.688 -12.257 7.333 1.00 54.43 N ATOM 2085 NH2 ARG A 131 9.221 -10.862 8.154 1.00 4.04 N ATOM 0 H ARG A 131 5.505 -11.208 0.628 1.00 21.51 H new ATOM 0 HA ARG A 131 7.464 -9.323 1.377 1.00 51.23 H new ATOM 0 HB2 ARG A 131 5.529 -10.176 2.750 1.00 71.33 H new ATOM 0 HB3 ARG A 131 6.339 -11.723 2.894 1.00 71.33 H new ATOM 0 HG2 ARG A 131 7.883 -9.326 3.801 1.00 4.32 H new ATOM 0 HG3 ARG A 131 6.492 -9.773 4.768 1.00 4.32 H new ATOM 0 HD2 ARG A 131 7.400 -12.095 4.981 1.00 32.33 H new ATOM 0 HD3 ARG A 131 8.802 -11.625 4.040 1.00 32.33 H new ATOM 0 HE ARG A 131 9.335 -9.976 5.875 1.00 54.10 H new ATOM 0 HH11 ARG A 131 7.123 -12.597 6.555 1.00 54.43 H new ATOM 0 HH12 ARG A 131 7.574 -12.663 8.262 1.00 54.43 H new ATOM 0 HH21 ARG A 131 9.877 -10.091 8.030 1.00 4.04 H new ATOM 0 HH22 ARG A 131 9.094 -11.280 9.076 1.00 4.04 H new ATOM 2099 N THR A 132 8.648 -12.310 0.842 1.00 24.31 N ATOM 2100 CA THR A 132 9.896 -13.094 0.777 1.00 5.43 C ATOM 2101 C THR A 132 10.229 -13.634 -0.635 1.00 62.15 C ATOM 2102 O THR A 132 11.391 -13.600 -1.044 1.00 71.41 O ATOM 2103 CB THR A 132 9.894 -14.257 1.805 1.00 64.03 C ATOM 2104 OG1 THR A 132 10.792 -15.302 1.395 1.00 14.12 O ATOM 2105 CG2 THR A 132 8.492 -14.820 2.011 1.00 54.14 C ATOM 0 H THR A 132 7.845 -12.754 0.397 1.00 24.31 H new ATOM 0 HA THR A 132 10.685 -12.387 1.034 1.00 5.43 H new ATOM 0 HB THR A 132 10.238 -13.851 2.756 1.00 64.03 H new ATOM 0 HG1 THR A 132 11.150 -15.755 2.187 1.00 14.12 H new ATOM 0 HG21 THR A 132 8.529 -15.632 2.737 1.00 54.14 H new ATOM 0 HG22 THR A 132 7.835 -14.033 2.380 1.00 54.14 H new ATOM 0 HG23 THR A 132 8.109 -15.198 1.063 1.00 54.14 H new ATOM 2113 N LYS A 133 9.232 -14.120 -1.387 1.00 11.12 N ATOM 2114 CA LYS A 133 9.500 -14.756 -2.701 1.00 24.43 C ATOM 2115 C LYS A 133 9.165 -13.852 -3.908 1.00 30.25 C ATOM 2116 O LYS A 133 9.008 -14.354 -5.023 1.00 44.11 O ATOM 2117 CB LYS A 133 8.736 -16.090 -2.841 1.00 44.31 C ATOM 2118 CG LYS A 133 9.257 -17.217 -1.946 1.00 41.15 C ATOM 2119 CD LYS A 133 8.762 -17.087 -0.511 1.00 23.04 C ATOM 2120 CE LYS A 133 9.391 -18.128 0.411 1.00 40.50 C ATOM 2121 NZ LYS A 133 10.855 -17.925 0.576 1.00 74.54 N ATOM 0 H LYS A 133 8.247 -14.090 -1.122 1.00 11.12 H new ATOM 0 HA LYS A 133 10.575 -14.936 -2.717 1.00 24.43 H new ATOM 0 HB2 LYS A 133 7.684 -15.918 -2.612 1.00 44.31 H new ATOM 0 HB3 LYS A 133 8.786 -16.416 -3.880 1.00 44.31 H new ATOM 0 HG2 LYS A 133 8.940 -18.177 -2.352 1.00 41.15 H new ATOM 0 HG3 LYS A 133 10.347 -17.211 -1.955 1.00 41.15 H new ATOM 0 HD2 LYS A 133 8.990 -16.088 -0.138 1.00 23.04 H new ATOM 0 HD3 LYS A 133 7.677 -17.194 -0.491 1.00 23.04 H new ATOM 0 HE2 LYS A 133 8.908 -18.084 1.387 1.00 40.50 H new ATOM 0 HE3 LYS A 133 9.208 -19.124 0.009 1.00 40.50 H new ATOM 0 HZ1 LYS A 133 11.181 -18.424 1.429 1.00 74.54 H new ATOM 0 HZ2 LYS A 133 11.353 -18.300 -0.256 1.00 74.54 H new ATOM 0 HZ3 LYS A 133 11.056 -16.909 0.671 1.00 74.54 H new ATOM 2135 N ARG A 134 9.092 -12.532 -3.710 1.00 71.04 N ATOM 2136 CA ARG A 134 8.808 -11.606 -4.825 1.00 52.41 C ATOM 2137 C ARG A 134 9.820 -11.773 -5.972 1.00 42.11 C ATOM 2138 O ARG A 134 9.439 -11.937 -7.133 1.00 63.31 O ATOM 2139 CB ARG A 134 8.808 -10.143 -4.347 1.00 61.23 C ATOM 2140 CG ARG A 134 8.661 -9.129 -5.487 1.00 54.50 C ATOM 2141 CD ARG A 134 8.476 -7.702 -4.981 1.00 63.51 C ATOM 2142 NE ARG A 134 9.574 -7.266 -4.125 1.00 32.33 N ATOM 2143 CZ ARG A 134 9.547 -6.183 -3.399 1.00 51.13 C ATOM 2144 NH1 ARG A 134 8.533 -5.379 -3.446 1.00 74.31 N ATOM 2145 NH2 ARG A 134 10.552 -5.894 -2.647 1.00 61.52 N ATOM 0 H ARG A 134 9.222 -12.080 -2.805 1.00 71.04 H new ATOM 0 HA ARG A 134 7.815 -11.857 -5.199 1.00 52.41 H new ATOM 0 HB2 ARG A 134 7.993 -10.001 -3.637 1.00 61.23 H new ATOM 0 HB3 ARG A 134 9.736 -9.944 -3.811 1.00 61.23 H new ATOM 0 HG2 ARG A 134 9.544 -9.173 -6.124 1.00 54.50 H new ATOM 0 HG3 ARG A 134 7.807 -9.405 -6.106 1.00 54.50 H new ATOM 0 HD2 ARG A 134 8.393 -7.026 -5.832 1.00 63.51 H new ATOM 0 HD3 ARG A 134 7.539 -7.635 -4.428 1.00 63.51 H new ATOM 0 HE ARG A 134 10.414 -7.844 -4.092 1.00 32.33 H new ATOM 0 HH11 ARG A 134 7.743 -5.590 -4.056 1.00 74.31 H new ATOM 0 HH12 ARG A 134 8.524 -4.535 -2.873 1.00 74.31 H new ATOM 0 HH21 ARG A 134 11.364 -6.511 -2.621 1.00 61.52 H new ATOM 0 HH22 ARG A 134 10.536 -5.048 -2.077 1.00 61.52 H new ATOM 2159 N ASP A 135 11.106 -11.732 -5.634 1.00 64.44 N ATOM 2160 CA ASP A 135 12.174 -11.872 -6.625 1.00 73.44 C ATOM 2161 C ASP A 135 12.049 -13.195 -7.398 1.00 50.05 C ATOM 2162 O ASP A 135 12.148 -13.223 -8.622 1.00 63.54 O ATOM 2163 CB ASP A 135 13.539 -11.790 -5.933 1.00 51.55 C ATOM 2164 CG ASP A 135 14.691 -11.815 -6.921 1.00 23.13 C ATOM 2165 OD1 ASP A 135 14.987 -10.757 -7.518 1.00 31.35 O ATOM 2166 OD2 ASP A 135 15.307 -12.888 -7.099 1.00 15.53 O ATOM 0 H ASP A 135 11.437 -11.602 -4.678 1.00 64.44 H new ATOM 0 HA ASP A 135 12.083 -11.056 -7.342 1.00 73.44 H new ATOM 0 HB2 ASP A 135 13.590 -10.875 -5.343 1.00 51.55 H new ATOM 0 HB3 ASP A 135 13.642 -12.623 -5.238 1.00 51.55 H new ATOM 2171 N TRP A 136 11.814 -14.283 -6.673 1.00 5.05 N ATOM 2172 CA TRP A 136 11.680 -15.611 -7.281 1.00 21.14 C ATOM 2173 C TRP A 136 10.472 -15.679 -8.232 1.00 63.54 C ATOM 2174 O TRP A 136 10.540 -16.309 -9.289 1.00 2.11 O ATOM 2175 CB TRP A 136 11.548 -16.679 -6.189 1.00 32.04 C ATOM 2176 CG TRP A 136 12.703 -16.689 -5.230 1.00 34.12 C ATOM 2177 CD1 TRP A 136 12.817 -15.964 -4.078 1.00 23.15 C ATOM 2178 CD2 TRP A 136 13.912 -17.452 -5.345 1.00 41.25 C ATOM 2179 NE1 TRP A 136 14.015 -16.236 -3.466 1.00 64.33 N ATOM 2180 CE2 TRP A 136 14.707 -17.144 -4.225 1.00 40.33 C ATOM 2181 CE3 TRP A 136 14.398 -18.367 -6.285 1.00 50.24 C ATOM 2182 CZ2 TRP A 136 15.961 -17.717 -4.020 1.00 22.51 C ATOM 2183 CZ3 TRP A 136 15.643 -18.935 -6.081 1.00 41.13 C ATOM 2184 CH2 TRP A 136 16.411 -18.609 -4.956 1.00 10.21 C ATOM 0 H TRP A 136 11.711 -14.276 -5.658 1.00 5.05 H new ATOM 0 HA TRP A 136 12.579 -15.801 -7.868 1.00 21.14 H new ATOM 0 HB2 TRP A 136 10.625 -16.510 -5.634 1.00 32.04 H new ATOM 0 HB3 TRP A 136 11.464 -17.660 -6.657 1.00 32.04 H new ATOM 0 HD1 TRP A 136 12.073 -15.277 -3.703 1.00 23.15 H new ATOM 0 HE1 TRP A 136 14.338 -15.829 -2.589 1.00 64.33 H new ATOM 0 HE3 TRP A 136 13.812 -18.625 -7.154 1.00 50.24 H new ATOM 0 HZ2 TRP A 136 16.556 -17.466 -3.154 1.00 22.51 H new ATOM 0 HZ3 TRP A 136 16.029 -19.641 -6.801 1.00 41.13 H new ATOM 0 HH2 TRP A 136 17.378 -19.071 -4.824 1.00 10.21 H new ATOM 2195 N LEU A 137 9.373 -15.024 -7.850 1.00 24.01 N ATOM 2196 CA LEU A 137 8.164 -14.973 -8.686 1.00 70.01 C ATOM 2197 C LEU A 137 8.458 -14.414 -10.085 1.00 32.34 C ATOM 2198 O LEU A 137 8.054 -14.996 -11.089 1.00 24.13 O ATOM 2199 CB LEU A 137 7.079 -14.117 -8.018 1.00 54.43 C ATOM 2200 CG LEU A 137 6.355 -14.752 -6.820 1.00 44.14 C ATOM 2201 CD1 LEU A 137 5.451 -13.727 -6.145 1.00 4.42 C ATOM 2202 CD2 LEU A 137 5.547 -15.973 -7.259 1.00 33.31 C ATOM 0 H LEU A 137 9.292 -14.520 -6.967 1.00 24.01 H new ATOM 0 HA LEU A 137 7.810 -15.998 -8.793 1.00 70.01 H new ATOM 0 HB2 LEU A 137 7.534 -13.184 -7.687 1.00 54.43 H new ATOM 0 HB3 LEU A 137 6.334 -13.859 -8.771 1.00 54.43 H new ATOM 0 HG LEU A 137 7.105 -15.082 -6.101 1.00 44.14 H new ATOM 0 HD11 LEU A 137 4.944 -14.190 -5.298 1.00 4.42 H new ATOM 0 HD12 LEU A 137 6.051 -12.888 -5.794 1.00 4.42 H new ATOM 0 HD13 LEU A 137 4.710 -13.369 -6.860 1.00 4.42 H new ATOM 0 HD21 LEU A 137 5.043 -16.406 -6.395 1.00 33.31 H new ATOM 0 HD22 LEU A 137 4.805 -15.672 -7.998 1.00 33.31 H new ATOM 0 HD23 LEU A 137 6.216 -16.713 -7.698 1.00 33.31 H new ATOM 2214 N VAL A 138 9.141 -13.273 -10.145 1.00 25.24 N ATOM 2215 CA VAL A 138 9.464 -12.636 -11.429 1.00 74.44 C ATOM 2216 C VAL A 138 10.651 -13.321 -12.136 1.00 20.42 C ATOM 2217 O VAL A 138 10.618 -13.539 -13.349 1.00 71.11 O ATOM 2218 CB VAL A 138 9.750 -11.117 -11.257 1.00 42.21 C ATOM 2219 CG1 VAL A 138 10.945 -10.871 -10.337 1.00 53.44 C ATOM 2220 CG2 VAL A 138 9.957 -10.445 -12.614 1.00 54.13 C ATOM 0 H VAL A 138 9.482 -12.769 -9.326 1.00 25.24 H new ATOM 0 HA VAL A 138 8.583 -12.755 -12.060 1.00 74.44 H new ATOM 0 HB VAL A 138 8.876 -10.669 -10.785 1.00 42.21 H new ATOM 0 HG11 VAL A 138 11.115 -9.799 -10.240 1.00 53.44 H new ATOM 0 HG12 VAL A 138 10.741 -11.296 -9.354 1.00 53.44 H new ATOM 0 HG13 VAL A 138 11.832 -11.342 -10.759 1.00 53.44 H new ATOM 0 HG21 VAL A 138 10.155 -9.383 -12.468 1.00 54.13 H new ATOM 0 HG22 VAL A 138 10.804 -10.906 -13.123 1.00 54.13 H new ATOM 0 HG23 VAL A 138 9.060 -10.566 -13.221 1.00 54.13 H new ATOM 2230 N LYS A 139 11.691 -13.668 -11.377 1.00 51.41 N ATOM 2231 CA LYS A 139 12.894 -14.299 -11.941 1.00 54.24 C ATOM 2232 C LYS A 139 12.613 -15.714 -12.469 1.00 14.43 C ATOM 2233 O LYS A 139 12.760 -15.985 -13.663 1.00 34.24 O ATOM 2234 CB LYS A 139 14.010 -14.350 -10.887 1.00 40.55 C ATOM 2235 CG LYS A 139 14.668 -13.000 -10.608 1.00 63.24 C ATOM 2236 CD LYS A 139 15.360 -12.443 -11.851 1.00 74.20 C ATOM 2237 CE LYS A 139 16.112 -11.149 -11.557 1.00 74.42 C ATOM 2238 NZ LYS A 139 16.770 -10.592 -12.774 1.00 52.45 N ATOM 0 H LYS A 139 11.728 -13.524 -10.368 1.00 51.41 H new ATOM 0 HA LYS A 139 13.213 -13.688 -12.785 1.00 54.24 H new ATOM 0 HB2 LYS A 139 13.598 -14.740 -9.956 1.00 40.55 H new ATOM 0 HB3 LYS A 139 14.775 -15.053 -11.217 1.00 40.55 H new ATOM 0 HG2 LYS A 139 13.915 -12.292 -10.263 1.00 63.24 H new ATOM 0 HG3 LYS A 139 15.396 -13.109 -9.804 1.00 63.24 H new ATOM 0 HD2 LYS A 139 16.056 -13.186 -12.242 1.00 74.20 H new ATOM 0 HD3 LYS A 139 14.618 -12.262 -12.628 1.00 74.20 H new ATOM 0 HE2 LYS A 139 15.419 -10.412 -11.151 1.00 74.42 H new ATOM 0 HE3 LYS A 139 16.865 -11.334 -10.791 1.00 74.42 H new ATOM 0 HZ1 LYS A 139 17.269 -9.713 -12.528 1.00 52.45 H new ATOM 0 HZ2 LYS A 139 17.451 -11.284 -13.148 1.00 52.45 H new ATOM 0 HZ3 LYS A 139 16.050 -10.390 -13.496 1.00 52.45 H new ATOM 2252 N GLN A 140 12.212 -16.613 -11.575 1.00 4.33 N ATOM 2253 CA GLN A 140 11.948 -18.010 -11.947 1.00 33.13 C ATOM 2254 C GLN A 140 10.571 -18.164 -12.609 1.00 12.34 C ATOM 2255 O GLN A 140 10.238 -19.230 -13.135 1.00 30.25 O ATOM 2256 CB GLN A 140 12.034 -18.914 -10.708 1.00 44.24 C ATOM 2257 CG GLN A 140 13.346 -18.804 -9.931 1.00 70.42 C ATOM 2258 CD GLN A 140 14.568 -19.161 -10.763 1.00 24.34 C ATOM 2259 OE1 GLN A 140 14.970 -20.319 -10.836 1.00 11.41 O ATOM 2260 NE2 GLN A 140 15.180 -18.170 -11.380 1.00 0.35 N ATOM 0 H GLN A 140 12.061 -16.405 -10.588 1.00 4.33 H new ATOM 0 HA GLN A 140 12.707 -18.311 -12.669 1.00 33.13 H new ATOM 0 HB2 GLN A 140 11.209 -18.671 -10.039 1.00 44.24 H new ATOM 0 HB3 GLN A 140 11.897 -19.950 -11.020 1.00 44.24 H new ATOM 0 HG2 GLN A 140 13.454 -17.786 -9.556 1.00 70.42 H new ATOM 0 HG3 GLN A 140 13.302 -19.460 -9.062 1.00 70.42 H new ATOM 0 HE21 GLN A 140 14.820 -17.219 -11.299 1.00 0.35 H new ATOM 0 HE22 GLN A 140 16.013 -18.354 -11.939 1.00 0.35 H new ATOM 2269 N ARG A 141 9.785 -17.087 -12.576 1.00 2.23 N ATOM 2270 CA ARG A 141 8.427 -17.070 -13.131 1.00 73.11 C ATOM 2271 C ARG A 141 7.529 -18.099 -12.434 1.00 51.13 C ATOM 2272 O ARG A 141 7.351 -19.223 -12.905 1.00 31.32 O ATOM 2273 CB ARG A 141 8.444 -17.266 -14.655 1.00 11.51 C ATOM 2274 CG ARG A 141 9.317 -16.232 -15.365 1.00 63.24 C ATOM 2275 CD ARG A 141 8.971 -16.081 -16.842 1.00 3.24 C ATOM 2276 NE ARG A 141 9.688 -14.955 -17.446 1.00 75.03 N ATOM 2277 CZ ARG A 141 9.135 -13.810 -17.761 1.00 61.22 C ATOM 2278 NH1 ARG A 141 7.863 -13.614 -17.590 1.00 1.20 N ATOM 2279 NH2 ARG A 141 9.856 -12.861 -18.260 1.00 45.24 N ATOM 0 H ARG A 141 10.071 -16.199 -12.163 1.00 2.23 H new ATOM 0 HA ARG A 141 8.001 -16.086 -12.938 1.00 73.11 H new ATOM 0 HB2 ARG A 141 8.810 -18.267 -14.886 1.00 11.51 H new ATOM 0 HB3 ARG A 141 7.426 -17.203 -15.038 1.00 11.51 H new ATOM 0 HG2 ARG A 141 9.205 -15.267 -14.870 1.00 63.24 H new ATOM 0 HG3 ARG A 141 10.364 -16.520 -15.269 1.00 63.24 H new ATOM 0 HD2 ARG A 141 9.221 -17.000 -17.372 1.00 3.24 H new ATOM 0 HD3 ARG A 141 7.897 -15.932 -16.952 1.00 3.24 H new ATOM 0 HE ARG A 141 10.684 -15.070 -17.634 1.00 75.03 H new ATOM 0 HH11 ARG A 141 7.280 -14.357 -17.206 1.00 1.20 H new ATOM 0 HH12 ARG A 141 7.447 -12.717 -17.840 1.00 1.20 H new ATOM 0 HH21 ARG A 141 10.855 -13.004 -18.408 1.00 45.24 H new ATOM 0 HH22 ARG A 141 9.426 -11.969 -18.506 1.00 45.24 H new ATOM 2293 N GLY A 142 6.977 -17.692 -11.294 1.00 1.30 N ATOM 2294 CA GLY A 142 6.197 -18.591 -10.455 1.00 0.23 C ATOM 2295 C GLY A 142 4.891 -19.055 -11.086 1.00 64.22 C ATOM 2296 O GLY A 142 4.630 -20.254 -11.165 1.00 25.41 O ATOM 0 H GLY A 142 7.057 -16.742 -10.931 1.00 1.30 H new ATOM 0 HA2 GLY A 142 6.803 -19.465 -10.216 1.00 0.23 H new ATOM 0 HA3 GLY A 142 5.975 -18.090 -9.513 1.00 0.23 H new ATOM 2300 N TRP A 143 4.074 -18.111 -11.539 1.00 13.13 N ATOM 2301 CA TRP A 143 2.749 -18.434 -12.080 1.00 65.41 C ATOM 2302 C TRP A 143 2.856 -19.204 -13.405 1.00 63.13 C ATOM 2303 O TRP A 143 2.101 -20.145 -13.655 1.00 33.45 O ATOM 2304 CB TRP A 143 1.927 -17.150 -12.260 1.00 13.34 C ATOM 2305 CG TRP A 143 1.835 -16.335 -11.001 1.00 40.23 C ATOM 2306 CD1 TRP A 143 2.255 -15.047 -10.820 1.00 71.21 C ATOM 2307 CD2 TRP A 143 1.314 -16.767 -9.739 1.00 71.11 C ATOM 2308 NE1 TRP A 143 2.018 -14.652 -9.527 1.00 23.21 N ATOM 2309 CE2 TRP A 143 1.443 -15.690 -8.844 1.00 3.25 C ATOM 2310 CE3 TRP A 143 0.748 -17.960 -9.278 1.00 12.43 C ATOM 2311 CZ2 TRP A 143 1.029 -15.769 -7.519 1.00 32.04 C ATOM 2312 CZ3 TRP A 143 0.338 -18.037 -7.961 1.00 63.11 C ATOM 2313 CH2 TRP A 143 0.480 -16.946 -7.095 1.00 73.14 C ATOM 0 H TRP A 143 4.300 -17.116 -11.545 1.00 13.13 H new ATOM 0 HA TRP A 143 2.239 -19.082 -11.367 1.00 65.41 H new ATOM 0 HB2 TRP A 143 2.376 -16.544 -13.047 1.00 13.34 H new ATOM 0 HB3 TRP A 143 0.922 -17.411 -12.592 1.00 13.34 H new ATOM 0 HD1 TRP A 143 2.707 -14.430 -11.583 1.00 71.21 H new ATOM 0 HE1 TRP A 143 2.235 -13.734 -9.138 1.00 23.21 H new ATOM 0 HE3 TRP A 143 0.634 -18.806 -9.940 1.00 12.43 H new ATOM 0 HZ2 TRP A 143 1.138 -14.929 -6.848 1.00 32.04 H new ATOM 0 HZ3 TRP A 143 -0.099 -18.954 -7.593 1.00 63.11 H new ATOM 0 HH2 TRP A 143 0.149 -17.037 -6.071 1.00 73.14 H new ATOM 2324 N ASP A 144 3.806 -18.808 -14.247 1.00 62.11 N ATOM 2325 CA ASP A 144 4.069 -19.521 -15.499 1.00 70.10 C ATOM 2326 C ASP A 144 4.715 -20.888 -15.226 1.00 14.55 C ATOM 2327 O ASP A 144 4.224 -21.922 -15.687 1.00 54.04 O ATOM 2328 CB ASP A 144 4.971 -18.685 -16.412 1.00 2.15 C ATOM 2329 CG ASP A 144 4.321 -17.378 -16.828 1.00 64.32 C ATOM 2330 OD1 ASP A 144 3.425 -17.408 -17.701 1.00 31.31 O ATOM 2331 OD2 ASP A 144 4.694 -16.318 -16.280 1.00 12.42 O ATOM 0 H ASP A 144 4.407 -17.999 -14.088 1.00 62.11 H new ATOM 0 HA ASP A 144 3.115 -19.685 -16.001 1.00 70.10 H new ATOM 0 HB2 ASP A 144 5.908 -18.474 -15.897 1.00 2.15 H new ATOM 0 HB3 ASP A 144 5.219 -19.264 -17.302 1.00 2.15 H new ATOM 2336 N GLY A 145 5.804 -20.881 -14.456 1.00 61.11 N ATOM 2337 CA GLY A 145 6.517 -22.111 -14.130 1.00 50.21 C ATOM 2338 C GLY A 145 5.641 -23.158 -13.447 1.00 13.11 C ATOM 2339 O GLY A 145 5.777 -24.350 -13.712 1.00 63.34 O ATOM 0 H GLY A 145 6.209 -20.038 -14.049 1.00 61.11 H new ATOM 0 HA2 GLY A 145 6.931 -22.535 -15.045 1.00 50.21 H new ATOM 0 HA3 GLY A 145 7.359 -21.873 -13.480 1.00 50.21 H new ATOM 2343 N PHE A 146 4.756 -22.706 -12.558 1.00 44.52 N ATOM 2344 CA PHE A 146 3.787 -23.586 -11.882 1.00 3.50 C ATOM 2345 C PHE A 146 2.884 -24.317 -12.893 1.00 25.44 C ATOM 2346 O PHE A 146 2.814 -25.547 -12.915 1.00 4.11 O ATOM 2347 CB PHE A 146 2.939 -22.750 -10.897 1.00 62.11 C ATOM 2348 CG PHE A 146 1.584 -23.333 -10.572 1.00 54.31 C ATOM 2349 CD1 PHE A 146 1.466 -24.514 -9.855 1.00 14.42 C ATOM 2350 CD2 PHE A 146 0.427 -22.691 -10.991 1.00 33.45 C ATOM 2351 CE1 PHE A 146 0.221 -25.041 -9.568 1.00 11.13 C ATOM 2352 CE2 PHE A 146 -0.817 -23.215 -10.705 1.00 73.00 C ATOM 2353 CZ PHE A 146 -0.921 -24.391 -9.991 1.00 4.24 C ATOM 0 H PHE A 146 4.686 -21.726 -12.284 1.00 44.52 H new ATOM 0 HA PHE A 146 4.336 -24.350 -11.332 1.00 3.50 H new ATOM 0 HB2 PHE A 146 3.499 -22.630 -9.969 1.00 62.11 H new ATOM 0 HB3 PHE A 146 2.799 -21.754 -11.316 1.00 62.11 H new ATOM 0 HD1 PHE A 146 2.355 -25.027 -9.518 1.00 14.42 H new ATOM 0 HD2 PHE A 146 0.501 -21.769 -11.548 1.00 33.45 H new ATOM 0 HE1 PHE A 146 0.141 -25.963 -9.012 1.00 11.13 H new ATOM 0 HE2 PHE A 146 -1.708 -22.705 -11.040 1.00 73.00 H new ATOM 0 HZ PHE A 146 -1.894 -24.802 -9.764 1.00 4.24 H new ATOM 2363 N VAL A 147 2.206 -23.544 -13.733 1.00 71.22 N ATOM 2364 CA VAL A 147 1.286 -24.091 -14.739 1.00 43.24 C ATOM 2365 C VAL A 147 1.998 -25.034 -15.719 1.00 55.35 C ATOM 2366 O VAL A 147 1.504 -26.118 -16.038 1.00 72.34 O ATOM 2367 CB VAL A 147 0.620 -22.940 -15.530 1.00 13.40 C ATOM 2368 CG1 VAL A 147 -0.290 -23.476 -16.633 1.00 14.33 C ATOM 2369 CG2 VAL A 147 -0.150 -22.029 -14.583 1.00 44.21 C ATOM 0 H VAL A 147 2.273 -22.526 -13.741 1.00 71.22 H new ATOM 0 HA VAL A 147 0.529 -24.667 -14.206 1.00 43.24 H new ATOM 0 HB VAL A 147 1.406 -22.358 -16.011 1.00 13.40 H new ATOM 0 HG11 VAL A 147 -0.742 -22.642 -17.169 1.00 14.33 H new ATOM 0 HG12 VAL A 147 0.296 -24.079 -17.327 1.00 14.33 H new ATOM 0 HG13 VAL A 147 -1.074 -24.091 -16.191 1.00 14.33 H new ATOM 0 HG21 VAL A 147 -0.614 -21.223 -15.151 1.00 44.21 H new ATOM 0 HG22 VAL A 147 -0.922 -22.604 -14.072 1.00 44.21 H new ATOM 0 HG23 VAL A 147 0.535 -21.607 -13.847 1.00 44.21 H new ATOM 2379 N GLU A 148 3.157 -24.608 -16.194 1.00 51.03 N ATOM 2380 CA GLU A 148 3.935 -25.378 -17.163 1.00 14.34 C ATOM 2381 C GLU A 148 4.613 -26.600 -16.514 1.00 24.02 C ATOM 2382 O GLU A 148 4.917 -27.585 -17.191 1.00 71.24 O ATOM 2383 CB GLU A 148 4.932 -24.446 -17.864 1.00 24.41 C ATOM 2384 CG GLU A 148 4.219 -23.271 -18.538 1.00 14.11 C ATOM 2385 CD GLU A 148 5.108 -22.399 -19.412 1.00 61.31 C ATOM 2386 OE1 GLU A 148 5.744 -22.934 -20.350 1.00 25.10 O ATOM 2387 OE2 GLU A 148 5.112 -21.167 -19.201 1.00 1.54 O ATOM 0 H GLU A 148 3.587 -23.724 -15.923 1.00 51.03 H new ATOM 0 HA GLU A 148 3.264 -25.788 -17.918 1.00 14.34 H new ATOM 0 HB2 GLU A 148 5.652 -24.069 -17.138 1.00 24.41 H new ATOM 0 HB3 GLU A 148 5.495 -25.008 -18.609 1.00 24.41 H new ATOM 0 HG2 GLU A 148 3.404 -23.661 -19.148 1.00 14.11 H new ATOM 0 HG3 GLU A 148 3.769 -22.647 -17.766 1.00 14.11 H new ATOM 2394 N PHE A 149 4.852 -26.527 -15.201 1.00 20.51 N ATOM 2395 CA PHE A 149 5.349 -27.679 -14.430 1.00 51.14 C ATOM 2396 C PHE A 149 4.385 -28.874 -14.548 1.00 52.11 C ATOM 2397 O PHE A 149 4.797 -29.996 -14.851 1.00 0.35 O ATOM 2398 CB PHE A 149 5.524 -27.281 -12.951 1.00 53.53 C ATOM 2399 CG PHE A 149 6.003 -28.392 -12.043 1.00 51.41 C ATOM 2400 CD1 PHE A 149 7.357 -28.661 -11.898 1.00 71.11 C ATOM 2401 CD2 PHE A 149 5.095 -29.163 -11.327 1.00 13.31 C ATOM 2402 CE1 PHE A 149 7.794 -29.672 -11.062 1.00 22.35 C ATOM 2403 CE2 PHE A 149 5.526 -30.173 -10.490 1.00 21.41 C ATOM 2404 CZ PHE A 149 6.877 -30.430 -10.358 1.00 4.31 C ATOM 0 H PHE A 149 4.710 -25.683 -14.646 1.00 20.51 H new ATOM 0 HA PHE A 149 6.314 -27.979 -14.838 1.00 51.14 H new ATOM 0 HB2 PHE A 149 6.232 -26.455 -12.894 1.00 53.53 H new ATOM 0 HB3 PHE A 149 4.571 -26.910 -12.575 1.00 53.53 H new ATOM 0 HD1 PHE A 149 8.079 -28.073 -12.445 1.00 71.11 H new ATOM 0 HD2 PHE A 149 4.037 -28.969 -11.427 1.00 13.31 H new ATOM 0 HE1 PHE A 149 8.851 -29.869 -10.959 1.00 22.35 H new ATOM 0 HE2 PHE A 149 4.808 -30.762 -9.939 1.00 21.41 H new ATOM 0 HZ PHE A 149 7.216 -31.222 -9.706 1.00 4.31 H new ATOM 2414 N PHE A 150 3.093 -28.619 -14.328 1.00 41.32 N ATOM 2415 CA PHE A 150 2.061 -29.659 -14.449 1.00 75.44 C ATOM 2416 C PHE A 150 1.618 -29.865 -15.910 1.00 52.23 C ATOM 2417 O PHE A 150 0.801 -30.744 -16.199 1.00 15.12 O ATOM 2418 CB PHE A 150 0.848 -29.304 -13.580 1.00 60.41 C ATOM 2419 CG PHE A 150 1.149 -29.290 -12.101 1.00 33.02 C ATOM 2420 CD1 PHE A 150 1.163 -30.473 -11.374 1.00 23.52 C ATOM 2421 CD2 PHE A 150 1.417 -28.100 -11.438 1.00 52.00 C ATOM 2422 CE1 PHE A 150 1.436 -30.468 -10.019 1.00 45.55 C ATOM 2423 CE2 PHE A 150 1.691 -28.091 -10.084 1.00 33.53 C ATOM 2424 CZ PHE A 150 1.700 -29.277 -9.374 1.00 64.41 C ATOM 0 H PHE A 150 2.733 -27.701 -14.065 1.00 41.32 H new ATOM 0 HA PHE A 150 2.498 -30.595 -14.101 1.00 75.44 H new ATOM 0 HB2 PHE A 150 0.474 -28.324 -13.876 1.00 60.41 H new ATOM 0 HB3 PHE A 150 0.050 -30.021 -13.773 1.00 60.41 H new ATOM 0 HD1 PHE A 150 0.958 -31.408 -11.873 1.00 23.52 H new ATOM 0 HD2 PHE A 150 1.411 -27.170 -11.987 1.00 52.00 H new ATOM 0 HE1 PHE A 150 1.443 -31.395 -9.466 1.00 45.55 H new ATOM 0 HE2 PHE A 150 1.898 -27.158 -9.581 1.00 33.53 H new ATOM 0 HZ PHE A 150 1.913 -29.271 -8.315 1.00 64.41 H new ATOM 2434 N HIS A 151 2.154 -29.045 -16.818 1.00 72.41 N ATOM 2435 CA HIS A 151 1.843 -29.133 -18.254 1.00 21.41 C ATOM 2436 C HIS A 151 0.342 -28.918 -18.526 1.00 41.13 C ATOM 2437 O HIS A 151 -0.423 -29.873 -18.670 1.00 13.24 O ATOM 2438 CB HIS A 151 2.316 -30.485 -18.822 1.00 43.20 C ATOM 2439 CG HIS A 151 2.179 -30.615 -20.313 1.00 14.52 C ATOM 2440 ND1 HIS A 151 3.232 -30.429 -21.183 1.00 33.14 N ATOM 2441 CD2 HIS A 151 1.115 -30.940 -21.086 1.00 34.42 C ATOM 2442 CE1 HIS A 151 2.823 -30.630 -22.417 1.00 23.31 C ATOM 2443 NE2 HIS A 151 1.545 -30.941 -22.389 1.00 54.43 N ATOM 0 H HIS A 151 2.814 -28.303 -16.583 1.00 72.41 H new ATOM 0 HA HIS A 151 2.381 -28.333 -18.762 1.00 21.41 H new ATOM 0 HB2 HIS A 151 3.361 -30.633 -18.551 1.00 43.20 H new ATOM 0 HB3 HIS A 151 1.747 -31.284 -18.346 1.00 43.20 H new ATOM 0 HD2 HIS A 151 0.115 -31.158 -20.741 1.00 34.42 H new ATOM 0 HE1 HIS A 151 3.434 -30.553 -23.304 1.00 23.31 H new ATOM 0 HE2 HIS A 151 0.968 -31.149 -23.204 1.00 54.43 H new ATOM 2452 N VAL A 152 -0.074 -27.656 -18.568 1.00 71.43 N ATOM 2453 CA VAL A 152 -1.475 -27.302 -18.844 1.00 10.04 C ATOM 2454 C VAL A 152 -1.555 -26.246 -19.956 1.00 60.12 C ATOM 2455 O VAL A 152 -2.046 -26.511 -21.053 1.00 54.53 O ATOM 2456 CB VAL A 152 -2.181 -26.761 -17.573 1.00 52.00 C ATOM 2457 CG1 VAL A 152 -3.646 -26.431 -17.858 1.00 13.12 C ATOM 2458 CG2 VAL A 152 -2.059 -27.756 -16.419 1.00 61.32 C ATOM 0 H VAL A 152 0.537 -26.854 -18.415 1.00 71.43 H new ATOM 0 HA VAL A 152 -1.983 -28.211 -19.167 1.00 10.04 H new ATOM 0 HB VAL A 152 -1.682 -25.838 -17.278 1.00 52.00 H new ATOM 0 HG11 VAL A 152 -4.117 -26.054 -16.950 1.00 13.12 H new ATOM 0 HG12 VAL A 152 -3.703 -25.672 -18.639 1.00 13.12 H new ATOM 0 HG13 VAL A 152 -4.164 -27.331 -18.189 1.00 13.12 H new ATOM 0 HG21 VAL A 152 -2.561 -27.355 -15.539 1.00 61.32 H new ATOM 0 HG22 VAL A 152 -2.522 -28.701 -16.703 1.00 61.32 H new ATOM 0 HG23 VAL A 152 -1.006 -27.922 -16.192 1.00 61.32 H new