USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN : amide:sc= 0.619 K(o=1.4,f=-0.37) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.78 K(o=1.4,f=-1.4) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -149:sc= -0.427 (180deg=0) USER MOD Set 2.2: A 112 GLN : amide:sc= -0.772 X(o=-1.2,f=-1.4) USER MOD Set 3.1: A 74 GLN : amide:sc= -0.0248 K(o=-0.025,f=-1.4!) USER MOD Set 3.2: A 98 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 22 SER OG : rot -41:sc= 0.0194 USER MOD Set 4.2: A 154 HIS : no HD1:sc= -0.374 X(o=-0.36,f=-0.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -39:sc= 0.146 USER MOD Single : A 8 GLN : amide:sc= -0.0788 X(o=-0.079,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.18) USER MOD Single : A 15 SER OG : rot 180:sc= -0.016 USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 0.524 (180deg=0.359) USER MOD Single : A 21 THR OG1 : rot -70:sc= 1.05 USER MOD Single : A 23 SER OG : rot -2:sc= 0.113 USER MOD Single : A 27 GLN : amide:sc= 0.4 K(o=0.4,f=-7.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -75:sc= 1.25 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00161 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.085 (180deg=-1.13) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.397 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= 1.9 (180deg=0.274) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.383 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.12) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00144 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -26:sc= 0.196 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 92 LYS NZ :NH3+ 142:sc= 1.17 (180deg=0.197) USER MOD Single : A 101 SER OG : rot 19:sc= 0.504 USER MOD Single : A 116 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.06) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 147:sc= 0.626 USER MOD Single : A 123 TYR OH : rot 118:sc= 0.695 USER MOD Single : A 124 THR OG1 : rot 160:sc= 0.0514 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 144 LYS NZ :NH3+ -169:sc= -0.403 (180deg=-0.573) USER MOD Single : A 147 ASN : amide:sc= 0.807 K(o=0.81,f=-8.4!) USER MOD Single : A 151 LYS NZ :NH3+ -163:sc= -0.508 (180deg=-0.537) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.991 -23.953 0.845 1.00 14.33 N ATOM 2 CA GLY A 1 -19.695 -22.827 0.228 1.00 21.44 C ATOM 3 C GLY A 1 -18.708 -21.750 -0.147 1.00 62.42 C ATOM 4 O GLY A 1 -18.714 -20.668 0.452 1.00 72.52 O ATOM 0 H1 GLY A 1 -19.676 -24.692 1.101 1.00 14.33 H new ATOM 0 H2 GLY A 1 -18.299 -24.341 0.172 1.00 14.33 H new ATOM 0 H3 GLY A 1 -18.497 -23.627 1.700 1.00 14.33 H new ATOM 0 HA2 GLY A 1 -20.233 -23.164 -0.658 1.00 21.44 H new ATOM 0 HA3 GLY A 1 -20.437 -22.428 0.919 1.00 21.44 H new ATOM 8 N ASP A 2 -17.863 -22.039 -1.140 1.00 1.44 N ATOM 9 CA ASP A 2 -16.927 -21.073 -1.694 1.00 74.22 C ATOM 10 C ASP A 2 -17.699 -19.860 -2.216 1.00 32.43 C ATOM 11 O ASP A 2 -18.883 -19.974 -2.559 1.00 1.01 O ATOM 12 CB ASP A 2 -16.072 -21.714 -2.793 1.00 71.51 C ATOM 13 CG ASP A 2 -14.948 -20.757 -3.174 1.00 20.11 C ATOM 14 OD1 ASP A 2 -14.070 -20.497 -2.319 1.00 54.40 O ATOM 15 OD2 ASP A 2 -14.963 -20.161 -4.273 1.00 54.21 O ATOM 0 H ASP A 2 -17.813 -22.957 -1.581 1.00 1.44 H new ATOM 0 HA ASP A 2 -16.245 -20.739 -0.912 1.00 74.22 H new ATOM 0 HB2 ASP A 2 -15.658 -22.660 -2.443 1.00 71.51 H new ATOM 0 HB3 ASP A 2 -16.687 -21.938 -3.665 1.00 71.51 H new ATOM 20 N SER A 3 -17.057 -18.692 -2.211 1.00 13.30 N ATOM 21 CA SER A 3 -17.748 -17.444 -2.472 1.00 53.42 C ATOM 22 C SER A 3 -18.257 -17.391 -3.908 1.00 14.34 C ATOM 23 O SER A 3 -17.642 -17.942 -4.825 1.00 64.41 O ATOM 24 CB SER A 3 -16.803 -16.262 -2.216 1.00 74.13 C ATOM 25 OG SER A 3 -17.499 -15.035 -2.047 1.00 63.44 O ATOM 0 H SER A 3 -16.059 -18.591 -2.028 1.00 13.30 H new ATOM 0 HA SER A 3 -18.604 -17.381 -1.800 1.00 53.42 H new ATOM 0 HB2 SER A 3 -16.207 -16.464 -1.326 1.00 74.13 H new ATOM 0 HB3 SER A 3 -16.108 -16.170 -3.050 1.00 74.13 H new ATOM 0 HG SER A 3 -16.856 -14.314 -1.885 1.00 63.44 H new ATOM 31 N GLU A 4 -19.288 -16.578 -4.116 1.00 1.41 N ATOM 32 CA GLU A 4 -19.651 -16.073 -5.420 1.00 11.40 C ATOM 33 C GLU A 4 -20.131 -14.628 -5.275 1.00 32.31 C ATOM 34 O GLU A 4 -20.469 -14.168 -4.177 1.00 42.23 O ATOM 35 CB GLU A 4 -20.721 -16.983 -6.028 1.00 61.11 C ATOM 36 CG GLU A 4 -20.697 -17.035 -7.556 1.00 45.12 C ATOM 37 CD GLU A 4 -21.786 -17.989 -8.034 1.00 30.10 C ATOM 38 OE1 GLU A 4 -21.614 -19.223 -7.910 1.00 70.35 O ATOM 39 OE2 GLU A 4 -22.856 -17.514 -8.488 1.00 45.32 O ATOM 0 H GLU A 4 -19.899 -16.251 -3.367 1.00 1.41 H new ATOM 0 HA GLU A 4 -18.795 -16.074 -6.095 1.00 11.40 H new ATOM 0 HB2 GLU A 4 -20.589 -17.992 -5.638 1.00 61.11 H new ATOM 0 HB3 GLU A 4 -21.703 -16.641 -5.702 1.00 61.11 H new ATOM 0 HG2 GLU A 4 -20.859 -16.040 -7.970 1.00 45.12 H new ATOM 0 HG3 GLU A 4 -19.721 -17.371 -7.907 1.00 45.12 H new ATOM 46 N LEU A 5 -20.163 -13.929 -6.402 1.00 12.14 N ATOM 47 CA LEU A 5 -20.759 -12.619 -6.605 1.00 10.04 C ATOM 48 C LEU A 5 -22.281 -12.755 -6.762 1.00 63.15 C ATOM 49 O LEU A 5 -22.773 -13.860 -7.014 1.00 21.12 O ATOM 50 CB LEU A 5 -20.125 -11.941 -7.830 1.00 31.14 C ATOM 51 CG LEU A 5 -20.255 -12.724 -9.154 1.00 54.04 C ATOM 52 CD1 LEU A 5 -20.323 -11.763 -10.340 1.00 50.11 C ATOM 53 CD2 LEU A 5 -19.067 -13.674 -9.347 1.00 41.15 C ATOM 0 H LEU A 5 -19.743 -14.290 -7.258 1.00 12.14 H new ATOM 0 HA LEU A 5 -20.566 -11.991 -5.735 1.00 10.04 H new ATOM 0 HB2 LEU A 5 -20.582 -10.960 -7.960 1.00 31.14 H new ATOM 0 HB3 LEU A 5 -19.067 -11.775 -7.627 1.00 31.14 H new ATOM 0 HG LEU A 5 -21.174 -13.307 -9.104 1.00 54.04 H new ATOM 0 HD11 LEU A 5 -20.414 -12.332 -11.265 1.00 50.11 H new ATOM 0 HD12 LEU A 5 -21.188 -11.109 -10.229 1.00 50.11 H new ATOM 0 HD13 LEU A 5 -19.415 -11.161 -10.373 1.00 50.11 H new ATOM 0 HD21 LEU A 5 -19.182 -14.214 -10.287 1.00 41.15 H new ATOM 0 HD22 LEU A 5 -18.141 -13.099 -9.370 1.00 41.15 H new ATOM 0 HD23 LEU A 5 -19.032 -14.385 -8.522 1.00 41.15 H new ATOM 65 N THR A 6 -23.037 -11.658 -6.669 1.00 22.12 N ATOM 66 CA THR A 6 -24.478 -11.661 -6.774 1.00 62.52 C ATOM 67 C THR A 6 -24.884 -10.228 -7.132 1.00 5.00 C ATOM 68 O THR A 6 -25.086 -9.408 -6.241 1.00 14.40 O ATOM 69 CB THR A 6 -25.115 -12.241 -5.481 1.00 72.53 C ATOM 70 OG1 THR A 6 -26.498 -11.960 -5.431 1.00 12.11 O ATOM 71 CG2 THR A 6 -24.502 -11.780 -4.150 1.00 14.13 C ATOM 0 H THR A 6 -22.645 -10.729 -6.515 1.00 22.12 H new ATOM 0 HA THR A 6 -24.854 -12.319 -7.557 1.00 62.52 H new ATOM 0 HB THR A 6 -24.907 -13.308 -5.566 1.00 72.53 H new ATOM 0 HG1 THR A 6 -26.879 -12.336 -4.610 1.00 12.11 H new ATOM 0 HG21 THR A 6 -25.031 -12.253 -3.323 1.00 14.13 H new ATOM 0 HG22 THR A 6 -23.450 -12.063 -4.117 1.00 14.13 H new ATOM 0 HG23 THR A 6 -24.589 -10.697 -4.065 1.00 14.13 H new ATOM 79 N THR A 7 -25.038 -9.951 -8.432 1.00 33.10 N ATOM 80 CA THR A 7 -25.760 -8.815 -9.014 1.00 42.24 C ATOM 81 C THR A 7 -25.390 -7.410 -8.465 1.00 43.02 C ATOM 82 O THR A 7 -26.167 -6.461 -8.598 1.00 14.13 O ATOM 83 CB THR A 7 -27.262 -9.190 -9.031 1.00 54.02 C ATOM 84 OG1 THR A 7 -28.057 -8.352 -9.844 1.00 12.12 O ATOM 85 CG2 THR A 7 -27.887 -9.282 -7.635 1.00 74.44 C ATOM 0 H THR A 7 -24.636 -10.553 -9.151 1.00 33.10 H new ATOM 0 HA THR A 7 -25.427 -8.659 -10.040 1.00 42.24 H new ATOM 0 HB THR A 7 -27.261 -10.185 -9.476 1.00 54.02 H new ATOM 0 HG1 THR A 7 -27.754 -7.425 -9.753 1.00 12.12 H new ATOM 0 HG21 THR A 7 -28.940 -9.548 -7.725 1.00 74.44 H new ATOM 0 HG22 THR A 7 -27.368 -10.044 -7.054 1.00 74.44 H new ATOM 0 HG23 THR A 7 -27.798 -8.319 -7.132 1.00 74.44 H new ATOM 93 N GLN A 8 -24.191 -7.236 -7.902 1.00 32.12 N ATOM 94 CA GLN A 8 -23.730 -5.979 -7.325 1.00 10.22 C ATOM 95 C GLN A 8 -23.608 -4.881 -8.385 1.00 44.01 C ATOM 96 O GLN A 8 -23.333 -5.135 -9.564 1.00 23.23 O ATOM 97 CB GLN A 8 -22.338 -6.166 -6.692 1.00 70.32 C ATOM 98 CG GLN A 8 -22.286 -7.091 -5.469 1.00 43.11 C ATOM 99 CD GLN A 8 -22.943 -6.538 -4.203 1.00 41.24 C ATOM 100 OE1 GLN A 8 -23.563 -7.287 -3.455 1.00 11.01 O ATOM 101 NE2 GLN A 8 -22.754 -5.271 -3.865 1.00 2.21 N ATOM 0 H GLN A 8 -23.501 -7.985 -7.835 1.00 32.12 H new ATOM 0 HA GLN A 8 -24.467 -5.685 -6.577 1.00 10.22 H new ATOM 0 HB2 GLN A 8 -21.663 -6.559 -7.452 1.00 70.32 H new ATOM 0 HB3 GLN A 8 -21.956 -5.187 -6.402 1.00 70.32 H new ATOM 0 HG2 GLN A 8 -22.768 -8.034 -5.727 1.00 43.11 H new ATOM 0 HG3 GLN A 8 -21.243 -7.316 -5.248 1.00 43.11 H new ATOM 0 HE21 GLN A 8 -22.238 -4.649 -4.487 1.00 2.21 H new ATOM 0 HE22 GLN A 8 -23.124 -4.918 -2.982 1.00 2.21 H new ATOM 110 N ASP A 9 -23.648 -3.642 -7.906 1.00 1.24 N ATOM 111 CA ASP A 9 -22.941 -2.511 -8.488 1.00 4.13 C ATOM 112 C ASP A 9 -22.236 -1.818 -7.329 1.00 31.31 C ATOM 113 O ASP A 9 -22.811 -0.965 -6.650 1.00 71.44 O ATOM 114 CB ASP A 9 -23.883 -1.578 -9.238 1.00 50.34 C ATOM 115 CG ASP A 9 -23.234 -0.222 -9.532 1.00 72.45 C ATOM 116 OD1 ASP A 9 -22.058 -0.155 -9.965 1.00 12.21 O ATOM 117 OD2 ASP A 9 -23.918 0.800 -9.304 1.00 3.33 O ATOM 0 H ASP A 9 -24.189 -3.392 -7.078 1.00 1.24 H new ATOM 0 HA ASP A 9 -22.221 -2.837 -9.238 1.00 4.13 H new ATOM 0 HB2 ASP A 9 -24.186 -2.045 -10.175 1.00 50.34 H new ATOM 0 HB3 ASP A 9 -24.788 -1.427 -8.650 1.00 50.34 H new ATOM 122 N GLY A 10 -21.014 -2.260 -7.058 1.00 62.12 N ATOM 123 CA GLY A 10 -20.169 -1.787 -5.980 1.00 11.21 C ATOM 124 C GLY A 10 -20.584 -2.340 -4.617 1.00 25.20 C ATOM 125 O GLY A 10 -21.762 -2.495 -4.300 1.00 34.44 O ATOM 0 H GLY A 10 -20.569 -2.992 -7.612 1.00 62.12 H new ATOM 0 HA2 GLY A 10 -19.136 -2.070 -6.183 1.00 11.21 H new ATOM 0 HA3 GLY A 10 -20.201 -0.698 -5.950 1.00 11.21 H new ATOM 129 N GLU A 11 -19.587 -2.623 -3.792 1.00 53.02 N ATOM 130 CA GLU A 11 -19.677 -2.739 -2.340 1.00 41.41 C ATOM 131 C GLU A 11 -19.458 -1.343 -1.732 1.00 12.01 C ATOM 132 O GLU A 11 -18.932 -0.452 -2.410 1.00 10.21 O ATOM 133 CB GLU A 11 -18.607 -3.756 -1.906 1.00 42.03 C ATOM 134 CG GLU A 11 -18.396 -3.883 -0.399 1.00 32.20 C ATOM 135 CD GLU A 11 -17.592 -5.112 0.004 1.00 72.24 C ATOM 136 OE1 GLU A 11 -16.777 -5.610 -0.802 1.00 32.30 O ATOM 137 OE2 GLU A 11 -17.768 -5.601 1.142 1.00 24.34 O ATOM 0 H GLU A 11 -18.640 -2.787 -4.134 1.00 53.02 H new ATOM 0 HA GLU A 11 -20.650 -3.092 -1.997 1.00 41.41 H new ATOM 0 HB2 GLU A 11 -18.879 -4.735 -2.301 1.00 42.03 H new ATOM 0 HB3 GLU A 11 -17.659 -3.479 -2.366 1.00 42.03 H new ATOM 0 HG2 GLU A 11 -17.886 -2.991 -0.036 1.00 32.20 H new ATOM 0 HG3 GLU A 11 -19.368 -3.918 0.094 1.00 32.20 H new ATOM 144 N ASP A 12 -19.834 -1.142 -0.462 1.00 64.35 N ATOM 145 CA ASP A 12 -19.554 0.104 0.257 1.00 50.43 C ATOM 146 C ASP A 12 -18.044 0.300 0.370 1.00 42.25 C ATOM 147 O ASP A 12 -17.300 -0.676 0.499 1.00 63.22 O ATOM 148 CB ASP A 12 -20.102 0.073 1.694 1.00 5.03 C ATOM 149 CG ASP A 12 -20.439 1.467 2.222 1.00 52.11 C ATOM 150 OD1 ASP A 12 -19.480 2.223 2.504 1.00 33.54 O ATOM 151 OD2 ASP A 12 -21.636 1.792 2.374 1.00 44.42 O ATOM 0 H ASP A 12 -20.338 -1.835 0.091 1.00 64.35 H new ATOM 0 HA ASP A 12 -20.032 0.907 -0.303 1.00 50.43 H new ATOM 0 HB2 ASP A 12 -20.996 -0.550 1.725 1.00 5.03 H new ATOM 0 HB3 ASP A 12 -19.366 -0.392 2.350 1.00 5.03 H new ATOM 156 N PHE A 13 -17.597 1.549 0.458 1.00 50.14 N ATOM 157 CA PHE A 13 -16.226 1.872 0.813 1.00 62.24 C ATOM 158 C PHE A 13 -15.862 1.203 2.145 1.00 61.52 C ATOM 159 O PHE A 13 -14.957 0.373 2.241 1.00 74.31 O ATOM 160 CB PHE A 13 -16.064 3.396 0.901 1.00 51.35 C ATOM 161 CG PHE A 13 -14.625 3.848 0.851 1.00 70.34 C ATOM 162 CD1 PHE A 13 -13.952 3.844 -0.382 1.00 11.01 C ATOM 163 CD2 PHE A 13 -13.946 4.234 2.022 1.00 11.33 C ATOM 164 CE1 PHE A 13 -12.591 4.164 -0.439 1.00 42.24 C ATOM 165 CE2 PHE A 13 -12.587 4.588 1.957 1.00 31.21 C ATOM 166 CZ PHE A 13 -11.906 4.535 0.729 1.00 1.00 C ATOM 0 H PHE A 13 -18.181 2.367 0.284 1.00 50.14 H new ATOM 0 HA PHE A 13 -15.549 1.495 0.046 1.00 62.24 H new ATOM 0 HB2 PHE A 13 -16.612 3.860 0.081 1.00 51.35 H new ATOM 0 HB3 PHE A 13 -16.516 3.749 1.828 1.00 51.35 H new ATOM 0 HD1 PHE A 13 -14.486 3.594 -1.287 1.00 11.01 H new ATOM 0 HD2 PHE A 13 -14.467 4.258 2.967 1.00 11.33 H new ATOM 0 HE1 PHE A 13 -12.067 4.126 -1.383 1.00 42.24 H new ATOM 0 HE2 PHE A 13 -12.067 4.900 2.850 1.00 31.21 H new ATOM 0 HZ PHE A 13 -10.855 4.780 0.684 1.00 1.00 H new ATOM 176 N LYS A 14 -16.613 1.515 3.202 1.00 73.15 N ATOM 177 CA LYS A 14 -16.318 1.030 4.547 1.00 41.44 C ATOM 178 C LYS A 14 -16.439 -0.491 4.641 1.00 52.11 C ATOM 179 O LYS A 14 -15.709 -1.119 5.401 1.00 72.13 O ATOM 180 CB LYS A 14 -17.254 1.734 5.537 1.00 74.04 C ATOM 181 CG LYS A 14 -16.861 3.201 5.803 1.00 32.01 C ATOM 182 CD LYS A 14 -15.697 3.331 6.797 1.00 33.03 C ATOM 183 CE LYS A 14 -16.181 3.019 8.220 1.00 23.13 C ATOM 184 NZ LYS A 14 -15.072 2.631 9.109 1.00 12.34 N ATOM 0 H LYS A 14 -17.440 2.109 3.148 1.00 73.15 H new ATOM 0 HA LYS A 14 -15.283 1.266 4.796 1.00 41.44 H new ATOM 0 HB2 LYS A 14 -18.273 1.701 5.150 1.00 74.04 H new ATOM 0 HB3 LYS A 14 -17.253 1.187 6.480 1.00 74.04 H new ATOM 0 HG2 LYS A 14 -16.584 3.675 4.861 1.00 32.01 H new ATOM 0 HG3 LYS A 14 -17.726 3.740 6.190 1.00 32.01 H new ATOM 0 HD2 LYS A 14 -14.894 2.648 6.520 1.00 33.03 H new ATOM 0 HD3 LYS A 14 -15.286 4.340 6.757 1.00 33.03 H new ATOM 0 HE2 LYS A 14 -16.686 3.893 8.631 1.00 23.13 H new ATOM 0 HE3 LYS A 14 -16.915 2.214 8.185 1.00 23.13 H new ATOM 0 HZ1 LYS A 14 -15.373 2.725 10.100 1.00 12.34 H new ATOM 0 HZ2 LYS A 14 -14.805 1.644 8.920 1.00 12.34 H new ATOM 0 HZ3 LYS A 14 -14.255 3.250 8.935 1.00 12.34 H new ATOM 198 N SER A 15 -17.314 -1.101 3.844 1.00 3.50 N ATOM 199 CA SER A 15 -17.545 -2.531 3.822 1.00 74.21 C ATOM 200 C SER A 15 -16.350 -3.314 3.266 1.00 44.43 C ATOM 201 O SER A 15 -16.182 -4.477 3.653 1.00 75.04 O ATOM 202 CB SER A 15 -18.823 -2.743 3.017 1.00 74.41 C ATOM 203 OG SER A 15 -19.949 -2.351 3.798 1.00 43.53 O ATOM 0 H SER A 15 -17.896 -0.592 3.178 1.00 3.50 H new ATOM 0 HA SER A 15 -17.662 -2.921 4.833 1.00 74.21 H new ATOM 0 HB2 SER A 15 -18.786 -2.161 2.096 1.00 74.41 H new ATOM 0 HB3 SER A 15 -18.914 -3.790 2.729 1.00 74.41 H new ATOM 0 HG SER A 15 -20.770 -2.486 3.280 1.00 43.53 H new ATOM 209 N PHE A 16 -15.488 -2.703 2.436 1.00 53.31 N ATOM 210 CA PHE A 16 -14.175 -3.279 2.167 1.00 54.04 C ATOM 211 C PHE A 16 -13.191 -2.869 3.261 1.00 15.32 C ATOM 212 O PHE A 16 -12.544 -3.749 3.830 1.00 54.11 O ATOM 213 CB PHE A 16 -13.672 -2.976 0.745 1.00 12.23 C ATOM 214 CG PHE A 16 -13.045 -1.622 0.456 1.00 53.23 C ATOM 215 CD1 PHE A 16 -11.682 -1.391 0.731 1.00 64.25 C ATOM 216 CD2 PHE A 16 -13.784 -0.635 -0.220 1.00 34.33 C ATOM 217 CE1 PHE A 16 -11.072 -0.193 0.323 1.00 44.11 C ATOM 218 CE2 PHE A 16 -13.164 0.553 -0.642 1.00 64.44 C ATOM 219 CZ PHE A 16 -11.806 0.776 -0.372 1.00 14.42 C ATOM 0 H PHE A 16 -15.678 -1.826 1.951 1.00 53.31 H new ATOM 0 HA PHE A 16 -14.265 -4.365 2.197 1.00 54.04 H new ATOM 0 HB2 PHE A 16 -12.939 -3.740 0.486 1.00 12.23 H new ATOM 0 HB3 PHE A 16 -14.515 -3.100 0.065 1.00 12.23 H new ATOM 0 HD1 PHE A 16 -11.105 -2.137 1.257 1.00 64.25 H new ATOM 0 HD2 PHE A 16 -14.835 -0.791 -0.416 1.00 34.33 H new ATOM 0 HE1 PHE A 16 -10.030 -0.018 0.547 1.00 44.11 H new ATOM 0 HE2 PHE A 16 -13.735 1.297 -1.176 1.00 64.44 H new ATOM 0 HZ PHE A 16 -11.330 1.689 -0.698 1.00 14.42 H new ATOM 229 N LEU A 17 -13.107 -1.567 3.568 1.00 51.02 N ATOM 230 CA LEU A 17 -12.075 -0.944 4.401 1.00 23.40 C ATOM 231 C LEU A 17 -11.962 -1.649 5.756 1.00 14.14 C ATOM 232 O LEU A 17 -10.871 -2.043 6.168 1.00 54.52 O ATOM 233 CB LEU A 17 -12.401 0.558 4.566 1.00 31.44 C ATOM 234 CG LEU A 17 -11.226 1.523 4.841 1.00 61.24 C ATOM 235 CD1 LEU A 17 -10.251 1.074 5.931 1.00 62.31 C ATOM 236 CD2 LEU A 17 -10.410 1.789 3.577 1.00 71.25 C ATOM 0 H LEU A 17 -13.789 -0.890 3.225 1.00 51.02 H new ATOM 0 HA LEU A 17 -11.105 -1.043 3.914 1.00 23.40 H new ATOM 0 HB2 LEU A 17 -12.905 0.893 3.659 1.00 31.44 H new ATOM 0 HB3 LEU A 17 -13.115 0.658 5.383 1.00 31.44 H new ATOM 0 HG LEU A 17 -11.724 2.425 5.196 1.00 61.24 H new ATOM 0 HD11 LEU A 17 -9.465 1.820 6.046 1.00 62.31 H new ATOM 0 HD12 LEU A 17 -10.786 0.963 6.874 1.00 62.31 H new ATOM 0 HD13 LEU A 17 -9.807 0.119 5.651 1.00 62.31 H new ATOM 0 HD21 LEU A 17 -9.592 2.472 3.809 1.00 71.25 H new ATOM 0 HD22 LEU A 17 -10.003 0.850 3.202 1.00 71.25 H new ATOM 0 HD23 LEU A 17 -11.051 2.236 2.817 1.00 71.25 H new ATOM 248 N ASP A 18 -13.087 -1.851 6.443 1.00 1.53 N ATOM 249 CA ASP A 18 -13.132 -2.413 7.793 1.00 74.24 C ATOM 250 C ASP A 18 -12.588 -3.842 7.801 1.00 3.22 C ATOM 251 O ASP A 18 -11.693 -4.169 8.578 1.00 22.40 O ATOM 252 CB ASP A 18 -14.567 -2.387 8.342 1.00 44.55 C ATOM 253 CG ASP A 18 -14.927 -1.076 9.043 1.00 64.12 C ATOM 254 OD1 ASP A 18 -14.608 0.031 8.557 1.00 73.45 O ATOM 255 OD2 ASP A 18 -15.581 -1.160 10.111 1.00 32.21 O ATOM 0 H ASP A 18 -14.009 -1.624 6.070 1.00 1.53 H new ATOM 0 HA ASP A 18 -12.502 -1.799 8.437 1.00 74.24 H new ATOM 0 HB2 ASP A 18 -15.265 -2.555 7.522 1.00 44.55 H new ATOM 0 HB3 ASP A 18 -14.695 -3.212 9.043 1.00 44.55 H new ATOM 260 N LYS A 19 -13.082 -4.717 6.918 1.00 31.10 N ATOM 261 CA LYS A 19 -12.562 -6.076 6.814 1.00 55.35 C ATOM 262 C LYS A 19 -11.093 -6.044 6.418 1.00 21.03 C ATOM 263 O LYS A 19 -10.302 -6.806 6.979 1.00 55.45 O ATOM 264 CB LYS A 19 -13.372 -6.857 5.777 1.00 22.14 C ATOM 265 CG LYS A 19 -14.645 -7.499 6.352 1.00 23.23 C ATOM 266 CD LYS A 19 -14.634 -9.039 6.329 1.00 73.03 C ATOM 267 CE LYS A 19 -13.644 -9.646 7.335 1.00 3.23 C ATOM 268 NZ LYS A 19 -13.832 -11.107 7.483 1.00 43.45 N ATOM 0 H LYS A 19 -13.839 -4.505 6.269 1.00 31.10 H new ATOM 0 HA LYS A 19 -12.651 -6.570 7.782 1.00 55.35 H new ATOM 0 HB2 LYS A 19 -13.648 -6.187 4.963 1.00 22.14 H new ATOM 0 HB3 LYS A 19 -12.743 -7.637 5.348 1.00 22.14 H new ATOM 0 HG2 LYS A 19 -14.777 -7.162 7.380 1.00 23.23 H new ATOM 0 HG3 LYS A 19 -15.506 -7.143 5.787 1.00 23.23 H new ATOM 0 HD2 LYS A 19 -15.637 -9.408 6.546 1.00 73.03 H new ATOM 0 HD3 LYS A 19 -14.379 -9.380 5.326 1.00 73.03 H new ATOM 0 HE2 LYS A 19 -12.624 -9.443 7.008 1.00 3.23 H new ATOM 0 HE3 LYS A 19 -13.770 -9.164 8.304 1.00 3.23 H new ATOM 0 HZ1 LYS A 19 -13.394 -11.425 8.371 1.00 43.45 H new ATOM 0 HZ2 LYS A 19 -14.848 -11.326 7.501 1.00 43.45 H new ATOM 0 HZ3 LYS A 19 -13.386 -11.597 6.682 1.00 43.45 H new ATOM 282 N PHE A 20 -10.728 -5.191 5.460 1.00 13.43 N ATOM 283 CA PHE A 20 -9.366 -5.050 4.982 1.00 20.42 C ATOM 284 C PHE A 20 -8.429 -4.735 6.155 1.00 12.20 C ATOM 285 O PHE A 20 -7.377 -5.368 6.280 1.00 14.50 O ATOM 286 CB PHE A 20 -9.309 -4.012 3.850 1.00 22.22 C ATOM 287 CG PHE A 20 -7.919 -3.553 3.454 1.00 74.24 C ATOM 288 CD1 PHE A 20 -7.263 -2.598 4.248 1.00 0.23 C ATOM 289 CD2 PHE A 20 -7.322 -3.975 2.251 1.00 1.23 C ATOM 290 CE1 PHE A 20 -6.025 -2.070 3.864 1.00 61.51 C ATOM 291 CE2 PHE A 20 -6.073 -3.455 1.867 1.00 40.32 C ATOM 292 CZ PHE A 20 -5.420 -2.507 2.674 1.00 62.51 C ATOM 0 H PHE A 20 -11.388 -4.571 4.991 1.00 13.43 H new ATOM 0 HA PHE A 20 -9.017 -5.989 4.553 1.00 20.42 H new ATOM 0 HB2 PHE A 20 -9.798 -4.432 2.971 1.00 22.22 H new ATOM 0 HB3 PHE A 20 -9.889 -3.139 4.151 1.00 22.22 H new ATOM 0 HD1 PHE A 20 -7.721 -2.266 5.168 1.00 0.23 H new ATOM 0 HD2 PHE A 20 -7.823 -4.697 1.624 1.00 1.23 H new ATOM 0 HE1 PHE A 20 -5.537 -1.329 4.480 1.00 61.51 H new ATOM 0 HE2 PHE A 20 -5.613 -3.786 0.947 1.00 40.32 H new ATOM 0 HZ PHE A 20 -4.457 -2.116 2.380 1.00 62.51 H new ATOM 302 N THR A 21 -8.816 -3.806 7.031 1.00 44.55 N ATOM 303 CA THR A 21 -8.023 -3.404 8.185 1.00 2.43 C ATOM 304 C THR A 21 -8.097 -4.419 9.341 1.00 61.33 C ATOM 305 O THR A 21 -7.287 -4.308 10.261 1.00 13.41 O ATOM 306 CB THR A 21 -8.398 -1.969 8.634 1.00 64.41 C ATOM 307 OG1 THR A 21 -9.789 -1.737 8.638 1.00 52.23 O ATOM 308 CG2 THR A 21 -7.761 -0.893 7.746 1.00 72.23 C ATOM 0 H THR A 21 -9.702 -3.307 6.954 1.00 44.55 H new ATOM 0 HA THR A 21 -6.978 -3.393 7.874 1.00 2.43 H new ATOM 0 HB THR A 21 -8.012 -1.899 9.651 1.00 64.41 H new ATOM 0 HG1 THR A 21 -10.119 -1.713 7.716 1.00 52.23 H new ATOM 0 HG21 THR A 21 -8.055 0.094 8.103 1.00 72.23 H new ATOM 0 HG22 THR A 21 -6.676 -0.985 7.785 1.00 72.23 H new ATOM 0 HG23 THR A 21 -8.099 -1.023 6.718 1.00 72.23 H new ATOM 316 N SER A 22 -8.979 -5.428 9.298 1.00 32.04 N ATOM 317 CA SER A 22 -9.248 -6.322 10.425 1.00 0.51 C ATOM 318 C SER A 22 -8.988 -7.808 10.103 1.00 23.41 C ATOM 319 O SER A 22 -9.239 -8.665 10.954 1.00 61.02 O ATOM 320 CB SER A 22 -10.676 -6.027 10.928 1.00 44.11 C ATOM 321 OG SER A 22 -10.888 -6.449 12.266 1.00 12.40 O ATOM 0 H SER A 22 -9.530 -5.646 8.468 1.00 32.04 H new ATOM 0 HA SER A 22 -8.541 -6.123 11.230 1.00 0.51 H new ATOM 0 HB2 SER A 22 -10.868 -4.956 10.855 1.00 44.11 H new ATOM 0 HB3 SER A 22 -11.395 -6.524 10.277 1.00 44.11 H new ATOM 0 HG SER A 22 -10.459 -7.319 12.406 1.00 12.40 H new ATOM 327 N SER A 23 -8.484 -8.168 8.913 1.00 23.11 N ATOM 328 CA SER A 23 -8.157 -9.563 8.588 1.00 3.52 C ATOM 329 C SER A 23 -6.982 -9.659 7.616 1.00 64.43 C ATOM 330 O SER A 23 -7.147 -9.337 6.439 1.00 1.43 O ATOM 331 CB SER A 23 -9.400 -10.314 8.067 1.00 1.33 C ATOM 332 OG SER A 23 -10.286 -9.516 7.291 1.00 73.34 O ATOM 0 H SER A 23 -8.294 -7.509 8.158 1.00 23.11 H new ATOM 0 HA SER A 23 -7.840 -10.052 9.509 1.00 3.52 H new ATOM 0 HB2 SER A 23 -9.072 -11.161 7.465 1.00 1.33 H new ATOM 0 HB3 SER A 23 -9.947 -10.720 8.918 1.00 1.33 H new ATOM 0 HG SER A 23 -9.948 -8.597 7.250 1.00 73.34 H new ATOM 338 N ALA A 24 -5.806 -10.102 8.076 1.00 12.20 N ATOM 339 CA ALA A 24 -4.587 -10.214 7.276 1.00 40.25 C ATOM 340 C ALA A 24 -4.861 -11.018 6.014 1.00 44.32 C ATOM 341 O ALA A 24 -4.589 -10.568 4.900 1.00 20.52 O ATOM 342 CB ALA A 24 -3.477 -10.909 8.079 1.00 44.14 C ATOM 0 H ALA A 24 -5.676 -10.400 9.043 1.00 12.20 H new ATOM 0 HA ALA A 24 -4.263 -9.208 7.009 1.00 40.25 H new ATOM 0 HB1 ALA A 24 -2.578 -10.983 7.468 1.00 44.14 H new ATOM 0 HB2 ALA A 24 -3.259 -10.329 8.976 1.00 44.14 H new ATOM 0 HB3 ALA A 24 -3.806 -11.908 8.364 1.00 44.14 H new ATOM 348 N ALA A 25 -5.415 -12.217 6.194 1.00 72.14 N ATOM 349 CA ALA A 25 -5.592 -13.181 5.124 1.00 43.43 C ATOM 350 C ALA A 25 -6.495 -12.663 3.997 1.00 14.00 C ATOM 351 O ALA A 25 -6.387 -13.136 2.861 1.00 2.05 O ATOM 352 CB ALA A 25 -6.164 -14.458 5.729 1.00 33.33 C ATOM 0 H ALA A 25 -5.755 -12.543 7.099 1.00 72.14 H new ATOM 0 HA ALA A 25 -4.622 -13.370 4.664 1.00 43.43 H new ATOM 0 HB1 ALA A 25 -6.307 -15.200 4.944 1.00 33.33 H new ATOM 0 HB2 ALA A 25 -5.473 -14.848 6.476 1.00 33.33 H new ATOM 0 HB3 ALA A 25 -7.122 -14.240 6.201 1.00 33.33 H new ATOM 358 N PHE A 26 -7.366 -11.688 4.286 1.00 55.21 N ATOM 359 CA PHE A 26 -8.260 -11.111 3.294 1.00 53.33 C ATOM 360 C PHE A 26 -7.517 -10.237 2.287 1.00 24.20 C ATOM 361 O PHE A 26 -7.936 -10.174 1.132 1.00 31.22 O ATOM 362 CB PHE A 26 -9.399 -10.316 3.955 1.00 73.31 C ATOM 363 CG PHE A 26 -10.720 -11.046 3.856 1.00 14.32 C ATOM 364 CD1 PHE A 26 -11.435 -11.026 2.644 1.00 42.45 C ATOM 365 CD2 PHE A 26 -11.192 -11.817 4.935 1.00 4.40 C ATOM 366 CE1 PHE A 26 -12.606 -11.785 2.508 1.00 32.43 C ATOM 367 CE2 PHE A 26 -12.356 -12.590 4.792 1.00 40.55 C ATOM 368 CZ PHE A 26 -13.062 -12.575 3.578 1.00 4.10 C ATOM 0 H PHE A 26 -7.465 -11.282 5.216 1.00 55.21 H new ATOM 0 HA PHE A 26 -8.696 -11.948 2.748 1.00 53.33 H new ATOM 0 HB2 PHE A 26 -9.159 -10.139 5.003 1.00 73.31 H new ATOM 0 HB3 PHE A 26 -9.486 -9.340 3.478 1.00 73.31 H new ATOM 0 HD1 PHE A 26 -11.082 -10.426 1.819 1.00 42.45 H new ATOM 0 HD2 PHE A 26 -10.658 -11.814 5.874 1.00 4.40 H new ATOM 0 HE1 PHE A 26 -13.158 -11.763 1.580 1.00 32.43 H new ATOM 0 HE2 PHE A 26 -12.708 -13.195 5.615 1.00 40.55 H new ATOM 0 HZ PHE A 26 -13.956 -13.171 3.466 1.00 4.10 H new ATOM 378 N GLN A 27 -6.432 -9.563 2.677 1.00 21.43 N ATOM 379 CA GLN A 27 -5.828 -8.513 1.863 1.00 13.11 C ATOM 380 C GLN A 27 -5.392 -9.067 0.508 1.00 73.15 C ATOM 381 O GLN A 27 -5.736 -8.518 -0.538 1.00 45.14 O ATOM 382 CB GLN A 27 -4.672 -7.856 2.642 1.00 51.11 C ATOM 383 CG GLN A 27 -4.833 -6.335 2.631 1.00 1.01 C ATOM 384 CD GLN A 27 -3.848 -5.658 3.572 1.00 4.00 C ATOM 385 OE1 GLN A 27 -2.655 -5.667 3.293 1.00 60.31 O ATOM 386 NE2 GLN A 27 -4.317 -5.104 4.678 1.00 33.51 N ATOM 0 H GLN A 27 -5.952 -9.731 3.561 1.00 21.43 H new ATOM 0 HA GLN A 27 -6.564 -7.737 1.654 1.00 13.11 H new ATOM 0 HB2 GLN A 27 -4.660 -8.221 3.669 1.00 51.11 H new ATOM 0 HB3 GLN A 27 -3.717 -8.132 2.194 1.00 51.11 H new ATOM 0 HG2 GLN A 27 -4.685 -5.961 1.618 1.00 1.01 H new ATOM 0 HG3 GLN A 27 -5.851 -6.075 2.921 1.00 1.01 H new ATOM 0 HE21 GLN A 27 -5.318 -5.119 4.871 1.00 33.51 H new ATOM 0 HE22 GLN A 27 -3.677 -4.662 5.338 1.00 33.51 H new ATOM 395 N TYR A 28 -4.738 -10.228 0.533 1.00 63.22 N ATOM 396 CA TYR A 28 -4.228 -10.959 -0.623 1.00 34.53 C ATOM 397 C TYR A 28 -5.308 -11.289 -1.662 1.00 10.23 C ATOM 398 O TYR A 28 -4.986 -11.489 -2.837 1.00 32.41 O ATOM 399 CB TYR A 28 -3.531 -12.235 -0.121 1.00 42.34 C ATOM 400 CG TYR A 28 -2.541 -12.026 1.021 1.00 71.13 C ATOM 401 CD1 TYR A 28 -1.188 -11.742 0.753 1.00 41.43 C ATOM 402 CD2 TYR A 28 -2.977 -12.102 2.359 1.00 20.14 C ATOM 403 CE1 TYR A 28 -0.271 -11.564 1.807 1.00 74.21 C ATOM 404 CE2 TYR A 28 -2.071 -11.913 3.418 1.00 75.32 C ATOM 405 CZ TYR A 28 -0.711 -11.671 3.146 1.00 23.34 C ATOM 406 OH TYR A 28 0.180 -11.605 4.170 1.00 12.33 O ATOM 0 H TYR A 28 -4.540 -10.709 1.410 1.00 63.22 H new ATOM 0 HA TYR A 28 -3.519 -10.316 -1.144 1.00 34.53 H new ATOM 0 HB2 TYR A 28 -4.293 -12.942 0.205 1.00 42.34 H new ATOM 0 HB3 TYR A 28 -3.005 -12.696 -0.957 1.00 42.34 H new ATOM 0 HD1 TYR A 28 -0.851 -11.660 -0.270 1.00 41.43 H new ATOM 0 HD2 TYR A 28 -4.016 -12.307 2.573 1.00 20.14 H new ATOM 0 HE1 TYR A 28 0.765 -11.346 1.593 1.00 74.21 H new ATOM 0 HE2 TYR A 28 -2.419 -11.954 4.440 1.00 75.32 H new ATOM 0 HH TYR A 28 -0.294 -11.695 5.023 1.00 12.33 H new ATOM 416 N THR A 29 -6.583 -11.322 -1.259 1.00 63.35 N ATOM 417 CA THR A 29 -7.690 -11.675 -2.140 1.00 44.05 C ATOM 418 C THR A 29 -8.157 -10.497 -3.000 1.00 34.21 C ATOM 419 O THR A 29 -8.822 -10.719 -4.010 1.00 73.23 O ATOM 420 CB THR A 29 -8.854 -12.286 -1.323 1.00 41.41 C ATOM 421 OG1 THR A 29 -9.563 -11.327 -0.555 1.00 3.13 O ATOM 422 CG2 THR A 29 -8.390 -13.381 -0.348 1.00 43.25 C ATOM 0 H THR A 29 -6.872 -11.102 -0.306 1.00 63.35 H new ATOM 0 HA THR A 29 -7.326 -12.429 -2.838 1.00 44.05 H new ATOM 0 HB THR A 29 -9.507 -12.709 -2.086 1.00 41.41 H new ATOM 0 HG1 THR A 29 -9.027 -11.072 0.225 1.00 3.13 H new ATOM 0 HG21 THR A 29 -9.250 -13.772 0.196 1.00 43.25 H new ATOM 0 HG22 THR A 29 -7.917 -14.189 -0.906 1.00 43.25 H new ATOM 0 HG23 THR A 29 -7.674 -12.960 0.358 1.00 43.25 H new ATOM 430 N ARG A 30 -7.816 -9.253 -2.633 1.00 24.40 N ATOM 431 CA ARG A 30 -8.410 -8.057 -3.220 1.00 23.40 C ATOM 432 C ARG A 30 -7.326 -7.055 -3.585 1.00 33.14 C ATOM 433 O ARG A 30 -7.264 -5.950 -3.053 1.00 21.10 O ATOM 434 CB ARG A 30 -9.516 -7.489 -2.314 1.00 45.11 C ATOM 435 CG ARG A 30 -9.092 -7.204 -0.860 1.00 24.34 C ATOM 436 CD ARG A 30 -9.780 -5.959 -0.282 1.00 65.33 C ATOM 437 NE ARG A 30 -11.248 -6.017 -0.359 1.00 5.04 N ATOM 438 CZ ARG A 30 -12.084 -6.565 0.533 1.00 35.53 C ATOM 439 NH1 ARG A 30 -11.635 -7.215 1.604 1.00 71.13 N ATOM 440 NH2 ARG A 30 -13.390 -6.461 0.359 1.00 61.33 N ATOM 0 H ARG A 30 -7.117 -9.054 -1.917 1.00 24.40 H new ATOM 0 HA ARG A 30 -8.909 -8.316 -4.154 1.00 23.40 H new ATOM 0 HB2 ARG A 30 -9.886 -6.564 -2.756 1.00 45.11 H new ATOM 0 HB3 ARG A 30 -10.349 -8.191 -2.301 1.00 45.11 H new ATOM 0 HG2 ARG A 30 -9.330 -8.068 -0.239 1.00 24.34 H new ATOM 0 HG3 ARG A 30 -8.011 -7.070 -0.819 1.00 24.34 H new ATOM 0 HD2 ARG A 30 -9.482 -5.838 0.760 1.00 65.33 H new ATOM 0 HD3 ARG A 30 -9.430 -5.077 -0.818 1.00 65.33 H new ATOM 0 HE ARG A 30 -11.676 -5.593 -1.182 1.00 5.04 H new ATOM 0 HH11 ARG A 30 -10.631 -7.306 1.762 1.00 71.13 H new ATOM 0 HH12 ARG A 30 -12.294 -7.622 2.267 1.00 71.13 H new ATOM 0 HH21 ARG A 30 -13.758 -5.965 -0.452 1.00 61.33 H new ATOM 0 HH22 ARG A 30 -14.029 -6.877 1.036 1.00 61.33 H new ATOM 454 N VAL A 31 -6.439 -7.452 -4.487 1.00 51.24 N ATOM 455 CA VAL A 31 -5.380 -6.617 -5.024 1.00 23.11 C ATOM 456 C VAL A 31 -5.029 -7.055 -6.443 1.00 34.20 C ATOM 457 O VAL A 31 -5.061 -8.254 -6.734 1.00 23.52 O ATOM 458 CB VAL A 31 -4.228 -6.608 -4.003 1.00 32.42 C ATOM 459 CG1 VAL A 31 -3.853 -7.949 -3.379 1.00 72.31 C ATOM 460 CG2 VAL A 31 -2.953 -5.977 -4.573 1.00 10.10 C ATOM 0 H VAL A 31 -6.439 -8.395 -4.876 1.00 51.24 H new ATOM 0 HA VAL A 31 -5.682 -5.577 -5.149 1.00 23.11 H new ATOM 0 HB VAL A 31 -4.650 -6.002 -3.201 1.00 32.42 H new ATOM 0 HG11 VAL A 31 -3.030 -7.807 -2.679 1.00 72.31 H new ATOM 0 HG12 VAL A 31 -4.714 -8.357 -2.849 1.00 72.31 H new ATOM 0 HG13 VAL A 31 -3.547 -8.642 -4.163 1.00 72.31 H new ATOM 0 HG21 VAL A 31 -2.169 -5.994 -3.816 1.00 10.10 H new ATOM 0 HG22 VAL A 31 -2.626 -6.542 -5.446 1.00 10.10 H new ATOM 0 HG23 VAL A 31 -3.156 -4.946 -4.863 1.00 10.10 H new ATOM 470 N LYS A 32 -4.742 -6.093 -7.332 1.00 61.53 N ATOM 471 CA LYS A 32 -4.175 -6.397 -8.652 1.00 70.23 C ATOM 472 C LYS A 32 -2.663 -6.265 -8.513 1.00 53.43 C ATOM 473 O LYS A 32 -2.201 -5.618 -7.582 1.00 73.51 O ATOM 474 CB LYS A 32 -4.724 -5.426 -9.712 1.00 22.21 C ATOM 475 CG LYS A 32 -6.173 -5.741 -10.129 1.00 5.12 C ATOM 476 CD LYS A 32 -6.272 -6.794 -11.242 1.00 64.23 C ATOM 477 CE LYS A 32 -7.721 -7.120 -11.642 1.00 41.23 C ATOM 478 NZ LYS A 32 -8.474 -5.977 -12.207 1.00 3.11 N ATOM 0 H LYS A 32 -4.893 -5.099 -7.160 1.00 61.53 H new ATOM 0 HA LYS A 32 -4.446 -7.401 -8.979 1.00 70.23 H new ATOM 0 HB2 LYS A 32 -4.677 -4.409 -9.323 1.00 22.21 H new ATOM 0 HB3 LYS A 32 -4.083 -5.460 -10.593 1.00 22.21 H new ATOM 0 HG2 LYS A 32 -6.726 -6.091 -9.257 1.00 5.12 H new ATOM 0 HG3 LYS A 32 -6.655 -4.822 -10.464 1.00 5.12 H new ATOM 0 HD2 LYS A 32 -5.731 -6.438 -12.119 1.00 64.23 H new ATOM 0 HD3 LYS A 32 -5.778 -7.708 -10.913 1.00 64.23 H new ATOM 0 HE2 LYS A 32 -7.710 -7.928 -12.373 1.00 41.23 H new ATOM 0 HE3 LYS A 32 -8.252 -7.491 -10.765 1.00 41.23 H new ATOM 0 HZ1 LYS A 32 -9.482 -6.074 -11.970 1.00 3.11 H new ATOM 0 HZ2 LYS A 32 -8.109 -5.089 -11.808 1.00 3.11 H new ATOM 0 HZ3 LYS A 32 -8.361 -5.964 -13.241 1.00 3.11 H new ATOM 492 N PHE A 33 -1.881 -6.860 -9.409 1.00 53.25 N ATOM 493 CA PHE A 33 -0.422 -6.820 -9.355 1.00 62.12 C ATOM 494 C PHE A 33 0.130 -6.959 -10.779 1.00 72.53 C ATOM 495 O PHE A 33 -0.522 -7.623 -11.588 1.00 53.31 O ATOM 496 CB PHE A 33 0.096 -8.037 -8.578 1.00 30.24 C ATOM 497 CG PHE A 33 -0.046 -7.934 -7.082 1.00 34.31 C ATOM 498 CD1 PHE A 33 0.624 -6.906 -6.404 1.00 63.22 C ATOM 499 CD2 PHE A 33 -0.815 -8.865 -6.364 1.00 73.13 C ATOM 500 CE1 PHE A 33 0.531 -6.801 -5.013 1.00 12.01 C ATOM 501 CE2 PHE A 33 -0.833 -8.820 -4.963 1.00 62.35 C ATOM 502 CZ PHE A 33 -0.169 -7.784 -4.289 1.00 45.13 C ATOM 0 H PHE A 33 -2.246 -7.389 -10.201 1.00 53.25 H new ATOM 0 HA PHE A 33 -0.113 -5.886 -8.885 1.00 62.12 H new ATOM 0 HB2 PHE A 33 -0.438 -8.924 -8.920 1.00 30.24 H new ATOM 0 HB3 PHE A 33 1.148 -8.185 -8.820 1.00 30.24 H new ATOM 0 HD1 PHE A 33 1.215 -6.192 -6.959 1.00 63.22 H new ATOM 0 HD2 PHE A 33 -1.390 -9.613 -6.890 1.00 73.13 H new ATOM 0 HE1 PHE A 33 0.993 -5.972 -4.498 1.00 12.01 H new ATOM 0 HE2 PHE A 33 -1.357 -9.581 -4.404 1.00 62.35 H new ATOM 0 HZ PHE A 33 -0.195 -7.741 -3.210 1.00 45.13 H new ATOM 512 N PRO A 34 1.349 -6.471 -11.071 1.00 3.10 N ATOM 513 CA PRO A 34 2.090 -5.521 -10.250 1.00 53.33 C ATOM 514 C PRO A 34 1.322 -4.211 -10.139 1.00 14.41 C ATOM 515 O PRO A 34 0.345 -3.958 -10.852 1.00 3.01 O ATOM 516 CB PRO A 34 3.440 -5.331 -10.955 1.00 41.15 C ATOM 517 CG PRO A 34 3.140 -5.654 -12.419 1.00 30.42 C ATOM 518 CD PRO A 34 2.044 -6.715 -12.326 1.00 44.43 C ATOM 0 HA PRO A 34 2.233 -5.878 -9.230 1.00 53.33 H new ATOM 0 HB2 PRO A 34 3.811 -4.313 -10.839 1.00 41.15 H new ATOM 0 HB3 PRO A 34 4.201 -5.996 -10.547 1.00 41.15 H new ATOM 0 HG2 PRO A 34 2.802 -4.773 -12.964 1.00 30.42 H new ATOM 0 HG3 PRO A 34 4.022 -6.031 -12.937 1.00 30.42 H new ATOM 0 HD2 PRO A 34 1.359 -6.642 -13.171 1.00 44.43 H new ATOM 0 HD3 PRO A 34 2.470 -7.718 -12.346 1.00 44.43 H new ATOM 526 N LEU A 35 1.759 -3.394 -9.194 1.00 44.14 N ATOM 527 CA LEU A 35 1.181 -2.097 -8.935 1.00 13.32 C ATOM 528 C LEU A 35 1.840 -1.063 -9.825 1.00 64.24 C ATOM 529 O LEU A 35 2.510 -1.400 -10.806 1.00 24.30 O ATOM 530 CB LEU A 35 1.386 -1.721 -7.472 1.00 21.33 C ATOM 531 CG LEU A 35 0.829 -2.690 -6.427 1.00 61.25 C ATOM 532 CD1 LEU A 35 -0.465 -3.356 -6.833 1.00 54.43 C ATOM 533 CD2 LEU A 35 1.929 -3.539 -5.903 1.00 53.31 C ATOM 0 H LEU A 35 2.539 -3.623 -8.578 1.00 44.14 H new ATOM 0 HA LEU A 35 0.112 -2.131 -9.147 1.00 13.32 H new ATOM 0 HB2 LEU A 35 2.456 -1.610 -7.296 1.00 21.33 H new ATOM 0 HB3 LEU A 35 0.932 -0.744 -7.305 1.00 21.33 H new ATOM 0 HG LEU A 35 0.469 -2.140 -5.558 1.00 61.25 H new ATOM 0 HD11 LEU A 35 -0.794 -4.027 -6.039 1.00 54.43 H new ATOM 0 HD12 LEU A 35 -1.227 -2.596 -7.004 1.00 54.43 H new ATOM 0 HD13 LEU A 35 -0.309 -3.926 -7.749 1.00 54.43 H new ATOM 0 HD21 LEU A 35 1.533 -4.229 -5.158 1.00 53.31 H new ATOM 0 HD22 LEU A 35 2.374 -4.104 -6.722 1.00 53.31 H new ATOM 0 HD23 LEU A 35 2.689 -2.907 -5.444 1.00 53.31 H new ATOM 545 N LYS A 36 1.619 0.193 -9.464 1.00 31.52 N ATOM 546 CA LYS A 36 2.035 1.327 -10.288 1.00 41.44 C ATOM 547 C LYS A 36 3.194 2.155 -9.742 1.00 74.21 C ATOM 548 O LYS A 36 3.965 2.674 -10.556 1.00 25.14 O ATOM 549 CB LYS A 36 0.842 2.172 -10.711 1.00 23.11 C ATOM 550 CG LYS A 36 0.046 2.842 -9.584 1.00 71.44 C ATOM 551 CD LYS A 36 -0.832 3.921 -10.230 1.00 12.42 C ATOM 552 CE LYS A 36 -1.987 3.288 -11.026 1.00 25.32 C ATOM 553 NZ LYS A 36 -2.566 4.230 -12.001 1.00 12.00 N ATOM 0 H LYS A 36 1.150 0.457 -8.598 1.00 31.52 H new ATOM 0 HA LYS A 36 2.465 0.878 -11.184 1.00 41.44 H new ATOM 0 HB2 LYS A 36 1.197 2.950 -11.387 1.00 23.11 H new ATOM 0 HB3 LYS A 36 0.161 1.540 -11.281 1.00 23.11 H new ATOM 0 HG2 LYS A 36 -0.568 2.110 -9.058 1.00 71.44 H new ATOM 0 HG3 LYS A 36 0.718 3.283 -8.847 1.00 71.44 H new ATOM 0 HD2 LYS A 36 -1.234 4.578 -9.459 1.00 12.42 H new ATOM 0 HD3 LYS A 36 -0.226 4.540 -10.891 1.00 12.42 H new ATOM 0 HE2 LYS A 36 -1.625 2.402 -11.548 1.00 25.32 H new ATOM 0 HE3 LYS A 36 -2.764 2.956 -10.337 1.00 25.32 H new ATOM 0 HZ1 LYS A 36 -3.340 3.764 -12.516 1.00 12.00 H new ATOM 0 HZ2 LYS A 36 -2.935 5.064 -11.501 1.00 12.00 H new ATOM 0 HZ3 LYS A 36 -1.832 4.527 -12.675 1.00 12.00 H new ATOM 567 N THR A 37 3.430 2.195 -8.435 1.00 53.03 N ATOM 568 CA THR A 37 4.706 2.653 -7.887 1.00 61.55 C ATOM 569 C THR A 37 5.323 1.434 -7.181 1.00 53.45 C ATOM 570 O THR A 37 5.060 1.208 -6.001 1.00 65.53 O ATOM 571 CB THR A 37 4.498 3.905 -7.019 1.00 42.24 C ATOM 572 OG1 THR A 37 3.704 4.853 -7.708 1.00 42.31 O ATOM 573 CG2 THR A 37 5.822 4.597 -6.692 1.00 43.43 C ATOM 0 H THR A 37 2.750 1.914 -7.729 1.00 53.03 H new ATOM 0 HA THR A 37 5.413 2.993 -8.643 1.00 61.55 H new ATOM 0 HB THR A 37 4.016 3.568 -6.102 1.00 42.24 H new ATOM 0 HG1 THR A 37 3.577 5.645 -7.145 1.00 42.31 H new ATOM 0 HG21 THR A 37 5.631 5.477 -6.077 1.00 43.43 H new ATOM 0 HG22 THR A 37 6.468 3.908 -6.148 1.00 43.43 H new ATOM 0 HG23 THR A 37 6.312 4.900 -7.617 1.00 43.43 H new ATOM 581 N PRO A 38 6.008 0.539 -7.921 1.00 10.21 N ATOM 582 CA PRO A 38 6.507 -0.730 -7.394 1.00 45.15 C ATOM 583 C PRO A 38 7.705 -0.494 -6.457 1.00 73.25 C ATOM 584 O PRO A 38 8.039 0.634 -6.109 1.00 70.23 O ATOM 585 CB PRO A 38 6.886 -1.534 -8.649 1.00 54.13 C ATOM 586 CG PRO A 38 7.376 -0.450 -9.606 1.00 21.13 C ATOM 587 CD PRO A 38 6.414 0.698 -9.312 1.00 45.14 C ATOM 0 HA PRO A 38 5.776 -1.263 -6.787 1.00 45.15 H new ATOM 0 HB2 PRO A 38 7.662 -2.270 -8.439 1.00 54.13 H new ATOM 0 HB3 PRO A 38 6.033 -2.077 -9.055 1.00 54.13 H new ATOM 0 HG2 PRO A 38 8.412 -0.173 -9.411 1.00 21.13 H new ATOM 0 HG3 PRO A 38 7.322 -0.770 -10.646 1.00 21.13 H new ATOM 0 HD2 PRO A 38 6.898 1.662 -9.469 1.00 45.14 H new ATOM 0 HD3 PRO A 38 5.551 0.663 -9.976 1.00 45.14 H new ATOM 595 N ILE A 39 8.385 -1.579 -6.081 1.00 54.04 N ATOM 596 CA ILE A 39 9.761 -1.499 -5.614 1.00 41.31 C ATOM 597 C ILE A 39 10.562 -0.813 -6.721 1.00 53.35 C ATOM 598 O ILE A 39 10.514 -1.305 -7.857 1.00 1.13 O ATOM 599 CB ILE A 39 10.317 -2.922 -5.379 1.00 72.30 C ATOM 600 CG1 ILE A 39 9.481 -3.737 -4.364 1.00 73.20 C ATOM 601 CG2 ILE A 39 11.809 -2.883 -4.999 1.00 31.42 C ATOM 602 CD1 ILE A 39 8.624 -4.798 -5.063 1.00 2.22 C ATOM 0 H ILE A 39 8.000 -2.523 -6.093 1.00 54.04 H new ATOM 0 HA ILE A 39 9.826 -0.946 -4.677 1.00 41.31 H new ATOM 0 HB ILE A 39 10.230 -3.452 -6.328 1.00 72.30 H new ATOM 0 HG12 ILE A 39 10.146 -4.220 -3.648 1.00 73.20 H new ATOM 0 HG13 ILE A 39 8.837 -3.064 -3.798 1.00 73.20 H new ATOM 0 HG21 ILE A 39 12.171 -3.899 -4.840 1.00 31.42 H new ATOM 0 HG22 ILE A 39 12.377 -2.417 -5.804 1.00 31.42 H new ATOM 0 HG23 ILE A 39 11.936 -2.305 -4.083 1.00 31.42 H new ATOM 0 HD11 ILE A 39 8.051 -5.351 -4.319 1.00 2.22 H new ATOM 0 HD12 ILE A 39 7.941 -4.313 -5.760 1.00 2.22 H new ATOM 0 HD13 ILE A 39 9.270 -5.486 -5.608 1.00 2.22 H new ATOM 614 N THR A 40 11.334 0.220 -6.386 1.00 33.10 N ATOM 615 CA THR A 40 12.420 0.721 -7.215 1.00 21.51 C ATOM 616 C THR A 40 13.604 0.970 -6.274 1.00 71.42 C ATOM 617 O THR A 40 13.484 1.758 -5.335 1.00 22.12 O ATOM 618 CB THR A 40 12.014 1.974 -8.014 1.00 3.11 C ATOM 619 OG1 THR A 40 10.750 1.838 -8.639 1.00 33.40 O ATOM 620 CG2 THR A 40 13.032 2.263 -9.117 1.00 61.22 C ATOM 0 H THR A 40 11.217 0.738 -5.515 1.00 33.10 H new ATOM 0 HA THR A 40 12.693 -0.006 -7.980 1.00 21.51 H new ATOM 0 HB THR A 40 11.972 2.786 -7.288 1.00 3.11 H new ATOM 0 HG1 THR A 40 10.538 2.659 -9.131 1.00 33.40 H new ATOM 0 HG21 THR A 40 12.727 3.152 -9.670 1.00 61.22 H new ATOM 0 HG22 THR A 40 14.013 2.431 -8.672 1.00 61.22 H new ATOM 0 HG23 THR A 40 13.083 1.413 -9.797 1.00 61.22 H new ATOM 628 N LEU A 41 14.712 0.257 -6.502 1.00 54.11 N ATOM 629 CA LEU A 41 15.948 0.284 -5.716 1.00 73.23 C ATOM 630 C LEU A 41 17.130 0.576 -6.642 1.00 11.32 C ATOM 631 O LEU A 41 17.072 0.335 -7.851 1.00 63.13 O ATOM 632 CB LEU A 41 16.125 -1.023 -4.936 1.00 11.32 C ATOM 633 CG LEU A 41 16.016 -2.352 -5.706 1.00 44.32 C ATOM 634 CD1 LEU A 41 17.050 -2.572 -6.811 1.00 62.53 C ATOM 635 CD2 LEU A 41 16.196 -3.460 -4.680 1.00 54.01 C ATOM 0 H LEU A 41 14.773 -0.392 -7.286 1.00 54.11 H new ATOM 0 HA LEU A 41 15.896 1.081 -4.975 1.00 73.23 H new ATOM 0 HB2 LEU A 41 17.104 -0.995 -4.458 1.00 11.32 H new ATOM 0 HB3 LEU A 41 15.381 -1.038 -4.139 1.00 11.32 H new ATOM 0 HG LEU A 41 15.050 -2.342 -6.211 1.00 44.32 H new ATOM 0 HD11 LEU A 41 16.877 -3.539 -7.284 1.00 62.53 H new ATOM 0 HD12 LEU A 41 16.960 -1.782 -7.556 1.00 62.53 H new ATOM 0 HD13 LEU A 41 18.052 -2.552 -6.381 1.00 62.53 H new ATOM 0 HD21 LEU A 41 16.127 -4.429 -5.175 1.00 54.01 H new ATOM 0 HD22 LEU A 41 17.173 -3.363 -4.207 1.00 54.01 H new ATOM 0 HD23 LEU A 41 15.417 -3.384 -3.922 1.00 54.01 H new ATOM 647 N LEU A 42 18.220 1.097 -6.082 1.00 4.25 N ATOM 648 CA LEU A 42 19.295 1.729 -6.833 1.00 71.42 C ATOM 649 C LEU A 42 20.398 0.738 -7.262 1.00 52.32 C ATOM 650 O LEU A 42 21.590 1.060 -7.294 1.00 53.00 O ATOM 651 CB LEU A 42 19.822 2.923 -6.014 1.00 12.01 C ATOM 652 CG LEU A 42 19.979 4.223 -6.818 1.00 32.32 C ATOM 653 CD1 LEU A 42 20.404 4.006 -8.273 1.00 22.24 C ATOM 654 CD2 LEU A 42 18.708 5.073 -6.828 1.00 22.52 C ATOM 0 H LEU A 42 18.381 1.090 -5.075 1.00 4.25 H new ATOM 0 HA LEU A 42 18.903 2.100 -7.780 1.00 71.42 H new ATOM 0 HB2 LEU A 42 19.143 3.105 -5.181 1.00 12.01 H new ATOM 0 HB3 LEU A 42 20.788 2.656 -5.585 1.00 12.01 H new ATOM 0 HG LEU A 42 20.776 4.748 -6.291 1.00 32.32 H new ATOM 0 HD11 LEU A 42 20.493 4.970 -8.774 1.00 22.24 H new ATOM 0 HD12 LEU A 42 21.366 3.493 -8.299 1.00 22.24 H new ATOM 0 HD13 LEU A 42 19.656 3.400 -8.784 1.00 22.24 H new ATOM 0 HD21 LEU A 42 18.880 5.978 -7.411 1.00 22.52 H new ATOM 0 HD22 LEU A 42 17.893 4.503 -7.274 1.00 22.52 H new ATOM 0 HD23 LEU A 42 18.444 5.345 -5.806 1.00 22.52 H new ATOM 666 N ALA A 43 19.994 -0.470 -7.647 1.00 3.33 N ATOM 667 CA ALA A 43 20.850 -1.633 -7.893 1.00 41.03 C ATOM 668 C ALA A 43 21.897 -1.830 -6.776 1.00 22.33 C ATOM 669 O ALA A 43 21.716 -1.344 -5.659 1.00 31.22 O ATOM 670 CB ALA A 43 21.411 -1.508 -9.311 1.00 1.31 C ATOM 0 H ALA A 43 19.008 -0.677 -7.805 1.00 3.33 H new ATOM 0 HA ALA A 43 20.279 -2.560 -7.849 1.00 41.03 H new ATOM 0 HB1 ALA A 43 22.054 -2.362 -9.524 1.00 1.31 H new ATOM 0 HB2 ALA A 43 20.589 -1.485 -10.027 1.00 1.31 H new ATOM 0 HB3 ALA A 43 21.990 -0.588 -9.394 1.00 1.31 H new ATOM 676 N ASP A 44 22.932 -2.640 -7.017 1.00 51.10 N ATOM 677 CA ASP A 44 24.038 -2.907 -6.072 1.00 5.03 C ATOM 678 C ASP A 44 25.174 -1.938 -6.434 1.00 10.23 C ATOM 679 O ASP A 44 26.335 -2.334 -6.554 1.00 13.11 O ATOM 680 CB ASP A 44 24.475 -4.410 -6.086 1.00 73.52 C ATOM 681 CG ASP A 44 23.912 -5.293 -4.959 1.00 12.15 C ATOM 682 OD1 ASP A 44 23.468 -4.752 -3.926 1.00 61.41 O ATOM 683 OD2 ASP A 44 23.871 -6.540 -5.125 1.00 44.00 O ATOM 0 H ASP A 44 23.033 -3.146 -7.897 1.00 51.10 H new ATOM 0 HA ASP A 44 23.723 -2.734 -5.043 1.00 5.03 H new ATOM 0 HB2 ASP A 44 24.179 -4.844 -7.041 1.00 73.52 H new ATOM 0 HB3 ASP A 44 25.563 -4.451 -6.041 1.00 73.52 H new ATOM 688 N ASP A 45 24.841 -0.684 -6.757 1.00 31.22 N ATOM 689 CA ASP A 45 25.771 0.247 -7.398 1.00 42.40 C ATOM 690 C ASP A 45 25.496 1.683 -6.967 1.00 3.33 C ATOM 691 O ASP A 45 26.416 2.376 -6.538 1.00 30.55 O ATOM 692 CB ASP A 45 25.699 0.112 -8.929 1.00 51.22 C ATOM 693 CG ASP A 45 26.979 -0.471 -9.525 1.00 33.15 C ATOM 694 OD1 ASP A 45 27.961 0.281 -9.688 1.00 44.32 O ATOM 695 OD2 ASP A 45 26.960 -1.673 -9.897 1.00 13.02 O ATOM 0 H ASP A 45 23.918 -0.287 -6.581 1.00 31.22 H new ATOM 0 HA ASP A 45 26.781 -0.009 -7.077 1.00 42.40 H new ATOM 0 HB2 ASP A 45 24.855 -0.525 -9.195 1.00 51.22 H new ATOM 0 HB3 ASP A 45 25.511 1.091 -9.369 1.00 51.22 H new ATOM 700 N GLY A 46 24.240 2.130 -7.052 1.00 12.23 N ATOM 701 CA GLY A 46 23.854 3.522 -6.861 1.00 13.42 C ATOM 702 C GLY A 46 23.597 4.238 -8.187 1.00 25.31 C ATOM 703 O GLY A 46 23.475 5.464 -8.202 1.00 2.35 O ATOM 0 H GLY A 46 23.451 1.518 -7.260 1.00 12.23 H new ATOM 0 HA2 GLY A 46 22.955 3.567 -6.246 1.00 13.42 H new ATOM 0 HA3 GLY A 46 24.640 4.043 -6.315 1.00 13.42 H new ATOM 707 N GLU A 47 23.490 3.501 -9.304 1.00 53.43 N ATOM 708 CA GLU A 47 23.338 4.083 -10.634 1.00 42.02 C ATOM 709 C GLU A 47 22.177 3.527 -11.455 1.00 71.24 C ATOM 710 O GLU A 47 21.959 4.020 -12.565 1.00 21.54 O ATOM 711 CB GLU A 47 24.657 3.938 -11.399 1.00 71.33 C ATOM 712 CG GLU A 47 25.822 4.634 -10.687 1.00 21.52 C ATOM 713 CD GLU A 47 26.920 4.970 -11.684 1.00 62.21 C ATOM 714 OE1 GLU A 47 27.514 4.031 -12.260 1.00 30.42 O ATOM 715 OE2 GLU A 47 27.145 6.174 -11.941 1.00 51.04 O ATOM 0 H GLU A 47 23.507 2.481 -9.303 1.00 53.43 H new ATOM 0 HA GLU A 47 23.087 5.132 -10.480 1.00 42.02 H new ATOM 0 HB2 GLU A 47 24.889 2.880 -11.521 1.00 71.33 H new ATOM 0 HB3 GLU A 47 24.543 4.357 -12.399 1.00 71.33 H new ATOM 0 HG2 GLU A 47 25.470 5.544 -10.202 1.00 21.52 H new ATOM 0 HG3 GLU A 47 26.217 3.988 -9.903 1.00 21.52 H new ATOM 722 N THR A 48 21.412 2.552 -10.958 1.00 4.05 N ATOM 723 CA THR A 48 20.385 1.894 -11.756 1.00 73.31 C ATOM 724 C THR A 48 19.126 1.663 -10.921 1.00 63.11 C ATOM 725 O THR A 48 19.121 0.843 -10.011 1.00 2.11 O ATOM 726 CB THR A 48 20.949 0.592 -12.328 1.00 25.45 C ATOM 727 OG1 THR A 48 22.221 0.805 -12.923 1.00 33.34 O ATOM 728 CG2 THR A 48 20.043 0.046 -13.420 1.00 1.14 C ATOM 0 H THR A 48 21.488 2.203 -10.003 1.00 4.05 H new ATOM 0 HA THR A 48 20.096 2.533 -12.591 1.00 73.31 H new ATOM 0 HB THR A 48 21.024 -0.108 -11.496 1.00 25.45 H new ATOM 0 HG1 THR A 48 22.561 -0.042 -13.280 1.00 33.34 H new ATOM 0 HG21 THR A 48 20.463 -0.880 -13.812 1.00 1.14 H new ATOM 0 HG22 THR A 48 19.054 -0.151 -13.007 1.00 1.14 H new ATOM 0 HG23 THR A 48 19.961 0.777 -14.224 1.00 1.14 H new ATOM 736 N GLU A 49 18.075 2.412 -11.224 1.00 32.33 N ATOM 737 CA GLU A 49 16.732 2.314 -10.652 1.00 61.24 C ATOM 738 C GLU A 49 16.029 1.047 -11.173 1.00 4.12 C ATOM 739 O GLU A 49 15.207 1.100 -12.094 1.00 30.23 O ATOM 740 CB GLU A 49 15.917 3.558 -11.040 1.00 41.43 C ATOM 741 CG GLU A 49 16.387 4.871 -10.395 1.00 44.02 C ATOM 742 CD GLU A 49 15.571 6.096 -10.832 1.00 5.34 C ATOM 743 OE1 GLU A 49 14.420 5.967 -11.316 1.00 31.30 O ATOM 744 OE2 GLU A 49 16.086 7.235 -10.699 1.00 32.44 O ATOM 0 H GLU A 49 18.138 3.154 -11.921 1.00 32.33 H new ATOM 0 HA GLU A 49 16.808 2.255 -9.566 1.00 61.24 H new ATOM 0 HB2 GLU A 49 15.949 3.671 -12.124 1.00 41.43 H new ATOM 0 HB3 GLU A 49 14.875 3.390 -10.768 1.00 41.43 H new ATOM 0 HG2 GLU A 49 16.330 4.775 -9.311 1.00 44.02 H new ATOM 0 HG3 GLU A 49 17.435 5.035 -10.646 1.00 44.02 H new ATOM 751 N LYS A 50 16.355 -0.120 -10.621 1.00 22.25 N ATOM 752 CA LYS A 50 15.731 -1.377 -11.031 1.00 50.21 C ATOM 753 C LYS A 50 14.455 -1.589 -10.243 1.00 24.14 C ATOM 754 O LYS A 50 14.397 -1.322 -9.041 1.00 54.10 O ATOM 755 CB LYS A 50 16.643 -2.591 -10.845 1.00 52.03 C ATOM 756 CG LYS A 50 17.940 -2.492 -11.649 1.00 51.42 C ATOM 757 CD LYS A 50 18.567 -3.881 -11.766 1.00 12.21 C ATOM 758 CE LYS A 50 20.050 -3.789 -12.099 1.00 23.11 C ATOM 759 NZ LYS A 50 20.326 -3.486 -13.520 1.00 33.52 N ATOM 0 H LYS A 50 17.052 -0.221 -9.884 1.00 22.25 H new ATOM 0 HA LYS A 50 15.522 -1.292 -12.097 1.00 50.21 H new ATOM 0 HB2 LYS A 50 16.885 -2.698 -9.788 1.00 52.03 H new ATOM 0 HB3 LYS A 50 16.105 -3.491 -11.142 1.00 52.03 H new ATOM 0 HG2 LYS A 50 17.737 -2.087 -12.640 1.00 51.42 H new ATOM 0 HG3 LYS A 50 18.633 -1.807 -11.161 1.00 51.42 H new ATOM 0 HD2 LYS A 50 18.435 -4.423 -10.829 1.00 12.21 H new ATOM 0 HD3 LYS A 50 18.053 -4.451 -12.539 1.00 12.21 H new ATOM 0 HE2 LYS A 50 20.505 -3.017 -11.478 1.00 23.11 H new ATOM 0 HE3 LYS A 50 20.530 -4.732 -11.839 1.00 23.11 H new ATOM 0 HZ1 LYS A 50 21.250 -3.016 -13.602 1.00 33.52 H new ATOM 0 HZ2 LYS A 50 20.338 -4.370 -14.068 1.00 33.52 H new ATOM 0 HZ3 LYS A 50 19.584 -2.859 -13.892 1.00 33.52 H new ATOM 773 N THR A 51 13.466 -2.155 -10.915 1.00 10.42 N ATOM 774 CA THR A 51 12.170 -2.486 -10.354 1.00 4.35 C ATOM 775 C THR A 51 12.097 -3.986 -10.050 1.00 14.13 C ATOM 776 O THR A 51 12.869 -4.779 -10.602 1.00 70.22 O ATOM 777 CB THR A 51 11.079 -2.007 -11.325 1.00 32.12 C ATOM 778 OG1 THR A 51 11.404 -2.389 -12.648 1.00 14.01 O ATOM 779 CG2 THR A 51 10.945 -0.484 -11.309 1.00 23.41 C ATOM 0 H THR A 51 13.548 -2.405 -11.901 1.00 10.42 H new ATOM 0 HA THR A 51 12.012 -1.977 -9.403 1.00 4.35 H new ATOM 0 HB THR A 51 10.143 -2.463 -11.003 1.00 32.12 H new ATOM 0 HG1 THR A 51 10.702 -2.081 -13.259 1.00 14.01 H new ATOM 0 HG21 THR A 51 10.165 -0.180 -12.007 1.00 23.41 H new ATOM 0 HG22 THR A 51 10.682 -0.152 -10.304 1.00 23.41 H new ATOM 0 HG23 THR A 51 11.892 -0.032 -11.604 1.00 23.41 H new ATOM 787 N PHE A 52 11.187 -4.387 -9.154 1.00 11.44 N ATOM 788 CA PHE A 52 11.044 -5.765 -8.677 1.00 61.50 C ATOM 789 C PHE A 52 9.555 -6.153 -8.574 1.00 44.10 C ATOM 790 O PHE A 52 8.702 -5.272 -8.424 1.00 70.52 O ATOM 791 CB PHE A 52 11.755 -5.919 -7.314 1.00 70.52 C ATOM 792 CG PHE A 52 13.176 -6.444 -7.385 1.00 31.51 C ATOM 793 CD1 PHE A 52 14.209 -5.661 -7.937 1.00 51.13 C ATOM 794 CD2 PHE A 52 13.471 -7.725 -6.878 1.00 54.24 C ATOM 795 CE1 PHE A 52 15.505 -6.186 -8.065 1.00 63.22 C ATOM 796 CE2 PHE A 52 14.774 -8.238 -6.972 1.00 3.32 C ATOM 797 CZ PHE A 52 15.781 -7.479 -7.586 1.00 73.40 C ATOM 0 H PHE A 52 10.515 -3.746 -8.732 1.00 11.44 H new ATOM 0 HA PHE A 52 11.512 -6.441 -9.392 1.00 61.50 H new ATOM 0 HB2 PHE A 52 11.767 -4.949 -6.816 1.00 70.52 H new ATOM 0 HB3 PHE A 52 11.167 -6.591 -6.689 1.00 70.52 H new ATOM 0 HD1 PHE A 52 14.003 -4.652 -8.263 1.00 51.13 H new ATOM 0 HD2 PHE A 52 12.692 -8.314 -6.416 1.00 54.24 H new ATOM 0 HE1 PHE A 52 16.285 -5.600 -8.529 1.00 63.22 H new ATOM 0 HE2 PHE A 52 15.001 -9.215 -6.572 1.00 3.32 H new ATOM 0 HZ PHE A 52 16.774 -7.890 -7.692 1.00 73.40 H new ATOM 807 N PRO A 53 9.217 -7.459 -8.614 1.00 61.31 N ATOM 808 CA PRO A 53 7.842 -7.950 -8.550 1.00 4.42 C ATOM 809 C PRO A 53 7.233 -7.760 -7.162 1.00 34.15 C ATOM 810 O PRO A 53 7.540 -8.502 -6.223 1.00 70.30 O ATOM 811 CB PRO A 53 7.888 -9.433 -8.927 1.00 53.02 C ATOM 812 CG PRO A 53 9.324 -9.842 -8.609 1.00 24.45 C ATOM 813 CD PRO A 53 10.124 -8.569 -8.870 1.00 45.00 C ATOM 0 HA PRO A 53 7.208 -7.387 -9.235 1.00 4.42 H new ATOM 0 HB2 PRO A 53 7.169 -10.015 -8.351 1.00 53.02 H new ATOM 0 HB3 PRO A 53 7.652 -9.586 -9.980 1.00 53.02 H new ATOM 0 HG2 PRO A 53 9.427 -10.176 -7.576 1.00 24.45 H new ATOM 0 HG3 PRO A 53 9.657 -10.663 -9.244 1.00 24.45 H new ATOM 0 HD2 PRO A 53 10.996 -8.517 -8.218 1.00 45.00 H new ATOM 0 HD3 PRO A 53 10.491 -8.543 -9.896 1.00 45.00 H new ATOM 821 N PHE A 54 6.341 -6.784 -7.030 1.00 41.41 N ATOM 822 CA PHE A 54 5.484 -6.645 -5.865 1.00 74.12 C ATOM 823 C PHE A 54 4.440 -7.779 -5.919 1.00 5.35 C ATOM 824 O PHE A 54 3.631 -7.830 -6.849 1.00 32.33 O ATOM 825 CB PHE A 54 4.847 -5.244 -5.861 1.00 41.33 C ATOM 826 CG PHE A 54 4.768 -4.591 -4.494 1.00 54.41 C ATOM 827 CD1 PHE A 54 3.849 -5.050 -3.532 1.00 64.21 C ATOM 828 CD2 PHE A 54 5.609 -3.505 -4.184 1.00 50.41 C ATOM 829 CE1 PHE A 54 3.847 -4.492 -2.241 1.00 34.12 C ATOM 830 CE2 PHE A 54 5.595 -2.936 -2.901 1.00 24.30 C ATOM 831 CZ PHE A 54 4.731 -3.450 -1.922 1.00 2.44 C ATOM 0 H PHE A 54 6.194 -6.063 -7.736 1.00 41.41 H new ATOM 0 HA PHE A 54 6.043 -6.734 -4.934 1.00 74.12 H new ATOM 0 HB2 PHE A 54 5.419 -4.597 -6.526 1.00 41.33 H new ATOM 0 HB3 PHE A 54 3.841 -5.315 -6.274 1.00 41.33 H new ATOM 0 HD1 PHE A 54 3.146 -5.830 -3.785 1.00 64.21 H new ATOM 0 HD2 PHE A 54 6.270 -3.107 -4.939 1.00 50.41 H new ATOM 0 HE1 PHE A 54 3.163 -4.866 -1.493 1.00 34.12 H new ATOM 0 HE2 PHE A 54 6.246 -2.106 -2.668 1.00 24.30 H new ATOM 0 HZ PHE A 54 4.746 -3.043 -0.922 1.00 2.44 H new ATOM 841 N THR A 55 4.497 -8.727 -4.985 1.00 24.51 N ATOM 842 CA THR A 55 3.507 -9.785 -4.761 1.00 54.03 C ATOM 843 C THR A 55 3.668 -10.302 -3.324 1.00 21.25 C ATOM 844 O THR A 55 4.364 -9.677 -2.519 1.00 4.44 O ATOM 845 CB THR A 55 3.601 -10.881 -5.846 1.00 14.32 C ATOM 846 OG1 THR A 55 2.589 -11.860 -5.714 1.00 2.23 O ATOM 847 CG2 THR A 55 4.962 -11.571 -5.882 1.00 32.54 C ATOM 0 H THR A 55 5.275 -8.783 -4.328 1.00 24.51 H new ATOM 0 HA THR A 55 2.494 -9.394 -4.858 1.00 54.03 H new ATOM 0 HB THR A 55 3.460 -10.350 -6.788 1.00 14.32 H new ATOM 0 HG1 THR A 55 2.688 -12.530 -6.422 1.00 2.23 H new ATOM 0 HG21 THR A 55 4.965 -12.330 -6.664 1.00 32.54 H new ATOM 0 HG22 THR A 55 5.738 -10.834 -6.089 1.00 32.54 H new ATOM 0 HG23 THR A 55 5.157 -12.042 -4.919 1.00 32.54 H new ATOM 855 N LYS A 56 3.042 -11.442 -3.008 1.00 71.10 N ATOM 856 CA LYS A 56 2.917 -12.065 -1.696 1.00 72.34 C ATOM 857 C LYS A 56 4.230 -12.078 -0.928 1.00 72.50 C ATOM 858 O LYS A 56 4.229 -11.769 0.263 1.00 33.12 O ATOM 859 CB LYS A 56 2.385 -13.497 -1.857 1.00 2.32 C ATOM 860 CG LYS A 56 0.925 -13.616 -2.322 1.00 12.13 C ATOM 861 CD LYS A 56 0.375 -15.015 -1.994 1.00 62.32 C ATOM 862 CE LYS A 56 -1.110 -15.176 -2.351 1.00 51.24 C ATOM 863 NZ LYS A 56 -1.317 -15.874 -3.633 1.00 42.40 N ATOM 0 H LYS A 56 2.573 -11.993 -3.727 1.00 71.10 H new ATOM 0 HA LYS A 56 2.216 -11.467 -1.114 1.00 72.34 H new ATOM 0 HB2 LYS A 56 3.019 -14.022 -2.571 1.00 2.32 H new ATOM 0 HB3 LYS A 56 2.486 -14.012 -0.902 1.00 2.32 H new ATOM 0 HG2 LYS A 56 0.317 -12.855 -1.834 1.00 12.13 H new ATOM 0 HG3 LYS A 56 0.862 -13.435 -3.395 1.00 12.13 H new ATOM 0 HD2 LYS A 56 0.956 -15.763 -2.534 1.00 62.32 H new ATOM 0 HD3 LYS A 56 0.511 -15.212 -0.931 1.00 62.32 H new ATOM 0 HE2 LYS A 56 -1.612 -15.728 -1.557 1.00 51.24 H new ATOM 0 HE3 LYS A 56 -1.576 -14.192 -2.399 1.00 51.24 H new ATOM 0 HZ1 LYS A 56 -2.336 -15.955 -3.824 1.00 42.40 H new ATOM 0 HZ2 LYS A 56 -0.863 -15.336 -4.398 1.00 42.40 H new ATOM 0 HZ3 LYS A 56 -0.898 -16.824 -3.582 1.00 42.40 H new ATOM 877 N GLU A 57 5.334 -12.394 -1.605 1.00 5.13 N ATOM 878 CA GLU A 57 6.682 -12.403 -1.053 1.00 35.52 C ATOM 879 C GLU A 57 6.956 -11.134 -0.243 1.00 61.53 C ATOM 880 O GLU A 57 7.427 -11.211 0.888 1.00 1.32 O ATOM 881 CB GLU A 57 7.670 -12.518 -2.223 1.00 65.51 C ATOM 882 CG GLU A 57 9.137 -12.535 -1.767 1.00 71.20 C ATOM 883 CD GLU A 57 10.149 -12.748 -2.899 1.00 64.32 C ATOM 884 OE1 GLU A 57 9.749 -12.829 -4.086 1.00 53.04 O ATOM 885 OE2 GLU A 57 11.365 -12.762 -2.618 1.00 51.21 O ATOM 0 H GLU A 57 5.309 -12.660 -2.589 1.00 5.13 H new ATOM 0 HA GLU A 57 6.796 -13.248 -0.374 1.00 35.52 H new ATOM 0 HB2 GLU A 57 7.458 -13.429 -2.783 1.00 65.51 H new ATOM 0 HB3 GLU A 57 7.516 -11.682 -2.905 1.00 65.51 H new ATOM 0 HG2 GLU A 57 9.361 -11.592 -1.268 1.00 71.20 H new ATOM 0 HG3 GLU A 57 9.266 -13.325 -1.027 1.00 71.20 H new ATOM 892 N LYS A 58 6.662 -9.973 -0.824 1.00 1.45 N ATOM 893 CA LYS A 58 7.055 -8.655 -0.343 1.00 74.23 C ATOM 894 C LYS A 58 5.814 -7.789 -0.157 1.00 71.22 C ATOM 895 O LYS A 58 5.761 -6.651 -0.605 1.00 63.23 O ATOM 896 CB LYS A 58 8.135 -8.057 -1.261 1.00 21.45 C ATOM 897 CG LYS A 58 7.866 -8.005 -2.766 1.00 34.12 C ATOM 898 CD LYS A 58 9.237 -8.013 -3.463 1.00 63.11 C ATOM 899 CE LYS A 58 9.819 -9.428 -3.626 1.00 72.10 C ATOM 900 NZ LYS A 58 9.301 -10.139 -4.816 1.00 74.12 N ATOM 0 H LYS A 58 6.117 -9.926 -1.685 1.00 1.45 H new ATOM 0 HA LYS A 58 7.521 -8.719 0.640 1.00 74.23 H new ATOM 0 HB2 LYS A 58 8.330 -7.039 -0.924 1.00 21.45 H new ATOM 0 HB3 LYS A 58 9.052 -8.625 -1.108 1.00 21.45 H new ATOM 0 HG2 LYS A 58 7.267 -8.859 -3.081 1.00 34.12 H new ATOM 0 HG3 LYS A 58 7.305 -7.108 -3.028 1.00 34.12 H new ATOM 0 HD2 LYS A 58 9.142 -7.550 -4.445 1.00 63.11 H new ATOM 0 HD3 LYS A 58 9.934 -7.403 -2.889 1.00 63.11 H new ATOM 0 HE2 LYS A 58 10.905 -9.361 -3.695 1.00 72.10 H new ATOM 0 HE3 LYS A 58 9.591 -10.012 -2.734 1.00 72.10 H new ATOM 0 HZ1 LYS A 58 9.018 -11.103 -4.548 1.00 74.12 H new ATOM 0 HZ2 LYS A 58 8.477 -9.629 -5.194 1.00 74.12 H new ATOM 0 HZ3 LYS A 58 10.043 -10.185 -5.543 1.00 74.12 H new ATOM 914 N TRP A 59 4.801 -8.368 0.484 1.00 55.03 N ATOM 915 CA TRP A 59 3.543 -7.715 0.817 1.00 41.23 C ATOM 916 C TRP A 59 3.471 -7.378 2.313 1.00 15.24 C ATOM 917 O TRP A 59 3.036 -8.246 3.081 1.00 33.15 O ATOM 918 CB TRP A 59 2.335 -8.534 0.349 1.00 62.42 C ATOM 919 CG TRP A 59 1.027 -7.834 0.578 1.00 41.13 C ATOM 920 CD1 TRP A 59 0.223 -7.978 1.658 1.00 53.21 C ATOM 921 CD2 TRP A 59 0.407 -6.790 -0.232 1.00 12.00 C ATOM 922 NE1 TRP A 59 -0.855 -7.120 1.552 1.00 44.12 N ATOM 923 CE2 TRP A 59 -0.796 -6.370 0.408 1.00 23.50 C ATOM 924 CE3 TRP A 59 0.718 -6.177 -1.461 1.00 31.42 C ATOM 925 CZ2 TRP A 59 -1.673 -5.440 -0.156 1.00 13.04 C ATOM 926 CZ3 TRP A 59 -0.163 -5.248 -2.045 1.00 65.23 C ATOM 927 CH2 TRP A 59 -1.357 -4.894 -1.402 1.00 54.01 C ATOM 0 H TRP A 59 4.838 -9.339 0.795 1.00 55.03 H new ATOM 0 HA TRP A 59 3.507 -6.771 0.273 1.00 41.23 H new ATOM 0 HB2 TRP A 59 2.442 -8.754 -0.713 1.00 62.42 H new ATOM 0 HB3 TRP A 59 2.326 -9.490 0.873 1.00 62.42 H new ATOM 0 HD1 TRP A 59 0.398 -8.660 2.477 1.00 53.21 H new ATOM 0 HE1 TRP A 59 -1.603 -7.054 2.242 1.00 44.12 H new ATOM 0 HE3 TRP A 59 1.643 -6.423 -1.961 1.00 31.42 H new ATOM 0 HZ2 TRP A 59 -2.576 -5.150 0.361 1.00 13.04 H new ATOM 0 HZ3 TRP A 59 0.083 -4.803 -2.998 1.00 65.23 H new ATOM 0 HH2 TRP A 59 -2.035 -4.197 -1.872 1.00 54.01 H new ATOM 938 N PRO A 60 3.963 -6.220 2.788 1.00 74.13 N ATOM 939 CA PRO A 60 3.514 -5.717 4.084 1.00 74.42 C ATOM 940 C PRO A 60 1.982 -5.601 4.065 1.00 60.24 C ATOM 941 O PRO A 60 1.414 -5.186 3.050 1.00 24.51 O ATOM 942 CB PRO A 60 4.197 -4.362 4.283 1.00 15.21 C ATOM 943 CG PRO A 60 4.501 -3.889 2.865 1.00 41.12 C ATOM 944 CD PRO A 60 4.643 -5.170 2.044 1.00 42.35 C ATOM 0 HA PRO A 60 3.775 -6.379 4.910 1.00 74.42 H new ATOM 0 HB2 PRO A 60 3.547 -3.661 4.807 1.00 15.21 H new ATOM 0 HB3 PRO A 60 5.107 -4.457 4.876 1.00 15.21 H new ATOM 0 HG2 PRO A 60 3.700 -3.259 2.479 1.00 41.12 H new ATOM 0 HG3 PRO A 60 5.415 -3.297 2.834 1.00 41.12 H new ATOM 0 HD2 PRO A 60 4.201 -5.047 1.055 1.00 42.35 H new ATOM 0 HD3 PRO A 60 5.693 -5.420 1.894 1.00 42.35 H new ATOM 952 N LEU A 61 1.309 -6.010 5.143 1.00 61.41 N ATOM 953 CA LEU A 61 -0.077 -5.646 5.375 1.00 44.02 C ATOM 954 C LEU A 61 -0.135 -4.127 5.553 1.00 63.52 C ATOM 955 O LEU A 61 0.734 -3.559 6.217 1.00 33.21 O ATOM 956 CB LEU A 61 -0.601 -6.364 6.633 1.00 51.52 C ATOM 957 CG LEU A 61 -1.041 -7.840 6.499 1.00 1.43 C ATOM 958 CD1 LEU A 61 -0.919 -8.504 5.124 1.00 42.33 C ATOM 959 CD2 LEU A 61 -0.309 -8.771 7.470 1.00 52.42 C ATOM 0 H LEU A 61 1.713 -6.599 5.871 1.00 61.41 H new ATOM 0 HA LEU A 61 -0.704 -5.945 4.535 1.00 44.02 H new ATOM 0 HB2 LEU A 61 0.179 -6.316 7.393 1.00 51.52 H new ATOM 0 HB3 LEU A 61 -1.451 -5.796 7.012 1.00 51.52 H new ATOM 0 HG LEU A 61 -2.102 -7.731 6.722 1.00 1.43 H new ATOM 0 HD11 LEU A 61 -1.265 -9.536 5.186 1.00 42.33 H new ATOM 0 HD12 LEU A 61 -1.528 -7.960 4.402 1.00 42.33 H new ATOM 0 HD13 LEU A 61 0.123 -8.489 4.804 1.00 42.33 H new ATOM 0 HD21 LEU A 61 -0.660 -9.793 7.329 1.00 52.42 H new ATOM 0 HD22 LEU A 61 0.763 -8.726 7.279 1.00 52.42 H new ATOM 0 HD23 LEU A 61 -0.508 -8.457 8.495 1.00 52.42 H new ATOM 971 N LEU A 62 -1.125 -3.464 4.948 1.00 75.14 N ATOM 972 CA LEU A 62 -1.387 -2.046 5.216 1.00 74.31 C ATOM 973 C LEU A 62 -2.561 -1.954 6.179 1.00 55.31 C ATOM 974 O LEU A 62 -3.492 -2.766 6.097 1.00 54.22 O ATOM 975 CB LEU A 62 -1.683 -1.232 3.948 1.00 32.54 C ATOM 976 CG LEU A 62 -0.679 -1.362 2.788 1.00 11.03 C ATOM 977 CD1 LEU A 62 -0.926 -0.199 1.813 1.00 42.05 C ATOM 978 CD2 LEU A 62 0.791 -1.360 3.220 1.00 73.42 C ATOM 0 H LEU A 62 -1.759 -3.886 4.269 1.00 75.14 H new ATOM 0 HA LEU A 62 -0.484 -1.614 5.647 1.00 74.31 H new ATOM 0 HB2 LEU A 62 -2.667 -1.523 3.580 1.00 32.54 H new ATOM 0 HB3 LEU A 62 -1.745 -0.180 4.227 1.00 32.54 H new ATOM 0 HG LEU A 62 -0.848 -2.334 2.325 1.00 11.03 H new ATOM 0 HD11 LEU A 62 -0.226 -0.268 0.980 1.00 42.05 H new ATOM 0 HD12 LEU A 62 -1.947 -0.252 1.435 1.00 42.05 H new ATOM 0 HD13 LEU A 62 -0.780 0.748 2.332 1.00 42.05 H new ATOM 0 HD21 LEU A 62 1.429 -1.455 2.341 1.00 73.42 H new ATOM 0 HD22 LEU A 62 1.018 -0.426 3.733 1.00 73.42 H new ATOM 0 HD23 LEU A 62 0.974 -2.198 3.893 1.00 73.42 H new ATOM 990 N ASP A 63 -2.535 -0.958 7.066 1.00 61.22 N ATOM 991 CA ASP A 63 -3.324 -0.982 8.292 1.00 74.21 C ATOM 992 C ASP A 63 -3.860 0.419 8.597 1.00 42.22 C ATOM 993 O ASP A 63 -3.543 1.377 7.886 1.00 15.21 O ATOM 994 CB ASP A 63 -2.476 -1.419 9.499 1.00 71.03 C ATOM 995 CG ASP A 63 -1.367 -2.456 9.323 1.00 31.31 C ATOM 996 OD1 ASP A 63 -1.454 -3.386 8.496 1.00 14.31 O ATOM 997 OD2 ASP A 63 -0.360 -2.316 10.052 1.00 13.53 O ATOM 0 H ASP A 63 -1.968 -0.117 6.953 1.00 61.22 H new ATOM 0 HA ASP A 63 -4.137 -1.691 8.135 1.00 74.21 H new ATOM 0 HB2 ASP A 63 -2.017 -0.522 9.914 1.00 71.03 H new ATOM 0 HB3 ASP A 63 -3.162 -1.804 10.254 1.00 71.03 H new ATOM 1002 N SER A 64 -4.608 0.581 9.693 1.00 34.34 N ATOM 1003 CA SER A 64 -5.074 1.892 10.139 1.00 73.43 C ATOM 1004 C SER A 64 -3.938 2.873 10.462 1.00 12.10 C ATOM 1005 O SER A 64 -4.117 4.087 10.372 1.00 54.23 O ATOM 1006 CB SER A 64 -5.983 1.763 11.362 1.00 71.22 C ATOM 1007 OG SER A 64 -6.902 0.684 11.258 1.00 33.13 O ATOM 0 H SER A 64 -4.905 -0.190 10.291 1.00 34.34 H new ATOM 0 HA SER A 64 -5.630 2.302 9.296 1.00 73.43 H new ATOM 0 HB2 SER A 64 -5.369 1.626 12.252 1.00 71.22 H new ATOM 0 HB3 SER A 64 -6.536 2.693 11.497 1.00 71.22 H new ATOM 0 HG SER A 64 -7.456 0.647 12.066 1.00 33.13 H new ATOM 1013 N GLU A 65 -2.755 2.371 10.813 1.00 11.13 N ATOM 1014 CA GLU A 65 -1.569 3.197 11.010 1.00 22.44 C ATOM 1015 C GLU A 65 -1.012 3.766 9.699 1.00 52.35 C ATOM 1016 O GLU A 65 -0.275 4.749 9.721 1.00 14.24 O ATOM 1017 CB GLU A 65 -0.500 2.400 11.751 1.00 2.32 C ATOM 1018 CG GLU A 65 -0.195 1.008 11.186 1.00 51.15 C ATOM 1019 CD GLU A 65 1.178 0.505 11.642 1.00 41.45 C ATOM 1020 OE1 GLU A 65 1.553 0.755 12.810 1.00 24.14 O ATOM 1021 OE2 GLU A 65 1.927 -0.071 10.822 1.00 12.31 O ATOM 0 H GLU A 65 -2.594 1.376 10.969 1.00 11.13 H new ATOM 0 HA GLU A 65 -1.869 4.055 11.612 1.00 22.44 H new ATOM 0 HB2 GLU A 65 0.423 2.980 11.754 1.00 2.32 H new ATOM 0 HB3 GLU A 65 -0.811 2.290 12.790 1.00 2.32 H new ATOM 0 HG2 GLU A 65 -0.965 0.307 11.507 1.00 51.15 H new ATOM 0 HG3 GLU A 65 -0.228 1.041 10.097 1.00 51.15 H new ATOM 1028 N THR A 66 -1.388 3.191 8.562 1.00 20.11 N ATOM 1029 CA THR A 66 -1.163 3.735 7.226 1.00 4.22 C ATOM 1030 C THR A 66 -2.298 4.677 6.804 1.00 12.13 C ATOM 1031 O THR A 66 -2.241 5.276 5.737 1.00 42.34 O ATOM 1032 CB THR A 66 -1.061 2.575 6.206 1.00 75.24 C ATOM 1033 OG1 THR A 66 -0.570 1.366 6.767 1.00 23.23 O ATOM 1034 CG2 THR A 66 -0.203 2.969 5.005 1.00 53.21 C ATOM 0 H THR A 66 -1.878 2.297 8.544 1.00 20.11 H new ATOM 0 HA THR A 66 -0.234 4.305 7.247 1.00 4.22 H new ATOM 0 HB THR A 66 -2.084 2.385 5.881 1.00 75.24 H new ATOM 0 HG1 THR A 66 -0.381 0.726 6.050 1.00 23.23 H new ATOM 0 HG21 THR A 66 -0.150 2.134 4.306 1.00 53.21 H new ATOM 0 HG22 THR A 66 -0.647 3.831 4.507 1.00 53.21 H new ATOM 0 HG23 THR A 66 0.801 3.223 5.343 1.00 53.21 H new ATOM 1042 N MET A 67 -3.366 4.798 7.590 1.00 34.10 N ATOM 1043 CA MET A 67 -4.639 5.395 7.165 1.00 71.15 C ATOM 1044 C MET A 67 -4.970 6.631 7.999 1.00 22.42 C ATOM 1045 O MET A 67 -6.122 7.047 8.101 1.00 60.11 O ATOM 1046 CB MET A 67 -5.747 4.321 7.156 1.00 64.43 C ATOM 1047 CG MET A 67 -7.050 4.737 6.453 1.00 43.22 C ATOM 1048 SD MET A 67 -6.861 5.554 4.845 1.00 42.25 S ATOM 1049 CE MET A 67 -6.536 4.117 3.803 1.00 32.40 C ATOM 0 H MET A 67 -3.375 4.479 8.559 1.00 34.10 H new ATOM 0 HA MET A 67 -4.555 5.757 6.140 1.00 71.15 H new ATOM 0 HB2 MET A 67 -5.360 3.425 6.670 1.00 64.43 H new ATOM 0 HB3 MET A 67 -5.978 4.050 8.186 1.00 64.43 H new ATOM 0 HG2 MET A 67 -7.665 3.848 6.316 1.00 43.22 H new ATOM 0 HG3 MET A 67 -7.599 5.406 7.116 1.00 43.22 H new ATOM 0 HE1 MET A 67 -6.394 4.440 2.772 1.00 32.40 H new ATOM 0 HE2 MET A 67 -5.636 3.611 4.152 1.00 32.40 H new ATOM 0 HE3 MET A 67 -7.381 3.431 3.855 1.00 32.40 H new ATOM 1059 N LYS A 68 -3.962 7.229 8.629 1.00 74.21 N ATOM 1060 CA LYS A 68 -4.120 8.502 9.326 1.00 73.33 C ATOM 1061 C LYS A 68 -3.836 9.642 8.351 1.00 62.11 C ATOM 1062 O LYS A 68 -2.888 9.567 7.567 1.00 11.54 O ATOM 1063 CB LYS A 68 -3.207 8.522 10.555 1.00 51.12 C ATOM 1064 CG LYS A 68 -1.722 8.461 10.163 1.00 72.03 C ATOM 1065 CD LYS A 68 -0.921 7.471 11.017 1.00 52.45 C ATOM 1066 CE LYS A 68 -0.515 8.012 12.390 1.00 75.24 C ATOM 1067 NZ LYS A 68 0.643 8.921 12.277 1.00 53.15 N ATOM 0 H LYS A 68 -3.017 6.847 8.671 1.00 74.21 H new ATOM 0 HA LYS A 68 -5.141 8.631 9.685 1.00 73.33 H new ATOM 0 HB2 LYS A 68 -3.394 9.428 11.132 1.00 51.12 H new ATOM 0 HB3 LYS A 68 -3.448 7.677 11.201 1.00 51.12 H new ATOM 0 HG2 LYS A 68 -1.640 8.178 9.114 1.00 72.03 H new ATOM 0 HG3 LYS A 68 -1.284 9.455 10.260 1.00 72.03 H new ATOM 0 HD2 LYS A 68 -1.513 6.566 11.156 1.00 52.45 H new ATOM 0 HD3 LYS A 68 -0.022 7.183 10.472 1.00 52.45 H new ATOM 0 HE2 LYS A 68 -1.355 8.541 12.840 1.00 75.24 H new ATOM 0 HE3 LYS A 68 -0.268 7.183 13.053 1.00 75.24 H new ATOM 0 HZ1 LYS A 68 1.089 9.033 13.210 1.00 53.15 H new ATOM 0 HZ2 LYS A 68 1.334 8.522 11.609 1.00 53.15 H new ATOM 0 HZ3 LYS A 68 0.324 9.849 11.932 1.00 53.15 H new ATOM 1081 N GLU A 69 -4.610 10.716 8.434 1.00 74.21 N ATOM 1082 CA GLU A 69 -4.334 11.953 7.736 1.00 12.20 C ATOM 1083 C GLU A 69 -3.735 12.950 8.691 1.00 51.21 C ATOM 1084 O GLU A 69 -4.200 13.100 9.823 1.00 32.41 O ATOM 1085 CB GLU A 69 -5.600 12.543 7.099 1.00 61.05 C ATOM 1086 CG GLU A 69 -6.228 11.658 6.012 1.00 0.33 C ATOM 1087 CD GLU A 69 -7.557 10.995 6.385 1.00 53.23 C ATOM 1088 OE1 GLU A 69 -7.870 10.770 7.576 1.00 51.13 O ATOM 1089 OE2 GLU A 69 -8.360 10.750 5.457 1.00 52.51 O ATOM 0 H GLU A 69 -5.459 10.747 8.998 1.00 74.21 H new ATOM 0 HA GLU A 69 -3.629 11.734 6.934 1.00 12.20 H new ATOM 0 HB2 GLU A 69 -6.339 12.718 7.881 1.00 61.05 H new ATOM 0 HB3 GLU A 69 -5.357 13.514 6.666 1.00 61.05 H new ATOM 0 HG2 GLU A 69 -6.383 12.264 5.120 1.00 0.33 H new ATOM 0 HG3 GLU A 69 -5.515 10.877 5.747 1.00 0.33 H new ATOM 1096 N GLU A 70 -2.715 13.653 8.209 1.00 15.14 N ATOM 1097 CA GLU A 70 -2.121 14.779 8.882 1.00 52.12 C ATOM 1098 C GLU A 70 -1.239 15.574 7.918 1.00 15.14 C ATOM 1099 O GLU A 70 -0.961 15.143 6.798 1.00 22.42 O ATOM 1100 CB GLU A 70 -1.411 14.324 10.155 1.00 4.52 C ATOM 1101 CG GLU A 70 -0.319 13.269 10.021 1.00 42.52 C ATOM 1102 CD GLU A 70 0.087 12.744 11.405 1.00 63.41 C ATOM 1103 OE1 GLU A 70 0.040 13.500 12.408 1.00 15.31 O ATOM 1104 OE2 GLU A 70 0.363 11.534 11.561 1.00 60.04 O ATOM 0 H GLU A 70 -2.274 13.441 7.314 1.00 15.14 H new ATOM 0 HA GLU A 70 -2.898 15.471 9.208 1.00 52.12 H new ATOM 0 HB2 GLU A 70 -0.971 15.203 10.626 1.00 4.52 H new ATOM 0 HB3 GLU A 70 -2.166 13.939 10.841 1.00 4.52 H new ATOM 0 HG2 GLU A 70 -0.674 12.445 9.402 1.00 42.52 H new ATOM 0 HG3 GLU A 70 0.549 13.696 9.517 1.00 42.52 H new ATOM 1111 N ARG A 71 -0.825 16.766 8.346 1.00 24.03 N ATOM 1112 CA ARG A 71 0.044 17.670 7.618 1.00 2.43 C ATOM 1113 C ARG A 71 1.021 18.250 8.632 1.00 61.02 C ATOM 1114 O ARG A 71 0.677 19.189 9.353 1.00 43.14 O ATOM 1115 CB ARG A 71 -0.818 18.705 6.878 1.00 54.54 C ATOM 1116 CG ARG A 71 0.016 19.635 5.988 1.00 31.31 C ATOM 1117 CD ARG A 71 0.430 20.956 6.660 1.00 31.00 C ATOM 1118 NE ARG A 71 0.124 22.115 5.799 1.00 72.21 N ATOM 1119 CZ ARG A 71 -0.964 22.891 5.871 1.00 44.01 C ATOM 1120 NH1 ARG A 71 -1.855 22.728 6.836 1.00 71.42 N ATOM 1121 NH2 ARG A 71 -1.177 23.818 4.951 1.00 4.22 N ATOM 0 H ARG A 71 -1.104 17.139 9.254 1.00 24.03 H new ATOM 0 HA ARG A 71 0.632 17.182 6.840 1.00 2.43 H new ATOM 0 HB2 ARG A 71 -1.556 18.187 6.266 1.00 54.54 H new ATOM 0 HB3 ARG A 71 -1.369 19.301 7.605 1.00 54.54 H new ATOM 0 HG2 ARG A 71 0.915 19.105 5.672 1.00 31.31 H new ATOM 0 HG3 ARG A 71 -0.554 19.863 5.087 1.00 31.31 H new ATOM 0 HD2 ARG A 71 -0.090 21.060 7.612 1.00 31.00 H new ATOM 0 HD3 ARG A 71 1.497 20.936 6.880 1.00 31.00 H new ATOM 0 HE ARG A 71 0.808 22.347 5.079 1.00 72.21 H new ATOM 0 HH11 ARG A 71 -1.718 22.002 7.539 1.00 71.42 H new ATOM 0 HH12 ARG A 71 -2.679 23.328 6.876 1.00 71.42 H new ATOM 0 HH21 ARG A 71 -0.512 23.941 4.187 1.00 4.22 H new ATOM 0 HH22 ARG A 71 -2.006 24.410 5.006 1.00 4.22 H new ATOM 1135 N ILE A 72 2.184 17.622 8.777 1.00 34.32 N ATOM 1136 CA ILE A 72 3.206 18.004 9.738 1.00 41.42 C ATOM 1137 C ILE A 72 4.059 19.061 9.040 1.00 12.43 C ATOM 1138 O ILE A 72 4.889 18.747 8.190 1.00 72.34 O ATOM 1139 CB ILE A 72 4.025 16.788 10.237 1.00 22.00 C ATOM 1140 CG1 ILE A 72 3.132 15.600 10.678 1.00 60.11 C ATOM 1141 CG2 ILE A 72 4.920 17.217 11.408 1.00 24.33 C ATOM 1142 CD1 ILE A 72 2.999 14.536 9.588 1.00 15.33 C ATOM 0 H ILE A 72 2.446 16.813 8.214 1.00 34.32 H new ATOM 0 HA ILE A 72 2.766 18.411 10.648 1.00 41.42 H new ATOM 0 HB ILE A 72 4.629 16.443 9.398 1.00 22.00 H new ATOM 0 HG12 ILE A 72 3.552 15.146 11.576 1.00 60.11 H new ATOM 0 HG13 ILE A 72 2.142 15.971 10.942 1.00 60.11 H new ATOM 0 HG21 ILE A 72 5.496 16.361 11.759 1.00 24.33 H new ATOM 0 HG22 ILE A 72 5.601 18.001 11.077 1.00 24.33 H new ATOM 0 HG23 ILE A 72 4.300 17.594 12.221 1.00 24.33 H new ATOM 0 HD11 ILE A 72 2.364 13.726 9.946 1.00 15.33 H new ATOM 0 HD12 ILE A 72 2.553 14.980 8.698 1.00 15.33 H new ATOM 0 HD13 ILE A 72 3.985 14.142 9.341 1.00 15.33 H new ATOM 1154 N THR A 73 3.806 20.326 9.359 1.00 33.12 N ATOM 1155 CA THR A 73 4.665 21.429 8.962 1.00 4.52 C ATOM 1156 C THR A 73 5.967 21.288 9.761 1.00 43.12 C ATOM 1157 O THR A 73 5.918 21.080 10.975 1.00 35.11 O ATOM 1158 CB THR A 73 3.884 22.745 9.177 1.00 31.11 C ATOM 1159 OG1 THR A 73 4.522 23.868 8.614 1.00 21.34 O ATOM 1160 CG2 THR A 73 3.486 23.065 10.622 1.00 12.30 C ATOM 0 H THR A 73 2.993 20.614 9.904 1.00 33.12 H new ATOM 0 HA THR A 73 4.945 21.428 7.909 1.00 4.52 H new ATOM 0 HB THR A 73 2.957 22.540 8.641 1.00 31.11 H new ATOM 0 HG1 THR A 73 3.982 24.669 8.780 1.00 21.34 H new ATOM 0 HG21 THR A 73 2.944 24.010 10.649 1.00 12.30 H new ATOM 0 HG22 THR A 73 2.848 22.270 11.008 1.00 12.30 H new ATOM 0 HG23 THR A 73 4.382 23.143 11.238 1.00 12.30 H new ATOM 1168 N GLN A 74 7.124 21.324 9.100 1.00 23.33 N ATOM 1169 CA GLN A 74 8.429 21.279 9.743 1.00 14.23 C ATOM 1170 C GLN A 74 9.254 22.488 9.333 1.00 15.51 C ATOM 1171 O GLN A 74 8.946 23.155 8.345 1.00 0.12 O ATOM 1172 CB GLN A 74 9.169 19.999 9.360 1.00 51.51 C ATOM 1173 CG GLN A 74 8.316 18.736 9.514 1.00 61.25 C ATOM 1174 CD GLN A 74 9.166 17.475 9.386 1.00 63.12 C ATOM 1175 OE1 GLN A 74 10.391 17.526 9.480 1.00 74.03 O ATOM 1176 NE2 GLN A 74 8.568 16.314 9.215 1.00 33.40 N ATOM 0 H GLN A 74 7.177 21.386 8.083 1.00 23.33 H new ATOM 0 HA GLN A 74 8.282 21.292 10.823 1.00 14.23 H new ATOM 0 HB2 GLN A 74 9.506 20.078 8.326 1.00 51.51 H new ATOM 0 HB3 GLN A 74 10.061 19.904 9.979 1.00 51.51 H new ATOM 0 HG2 GLN A 74 7.820 18.746 10.484 1.00 61.25 H new ATOM 0 HG3 GLN A 74 7.533 18.728 8.756 1.00 61.25 H new ATOM 0 HE21 GLN A 74 7.552 16.270 9.137 1.00 33.40 H new ATOM 0 HE22 GLN A 74 9.121 15.459 9.161 1.00 33.40 H new ATOM 1185 N GLU A 75 10.338 22.740 10.059 1.00 22.04 N ATOM 1186 CA GLU A 75 11.161 23.930 9.855 1.00 20.43 C ATOM 1187 C GLU A 75 12.524 23.565 9.293 1.00 34.23 C ATOM 1188 O GLU A 75 13.055 24.236 8.411 1.00 61.24 O ATOM 1189 CB GLU A 75 11.276 24.688 11.179 1.00 72.32 C ATOM 1190 CG GLU A 75 9.934 25.262 11.652 1.00 43.35 C ATOM 1191 CD GLU A 75 9.419 26.361 10.717 1.00 14.44 C ATOM 1192 OE1 GLU A 75 10.033 27.452 10.687 1.00 31.24 O ATOM 1193 OE2 GLU A 75 8.407 26.132 10.020 1.00 71.31 O ATOM 0 H GLU A 75 10.671 22.128 10.804 1.00 22.04 H new ATOM 0 HA GLU A 75 10.686 24.579 9.119 1.00 20.43 H new ATOM 0 HB2 GLU A 75 11.669 24.018 11.943 1.00 72.32 H new ATOM 0 HB3 GLU A 75 11.994 25.500 11.067 1.00 72.32 H new ATOM 0 HG2 GLU A 75 9.197 24.461 11.710 1.00 43.35 H new ATOM 0 HG3 GLU A 75 10.047 25.665 12.658 1.00 43.35 H new ATOM 1200 N GLU A 76 13.058 22.454 9.774 1.00 43.22 N ATOM 1201 CA GLU A 76 14.328 21.905 9.317 1.00 42.44 C ATOM 1202 C GLU A 76 14.156 21.057 8.045 1.00 43.21 C ATOM 1203 O GLU A 76 15.090 20.946 7.244 1.00 32.53 O ATOM 1204 CB GLU A 76 15.137 21.342 10.488 1.00 34.44 C ATOM 1205 CG GLU A 76 14.873 19.870 10.577 1.00 52.55 C ATOM 1206 CD GLU A 76 15.756 19.177 11.611 1.00 15.52 C ATOM 1207 OE1 GLU A 76 16.942 18.926 11.284 1.00 40.45 O ATOM 1208 OE2 GLU A 76 15.288 18.931 12.748 1.00 31.01 O ATOM 0 H GLU A 76 12.615 21.898 10.505 1.00 43.22 H new ATOM 0 HA GLU A 76 14.988 22.692 8.952 1.00 42.44 H new ATOM 0 HB2 GLU A 76 16.201 21.529 10.339 1.00 34.44 H new ATOM 0 HB3 GLU A 76 14.854 21.836 11.418 1.00 34.44 H new ATOM 0 HG2 GLU A 76 13.826 19.707 10.831 1.00 52.55 H new ATOM 0 HG3 GLU A 76 15.038 19.415 9.600 1.00 52.55 H new ATOM 1215 N GLY A 77 12.966 20.491 7.848 1.00 1.32 N ATOM 1216 CA GLY A 77 12.682 19.507 6.814 1.00 11.03 C ATOM 1217 C GLY A 77 11.841 20.112 5.702 1.00 3.03 C ATOM 1218 O GLY A 77 12.353 20.896 4.901 1.00 61.44 O ATOM 0 H GLY A 77 12.152 20.713 8.422 1.00 1.32 H new ATOM 0 HA2 GLY A 77 13.617 19.127 6.402 1.00 11.03 H new ATOM 0 HA3 GLY A 77 12.157 18.657 7.250 1.00 11.03 H new ATOM 1222 N GLY A 78 10.561 19.751 5.675 1.00 61.42 N ATOM 1223 CA GLY A 78 9.591 20.150 4.672 1.00 70.54 C ATOM 1224 C GLY A 78 8.182 19.951 5.212 1.00 41.13 C ATOM 1225 O GLY A 78 8.012 19.574 6.374 1.00 12.34 O ATOM 0 H GLY A 78 10.158 19.143 6.388 1.00 61.42 H new ATOM 0 HA2 GLY A 78 9.743 21.195 4.401 1.00 70.54 H new ATOM 0 HA3 GLY A 78 9.729 19.562 3.765 1.00 70.54 H new ATOM 1229 N ILE A 79 7.161 20.164 4.380 1.00 22.34 N ATOM 1230 CA ILE A 79 5.789 19.928 4.795 1.00 74.52 C ATOM 1231 C ILE A 79 5.464 18.475 4.523 1.00 61.54 C ATOM 1232 O ILE A 79 5.265 18.107 3.373 1.00 4.12 O ATOM 1233 CB ILE A 79 4.833 20.964 4.158 1.00 72.33 C ATOM 1234 CG1 ILE A 79 5.215 22.365 4.693 1.00 64.23 C ATOM 1235 CG2 ILE A 79 3.364 20.612 4.449 1.00 51.14 C ATOM 1236 CD1 ILE A 79 4.241 23.492 4.358 1.00 12.22 C ATOM 0 H ILE A 79 7.263 20.498 3.422 1.00 22.34 H new ATOM 0 HA ILE A 79 5.653 20.084 5.865 1.00 74.52 H new ATOM 0 HB ILE A 79 4.936 20.956 3.073 1.00 72.33 H new ATOM 0 HG12 ILE A 79 5.313 22.305 5.777 1.00 64.23 H new ATOM 0 HG13 ILE A 79 6.196 22.629 4.298 1.00 64.23 H new ATOM 0 HG21 ILE A 79 2.714 21.356 3.990 1.00 51.14 H new ATOM 0 HG22 ILE A 79 3.137 19.629 4.037 1.00 51.14 H new ATOM 0 HG23 ILE A 79 3.199 20.601 5.526 1.00 51.14 H new ATOM 0 HD11 ILE A 79 4.607 24.427 4.782 1.00 12.22 H new ATOM 0 HD12 ILE A 79 4.158 23.592 3.276 1.00 12.22 H new ATOM 0 HD13 ILE A 79 3.261 23.263 4.777 1.00 12.22 H new ATOM 1248 N TYR A 80 5.478 17.631 5.551 1.00 71.25 N ATOM 1249 CA TYR A 80 5.031 16.256 5.413 1.00 3.14 C ATOM 1250 C TYR A 80 3.504 16.274 5.343 1.00 43.23 C ATOM 1251 O TYR A 80 2.851 17.004 6.095 1.00 71.35 O ATOM 1252 CB TYR A 80 5.544 15.431 6.593 1.00 63.43 C ATOM 1253 CG TYR A 80 5.541 13.934 6.358 1.00 11.03 C ATOM 1254 CD1 TYR A 80 4.374 13.179 6.583 1.00 22.50 C ATOM 1255 CD2 TYR A 80 6.725 13.288 5.957 1.00 22.34 C ATOM 1256 CE1 TYR A 80 4.397 11.781 6.443 1.00 60.43 C ATOM 1257 CE2 TYR A 80 6.754 11.891 5.812 1.00 61.43 C ATOM 1258 CZ TYR A 80 5.590 11.128 6.060 1.00 31.20 C ATOM 1259 OH TYR A 80 5.614 9.772 5.945 1.00 72.34 O ATOM 0 H TYR A 80 5.795 17.879 6.488 1.00 71.25 H new ATOM 0 HA TYR A 80 5.423 15.794 4.507 1.00 3.14 H new ATOM 0 HB2 TYR A 80 6.560 15.748 6.828 1.00 63.43 H new ATOM 0 HB3 TYR A 80 4.932 15.651 7.468 1.00 63.43 H new ATOM 0 HD1 TYR A 80 3.458 13.676 6.864 1.00 22.50 H new ATOM 0 HD2 TYR A 80 7.614 13.868 5.760 1.00 22.34 H new ATOM 0 HE1 TYR A 80 3.502 11.205 6.628 1.00 60.43 H new ATOM 0 HE2 TYR A 80 7.667 11.399 5.511 1.00 61.43 H new ATOM 0 HH TYR A 80 6.510 9.483 5.672 1.00 72.34 H new ATOM 1269 N VAL A 81 2.921 15.471 4.464 1.00 41.13 N ATOM 1270 CA VAL A 81 1.492 15.385 4.203 1.00 62.41 C ATOM 1271 C VAL A 81 1.120 13.901 4.254 1.00 12.14 C ATOM 1272 O VAL A 81 1.961 13.023 4.049 1.00 64.34 O ATOM 1273 CB VAL A 81 1.184 16.047 2.833 1.00 41.41 C ATOM 1274 CG1 VAL A 81 -0.320 16.094 2.520 1.00 42.22 C ATOM 1275 CG2 VAL A 81 1.691 17.500 2.769 1.00 25.30 C ATOM 0 H VAL A 81 3.461 14.829 3.884 1.00 41.13 H new ATOM 0 HA VAL A 81 0.895 15.919 4.942 1.00 62.41 H new ATOM 0 HB VAL A 81 1.700 15.421 2.105 1.00 41.41 H new ATOM 0 HG11 VAL A 81 -0.475 16.567 1.550 1.00 42.22 H new ATOM 0 HG12 VAL A 81 -0.719 15.080 2.497 1.00 42.22 H new ATOM 0 HG13 VAL A 81 -0.834 16.668 3.290 1.00 42.22 H new ATOM 0 HG21 VAL A 81 1.455 17.925 1.794 1.00 25.30 H new ATOM 0 HG22 VAL A 81 1.207 18.089 3.548 1.00 25.30 H new ATOM 0 HG23 VAL A 81 2.770 17.516 2.920 1.00 25.30 H new ATOM 1285 N SER A 82 -0.136 13.592 4.555 1.00 14.33 N ATOM 1286 CA SER A 82 -0.735 12.281 4.380 1.00 1.31 C ATOM 1287 C SER A 82 -2.211 12.519 4.086 1.00 34.10 C ATOM 1288 O SER A 82 -2.977 12.750 5.020 1.00 25.40 O ATOM 1289 CB SER A 82 -0.527 11.427 5.642 1.00 44.44 C ATOM 1290 OG SER A 82 0.845 11.363 6.000 1.00 34.10 O ATOM 0 H SER A 82 -0.787 14.276 4.942 1.00 14.33 H new ATOM 0 HA SER A 82 -0.274 11.729 3.561 1.00 1.31 H new ATOM 0 HB2 SER A 82 -1.101 11.848 6.467 1.00 44.44 H new ATOM 0 HB3 SER A 82 -0.908 10.420 5.469 1.00 44.44 H new ATOM 0 HG SER A 82 0.948 10.815 6.806 1.00 34.10 H new ATOM 1296 N LYS A 83 -2.607 12.611 2.814 1.00 32.32 N ATOM 1297 CA LYS A 83 -3.976 12.926 2.406 1.00 64.35 C ATOM 1298 C LYS A 83 -4.327 12.226 1.088 1.00 62.55 C ATOM 1299 O LYS A 83 -3.500 11.573 0.454 1.00 54.31 O ATOM 1300 CB LYS A 83 -4.149 14.452 2.313 1.00 50.35 C ATOM 1301 CG LYS A 83 -4.202 15.125 3.692 1.00 22.34 C ATOM 1302 CD LYS A 83 -4.746 16.556 3.625 1.00 73.51 C ATOM 1303 CE LYS A 83 -3.612 17.565 3.414 1.00 71.25 C ATOM 1304 NZ LYS A 83 -4.119 18.853 2.900 1.00 42.15 N ATOM 0 H LYS A 83 -1.974 12.466 2.027 1.00 32.32 H new ATOM 0 HA LYS A 83 -4.672 12.552 3.157 1.00 64.35 H new ATOM 0 HB2 LYS A 83 -3.324 14.873 1.739 1.00 50.35 H new ATOM 0 HB3 LYS A 83 -5.065 14.678 1.767 1.00 50.35 H new ATOM 0 HG2 LYS A 83 -4.829 14.532 4.358 1.00 22.34 H new ATOM 0 HG3 LYS A 83 -3.202 15.140 4.124 1.00 22.34 H new ATOM 0 HD2 LYS A 83 -5.466 16.637 2.811 1.00 73.51 H new ATOM 0 HD3 LYS A 83 -5.279 16.790 4.547 1.00 73.51 H new ATOM 0 HE2 LYS A 83 -3.090 17.729 4.357 1.00 71.25 H new ATOM 0 HE3 LYS A 83 -2.884 17.154 2.714 1.00 71.25 H new ATOM 0 HZ1 LYS A 83 -3.325 19.511 2.769 1.00 42.15 H new ATOM 0 HZ2 LYS A 83 -4.595 18.700 1.988 1.00 42.15 H new ATOM 0 HZ3 LYS A 83 -4.795 19.256 3.580 1.00 42.15 H new ATOM 1318 N PHE A 84 -5.594 12.297 0.678 1.00 71.24 N ATOM 1319 CA PHE A 84 -6.031 11.739 -0.598 1.00 53.44 C ATOM 1320 C PHE A 84 -5.774 12.730 -1.731 1.00 74.43 C ATOM 1321 O PHE A 84 -6.010 13.929 -1.564 1.00 73.35 O ATOM 1322 CB PHE A 84 -7.509 11.343 -0.533 1.00 73.54 C ATOM 1323 CG PHE A 84 -8.495 12.468 -0.294 1.00 25.21 C ATOM 1324 CD1 PHE A 84 -8.860 12.821 1.019 1.00 3.32 C ATOM 1325 CD2 PHE A 84 -9.079 13.136 -1.388 1.00 12.22 C ATOM 1326 CE1 PHE A 84 -9.857 13.783 1.233 1.00 30.32 C ATOM 1327 CE2 PHE A 84 -10.038 14.139 -1.168 1.00 23.43 C ATOM 1328 CZ PHE A 84 -10.444 14.441 0.141 1.00 2.02 C ATOM 0 H PHE A 84 -6.339 12.739 1.217 1.00 71.24 H new ATOM 0 HA PHE A 84 -5.451 10.839 -0.802 1.00 53.44 H new ATOM 0 HB2 PHE A 84 -7.773 10.850 -1.469 1.00 73.54 H new ATOM 0 HB3 PHE A 84 -7.631 10.606 0.261 1.00 73.54 H new ATOM 0 HD1 PHE A 84 -8.372 12.351 1.860 1.00 3.32 H new ATOM 0 HD2 PHE A 84 -8.790 12.877 -2.396 1.00 12.22 H new ATOM 0 HE1 PHE A 84 -10.174 14.018 2.239 1.00 30.32 H new ATOM 0 HE2 PHE A 84 -10.461 14.676 -2.004 1.00 23.43 H new ATOM 0 HZ PHE A 84 -11.211 15.183 0.309 1.00 2.02 H new ATOM 1338 N THR A 85 -5.372 12.235 -2.902 1.00 2.10 N ATOM 1339 CA THR A 85 -5.203 13.056 -4.106 1.00 72.45 C ATOM 1340 C THR A 85 -6.259 12.725 -5.181 1.00 63.11 C ATOM 1341 O THR A 85 -6.372 13.441 -6.182 1.00 30.53 O ATOM 1342 CB THR A 85 -3.738 13.005 -4.581 1.00 70.14 C ATOM 1343 OG1 THR A 85 -3.517 13.903 -5.645 1.00 22.54 O ATOM 1344 CG2 THR A 85 -3.322 11.607 -5.028 1.00 30.43 C ATOM 0 H THR A 85 -5.153 11.249 -3.045 1.00 2.10 H new ATOM 0 HA THR A 85 -5.399 14.101 -3.867 1.00 72.45 H new ATOM 0 HB THR A 85 -3.132 13.291 -3.721 1.00 70.14 H new ATOM 0 HG1 THR A 85 -4.358 14.057 -6.123 1.00 22.54 H new ATOM 0 HG21 THR A 85 -2.282 11.624 -5.353 1.00 30.43 H new ATOM 0 HG22 THR A 85 -3.431 10.911 -4.196 1.00 30.43 H new ATOM 0 HG23 THR A 85 -3.956 11.286 -5.855 1.00 30.43 H new ATOM 1352 N LEU A 86 -7.099 11.700 -4.973 1.00 41.02 N ATOM 1353 CA LEU A 86 -8.210 11.390 -5.870 1.00 63.21 C ATOM 1354 C LEU A 86 -9.468 11.162 -5.047 1.00 10.03 C ATOM 1355 O LEU A 86 -9.418 10.534 -3.984 1.00 45.44 O ATOM 1356 CB LEU A 86 -7.877 10.162 -6.729 1.00 62.54 C ATOM 1357 CG LEU A 86 -8.743 10.054 -7.996 1.00 71.42 C ATOM 1358 CD1 LEU A 86 -8.183 10.935 -9.112 1.00 42.03 C ATOM 1359 CD2 LEU A 86 -8.809 8.610 -8.486 1.00 70.52 C ATOM 0 H LEU A 86 -7.023 11.066 -4.177 1.00 41.02 H new ATOM 0 HA LEU A 86 -8.380 12.228 -6.546 1.00 63.21 H new ATOM 0 HB2 LEU A 86 -6.827 10.203 -7.017 1.00 62.54 H new ATOM 0 HB3 LEU A 86 -8.008 9.261 -6.129 1.00 62.54 H new ATOM 0 HG LEU A 86 -9.746 10.393 -7.738 1.00 71.42 H new ATOM 0 HD11 LEU A 86 -8.811 10.843 -9.998 1.00 42.03 H new ATOM 0 HD12 LEU A 86 -8.170 11.974 -8.783 1.00 42.03 H new ATOM 0 HD13 LEU A 86 -7.168 10.617 -9.352 1.00 42.03 H new ATOM 0 HD21 LEU A 86 -9.427 8.558 -9.383 1.00 70.52 H new ATOM 0 HD22 LEU A 86 -7.804 8.258 -8.717 1.00 70.52 H new ATOM 0 HD23 LEU A 86 -9.244 7.982 -7.709 1.00 70.52 H new ATOM 1371 N ASN A 87 -10.599 11.653 -5.548 1.00 21.14 N ATOM 1372 CA ASN A 87 -11.913 11.592 -4.906 1.00 73.15 C ATOM 1373 C ASN A 87 -12.992 11.095 -5.878 1.00 14.03 C ATOM 1374 O ASN A 87 -14.179 11.301 -5.635 1.00 62.45 O ATOM 1375 CB ASN A 87 -12.272 12.956 -4.300 1.00 5.13 C ATOM 1376 CG ASN A 87 -12.518 14.016 -5.361 1.00 50.31 C ATOM 1377 OD1 ASN A 87 -13.627 14.162 -5.865 1.00 62.55 O ATOM 1378 ND2 ASN A 87 -11.510 14.782 -5.725 1.00 42.03 N ATOM 0 H ASN A 87 -10.628 12.125 -6.452 1.00 21.14 H new ATOM 0 HA ASN A 87 -11.866 10.865 -4.095 1.00 73.15 H new ATOM 0 HB2 ASN A 87 -13.163 12.852 -3.681 1.00 5.13 H new ATOM 0 HB3 ASN A 87 -11.465 13.283 -3.644 1.00 5.13 H new ATOM 0 HD21 ASN A 87 -11.648 15.504 -6.432 1.00 42.03 H new ATOM 0 HD22 ASN A 87 -10.592 14.653 -5.300 1.00 42.03 H new ATOM 1385 N GLU A 88 -12.585 10.432 -6.961 1.00 10.21 N ATOM 1386 CA GLU A 88 -13.418 9.863 -8.020 1.00 44.05 C ATOM 1387 C GLU A 88 -14.534 8.953 -7.489 1.00 1.40 C ATOM 1388 O GLU A 88 -14.474 8.491 -6.344 1.00 65.43 O ATOM 1389 CB GLU A 88 -12.474 9.072 -8.947 1.00 71.22 C ATOM 1390 CG GLU A 88 -11.896 9.957 -10.063 1.00 42.33 C ATOM 1391 CD GLU A 88 -12.359 9.650 -11.488 1.00 25.20 C ATOM 1392 OE1 GLU A 88 -13.063 8.648 -11.736 1.00 71.52 O ATOM 1393 OE2 GLU A 88 -11.912 10.380 -12.397 1.00 21.41 O ATOM 0 H GLU A 88 -11.593 10.267 -7.133 1.00 10.21 H new ATOM 0 HA GLU A 88 -13.929 10.669 -8.547 1.00 44.05 H new ATOM 0 HB2 GLU A 88 -11.659 8.649 -8.360 1.00 71.22 H new ATOM 0 HB3 GLU A 88 -13.016 8.236 -9.390 1.00 71.22 H new ATOM 0 HG2 GLU A 88 -12.146 10.994 -9.839 1.00 42.33 H new ATOM 0 HG3 GLU A 88 -10.809 9.877 -10.033 1.00 42.33 H new ATOM 1400 N PRO A 89 -15.528 8.631 -8.332 1.00 14.14 N ATOM 1401 CA PRO A 89 -16.630 7.738 -8.003 1.00 13.02 C ATOM 1402 C PRO A 89 -16.128 6.368 -7.546 1.00 14.34 C ATOM 1403 O PRO A 89 -16.454 5.940 -6.442 1.00 10.30 O ATOM 1404 CB PRO A 89 -17.478 7.646 -9.282 1.00 52.05 C ATOM 1405 CG PRO A 89 -16.544 8.105 -10.396 1.00 41.34 C ATOM 1406 CD PRO A 89 -15.692 9.136 -9.682 1.00 53.13 C ATOM 0 HA PRO A 89 -17.218 8.116 -7.166 1.00 13.02 H new ATOM 0 HB2 PRO A 89 -17.829 6.628 -9.453 1.00 52.05 H new ATOM 0 HB3 PRO A 89 -18.362 8.281 -9.218 1.00 52.05 H new ATOM 0 HG2 PRO A 89 -15.946 7.284 -10.792 1.00 41.34 H new ATOM 0 HG3 PRO A 89 -17.090 8.536 -11.235 1.00 41.34 H new ATOM 0 HD2 PRO A 89 -14.728 9.259 -10.175 1.00 53.13 H new ATOM 0 HD3 PRO A 89 -16.176 10.113 -9.680 1.00 53.13 H new ATOM 1414 N LYS A 90 -15.313 5.687 -8.355 1.00 11.14 N ATOM 1415 CA LYS A 90 -14.966 4.276 -8.146 1.00 12.23 C ATOM 1416 C LYS A 90 -13.453 4.037 -8.004 1.00 50.11 C ATOM 1417 O LYS A 90 -13.033 2.910 -7.770 1.00 3.12 O ATOM 1418 CB LYS A 90 -15.594 3.433 -9.272 1.00 24.51 C ATOM 1419 CG LYS A 90 -16.840 2.628 -8.872 1.00 45.21 C ATOM 1420 CD LYS A 90 -18.134 3.432 -8.686 1.00 63.41 C ATOM 1421 CE LYS A 90 -18.498 3.622 -7.211 1.00 65.15 C ATOM 1422 NZ LYS A 90 -19.814 4.283 -7.033 1.00 10.32 N ATOM 0 H LYS A 90 -14.872 6.099 -9.178 1.00 11.14 H new ATOM 0 HA LYS A 90 -15.382 3.959 -7.189 1.00 12.23 H new ATOM 0 HB2 LYS A 90 -15.859 4.096 -10.095 1.00 24.51 H new ATOM 0 HB3 LYS A 90 -14.841 2.742 -9.649 1.00 24.51 H new ATOM 0 HG2 LYS A 90 -17.015 1.867 -9.633 1.00 45.21 H new ATOM 0 HG3 LYS A 90 -16.625 2.104 -7.941 1.00 45.21 H new ATOM 0 HD2 LYS A 90 -18.023 4.408 -9.158 1.00 63.41 H new ATOM 0 HD3 LYS A 90 -18.951 2.922 -9.196 1.00 63.41 H new ATOM 0 HE2 LYS A 90 -18.512 2.651 -6.715 1.00 65.15 H new ATOM 0 HE3 LYS A 90 -17.726 4.218 -6.723 1.00 65.15 H new ATOM 0 HZ1 LYS A 90 -20.015 4.389 -6.018 1.00 10.32 H new ATOM 0 HZ2 LYS A 90 -19.795 5.221 -7.482 1.00 10.32 H new ATOM 0 HZ3 LYS A 90 -20.556 3.703 -7.474 1.00 10.32 H new ATOM 1436 N HIS A 91 -12.634 5.086 -8.085 1.00 32.43 N ATOM 1437 CA HIS A 91 -11.176 5.034 -8.056 1.00 13.30 C ATOM 1438 C HIS A 91 -10.767 5.871 -6.845 1.00 13.42 C ATOM 1439 O HIS A 91 -11.387 6.906 -6.578 1.00 64.21 O ATOM 1440 CB HIS A 91 -10.688 5.579 -9.407 1.00 5.11 C ATOM 1441 CG HIS A 91 -9.227 5.428 -9.755 1.00 43.43 C ATOM 1442 ND1 HIS A 91 -8.697 5.803 -10.967 1.00 71.43 N ATOM 1443 CD2 HIS A 91 -8.212 4.861 -9.026 1.00 52.12 C ATOM 1444 CE1 HIS A 91 -7.402 5.469 -10.977 1.00 51.14 C ATOM 1445 NE2 HIS A 91 -7.054 4.906 -9.808 1.00 34.20 N ATOM 0 H HIS A 91 -12.988 6.038 -8.177 1.00 32.43 H new ATOM 0 HA HIS A 91 -10.738 4.042 -7.943 1.00 13.30 H new ATOM 0 HB2 HIS A 91 -11.268 5.092 -10.191 1.00 5.11 H new ATOM 0 HB3 HIS A 91 -10.930 6.641 -9.444 1.00 5.11 H new ATOM 0 HD2 HIS A 91 -8.293 4.454 -8.029 1.00 52.12 H new ATOM 0 HE1 HIS A 91 -6.731 5.629 -11.808 1.00 51.14 H new ATOM 0 HE2 HIS A 91 -6.126 4.576 -9.543 1.00 34.20 H new ATOM 1453 N LYS A 92 -9.800 5.431 -6.041 1.00 13.33 N ATOM 1454 CA LYS A 92 -9.458 6.073 -4.770 1.00 70.12 C ATOM 1455 C LYS A 92 -7.940 6.017 -4.606 1.00 43.44 C ATOM 1456 O LYS A 92 -7.360 4.970 -4.871 1.00 22.24 O ATOM 1457 CB LYS A 92 -10.193 5.312 -3.649 1.00 13.10 C ATOM 1458 CG LYS A 92 -10.211 6.029 -2.291 1.00 72.11 C ATOM 1459 CD LYS A 92 -11.468 6.874 -2.015 1.00 54.12 C ATOM 1460 CE LYS A 92 -11.389 8.275 -2.630 1.00 2.33 C ATOM 1461 NZ LYS A 92 -10.564 9.197 -1.817 1.00 50.23 N ATOM 0 H LYS A 92 -9.228 4.614 -6.253 1.00 13.33 H new ATOM 0 HA LYS A 92 -9.764 7.119 -4.734 1.00 70.12 H new ATOM 0 HB2 LYS A 92 -11.221 5.133 -3.964 1.00 13.10 H new ATOM 0 HB3 LYS A 92 -9.724 4.336 -3.523 1.00 13.10 H new ATOM 0 HG2 LYS A 92 -10.113 5.283 -1.502 1.00 72.11 H new ATOM 0 HG3 LYS A 92 -9.336 6.676 -2.228 1.00 72.11 H new ATOM 0 HD2 LYS A 92 -12.342 6.357 -2.411 1.00 54.12 H new ATOM 0 HD3 LYS A 92 -11.611 6.963 -0.938 1.00 54.12 H new ATOM 0 HE2 LYS A 92 -10.971 8.206 -3.634 1.00 2.33 H new ATOM 0 HE3 LYS A 92 -12.395 8.683 -2.731 1.00 2.33 H new ATOM 0 HZ1 LYS A 92 -10.013 9.816 -2.446 1.00 50.23 H new ATOM 0 HZ2 LYS A 92 -11.183 9.777 -1.215 1.00 50.23 H new ATOM 0 HZ3 LYS A 92 -9.916 8.647 -1.218 1.00 50.23 H new ATOM 1475 N ILE A 93 -7.289 7.119 -4.214 1.00 71.52 N ATOM 1476 CA ILE A 93 -5.827 7.248 -4.192 1.00 70.15 C ATOM 1477 C ILE A 93 -5.461 8.008 -2.923 1.00 34.21 C ATOM 1478 O ILE A 93 -6.002 9.100 -2.694 1.00 5.04 O ATOM 1479 CB ILE A 93 -5.335 7.984 -5.465 1.00 31.12 C ATOM 1480 CG1 ILE A 93 -5.805 7.220 -6.728 1.00 14.31 C ATOM 1481 CG2 ILE A 93 -3.819 8.272 -5.458 1.00 53.13 C ATOM 1482 CD1 ILE A 93 -5.280 7.749 -8.057 1.00 34.53 C ATOM 0 H ILE A 93 -7.772 7.960 -3.898 1.00 71.52 H new ATOM 0 HA ILE A 93 -5.343 6.271 -4.188 1.00 70.15 H new ATOM 0 HB ILE A 93 -5.793 8.973 -5.478 1.00 31.12 H new ATOM 0 HG12 ILE A 93 -5.506 6.176 -6.630 1.00 14.31 H new ATOM 0 HG13 ILE A 93 -6.894 7.238 -6.756 1.00 14.31 H new ATOM 0 HG21 ILE A 93 -3.542 8.788 -6.377 1.00 53.13 H new ATOM 0 HG22 ILE A 93 -3.572 8.899 -4.601 1.00 53.13 H new ATOM 0 HG23 ILE A 93 -3.270 7.332 -5.391 1.00 53.13 H new ATOM 0 HD11 ILE A 93 -5.672 7.140 -8.871 1.00 34.53 H new ATOM 0 HD12 ILE A 93 -5.601 8.782 -8.190 1.00 34.53 H new ATOM 0 HD13 ILE A 93 -4.191 7.704 -8.062 1.00 34.53 H new ATOM 1494 N PHE A 94 -4.582 7.452 -2.089 1.00 53.13 N ATOM 1495 CA PHE A 94 -4.096 8.066 -0.869 1.00 12.11 C ATOM 1496 C PHE A 94 -2.573 8.109 -0.947 1.00 25.30 C ATOM 1497 O PHE A 94 -1.931 7.176 -1.438 1.00 13.22 O ATOM 1498 CB PHE A 94 -4.654 7.306 0.341 1.00 44.42 C ATOM 1499 CG PHE A 94 -4.155 7.820 1.671 1.00 41.04 C ATOM 1500 CD1 PHE A 94 -4.635 9.033 2.189 1.00 12.22 C ATOM 1501 CD2 PHE A 94 -3.198 7.088 2.387 1.00 33.22 C ATOM 1502 CE1 PHE A 94 -4.146 9.515 3.413 1.00 5.14 C ATOM 1503 CE2 PHE A 94 -2.674 7.592 3.588 1.00 4.04 C ATOM 1504 CZ PHE A 94 -3.158 8.801 4.110 1.00 11.03 C ATOM 0 H PHE A 94 -4.179 6.530 -2.257 1.00 53.13 H new ATOM 0 HA PHE A 94 -4.441 9.093 -0.749 1.00 12.11 H new ATOM 0 HB2 PHE A 94 -5.742 7.366 0.325 1.00 44.42 H new ATOM 0 HB3 PHE A 94 -4.391 6.252 0.248 1.00 44.42 H new ATOM 0 HD1 PHE A 94 -5.380 9.595 1.646 1.00 12.22 H new ATOM 0 HD2 PHE A 94 -2.862 6.132 2.013 1.00 33.22 H new ATOM 0 HE1 PHE A 94 -4.531 10.438 3.820 1.00 5.14 H new ATOM 0 HE2 PHE A 94 -1.899 7.050 4.109 1.00 4.04 H new ATOM 0 HZ PHE A 94 -2.772 9.181 5.044 1.00 11.03 H new ATOM 1514 N GLU A 95 -2.000 9.237 -0.546 1.00 10.20 N ATOM 1515 CA GLU A 95 -0.590 9.544 -0.700 1.00 64.35 C ATOM 1516 C GLU A 95 -0.059 10.204 0.565 1.00 51.01 C ATOM 1517 O GLU A 95 -0.822 10.810 1.326 1.00 63.45 O ATOM 1518 CB GLU A 95 -0.391 10.391 -1.965 1.00 5.41 C ATOM 1519 CG GLU A 95 -1.315 11.615 -2.212 1.00 23.33 C ATOM 1520 CD GLU A 95 -1.171 12.870 -1.333 1.00 22.20 C ATOM 1521 OE1 GLU A 95 -0.100 13.083 -0.732 1.00 70.24 O ATOM 1522 OE2 GLU A 95 -2.106 13.717 -1.370 1.00 64.54 O ATOM 0 H GLU A 95 -2.523 9.985 -0.091 1.00 10.20 H new ATOM 0 HA GLU A 95 -0.008 8.632 -0.833 1.00 64.35 H new ATOM 0 HB2 GLU A 95 0.637 10.752 -1.959 1.00 5.41 H new ATOM 0 HB3 GLU A 95 -0.490 9.727 -2.823 1.00 5.41 H new ATOM 0 HG2 GLU A 95 -1.175 11.925 -3.247 1.00 23.33 H new ATOM 0 HG3 GLU A 95 -2.345 11.269 -2.120 1.00 23.33 H new ATOM 1529 N ALA A 96 1.241 10.039 0.813 1.00 12.01 N ATOM 1530 CA ALA A 96 1.904 10.673 1.933 1.00 1.01 C ATOM 1531 C ALA A 96 3.408 10.788 1.695 1.00 10.20 C ATOM 1532 O ALA A 96 4.011 9.968 0.996 1.00 25.24 O ATOM 1533 CB ALA A 96 1.639 9.843 3.191 1.00 41.43 C ATOM 0 H ALA A 96 1.855 9.461 0.239 1.00 12.01 H new ATOM 0 HA ALA A 96 1.510 11.682 2.053 1.00 1.01 H new ATOM 0 HB1 ALA A 96 2.132 10.308 4.044 1.00 41.43 H new ATOM 0 HB2 ALA A 96 0.566 9.794 3.375 1.00 41.43 H new ATOM 0 HB3 ALA A 96 2.030 8.835 3.051 1.00 41.43 H new ATOM 1539 N GLY A 97 4.017 11.775 2.348 1.00 21.42 N ATOM 1540 CA GLY A 97 5.415 12.168 2.217 1.00 51.45 C ATOM 1541 C GLY A 97 5.502 13.686 2.103 1.00 61.13 C ATOM 1542 O GLY A 97 4.554 14.383 2.466 1.00 73.33 O ATOM 0 H GLY A 97 3.517 12.355 3.022 1.00 21.42 H new ATOM 0 HA2 GLY A 97 5.984 11.823 3.080 1.00 51.45 H new ATOM 0 HA3 GLY A 97 5.856 11.700 1.337 1.00 51.45 H new ATOM 1546 N TYR A 98 6.628 14.231 1.642 1.00 71.55 N ATOM 1547 CA TYR A 98 6.849 15.670 1.666 1.00 64.12 C ATOM 1548 C TYR A 98 6.172 16.371 0.494 1.00 74.51 C ATOM 1549 O TYR A 98 6.140 15.840 -0.618 1.00 13.04 O ATOM 1550 CB TYR A 98 8.352 15.943 1.678 1.00 45.12 C ATOM 1551 CG TYR A 98 8.945 15.831 3.064 1.00 61.52 C ATOM 1552 CD1 TYR A 98 8.516 16.727 4.055 1.00 34.33 C ATOM 1553 CD2 TYR A 98 9.878 14.829 3.383 1.00 24.41 C ATOM 1554 CE1 TYR A 98 8.986 16.620 5.370 1.00 31.52 C ATOM 1555 CE2 TYR A 98 10.392 14.741 4.688 1.00 1.23 C ATOM 1556 CZ TYR A 98 9.944 15.634 5.688 1.00 41.05 C ATOM 1557 OH TYR A 98 10.411 15.540 6.957 1.00 13.32 O ATOM 0 H TYR A 98 7.400 13.693 1.248 1.00 71.55 H new ATOM 0 HA TYR A 98 6.398 16.077 2.571 1.00 64.12 H new ATOM 0 HB2 TYR A 98 8.852 15.239 1.013 1.00 45.12 H new ATOM 0 HB3 TYR A 98 8.541 16.942 1.284 1.00 45.12 H new ATOM 0 HD1 TYR A 98 7.815 17.508 3.801 1.00 34.33 H new ATOM 0 HD2 TYR A 98 10.199 14.128 2.627 1.00 24.41 H new ATOM 0 HE1 TYR A 98 8.618 17.287 6.135 1.00 31.52 H new ATOM 0 HE2 TYR A 98 11.130 13.990 4.927 1.00 1.23 H new ATOM 0 HH TYR A 98 11.063 14.811 7.012 1.00 13.32 H new ATOM 1567 N GLU A 99 5.679 17.590 0.724 1.00 41.23 N ATOM 1568 CA GLU A 99 4.928 18.369 -0.262 1.00 32.50 C ATOM 1569 C GLU A 99 5.810 18.733 -1.469 1.00 12.10 C ATOM 1570 O GLU A 99 5.318 18.905 -2.584 1.00 43.13 O ATOM 1571 CB GLU A 99 4.350 19.637 0.411 1.00 33.30 C ATOM 1572 CG GLU A 99 3.132 20.158 -0.365 1.00 12.24 C ATOM 1573 CD GLU A 99 2.594 21.527 0.073 1.00 12.31 C ATOM 1574 OE1 GLU A 99 3.360 22.511 0.207 1.00 30.13 O ATOM 1575 OE2 GLU A 99 1.349 21.657 0.198 1.00 72.52 O ATOM 0 H GLU A 99 5.793 18.071 1.616 1.00 41.23 H new ATOM 0 HA GLU A 99 4.103 17.763 -0.637 1.00 32.50 H new ATOM 0 HB2 GLU A 99 4.063 19.411 1.438 1.00 33.30 H new ATOM 0 HB3 GLU A 99 5.116 20.411 0.457 1.00 33.30 H new ATOM 0 HG2 GLU A 99 3.395 20.214 -1.421 1.00 12.24 H new ATOM 0 HG3 GLU A 99 2.328 19.427 -0.275 1.00 12.24 H new ATOM 1582 N GLU A 100 7.123 18.838 -1.254 1.00 63.31 N ATOM 1583 CA GLU A 100 8.098 19.360 -2.211 1.00 2.44 C ATOM 1584 C GLU A 100 9.291 18.395 -2.339 1.00 50.05 C ATOM 1585 O GLU A 100 10.373 18.770 -2.788 1.00 72.13 O ATOM 1586 CB GLU A 100 8.490 20.795 -1.795 1.00 52.41 C ATOM 1587 CG GLU A 100 7.298 21.762 -1.929 1.00 61.25 C ATOM 1588 CD GLU A 100 7.623 23.181 -1.462 1.00 12.20 C ATOM 1589 OE1 GLU A 100 7.488 23.452 -0.248 1.00 63.11 O ATOM 1590 OE2 GLU A 100 7.930 24.044 -2.317 1.00 65.42 O ATOM 0 H GLU A 100 7.552 18.550 -0.374 1.00 63.31 H new ATOM 0 HA GLU A 100 7.668 19.425 -3.210 1.00 2.44 H new ATOM 0 HB2 GLU A 100 8.845 20.793 -0.765 1.00 52.41 H new ATOM 0 HB3 GLU A 100 9.315 21.143 -2.416 1.00 52.41 H new ATOM 0 HG2 GLU A 100 6.978 21.793 -2.970 1.00 61.25 H new ATOM 0 HG3 GLU A 100 6.459 21.378 -1.349 1.00 61.25 H new ATOM 1597 N SER A 101 9.124 17.131 -1.943 1.00 53.05 N ATOM 1598 CA SER A 101 10.128 16.073 -2.034 1.00 63.34 C ATOM 1599 C SER A 101 9.424 14.731 -2.306 1.00 23.44 C ATOM 1600 O SER A 101 8.317 14.748 -2.851 1.00 71.35 O ATOM 1601 CB SER A 101 11.015 16.135 -0.785 1.00 43.21 C ATOM 1602 OG SER A 101 11.935 17.202 -0.919 1.00 65.25 O ATOM 0 H SER A 101 8.248 16.805 -1.533 1.00 53.05 H new ATOM 0 HA SER A 101 10.808 16.202 -2.876 1.00 63.34 H new ATOM 0 HB2 SER A 101 10.401 16.278 0.104 1.00 43.21 H new ATOM 0 HB3 SER A 101 11.548 15.193 -0.656 1.00 43.21 H new ATOM 0 HG SER A 101 11.613 17.828 -1.600 1.00 65.25 H new ATOM 1608 N GLU A 102 10.087 13.590 -2.096 1.00 31.20 N ATOM 1609 CA GLU A 102 9.548 12.265 -2.406 1.00 25.30 C ATOM 1610 C GLU A 102 8.367 11.893 -1.493 1.00 25.53 C ATOM 1611 O GLU A 102 8.139 12.501 -0.440 1.00 1.30 O ATOM 1612 CB GLU A 102 10.672 11.218 -2.345 1.00 42.13 C ATOM 1613 CG GLU A 102 10.945 10.471 -3.661 1.00 25.53 C ATOM 1614 CD GLU A 102 9.923 9.371 -3.964 1.00 73.21 C ATOM 1615 OE1 GLU A 102 8.841 9.701 -4.494 1.00 42.02 O ATOM 1616 OE2 GLU A 102 10.190 8.180 -3.662 1.00 33.10 O ATOM 0 H GLU A 102 11.027 13.562 -1.700 1.00 31.20 H new ATOM 0 HA GLU A 102 9.150 12.286 -3.420 1.00 25.30 H new ATOM 0 HB2 GLU A 102 11.591 11.713 -2.030 1.00 42.13 H new ATOM 0 HB3 GLU A 102 10.424 10.487 -1.576 1.00 42.13 H new ATOM 0 HG2 GLU A 102 10.949 11.188 -4.482 1.00 25.53 H new ATOM 0 HG3 GLU A 102 11.940 10.029 -3.619 1.00 25.53 H new ATOM 1623 N VAL A 103 7.638 10.850 -1.896 1.00 53.34 N ATOM 1624 CA VAL A 103 6.618 10.197 -1.085 1.00 14.02 C ATOM 1625 C VAL A 103 7.245 9.089 -0.232 1.00 2.20 C ATOM 1626 O VAL A 103 8.297 8.550 -0.579 1.00 44.05 O ATOM 1627 CB VAL A 103 5.485 9.654 -1.978 1.00 72.45 C ATOM 1628 CG1 VAL A 103 4.557 10.799 -2.394 1.00 61.33 C ATOM 1629 CG2 VAL A 103 5.982 8.927 -3.235 1.00 42.11 C ATOM 0 H VAL A 103 7.746 10.429 -2.819 1.00 53.34 H new ATOM 0 HA VAL A 103 6.181 10.931 -0.408 1.00 14.02 H new ATOM 0 HB VAL A 103 4.952 8.917 -1.377 1.00 72.45 H new ATOM 0 HG11 VAL A 103 3.758 10.409 -3.025 1.00 61.33 H new ATOM 0 HG12 VAL A 103 4.125 11.259 -1.505 1.00 61.33 H new ATOM 0 HG13 VAL A 103 5.126 11.545 -2.949 1.00 61.33 H new ATOM 0 HG21 VAL A 103 5.128 8.574 -3.813 1.00 42.11 H new ATOM 0 HG22 VAL A 103 6.572 9.613 -3.843 1.00 42.11 H new ATOM 0 HG23 VAL A 103 6.600 8.077 -2.944 1.00 42.11 H new ATOM 1639 N ASP A 104 6.562 8.698 0.843 1.00 5.02 N ATOM 1640 CA ASP A 104 6.859 7.514 1.660 1.00 71.52 C ATOM 1641 C ASP A 104 5.831 6.414 1.381 1.00 65.42 C ATOM 1642 O ASP A 104 6.106 5.235 1.585 1.00 25.51 O ATOM 1643 CB ASP A 104 6.802 7.895 3.152 1.00 65.51 C ATOM 1644 CG ASP A 104 7.849 7.202 4.031 1.00 35.22 C ATOM 1645 OD1 ASP A 104 7.788 5.975 4.268 1.00 51.45 O ATOM 1646 OD2 ASP A 104 8.711 7.921 4.585 1.00 2.01 O ATOM 0 H ASP A 104 5.753 9.216 1.186 1.00 5.02 H new ATOM 0 HA ASP A 104 7.854 7.148 1.409 1.00 71.52 H new ATOM 0 HB2 ASP A 104 6.928 8.974 3.242 1.00 65.51 H new ATOM 0 HB3 ASP A 104 5.810 7.657 3.536 1.00 65.51 H new ATOM 1651 N LEU A 105 4.641 6.787 0.896 1.00 14.30 N ATOM 1652 CA LEU A 105 3.492 5.904 0.748 1.00 72.22 C ATOM 1653 C LEU A 105 2.663 6.379 -0.441 1.00 41.24 C ATOM 1654 O LEU A 105 2.377 7.571 -0.591 1.00 12.34 O ATOM 1655 CB LEU A 105 2.696 5.899 2.071 1.00 44.03 C ATOM 1656 CG LEU A 105 1.290 5.260 2.060 1.00 44.13 C ATOM 1657 CD1 LEU A 105 0.212 6.195 1.512 1.00 70.31 C ATOM 1658 CD2 LEU A 105 1.317 3.849 1.475 1.00 45.12 C ATOM 0 H LEU A 105 4.452 7.741 0.588 1.00 14.30 H new ATOM 0 HA LEU A 105 3.796 4.877 0.547 1.00 72.22 H new ATOM 0 HB2 LEU A 105 3.294 5.381 2.820 1.00 44.03 H new ATOM 0 HB3 LEU A 105 2.593 6.932 2.404 1.00 44.03 H new ATOM 0 HG LEU A 105 0.976 5.117 3.094 1.00 44.13 H new ATOM 0 HD11 LEU A 105 -0.753 5.688 1.530 1.00 70.31 H new ATOM 0 HD12 LEU A 105 0.162 7.093 2.128 1.00 70.31 H new ATOM 0 HD13 LEU A 105 0.457 6.471 0.487 1.00 70.31 H new ATOM 0 HD21 LEU A 105 0.310 3.432 1.484 1.00 45.12 H new ATOM 0 HD22 LEU A 105 1.685 3.887 0.450 1.00 45.12 H new ATOM 0 HD23 LEU A 105 1.976 3.220 2.073 1.00 45.12 H new ATOM 1670 N ARG A 106 2.265 5.434 -1.294 1.00 34.33 N ATOM 1671 CA ARG A 106 1.247 5.603 -2.326 1.00 70.54 C ATOM 1672 C ARG A 106 0.405 4.328 -2.308 1.00 70.14 C ATOM 1673 O ARG A 106 0.935 3.218 -2.368 1.00 70.42 O ATOM 1674 CB ARG A 106 1.861 5.799 -3.723 1.00 62.41 C ATOM 1675 CG ARG A 106 2.800 7.001 -3.841 1.00 65.15 C ATOM 1676 CD ARG A 106 2.032 8.331 -3.822 1.00 44.31 C ATOM 1677 NE ARG A 106 2.095 8.999 -5.133 1.00 11.00 N ATOM 1678 CZ ARG A 106 2.006 10.308 -5.391 1.00 4.00 C ATOM 1679 NH1 ARG A 106 1.785 11.181 -4.418 1.00 12.32 N ATOM 1680 NH2 ARG A 106 2.134 10.742 -6.636 1.00 43.44 N ATOM 0 H ARG A 106 2.660 4.494 -1.282 1.00 34.33 H new ATOM 0 HA ARG A 106 0.655 6.495 -2.121 1.00 70.54 H new ATOM 0 HB2 ARG A 106 2.410 4.897 -3.994 1.00 62.41 H new ATOM 0 HB3 ARG A 106 1.055 5.912 -4.448 1.00 62.41 H new ATOM 0 HG2 ARG A 106 3.517 6.984 -3.020 1.00 65.15 H new ATOM 0 HG3 ARG A 106 3.372 6.925 -4.766 1.00 65.15 H new ATOM 0 HD2 ARG A 106 0.992 8.150 -3.553 1.00 44.31 H new ATOM 0 HD3 ARG A 106 2.450 8.985 -3.057 1.00 44.31 H new ATOM 0 HE ARG A 106 2.222 8.390 -5.941 1.00 11.00 H new ATOM 0 HH11 ARG A 106 1.680 10.857 -3.456 1.00 12.32 H new ATOM 0 HH12 ARG A 106 1.720 12.176 -4.631 1.00 12.32 H new ATOM 0 HH21 ARG A 106 2.300 10.079 -7.393 1.00 43.44 H new ATOM 0 HH22 ARG A 106 2.067 11.740 -6.838 1.00 43.44 H new ATOM 1694 N VAL A 107 -0.899 4.476 -2.158 1.00 51.45 N ATOM 1695 CA VAL A 107 -1.902 3.416 -2.125 1.00 2.44 C ATOM 1696 C VAL A 107 -3.112 3.822 -2.932 1.00 14.03 C ATOM 1697 O VAL A 107 -3.599 4.948 -2.835 1.00 65.11 O ATOM 1698 CB VAL A 107 -2.199 2.930 -0.696 1.00 43.41 C ATOM 1699 CG1 VAL A 107 -2.256 4.095 0.273 1.00 62.12 C ATOM 1700 CG2 VAL A 107 -3.535 2.225 -0.609 1.00 62.25 C ATOM 0 H VAL A 107 -1.318 5.400 -2.048 1.00 51.45 H new ATOM 0 HA VAL A 107 -1.500 2.527 -2.612 1.00 2.44 H new ATOM 0 HB VAL A 107 -1.392 2.244 -0.438 1.00 43.41 H new ATOM 0 HG11 VAL A 107 -2.467 3.724 1.276 1.00 62.12 H new ATOM 0 HG12 VAL A 107 -1.298 4.615 0.273 1.00 62.12 H new ATOM 0 HG13 VAL A 107 -3.043 4.784 -0.032 1.00 62.12 H new ATOM 0 HG21 VAL A 107 -3.707 1.897 0.416 1.00 62.25 H new ATOM 0 HG22 VAL A 107 -4.328 2.910 -0.909 1.00 62.25 H new ATOM 0 HG23 VAL A 107 -3.533 1.359 -1.271 1.00 62.25 H new ATOM 1710 N GLU A 108 -3.630 2.885 -3.715 1.00 44.14 N ATOM 1711 CA GLU A 108 -4.732 3.135 -4.613 1.00 25.12 C ATOM 1712 C GLU A 108 -5.632 1.924 -4.624 1.00 63.42 C ATOM 1713 O GLU A 108 -5.177 0.805 -4.375 1.00 32.52 O ATOM 1714 CB GLU A 108 -4.212 3.400 -6.019 1.00 14.24 C ATOM 1715 CG GLU A 108 -3.286 4.612 -6.056 1.00 71.54 C ATOM 1716 CD GLU A 108 -2.928 5.059 -7.467 1.00 34.53 C ATOM 1717 OE1 GLU A 108 -3.437 4.480 -8.450 1.00 24.50 O ATOM 1718 OE2 GLU A 108 -2.110 5.998 -7.576 1.00 51.32 O ATOM 0 H GLU A 108 -3.289 1.924 -3.739 1.00 44.14 H new ATOM 0 HA GLU A 108 -5.287 4.010 -4.276 1.00 25.12 H new ATOM 0 HB2 GLU A 108 -3.678 2.522 -6.381 1.00 14.24 H new ATOM 0 HB3 GLU A 108 -5.052 3.563 -6.694 1.00 14.24 H new ATOM 0 HG2 GLU A 108 -3.763 5.440 -5.531 1.00 71.54 H new ATOM 0 HG3 GLU A 108 -2.370 4.376 -5.514 1.00 71.54 H new ATOM 1725 N PHE A 109 -6.903 2.155 -4.921 1.00 22.50 N ATOM 1726 CA PHE A 109 -7.937 1.152 -4.989 1.00 22.40 C ATOM 1727 C PHE A 109 -8.794 1.487 -6.200 1.00 23.44 C ATOM 1728 O PHE A 109 -9.135 2.652 -6.423 1.00 72.32 O ATOM 1729 CB PHE A 109 -8.767 1.147 -3.695 1.00 74.32 C ATOM 1730 CG PHE A 109 -8.092 0.484 -2.506 1.00 42.05 C ATOM 1731 CD1 PHE A 109 -6.992 1.092 -1.864 1.00 45.45 C ATOM 1732 CD2 PHE A 109 -8.559 -0.763 -2.050 1.00 33.22 C ATOM 1733 CE1 PHE A 109 -6.321 0.431 -0.822 1.00 31.13 C ATOM 1734 CE2 PHE A 109 -7.934 -1.391 -0.961 1.00 61.21 C ATOM 1735 CZ PHE A 109 -6.819 -0.791 -0.354 1.00 45.02 C ATOM 0 H PHE A 109 -7.249 3.092 -5.129 1.00 22.50 H new ATOM 0 HA PHE A 109 -7.514 0.153 -5.090 1.00 22.40 H new ATOM 0 HB2 PHE A 109 -9.007 2.177 -3.430 1.00 74.32 H new ATOM 0 HB3 PHE A 109 -9.712 0.639 -3.888 1.00 74.32 H new ATOM 0 HD1 PHE A 109 -6.664 2.072 -2.176 1.00 45.45 H new ATOM 0 HD2 PHE A 109 -9.398 -1.237 -2.538 1.00 33.22 H new ATOM 0 HE1 PHE A 109 -5.431 0.861 -0.387 1.00 31.13 H new ATOM 0 HE2 PHE A 109 -8.310 -2.333 -0.591 1.00 61.21 H new ATOM 0 HZ PHE A 109 -6.340 -1.277 0.483 1.00 45.02 H new ATOM 1745 N GLU A 110 -9.162 0.460 -6.956 1.00 23.12 N ATOM 1746 CA GLU A 110 -10.134 0.541 -8.032 1.00 62.23 C ATOM 1747 C GLU A 110 -11.234 -0.446 -7.670 1.00 21.10 C ATOM 1748 O GLU A 110 -10.969 -1.582 -7.252 1.00 52.31 O ATOM 1749 CB GLU A 110 -9.501 0.213 -9.398 1.00 63.45 C ATOM 1750 CG GLU A 110 -8.787 1.423 -10.020 1.00 50.33 C ATOM 1751 CD GLU A 110 -8.170 1.099 -11.391 1.00 24.34 C ATOM 1752 OE1 GLU A 110 -8.919 1.035 -12.394 1.00 30.44 O ATOM 1753 OE2 GLU A 110 -6.947 0.845 -11.499 1.00 64.12 O ATOM 0 H GLU A 110 -8.780 -0.477 -6.832 1.00 23.12 H new ATOM 0 HA GLU A 110 -10.528 1.552 -8.134 1.00 62.23 H new ATOM 0 HB2 GLU A 110 -8.789 -0.603 -9.278 1.00 63.45 H new ATOM 0 HB3 GLU A 110 -10.276 -0.138 -10.079 1.00 63.45 H new ATOM 0 HG2 GLU A 110 -9.496 2.244 -10.129 1.00 50.33 H new ATOM 0 HG3 GLU A 110 -8.004 1.766 -9.344 1.00 50.33 H new ATOM 1760 N LEU A 111 -12.481 -0.005 -7.805 1.00 42.03 N ATOM 1761 CA LEU A 111 -13.621 -0.897 -7.740 1.00 42.25 C ATOM 1762 C LEU A 111 -13.577 -1.767 -8.984 1.00 44.04 C ATOM 1763 O LEU A 111 -13.467 -1.284 -10.119 1.00 2.21 O ATOM 1764 CB LEU A 111 -14.927 -0.106 -7.620 1.00 45.35 C ATOM 1765 CG LEU A 111 -16.204 -0.922 -7.310 1.00 34.13 C ATOM 1766 CD1 LEU A 111 -17.061 -1.188 -8.542 1.00 65.32 C ATOM 1767 CD2 LEU A 111 -16.017 -2.196 -6.496 1.00 63.21 C ATOM 0 H LEU A 111 -12.723 0.974 -7.961 1.00 42.03 H new ATOM 0 HA LEU A 111 -13.579 -1.529 -6.853 1.00 42.25 H new ATOM 0 HB2 LEU A 111 -14.802 0.642 -6.837 1.00 45.35 H new ATOM 0 HB3 LEU A 111 -15.086 0.434 -8.554 1.00 45.35 H new ATOM 0 HG LEU A 111 -16.744 -0.246 -6.647 1.00 34.13 H new ATOM 0 HD11 LEU A 111 -17.941 -1.764 -8.256 1.00 65.32 H new ATOM 0 HD12 LEU A 111 -17.375 -0.240 -8.979 1.00 65.32 H new ATOM 0 HD13 LEU A 111 -16.481 -1.750 -9.274 1.00 65.32 H new ATOM 0 HD21 LEU A 111 -16.984 -2.677 -6.346 1.00 63.21 H new ATOM 0 HD22 LEU A 111 -15.353 -2.875 -7.031 1.00 63.21 H new ATOM 0 HD23 LEU A 111 -15.580 -1.949 -5.528 1.00 63.21 H new ATOM 1779 N GLN A 112 -13.610 -3.070 -8.764 1.00 31.10 N ATOM 1780 CA GLN A 112 -13.715 -4.036 -9.828 1.00 41.11 C ATOM 1781 C GLN A 112 -15.178 -4.254 -10.129 1.00 74.35 C ATOM 1782 O GLN A 112 -16.016 -4.277 -9.229 1.00 25.33 O ATOM 1783 CB GLN A 112 -13.005 -5.343 -9.480 1.00 62.35 C ATOM 1784 CG GLN A 112 -11.509 -5.116 -9.200 1.00 62.21 C ATOM 1785 CD GLN A 112 -10.734 -4.473 -10.361 1.00 54.01 C ATOM 1786 OE1 GLN A 112 -11.179 -4.436 -11.504 1.00 65.24 O ATOM 1787 NE2 GLN A 112 -9.532 -3.971 -10.136 1.00 53.03 N ATOM 0 H GLN A 112 -13.564 -3.484 -7.833 1.00 31.10 H new ATOM 0 HA GLN A 112 -13.214 -3.654 -10.718 1.00 41.11 H new ATOM 0 HB2 GLN A 112 -13.476 -5.792 -8.605 1.00 62.35 H new ATOM 0 HB3 GLN A 112 -13.119 -6.050 -10.302 1.00 62.35 H new ATOM 0 HG2 GLN A 112 -11.409 -4.483 -8.318 1.00 62.21 H new ATOM 0 HG3 GLN A 112 -11.048 -6.074 -8.958 1.00 62.21 H new ATOM 0 HE21 GLN A 112 -9.140 -3.990 -9.195 1.00 53.03 H new ATOM 0 HE22 GLN A 112 -8.997 -3.565 -10.904 1.00 53.03 H new ATOM 1796 N ALA A 113 -15.460 -4.478 -11.407 1.00 50.33 N ATOM 1797 CA ALA A 113 -16.792 -4.717 -11.928 1.00 45.43 C ATOM 1798 C ALA A 113 -17.530 -5.826 -11.169 1.00 44.41 C ATOM 1799 O ALA A 113 -18.747 -5.770 -11.016 1.00 74.11 O ATOM 1800 CB ALA A 113 -16.613 -5.101 -13.385 1.00 61.25 C ATOM 0 H ALA A 113 -14.741 -4.498 -12.130 1.00 50.33 H new ATOM 0 HA ALA A 113 -17.404 -3.823 -11.811 1.00 45.43 H new ATOM 0 HB1 ALA A 113 -17.588 -5.294 -13.833 1.00 61.25 H new ATOM 0 HB2 ALA A 113 -16.124 -4.286 -13.919 1.00 61.25 H new ATOM 0 HB3 ALA A 113 -15.999 -5.999 -13.452 1.00 61.25 H new ATOM 1806 N ASP A 114 -16.770 -6.782 -10.631 1.00 34.20 N ATOM 1807 CA ASP A 114 -17.161 -7.872 -9.736 1.00 32.10 C ATOM 1808 C ASP A 114 -17.769 -7.399 -8.397 1.00 32.12 C ATOM 1809 O ASP A 114 -18.060 -8.212 -7.515 1.00 71.15 O ATOM 1810 CB ASP A 114 -15.901 -8.721 -9.507 1.00 62.15 C ATOM 1811 CG ASP A 114 -16.187 -10.099 -8.917 1.00 25.10 C ATOM 1812 OD1 ASP A 114 -17.153 -10.762 -9.336 1.00 22.14 O ATOM 1813 OD2 ASP A 114 -15.369 -10.572 -8.093 1.00 31.40 O ATOM 0 H ASP A 114 -15.770 -6.815 -10.830 1.00 34.20 H new ATOM 0 HA ASP A 114 -17.961 -8.447 -10.202 1.00 32.10 H new ATOM 0 HB2 ASP A 114 -15.379 -8.843 -10.456 1.00 62.15 H new ATOM 0 HB3 ASP A 114 -15.228 -8.183 -8.840 1.00 62.15 H new ATOM 1818 N GLY A 115 -17.947 -6.086 -8.194 1.00 33.34 N ATOM 1819 CA GLY A 115 -18.617 -5.524 -7.035 1.00 24.22 C ATOM 1820 C GLY A 115 -17.662 -5.322 -5.875 1.00 52.23 C ATOM 1821 O GLY A 115 -18.114 -4.977 -4.790 1.00 13.43 O ATOM 0 H GLY A 115 -17.619 -5.378 -8.851 1.00 33.34 H new ATOM 0 HA2 GLY A 115 -19.069 -4.569 -7.304 1.00 24.22 H new ATOM 0 HA3 GLY A 115 -19.427 -6.185 -6.728 1.00 24.22 H new ATOM 1825 N LYS A 116 -16.360 -5.541 -6.070 1.00 45.12 N ATOM 1826 CA LYS A 116 -15.398 -5.645 -4.995 1.00 21.33 C ATOM 1827 C LYS A 116 -14.277 -4.653 -5.209 1.00 51.13 C ATOM 1828 O LYS A 116 -13.786 -4.474 -6.321 1.00 53.42 O ATOM 1829 CB LYS A 116 -14.821 -7.057 -5.024 1.00 3.40 C ATOM 1830 CG LYS A 116 -15.822 -8.119 -4.586 1.00 31.13 C ATOM 1831 CD LYS A 116 -15.176 -9.504 -4.727 1.00 2.20 C ATOM 1832 CE LYS A 116 -16.173 -10.659 -4.614 1.00 3.24 C ATOM 1833 NZ LYS A 116 -16.889 -10.955 -5.872 1.00 11.32 N ATOM 0 H LYS A 116 -15.948 -5.651 -6.997 1.00 45.12 H new ATOM 0 HA LYS A 116 -15.879 -5.436 -4.039 1.00 21.33 H new ATOM 0 HB2 LYS A 116 -14.479 -7.283 -6.034 1.00 3.40 H new ATOM 0 HB3 LYS A 116 -13.947 -7.100 -4.374 1.00 3.40 H new ATOM 0 HG2 LYS A 116 -16.124 -7.948 -3.553 1.00 31.13 H new ATOM 0 HG3 LYS A 116 -16.724 -8.060 -5.196 1.00 31.13 H new ATOM 0 HD2 LYS A 116 -14.671 -9.564 -5.691 1.00 2.20 H new ATOM 0 HD3 LYS A 116 -14.411 -9.619 -3.959 1.00 2.20 H new ATOM 0 HE2 LYS A 116 -15.642 -11.554 -4.290 1.00 3.24 H new ATOM 0 HE3 LYS A 116 -16.902 -10.423 -3.839 1.00 3.24 H new ATOM 0 HZ1 LYS A 116 -17.456 -11.819 -5.754 1.00 11.32 H new ATOM 0 HZ2 LYS A 116 -17.515 -10.160 -6.111 1.00 11.32 H new ATOM 0 HZ3 LYS A 116 -16.200 -11.095 -6.639 1.00 11.32 H new ATOM 1847 N TRP A 117 -13.834 -4.044 -4.126 1.00 54.14 N ATOM 1848 CA TRP A 117 -12.768 -3.054 -4.138 1.00 65.23 C ATOM 1849 C TRP A 117 -11.439 -3.771 -3.958 1.00 51.34 C ATOM 1850 O TRP A 117 -11.281 -4.517 -2.985 1.00 71.23 O ATOM 1851 CB TRP A 117 -13.022 -2.035 -3.035 1.00 24.14 C ATOM 1852 CG TRP A 117 -14.179 -1.124 -3.310 1.00 71.33 C ATOM 1853 CD1 TRP A 117 -15.487 -1.398 -3.092 1.00 30.50 C ATOM 1854 CD2 TRP A 117 -14.141 0.233 -3.842 1.00 23.40 C ATOM 1855 NE1 TRP A 117 -16.257 -0.329 -3.505 1.00 33.43 N ATOM 1856 CE2 TRP A 117 -15.480 0.685 -4.018 1.00 25.10 C ATOM 1857 CE3 TRP A 117 -13.109 1.129 -4.190 1.00 4.32 C ATOM 1858 CZ2 TRP A 117 -15.777 1.935 -4.577 1.00 50.12 C ATOM 1859 CZ3 TRP A 117 -13.397 2.426 -4.653 1.00 32.23 C ATOM 1860 CH2 TRP A 117 -14.729 2.833 -4.838 1.00 43.41 C ATOM 0 H TRP A 117 -14.210 -4.225 -3.195 1.00 54.14 H new ATOM 0 HA TRP A 117 -12.739 -2.516 -5.086 1.00 65.23 H new ATOM 0 HB2 TRP A 117 -13.202 -2.564 -2.099 1.00 24.14 H new ATOM 0 HB3 TRP A 117 -12.124 -1.434 -2.894 1.00 24.14 H new ATOM 0 HD1 TRP A 117 -15.869 -2.312 -2.661 1.00 30.50 H new ATOM 0 HE1 TRP A 117 -17.274 -0.295 -3.438 1.00 33.43 H new ATOM 0 HE3 TRP A 117 -12.080 0.814 -4.100 1.00 4.32 H new ATOM 0 HZ2 TRP A 117 -16.798 2.204 -4.804 1.00 50.12 H new ATOM 0 HZ3 TRP A 117 -12.591 3.112 -4.867 1.00 32.23 H new ATOM 0 HH2 TRP A 117 -14.947 3.834 -5.180 1.00 43.41 H new ATOM 1871 N TYR A 118 -10.514 -3.572 -4.901 1.00 72.13 N ATOM 1872 CA TYR A 118 -9.203 -4.207 -4.926 1.00 25.43 C ATOM 1873 C TYR A 118 -8.128 -3.115 -4.903 1.00 74.13 C ATOM 1874 O TYR A 118 -8.357 -2.014 -5.408 1.00 50.24 O ATOM 1875 CB TYR A 118 -9.038 -5.055 -6.202 1.00 3.11 C ATOM 1876 CG TYR A 118 -9.645 -6.443 -6.262 1.00 22.53 C ATOM 1877 CD1 TYR A 118 -11.002 -6.652 -5.962 1.00 30.32 C ATOM 1878 CD2 TYR A 118 -8.861 -7.528 -6.713 1.00 50.41 C ATOM 1879 CE1 TYR A 118 -11.547 -7.943 -6.028 1.00 52.12 C ATOM 1880 CE2 TYR A 118 -9.402 -8.824 -6.772 1.00 24.22 C ATOM 1881 CZ TYR A 118 -10.747 -9.037 -6.404 1.00 11.01 C ATOM 1882 OH TYR A 118 -11.291 -10.280 -6.402 1.00 31.13 O ATOM 0 H TYR A 118 -10.666 -2.944 -5.690 1.00 72.13 H new ATOM 0 HA TYR A 118 -9.103 -4.859 -4.058 1.00 25.43 H new ATOM 0 HB2 TYR A 118 -9.453 -4.481 -7.031 1.00 3.11 H new ATOM 0 HB3 TYR A 118 -7.969 -5.158 -6.389 1.00 3.11 H new ATOM 0 HD1 TYR A 118 -11.626 -5.817 -5.680 1.00 30.32 H new ATOM 0 HD2 TYR A 118 -7.838 -7.360 -7.015 1.00 50.41 H new ATOM 0 HE1 TYR A 118 -12.589 -8.098 -5.788 1.00 52.12 H new ATOM 0 HE2 TYR A 118 -8.791 -9.653 -7.098 1.00 24.22 H new ATOM 0 HH TYR A 118 -10.617 -10.933 -6.686 1.00 31.13 H new ATOM 1892 N VAL A 119 -6.939 -3.418 -4.372 1.00 50.21 N ATOM 1893 CA VAL A 119 -5.804 -2.490 -4.398 1.00 51.02 C ATOM 1894 C VAL A 119 -5.263 -2.384 -5.838 1.00 63.32 C ATOM 1895 O VAL A 119 -5.329 -3.364 -6.590 1.00 53.03 O ATOM 1896 CB VAL A 119 -4.709 -3.016 -3.447 1.00 12.31 C ATOM 1897 CG1 VAL A 119 -3.446 -2.149 -3.447 1.00 4.03 C ATOM 1898 CG2 VAL A 119 -5.157 -3.244 -1.999 1.00 74.22 C ATOM 0 H VAL A 119 -6.737 -4.307 -3.915 1.00 50.21 H new ATOM 0 HA VAL A 119 -6.118 -1.499 -4.070 1.00 51.02 H new ATOM 0 HB VAL A 119 -4.480 -3.994 -3.870 1.00 12.31 H new ATOM 0 HG11 VAL A 119 -2.714 -2.572 -2.758 1.00 4.03 H new ATOM 0 HG12 VAL A 119 -3.024 -2.120 -4.452 1.00 4.03 H new ATOM 0 HG13 VAL A 119 -3.699 -1.137 -3.131 1.00 4.03 H new ATOM 0 HG21 VAL A 119 -4.316 -3.613 -1.412 1.00 74.22 H new ATOM 0 HG22 VAL A 119 -5.510 -2.304 -1.575 1.00 74.22 H new ATOM 0 HG23 VAL A 119 -5.963 -3.977 -1.979 1.00 74.22 H new ATOM 1908 N VAL A 120 -4.663 -1.244 -6.199 1.00 73.33 N ATOM 1909 CA VAL A 120 -3.849 -1.014 -7.402 1.00 51.11 C ATOM 1910 C VAL A 120 -2.552 -0.257 -7.090 1.00 53.24 C ATOM 1911 O VAL A 120 -1.782 0.018 -8.014 1.00 31.10 O ATOM 1912 CB VAL A 120 -4.674 -0.342 -8.526 1.00 64.45 C ATOM 1913 CG1 VAL A 120 -5.904 -1.178 -8.862 1.00 64.31 C ATOM 1914 CG2 VAL A 120 -5.139 1.087 -8.263 1.00 53.11 C ATOM 0 H VAL A 120 -4.736 -0.404 -5.625 1.00 73.33 H new ATOM 0 HA VAL A 120 -3.544 -1.991 -7.776 1.00 51.11 H new ATOM 0 HB VAL A 120 -3.968 -0.286 -9.354 1.00 64.45 H new ATOM 0 HG11 VAL A 120 -6.471 -0.689 -9.654 1.00 64.31 H new ATOM 0 HG12 VAL A 120 -5.591 -2.167 -9.197 1.00 64.31 H new ATOM 0 HG13 VAL A 120 -6.530 -1.276 -7.975 1.00 64.31 H new ATOM 0 HG21 VAL A 120 -5.706 1.449 -9.121 1.00 53.11 H new ATOM 0 HG22 VAL A 120 -5.772 1.106 -7.376 1.00 53.11 H new ATOM 0 HG23 VAL A 120 -4.272 1.728 -8.104 1.00 53.11 H new ATOM 1924 N ASP A 121 -2.267 0.005 -5.810 1.00 3.21 N ATOM 1925 CA ASP A 121 -0.968 0.551 -5.378 1.00 23.43 C ATOM 1926 C ASP A 121 -0.632 0.147 -3.952 1.00 44.23 C ATOM 1927 O ASP A 121 -1.511 0.151 -3.089 1.00 53.13 O ATOM 1928 CB ASP A 121 -0.827 2.078 -5.540 1.00 11.21 C ATOM 1929 CG ASP A 121 0.593 2.505 -5.952 1.00 65.32 C ATOM 1930 OD1 ASP A 121 1.404 1.651 -6.402 1.00 14.21 O ATOM 1931 OD2 ASP A 121 0.859 3.721 -5.892 1.00 33.12 O ATOM 0 H ASP A 121 -2.923 -0.153 -5.045 1.00 3.21 H new ATOM 0 HA ASP A 121 -0.248 0.103 -6.062 1.00 23.43 H new ATOM 0 HB2 ASP A 121 -1.538 2.427 -6.289 1.00 11.21 H new ATOM 0 HB3 ASP A 121 -1.090 2.564 -4.601 1.00 11.21 H new ATOM 1936 N CYS A 122 0.627 -0.219 -3.706 1.00 53.25 N ATOM 1937 CA CYS A 122 1.138 -0.616 -2.405 1.00 25.22 C ATOM 1938 C CYS A 122 2.560 -0.092 -2.134 1.00 10.03 C ATOM 1939 O CYS A 122 3.354 -0.789 -1.509 1.00 22.10 O ATOM 1940 CB CYS A 122 1.020 -2.137 -2.246 1.00 23.11 C ATOM 1941 SG CYS A 122 0.797 -2.540 -0.488 1.00 74.43 S ATOM 0 H CYS A 122 1.339 -0.246 -4.436 1.00 53.25 H new ATOM 0 HA CYS A 122 0.522 -0.146 -1.639 1.00 25.22 H new ATOM 0 HB2 CYS A 122 0.177 -2.511 -2.827 1.00 23.11 H new ATOM 0 HB3 CYS A 122 1.915 -2.625 -2.633 1.00 23.11 H new ATOM 0 HG CYS A 122 0.034 -3.586 -0.376 1.00 74.43 H new ATOM 1947 N TYR A 123 2.907 1.108 -2.600 1.00 14.31 N ATOM 1948 CA TYR A 123 4.231 1.679 -2.376 1.00 23.32 C ATOM 1949 C TYR A 123 4.429 1.935 -0.890 1.00 2.44 C ATOM 1950 O TYR A 123 3.503 2.398 -0.222 1.00 3.13 O ATOM 1951 CB TYR A 123 4.347 3.007 -3.114 1.00 33.34 C ATOM 1952 CG TYR A 123 5.705 3.678 -3.012 1.00 72.55 C ATOM 1953 CD1 TYR A 123 6.791 3.161 -3.741 1.00 41.15 C ATOM 1954 CD2 TYR A 123 5.894 4.809 -2.190 1.00 12.32 C ATOM 1955 CE1 TYR A 123 8.043 3.794 -3.692 1.00 4.23 C ATOM 1956 CE2 TYR A 123 7.139 5.455 -2.145 1.00 63.14 C ATOM 1957 CZ TYR A 123 8.212 4.961 -2.915 1.00 44.14 C ATOM 1958 OH TYR A 123 9.417 5.586 -2.889 1.00 64.45 O ATOM 0 H TYR A 123 2.282 1.706 -3.140 1.00 14.31 H new ATOM 0 HA TYR A 123 4.985 0.981 -2.741 1.00 23.32 H new ATOM 0 HB2 TYR A 123 4.117 2.842 -4.167 1.00 33.34 H new ATOM 0 HB3 TYR A 123 3.591 3.689 -2.726 1.00 33.34 H new ATOM 0 HD1 TYR A 123 6.661 2.273 -4.341 1.00 41.15 H new ATOM 0 HD2 TYR A 123 5.075 5.180 -1.591 1.00 12.32 H new ATOM 0 HE1 TYR A 123 8.876 3.389 -4.248 1.00 4.23 H new ATOM 0 HE2 TYR A 123 7.275 6.327 -1.523 1.00 63.14 H new ATOM 0 HH TYR A 123 9.324 6.491 -3.253 1.00 64.45 H new ATOM 1968 N THR A 124 5.629 1.682 -0.384 1.00 42.04 N ATOM 1969 CA THR A 124 6.037 2.008 0.974 1.00 50.35 C ATOM 1970 C THR A 124 7.545 2.257 0.978 1.00 24.12 C ATOM 1971 O THR A 124 8.287 1.688 0.157 1.00 13.22 O ATOM 1972 CB THR A 124 5.590 0.906 1.969 1.00 3.33 C ATOM 1973 OG1 THR A 124 6.405 0.818 3.120 1.00 14.00 O ATOM 1974 CG2 THR A 124 5.522 -0.508 1.383 1.00 10.40 C ATOM 0 H THR A 124 6.367 1.231 -0.925 1.00 42.04 H new ATOM 0 HA THR A 124 5.544 2.918 1.315 1.00 50.35 H new ATOM 0 HB THR A 124 4.585 1.242 2.226 1.00 3.33 H new ATOM 0 HG1 THR A 124 5.915 0.358 3.833 1.00 14.00 H new ATOM 0 HG21 THR A 124 5.200 -1.207 2.155 1.00 10.40 H new ATOM 0 HG22 THR A 124 4.810 -0.526 0.558 1.00 10.40 H new ATOM 0 HG23 THR A 124 6.507 -0.799 1.019 1.00 10.40 H new ATOM 1982 N GLY A 125 7.994 3.047 1.955 1.00 54.02 N ATOM 1983 CA GLY A 125 9.391 3.288 2.282 1.00 44.44 C ATOM 1984 C GLY A 125 10.238 2.014 2.336 1.00 44.23 C ATOM 1985 O GLY A 125 11.402 2.050 1.933 1.00 44.23 O ATOM 0 H GLY A 125 7.358 3.559 2.567 1.00 54.02 H new ATOM 0 HA2 GLY A 125 9.817 3.966 1.542 1.00 44.44 H new ATOM 0 HA3 GLY A 125 9.448 3.793 3.246 1.00 44.44 H new ATOM 1989 N TRP A 126 9.652 0.876 2.740 1.00 22.43 N ATOM 1990 CA TRP A 126 10.301 -0.440 2.784 1.00 54.42 C ATOM 1991 C TRP A 126 11.105 -0.739 1.522 1.00 14.10 C ATOM 1992 O TRP A 126 12.199 -1.290 1.606 1.00 12.01 O ATOM 1993 CB TRP A 126 9.234 -1.534 2.934 1.00 20.52 C ATOM 1994 CG TRP A 126 8.814 -1.806 4.335 1.00 60.13 C ATOM 1995 CD1 TRP A 126 7.558 -1.763 4.824 1.00 44.35 C ATOM 1996 CD2 TRP A 126 9.662 -2.199 5.445 1.00 60.11 C ATOM 1997 NE1 TRP A 126 7.578 -2.087 6.164 1.00 42.31 N ATOM 1998 CE2 TRP A 126 8.852 -2.378 6.601 1.00 4.12 C ATOM 1999 CE3 TRP A 126 11.047 -2.392 5.586 1.00 21.21 C ATOM 2000 CZ2 TRP A 126 9.397 -2.758 7.836 1.00 0.25 C ATOM 2001 CZ3 TRP A 126 11.604 -2.750 6.819 1.00 52.40 C ATOM 2002 CH2 TRP A 126 10.785 -2.959 7.944 1.00 42.31 C ATOM 0 H TRP A 126 8.682 0.848 3.055 1.00 22.43 H new ATOM 0 HA TRP A 126 10.984 -0.427 3.634 1.00 54.42 H new ATOM 0 HB2 TRP A 126 8.356 -1.248 2.355 1.00 20.52 H new ATOM 0 HB3 TRP A 126 9.616 -2.457 2.498 1.00 20.52 H new ATOM 0 HD1 TRP A 126 6.675 -1.514 4.255 1.00 44.35 H new ATOM 0 HE1 TRP A 126 6.750 -2.109 6.760 1.00 42.31 H new ATOM 0 HE3 TRP A 126 11.692 -2.262 4.729 1.00 21.21 H new ATOM 0 HZ2 TRP A 126 8.758 -2.895 8.695 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 12.674 -2.867 6.908 1.00 52.40 H new ATOM 0 HH2 TRP A 126 11.219 -3.271 8.883 1.00 42.31 H new ATOM 2013 N TYR A 127 10.555 -0.412 0.353 1.00 11.32 N ATOM 2014 CA TYR A 127 11.123 -0.803 -0.930 1.00 13.13 C ATOM 2015 C TYR A 127 11.381 0.426 -1.814 1.00 65.24 C ATOM 2016 O TYR A 127 11.354 0.338 -3.046 1.00 21.21 O ATOM 2017 CB TYR A 127 10.240 -1.891 -1.555 1.00 72.33 C ATOM 2018 CG TYR A 127 9.964 -3.113 -0.682 1.00 51.34 C ATOM 2019 CD1 TYR A 127 11.028 -3.882 -0.167 1.00 41.20 C ATOM 2020 CD2 TYR A 127 8.638 -3.492 -0.394 1.00 42.42 C ATOM 2021 CE1 TYR A 127 10.779 -5.008 0.638 1.00 15.03 C ATOM 2022 CE2 TYR A 127 8.380 -4.616 0.410 1.00 34.42 C ATOM 2023 CZ TYR A 127 9.450 -5.370 0.941 1.00 34.54 C ATOM 2024 OH TYR A 127 9.206 -6.454 1.731 1.00 51.32 O ATOM 0 H TYR A 127 9.698 0.135 0.273 1.00 11.32 H new ATOM 0 HA TYR A 127 12.110 -1.248 -0.804 1.00 13.13 H new ATOM 0 HB2 TYR A 127 9.285 -1.443 -1.830 1.00 72.33 H new ATOM 0 HB3 TYR A 127 10.712 -2.228 -2.478 1.00 72.33 H new ATOM 0 HD1 TYR A 127 12.046 -3.603 -0.394 1.00 41.20 H new ATOM 0 HD2 TYR A 127 7.816 -2.916 -0.793 1.00 42.42 H new ATOM 0 HE1 TYR A 127 11.602 -5.593 1.022 1.00 15.03 H new ATOM 0 HE2 TYR A 127 7.361 -4.904 0.622 1.00 34.42 H new ATOM 0 HH TYR A 127 8.239 -6.566 1.843 1.00 51.32 H new ATOM 2034 N GLY A 128 11.622 1.571 -1.166 1.00 72.54 N ATOM 2035 CA GLY A 128 12.114 2.801 -1.766 1.00 13.03 C ATOM 2036 C GLY A 128 13.641 2.800 -1.861 1.00 11.33 C ATOM 2037 O GLY A 128 14.287 1.745 -1.795 1.00 52.04 O ATOM 0 H GLY A 128 11.470 1.662 -0.162 1.00 72.54 H new ATOM 0 HA2 GLY A 128 11.686 2.920 -2.761 1.00 13.03 H new ATOM 0 HA3 GLY A 128 11.785 3.655 -1.173 1.00 13.03 H new ATOM 2041 N TYR A 129 14.231 3.982 -2.063 1.00 34.43 N ATOM 2042 CA TYR A 129 15.671 4.138 -2.208 1.00 54.35 C ATOM 2043 C TYR A 129 16.324 4.103 -0.816 1.00 11.34 C ATOM 2044 O TYR A 129 16.690 5.148 -0.275 1.00 42.14 O ATOM 2045 CB TYR A 129 16.021 5.447 -2.948 1.00 61.11 C ATOM 2046 CG TYR A 129 15.257 5.840 -4.205 1.00 30.34 C ATOM 2047 CD1 TYR A 129 14.728 4.898 -5.111 1.00 71.43 C ATOM 2048 CD2 TYR A 129 15.075 7.212 -4.454 1.00 45.31 C ATOM 2049 CE1 TYR A 129 14.055 5.331 -6.274 1.00 14.13 C ATOM 2050 CE2 TYR A 129 14.389 7.649 -5.594 1.00 63.43 C ATOM 2051 CZ TYR A 129 13.905 6.712 -6.533 1.00 3.14 C ATOM 2052 OH TYR A 129 13.288 7.143 -7.664 1.00 25.50 O ATOM 0 H TYR A 129 13.715 4.859 -2.130 1.00 34.43 H new ATOM 0 HA TYR A 129 16.058 3.316 -2.810 1.00 54.35 H new ATOM 0 HB2 TYR A 129 15.910 6.263 -2.233 1.00 61.11 H new ATOM 0 HB3 TYR A 129 17.077 5.397 -3.213 1.00 61.11 H new ATOM 0 HD1 TYR A 129 14.838 3.842 -4.915 1.00 71.43 H new ATOM 0 HD2 TYR A 129 15.469 7.937 -3.758 1.00 45.31 H new ATOM 0 HE1 TYR A 129 13.654 4.606 -6.967 1.00 14.13 H new ATOM 0 HE2 TYR A 129 14.230 8.705 -5.755 1.00 63.43 H new ATOM 0 HH TYR A 129 13.274 8.123 -7.676 1.00 25.50 H new ATOM 2062 N ASP A 130 16.431 2.933 -0.186 1.00 65.24 N ATOM 2063 CA ASP A 130 17.100 2.800 1.117 1.00 53.12 C ATOM 2064 C ASP A 130 18.068 1.631 1.121 1.00 5.35 C ATOM 2065 O ASP A 130 19.195 1.760 1.605 1.00 71.11 O ATOM 2066 CB ASP A 130 16.092 2.669 2.267 1.00 45.24 C ATOM 2067 CG ASP A 130 16.786 2.747 3.631 1.00 21.30 C ATOM 2068 OD1 ASP A 130 17.207 3.865 4.011 1.00 60.53 O ATOM 2069 OD2 ASP A 130 16.837 1.727 4.361 1.00 41.22 O ATOM 0 H ASP A 130 16.062 2.057 -0.556 1.00 65.24 H new ATOM 0 HA ASP A 130 17.668 3.717 1.278 1.00 53.12 H new ATOM 0 HB2 ASP A 130 15.346 3.460 2.191 1.00 45.24 H new ATOM 0 HB3 ASP A 130 15.561 1.721 2.181 1.00 45.24 H new ATOM 2074 N LEU A 131 17.674 0.508 0.515 1.00 61.34 N ATOM 2075 CA LEU A 131 18.524 -0.670 0.436 1.00 50.34 C ATOM 2076 C LEU A 131 18.853 -0.921 -1.025 1.00 31.52 C ATOM 2077 O LEU A 131 17.997 -0.674 -1.885 1.00 5.22 O ATOM 2078 CB LEU A 131 17.840 -1.914 1.025 1.00 63.33 C ATOM 2079 CG LEU A 131 17.830 -2.062 2.559 1.00 31.12 C ATOM 2080 CD1 LEU A 131 19.100 -1.569 3.260 1.00 22.24 C ATOM 2081 CD2 LEU A 131 16.609 -1.375 3.168 1.00 23.24 C ATOM 0 H LEU A 131 16.763 0.396 0.070 1.00 61.34 H new ATOM 0 HA LEU A 131 19.427 -0.487 1.019 1.00 50.34 H new ATOM 0 HB2 LEU A 131 16.806 -1.925 0.679 1.00 63.33 H new ATOM 0 HB3 LEU A 131 18.325 -2.795 0.605 1.00 63.33 H new ATOM 0 HG LEU A 131 17.785 -3.137 2.731 1.00 31.12 H new ATOM 0 HD11 LEU A 131 19.001 -1.713 4.336 1.00 22.24 H new ATOM 0 HD12 LEU A 131 19.959 -2.133 2.896 1.00 22.24 H new ATOM 0 HD13 LEU A 131 19.245 -0.510 3.048 1.00 22.24 H new ATOM 0 HD21 LEU A 131 16.627 -1.495 4.251 1.00 23.24 H new ATOM 0 HD22 LEU A 131 16.627 -0.314 2.920 1.00 23.24 H new ATOM 0 HD23 LEU A 131 15.701 -1.826 2.768 1.00 23.24 H new ATOM 2093 N PRO A 132 20.053 -1.434 -1.322 1.00 42.21 N ATOM 2094 CA PRO A 132 20.390 -1.883 -2.655 1.00 45.20 C ATOM 2095 C PRO A 132 19.740 -3.240 -2.947 1.00 1.12 C ATOM 2096 O PRO A 132 19.179 -3.907 -2.071 1.00 63.30 O ATOM 2097 CB PRO A 132 21.917 -1.982 -2.628 1.00 74.34 C ATOM 2098 CG PRO A 132 22.223 -2.416 -1.199 1.00 12.35 C ATOM 2099 CD PRO A 132 21.174 -1.638 -0.409 1.00 64.31 C ATOM 0 HA PRO A 132 20.034 -1.214 -3.438 1.00 45.20 H new ATOM 0 HB2 PRO A 132 22.285 -2.707 -3.354 1.00 74.34 H new ATOM 0 HB3 PRO A 132 22.385 -1.027 -2.866 1.00 74.34 H new ATOM 0 HG2 PRO A 132 22.119 -3.493 -1.067 1.00 12.35 H new ATOM 0 HG3 PRO A 132 23.238 -2.154 -0.900 1.00 12.35 H new ATOM 0 HD2 PRO A 132 20.861 -2.193 0.476 1.00 64.31 H new ATOM 0 HD3 PRO A 132 21.574 -0.685 -0.063 1.00 64.31 H new ATOM 2107 N ILE A 133 19.876 -3.687 -4.195 1.00 22.13 N ATOM 2108 CA ILE A 133 19.387 -4.981 -4.680 1.00 44.30 C ATOM 2109 C ILE A 133 19.933 -6.162 -3.858 1.00 54.43 C ATOM 2110 O ILE A 133 19.310 -7.228 -3.808 1.00 25.33 O ATOM 2111 CB ILE A 133 19.670 -5.053 -6.198 1.00 11.41 C ATOM 2112 CG1 ILE A 133 18.930 -6.184 -6.910 1.00 65.23 C ATOM 2113 CG2 ILE A 133 21.157 -5.145 -6.512 1.00 71.20 C ATOM 2114 CD1 ILE A 133 19.004 -6.061 -8.438 1.00 54.20 C ATOM 0 H ILE A 133 20.344 -3.143 -4.920 1.00 22.13 H new ATOM 0 HA ILE A 133 18.310 -5.066 -4.535 1.00 44.30 H new ATOM 0 HB ILE A 133 19.284 -4.110 -6.585 1.00 11.41 H new ATOM 0 HG12 ILE A 133 19.354 -7.141 -6.604 1.00 65.23 H new ATOM 0 HG13 ILE A 133 17.885 -6.184 -6.598 1.00 65.23 H new ATOM 0 HG21 ILE A 133 21.299 -5.193 -7.592 1.00 71.20 H new ATOM 0 HG22 ILE A 133 21.667 -4.266 -6.118 1.00 71.20 H new ATOM 0 HG23 ILE A 133 21.571 -6.042 -6.052 1.00 71.20 H new ATOM 0 HD11 ILE A 133 18.463 -6.889 -8.896 1.00 54.20 H new ATOM 0 HD12 ILE A 133 18.556 -5.118 -8.749 1.00 54.20 H new ATOM 0 HD13 ILE A 133 20.046 -6.089 -8.755 1.00 54.20 H new ATOM 2126 N GLY A 134 21.070 -5.987 -3.190 1.00 74.24 N ATOM 2127 CA GLY A 134 21.737 -6.992 -2.385 1.00 34.25 C ATOM 2128 C GLY A 134 21.124 -7.135 -1.000 1.00 50.30 C ATOM 2129 O GLY A 134 20.933 -8.265 -0.551 1.00 4.22 O ATOM 0 H GLY A 134 21.570 -5.098 -3.199 1.00 74.24 H new ATOM 0 HA2 GLY A 134 21.692 -7.952 -2.899 1.00 34.25 H new ATOM 0 HA3 GLY A 134 22.791 -6.732 -2.287 1.00 34.25 H new ATOM 2133 N GLU A 135 20.778 -6.042 -0.317 1.00 23.12 N ATOM 2134 CA GLU A 135 20.148 -6.145 1.003 1.00 22.41 C ATOM 2135 C GLU A 135 18.649 -6.410 0.906 1.00 3.44 C ATOM 2136 O GLU A 135 18.049 -6.846 1.887 1.00 60.21 O ATOM 2137 CB GLU A 135 20.432 -4.928 1.879 1.00 14.01 C ATOM 2138 CG GLU A 135 21.890 -4.882 2.318 1.00 33.52 C ATOM 2139 CD GLU A 135 22.033 -4.069 3.598 1.00 1.11 C ATOM 2140 OE1 GLU A 135 21.708 -4.624 4.674 1.00 62.51 O ATOM 2141 OE2 GLU A 135 22.406 -2.878 3.528 1.00 72.11 O ATOM 0 H GLU A 135 20.920 -5.088 -0.649 1.00 23.12 H new ATOM 0 HA GLU A 135 20.604 -7.008 1.488 1.00 22.41 H new ATOM 0 HB2 GLU A 135 20.188 -4.019 1.330 1.00 14.01 H new ATOM 0 HB3 GLU A 135 19.787 -4.953 2.758 1.00 14.01 H new ATOM 0 HG2 GLU A 135 22.260 -5.894 2.479 1.00 33.52 H new ATOM 0 HG3 GLU A 135 22.500 -4.441 1.530 1.00 33.52 H new ATOM 2148 N LEU A 136 18.065 -6.261 -0.288 1.00 21.24 N ATOM 2149 CA LEU A 136 16.642 -6.442 -0.560 1.00 64.23 C ATOM 2150 C LEU A 136 16.088 -7.705 0.107 1.00 24.45 C ATOM 2151 O LEU A 136 15.029 -7.673 0.733 1.00 55.44 O ATOM 2152 CB LEU A 136 16.440 -6.498 -2.085 1.00 44.40 C ATOM 2153 CG LEU A 136 15.047 -6.072 -2.595 1.00 45.32 C ATOM 2154 CD1 LEU A 136 14.833 -6.624 -4.010 1.00 11.45 C ATOM 2155 CD2 LEU A 136 13.838 -6.500 -1.772 1.00 11.14 C ATOM 0 H LEU A 136 18.594 -6.001 -1.120 1.00 21.24 H new ATOM 0 HA LEU A 136 16.092 -5.601 -0.139 1.00 64.23 H new ATOM 0 HB2 LEU A 136 17.189 -5.860 -2.555 1.00 44.40 H new ATOM 0 HB3 LEU A 136 16.633 -7.517 -2.421 1.00 44.40 H new ATOM 0 HG LEU A 136 15.083 -4.984 -2.533 1.00 45.32 H new ATOM 0 HD11 LEU A 136 13.850 -6.324 -4.373 1.00 11.45 H new ATOM 0 HD12 LEU A 136 15.601 -6.228 -4.675 1.00 11.45 H new ATOM 0 HD13 LEU A 136 14.896 -7.712 -3.990 1.00 11.45 H new ATOM 0 HD21 LEU A 136 12.927 -6.133 -2.245 1.00 11.14 H new ATOM 0 HD22 LEU A 136 13.804 -7.588 -1.714 1.00 11.14 H new ATOM 0 HD23 LEU A 136 13.917 -6.085 -0.767 1.00 11.14 H new ATOM 2167 N LYS A 137 16.811 -8.831 0.018 1.00 42.40 N ATOM 2168 CA LYS A 137 16.369 -10.072 0.648 1.00 11.32 C ATOM 2169 C LYS A 137 16.067 -9.869 2.123 1.00 60.40 C ATOM 2170 O LYS A 137 14.995 -10.300 2.554 1.00 24.21 O ATOM 2171 CB LYS A 137 17.378 -11.214 0.467 1.00 52.44 C ATOM 2172 CG LYS A 137 17.138 -11.923 -0.870 1.00 53.30 C ATOM 2173 CD LYS A 137 17.728 -13.330 -0.905 1.00 13.42 C ATOM 2174 CE LYS A 137 19.254 -13.393 -0.840 1.00 2.24 C ATOM 2175 NZ LYS A 137 19.898 -12.924 -2.085 1.00 33.35 N ATOM 0 H LYS A 137 17.697 -8.903 -0.482 1.00 42.40 H new ATOM 0 HA LYS A 137 15.450 -10.361 0.139 1.00 11.32 H new ATOM 0 HB2 LYS A 137 18.394 -10.821 0.501 1.00 52.44 H new ATOM 0 HB3 LYS A 137 17.284 -11.926 1.287 1.00 52.44 H new ATOM 0 HG2 LYS A 137 16.066 -11.978 -1.060 1.00 53.30 H new ATOM 0 HG3 LYS A 137 17.574 -11.330 -1.674 1.00 53.30 H new ATOM 0 HD2 LYS A 137 17.320 -13.900 -0.070 1.00 13.42 H new ATOM 0 HD3 LYS A 137 17.398 -13.824 -1.819 1.00 13.42 H new ATOM 0 HE2 LYS A 137 19.603 -12.786 -0.004 1.00 2.24 H new ATOM 0 HE3 LYS A 137 19.563 -14.419 -0.640 1.00 2.24 H new ATOM 0 HZ1 LYS A 137 20.931 -12.988 -1.987 1.00 33.35 H new ATOM 0 HZ2 LYS A 137 19.589 -13.518 -2.881 1.00 33.35 H new ATOM 0 HZ3 LYS A 137 19.628 -11.936 -2.265 1.00 33.35 H new ATOM 2189 N GLN A 138 16.963 -9.239 2.878 1.00 60.40 N ATOM 2190 CA GLN A 138 16.748 -9.018 4.296 1.00 1.44 C ATOM 2191 C GLN A 138 15.546 -8.111 4.519 1.00 4.41 C ATOM 2192 O GLN A 138 14.745 -8.399 5.401 1.00 2.45 O ATOM 2193 CB GLN A 138 18.022 -8.480 4.962 1.00 61.20 C ATOM 2194 CG GLN A 138 17.899 -8.375 6.492 1.00 4.45 C ATOM 2195 CD GLN A 138 17.373 -9.657 7.146 1.00 52.22 C ATOM 2196 OE1 GLN A 138 17.794 -10.765 6.805 1.00 74.32 O ATOM 2197 NE2 GLN A 138 16.421 -9.538 8.051 1.00 0.43 N ATOM 0 H GLN A 138 17.847 -8.873 2.525 1.00 60.40 H new ATOM 0 HA GLN A 138 16.522 -9.972 4.773 1.00 1.44 H new ATOM 0 HB2 GLN A 138 18.859 -9.133 4.714 1.00 61.20 H new ATOM 0 HB3 GLN A 138 18.252 -7.496 4.553 1.00 61.20 H new ATOM 0 HG2 GLN A 138 18.875 -8.135 6.913 1.00 4.45 H new ATOM 0 HG3 GLN A 138 17.233 -7.549 6.740 1.00 4.45 H new ATOM 0 HE21 GLN A 138 16.086 -8.613 8.320 1.00 0.43 H new ATOM 0 HE22 GLN A 138 16.020 -10.371 8.482 1.00 0.43 H new ATOM 2206 N THR A 139 15.341 -7.097 3.683 1.00 54.30 N ATOM 2207 CA THR A 139 14.176 -6.230 3.794 1.00 51.41 C ATOM 2208 C THR A 139 12.866 -7.027 3.660 1.00 21.52 C ATOM 2209 O THR A 139 11.860 -6.708 4.292 1.00 22.32 O ATOM 2210 CB THR A 139 14.264 -5.128 2.728 1.00 22.53 C ATOM 2211 OG1 THR A 139 15.598 -4.717 2.457 1.00 15.15 O ATOM 2212 CG2 THR A 139 13.451 -3.909 3.148 1.00 0.02 C ATOM 0 H THR A 139 15.971 -6.856 2.918 1.00 54.30 H new ATOM 0 HA THR A 139 14.169 -5.773 4.784 1.00 51.41 H new ATOM 0 HB THR A 139 13.857 -5.563 1.815 1.00 22.53 H new ATOM 0 HG1 THR A 139 15.592 -4.017 1.771 1.00 15.15 H new ATOM 0 HG21 THR A 139 13.526 -3.139 2.380 1.00 0.02 H new ATOM 0 HG22 THR A 139 12.407 -4.194 3.275 1.00 0.02 H new ATOM 0 HG23 THR A 139 13.838 -3.520 4.090 1.00 0.02 H new ATOM 2220 N ILE A 140 12.849 -8.089 2.850 1.00 11.22 N ATOM 2221 CA ILE A 140 11.682 -8.955 2.718 1.00 24.24 C ATOM 2222 C ILE A 140 11.589 -9.877 3.942 1.00 13.14 C ATOM 2223 O ILE A 140 10.476 -10.197 4.372 1.00 24.34 O ATOM 2224 CB ILE A 140 11.733 -9.741 1.389 1.00 20.15 C ATOM 2225 CG1 ILE A 140 11.849 -8.809 0.162 1.00 60.12 C ATOM 2226 CG2 ILE A 140 10.451 -10.567 1.207 1.00 22.11 C ATOM 2227 CD1 ILE A 140 12.141 -9.570 -1.137 1.00 31.44 C ATOM 0 H ILE A 140 13.641 -8.369 2.271 1.00 11.22 H new ATOM 0 HA ILE A 140 10.776 -8.350 2.686 1.00 24.24 H new ATOM 0 HB ILE A 140 12.614 -10.379 1.447 1.00 20.15 H new ATOM 0 HG12 ILE A 140 10.921 -8.248 0.048 1.00 60.12 H new ATOM 0 HG13 ILE A 140 12.642 -8.082 0.338 1.00 60.12 H new ATOM 0 HG21 ILE A 140 10.502 -11.115 0.266 1.00 22.11 H new ATOM 0 HG22 ILE A 140 10.352 -11.272 2.033 1.00 22.11 H new ATOM 0 HG23 ILE A 140 9.588 -9.901 1.193 1.00 22.11 H new ATOM 0 HD11 ILE A 140 12.212 -8.864 -1.964 1.00 31.44 H new ATOM 0 HD12 ILE A 140 13.083 -10.109 -1.039 1.00 31.44 H new ATOM 0 HD13 ILE A 140 11.336 -10.278 -1.332 1.00 31.44 H new ATOM 2239 N GLN A 141 12.719 -10.327 4.500 1.00 34.43 N ATOM 2240 CA GLN A 141 12.706 -11.126 5.720 1.00 33.31 C ATOM 2241 C GLN A 141 12.099 -10.325 6.867 1.00 72.10 C ATOM 2242 O GLN A 141 11.155 -10.810 7.487 1.00 32.52 O ATOM 2243 CB GLN A 141 14.070 -11.769 6.038 1.00 15.44 C ATOM 2244 CG GLN A 141 14.559 -12.661 4.879 1.00 14.13 C ATOM 2245 CD GLN A 141 15.451 -13.843 5.263 1.00 60.13 C ATOM 2246 OE1 GLN A 141 15.876 -14.018 6.397 1.00 63.41 O ATOM 2247 NE2 GLN A 141 15.724 -14.728 4.315 1.00 24.55 N ATOM 0 H GLN A 141 13.650 -10.149 4.123 1.00 34.43 H new ATOM 0 HA GLN A 141 12.056 -11.986 5.560 1.00 33.31 H new ATOM 0 HB2 GLN A 141 14.805 -10.988 6.232 1.00 15.44 H new ATOM 0 HB3 GLN A 141 13.989 -12.364 6.948 1.00 15.44 H new ATOM 0 HG2 GLN A 141 13.686 -13.048 4.353 1.00 14.13 H new ATOM 0 HG3 GLN A 141 15.105 -12.036 4.173 1.00 14.13 H new ATOM 0 HE21 GLN A 141 15.372 -14.586 3.368 1.00 24.55 H new ATOM 0 HE22 GLN A 141 16.286 -15.551 4.532 1.00 24.55 H new ATOM 2256 N ASN A 142 12.531 -9.076 7.024 1.00 34.54 N ATOM 2257 CA ASN A 142 12.069 -8.130 8.040 1.00 4.03 C ATOM 2258 C ASN A 142 10.556 -7.951 7.963 1.00 0.34 C ATOM 2259 O ASN A 142 9.862 -8.023 8.973 1.00 71.43 O ATOM 2260 CB ASN A 142 12.733 -6.746 7.876 1.00 53.12 C ATOM 2261 CG ASN A 142 14.223 -6.723 8.187 1.00 41.12 C ATOM 2262 OD1 ASN A 142 14.718 -7.507 8.987 1.00 64.31 O ATOM 2263 ND2 ASN A 142 15.002 -5.838 7.593 1.00 74.52 N ATOM 0 H ASN A 142 13.247 -8.676 6.418 1.00 34.54 H new ATOM 0 HA ASN A 142 12.349 -8.547 9.007 1.00 4.03 H new ATOM 0 HB2 ASN A 142 12.583 -6.403 6.852 1.00 53.12 H new ATOM 0 HB3 ASN A 142 12.227 -6.034 8.528 1.00 53.12 H new ATOM 0 HD21 ASN A 142 16.000 -5.815 7.803 1.00 74.52 H new ATOM 0 HD22 ASN A 142 14.606 -5.178 6.924 1.00 74.52 H new ATOM 2270 N VAL A 143 10.013 -7.734 6.762 1.00 13.14 N ATOM 2271 CA VAL A 143 8.595 -7.406 6.590 1.00 14.12 C ATOM 2272 C VAL A 143 7.672 -8.536 7.059 1.00 53.21 C ATOM 2273 O VAL A 143 6.547 -8.286 7.491 1.00 15.42 O ATOM 2274 CB VAL A 143 8.359 -6.960 5.131 1.00 44.31 C ATOM 2275 CG1 VAL A 143 6.888 -6.962 4.701 1.00 14.43 C ATOM 2276 CG2 VAL A 143 8.867 -5.517 4.977 1.00 33.23 C ATOM 0 H VAL A 143 10.538 -7.780 5.889 1.00 13.14 H new ATOM 0 HA VAL A 143 8.331 -6.571 7.238 1.00 14.12 H new ATOM 0 HB VAL A 143 8.888 -7.679 4.505 1.00 44.31 H new ATOM 0 HG11 VAL A 143 6.812 -6.636 3.664 1.00 14.43 H new ATOM 0 HG12 VAL A 143 6.483 -7.969 4.796 1.00 14.43 H new ATOM 0 HG13 VAL A 143 6.322 -6.282 5.337 1.00 14.43 H new ATOM 0 HG21 VAL A 143 8.709 -5.183 3.952 1.00 33.23 H new ATOM 0 HG22 VAL A 143 8.322 -4.865 5.659 1.00 33.23 H new ATOM 0 HG23 VAL A 143 9.931 -5.479 5.211 1.00 33.23 H new ATOM 2286 N LYS A 144 8.121 -9.792 7.016 1.00 15.33 N ATOM 2287 CA LYS A 144 7.339 -10.880 7.596 1.00 11.21 C ATOM 2288 C LYS A 144 7.208 -10.731 9.108 1.00 33.14 C ATOM 2289 O LYS A 144 6.182 -11.154 9.641 1.00 75.13 O ATOM 2290 CB LYS A 144 7.995 -12.224 7.289 1.00 75.43 C ATOM 2291 CG LYS A 144 7.647 -12.727 5.886 1.00 72.21 C ATOM 2292 CD LYS A 144 8.573 -13.897 5.556 1.00 24.41 C ATOM 2293 CE LYS A 144 9.880 -13.350 4.979 1.00 44.32 C ATOM 2294 NZ LYS A 144 9.786 -13.232 3.515 1.00 40.43 N ATOM 0 H LYS A 144 9.005 -10.076 6.594 1.00 15.33 H new ATOM 0 HA LYS A 144 6.345 -10.838 7.151 1.00 11.21 H new ATOM 0 HB2 LYS A 144 9.077 -12.128 7.381 1.00 75.43 H new ATOM 0 HB3 LYS A 144 7.676 -12.960 8.027 1.00 75.43 H new ATOM 0 HG2 LYS A 144 6.605 -13.043 5.843 1.00 72.21 H new ATOM 0 HG3 LYS A 144 7.768 -11.928 5.155 1.00 72.21 H new ATOM 0 HD2 LYS A 144 8.774 -14.483 6.453 1.00 24.41 H new ATOM 0 HD3 LYS A 144 8.095 -14.565 4.839 1.00 24.41 H new ATOM 0 HE2 LYS A 144 10.097 -12.375 5.415 1.00 44.32 H new ATOM 0 HE3 LYS A 144 10.706 -14.010 5.245 1.00 44.32 H new ATOM 0 HZ1 LYS A 144 10.729 -13.040 3.121 1.00 40.43 H new ATOM 0 HZ2 LYS A 144 9.419 -14.120 3.118 1.00 40.43 H new ATOM 0 HZ3 LYS A 144 9.143 -12.452 3.270 1.00 40.43 H new ATOM 2308 N GLU A 145 8.230 -10.221 9.783 1.00 52.20 N ATOM 2309 CA GLU A 145 8.320 -10.199 11.237 1.00 2.24 C ATOM 2310 C GLU A 145 7.355 -9.135 11.764 1.00 41.34 C ATOM 2311 O GLU A 145 6.598 -9.382 12.700 1.00 53.43 O ATOM 2312 CB GLU A 145 9.788 -9.987 11.673 1.00 13.44 C ATOM 2313 CG GLU A 145 10.721 -10.916 10.873 1.00 44.24 C ATOM 2314 CD GLU A 145 12.112 -11.131 11.468 1.00 22.23 C ATOM 2315 OE1 GLU A 145 13.035 -10.375 11.086 1.00 4.21 O ATOM 2316 OE2 GLU A 145 12.302 -12.127 12.208 1.00 31.41 O ATOM 0 H GLU A 145 9.038 -9.801 9.324 1.00 52.20 H new ATOM 0 HA GLU A 145 8.020 -11.153 11.671 1.00 2.24 H new ATOM 0 HB2 GLU A 145 10.075 -8.947 11.515 1.00 13.44 H new ATOM 0 HB3 GLU A 145 9.891 -10.187 12.739 1.00 13.44 H new ATOM 0 HG2 GLU A 145 10.236 -11.887 10.770 1.00 44.24 H new ATOM 0 HG3 GLU A 145 10.835 -10.509 9.868 1.00 44.24 H new ATOM 2323 N GLU A 146 7.279 -7.995 11.076 1.00 35.02 N ATOM 2324 CA GLU A 146 6.266 -6.972 11.296 1.00 15.43 C ATOM 2325 C GLU A 146 4.879 -7.559 11.042 1.00 51.33 C ATOM 2326 O GLU A 146 4.032 -7.576 11.932 1.00 73.11 O ATOM 2327 CB GLU A 146 6.561 -5.783 10.384 1.00 41.21 C ATOM 2328 CG GLU A 146 7.997 -5.278 10.545 1.00 44.10 C ATOM 2329 CD GLU A 146 8.374 -4.934 11.993 1.00 72.40 C ATOM 2330 OE1 GLU A 146 8.081 -3.799 12.432 1.00 63.32 O ATOM 2331 OE2 GLU A 146 8.989 -5.773 12.692 1.00 32.44 O ATOM 0 H GLU A 146 7.937 -7.756 10.334 1.00 35.02 H new ATOM 0 HA GLU A 146 6.288 -6.624 12.329 1.00 15.43 H new ATOM 0 HB2 GLU A 146 6.393 -6.072 9.346 1.00 41.21 H new ATOM 0 HB3 GLU A 146 5.865 -4.974 10.607 1.00 41.21 H new ATOM 0 HG2 GLU A 146 8.683 -6.038 10.171 1.00 44.10 H new ATOM 0 HG3 GLU A 146 8.133 -4.393 9.924 1.00 44.10 H new ATOM 2338 N ASN A 147 4.675 -8.143 9.853 1.00 51.20 N ATOM 2339 CA ASN A 147 3.390 -8.719 9.466 1.00 23.13 C ATOM 2340 C ASN A 147 2.892 -9.737 10.487 1.00 75.04 C ATOM 2341 O ASN A 147 1.685 -9.940 10.583 1.00 1.12 O ATOM 2342 CB ASN A 147 3.480 -9.442 8.111 1.00 51.14 C ATOM 2343 CG ASN A 147 3.475 -8.523 6.901 1.00 23.44 C ATOM 2344 OD1 ASN A 147 3.054 -7.381 6.948 1.00 55.53 O ATOM 2345 ND2 ASN A 147 3.863 -9.041 5.748 1.00 34.12 N ATOM 0 H ASN A 147 5.397 -8.227 9.138 1.00 51.20 H new ATOM 0 HA ASN A 147 2.698 -7.879 9.405 1.00 23.13 H new ATOM 0 HB2 ASN A 147 4.391 -10.040 8.093 1.00 51.14 H new ATOM 0 HB3 ASN A 147 2.643 -10.135 8.028 1.00 51.14 H new ATOM 0 HD21 ASN A 147 3.810 -8.484 4.895 1.00 34.12 H new ATOM 0 HD22 ASN A 147 4.215 -9.998 5.711 1.00 34.12 H new ATOM 2352 N ALA A 148 3.780 -10.452 11.186 1.00 41.54 N ATOM 2353 CA ALA A 148 3.389 -11.446 12.172 1.00 33.15 C ATOM 2354 C ALA A 148 2.585 -10.813 13.300 1.00 53.44 C ATOM 2355 O ALA A 148 1.601 -11.419 13.714 1.00 51.51 O ATOM 2356 CB ALA A 148 4.623 -12.138 12.758 1.00 20.12 C ATOM 0 H ALA A 148 4.789 -10.352 11.079 1.00 41.54 H new ATOM 0 HA ALA A 148 2.766 -12.183 11.665 1.00 33.15 H new ATOM 0 HB1 ALA A 148 4.310 -12.878 13.494 1.00 20.12 H new ATOM 0 HB2 ALA A 148 5.177 -12.632 11.960 1.00 20.12 H new ATOM 0 HB3 ALA A 148 5.262 -11.397 13.238 1.00 20.12 H new ATOM 2362 N ALA A 149 2.968 -9.624 13.767 1.00 3.21 N ATOM 2363 CA ALA A 149 2.251 -8.930 14.822 1.00 55.40 C ATOM 2364 C ALA A 149 0.840 -8.589 14.363 1.00 55.42 C ATOM 2365 O ALA A 149 -0.124 -8.892 15.063 1.00 33.32 O ATOM 2366 CB ALA A 149 3.023 -7.679 15.227 1.00 0.54 C ATOM 0 H ALA A 149 3.785 -9.120 13.421 1.00 3.21 H new ATOM 0 HA ALA A 149 2.167 -9.578 15.694 1.00 55.40 H new ATOM 0 HB1 ALA A 149 2.484 -7.159 16.019 1.00 0.54 H new ATOM 0 HB2 ALA A 149 4.012 -7.962 15.587 1.00 0.54 H new ATOM 0 HB3 ALA A 149 3.126 -7.020 14.365 1.00 0.54 H new ATOM 2372 N PHE A 150 0.706 -8.033 13.158 1.00 4.43 N ATOM 2373 CA PHE A 150 -0.601 -7.776 12.582 1.00 61.25 C ATOM 2374 C PHE A 150 -1.419 -9.072 12.505 1.00 63.03 C ATOM 2375 O PHE A 150 -2.525 -9.133 13.038 1.00 14.22 O ATOM 2376 CB PHE A 150 -0.449 -7.109 11.216 1.00 41.31 C ATOM 2377 CG PHE A 150 -1.790 -6.718 10.634 1.00 4.43 C ATOM 2378 CD1 PHE A 150 -2.628 -7.678 10.044 1.00 21.24 C ATOM 2379 CD2 PHE A 150 -2.244 -5.401 10.771 1.00 71.43 C ATOM 2380 CE1 PHE A 150 -3.910 -7.328 9.596 1.00 64.02 C ATOM 2381 CE2 PHE A 150 -3.518 -5.043 10.308 1.00 31.42 C ATOM 2382 CZ PHE A 150 -4.357 -6.002 9.716 1.00 73.35 C ATOM 0 H PHE A 150 1.490 -7.755 12.568 1.00 4.43 H new ATOM 0 HA PHE A 150 -1.150 -7.088 13.225 1.00 61.25 H new ATOM 0 HB2 PHE A 150 0.179 -6.223 11.311 1.00 41.31 H new ATOM 0 HB3 PHE A 150 0.060 -7.789 10.533 1.00 41.31 H new ATOM 0 HD1 PHE A 150 -2.282 -8.695 9.934 1.00 21.24 H new ATOM 0 HD2 PHE A 150 -1.611 -4.659 11.235 1.00 71.43 H new ATOM 0 HE1 PHE A 150 -4.553 -8.078 9.159 1.00 64.02 H new ATOM 0 HE2 PHE A 150 -3.857 -4.022 10.407 1.00 31.42 H new ATOM 0 HZ PHE A 150 -5.336 -5.722 9.357 1.00 73.35 H new ATOM 2392 N LYS A 151 -0.892 -10.121 11.854 1.00 42.31 N ATOM 2393 CA LYS A 151 -1.565 -11.421 11.737 1.00 55.53 C ATOM 2394 C LYS A 151 -1.938 -12.024 13.093 1.00 11.35 C ATOM 2395 O LYS A 151 -2.842 -12.856 13.149 1.00 71.43 O ATOM 2396 CB LYS A 151 -0.654 -12.443 11.044 1.00 61.42 C ATOM 2397 CG LYS A 151 -0.387 -12.209 9.559 1.00 14.42 C ATOM 2398 CD LYS A 151 0.531 -13.292 8.975 1.00 12.23 C ATOM 2399 CE LYS A 151 1.958 -12.861 9.211 1.00 73.03 C ATOM 2400 NZ LYS A 151 2.765 -13.901 9.894 1.00 24.21 N ATOM 0 H LYS A 151 0.017 -10.089 11.392 1.00 42.31 H new ATOM 0 HA LYS A 151 -2.470 -11.225 11.161 1.00 55.53 H new ATOM 0 HB2 LYS A 151 0.303 -12.459 11.566 1.00 61.42 H new ATOM 0 HB3 LYS A 151 -1.097 -13.432 11.161 1.00 61.42 H new ATOM 0 HG2 LYS A 151 -1.332 -12.200 9.015 1.00 14.42 H new ATOM 0 HG3 LYS A 151 0.070 -11.229 9.420 1.00 14.42 H new ATOM 0 HD2 LYS A 151 0.338 -14.254 9.451 1.00 12.23 H new ATOM 0 HD3 LYS A 151 0.342 -13.420 7.909 1.00 12.23 H new ATOM 0 HE2 LYS A 151 2.422 -12.616 8.255 1.00 73.03 H new ATOM 0 HE3 LYS A 151 1.964 -11.951 9.810 1.00 73.03 H new ATOM 0 HZ1 LYS A 151 3.626 -13.470 10.286 1.00 24.21 H new ATOM 0 HZ2 LYS A 151 2.207 -14.323 10.664 1.00 24.21 H new ATOM 0 HZ3 LYS A 151 3.028 -14.640 9.211 1.00 24.21 H new ATOM 2414 N GLU A 152 -1.205 -11.702 14.155 1.00 62.21 N ATOM 2415 CA GLU A 152 -1.465 -12.206 15.499 1.00 41.22 C ATOM 2416 C GLU A 152 -2.837 -11.707 15.963 1.00 43.44 C ATOM 2417 O GLU A 152 -3.671 -12.495 16.416 1.00 61.01 O ATOM 2418 CB GLU A 152 -0.338 -11.769 16.453 1.00 12.51 C ATOM 2419 CG GLU A 152 -0.331 -12.545 17.771 1.00 52.54 C ATOM 2420 CD GLU A 152 0.821 -12.102 18.679 1.00 43.34 C ATOM 2421 OE1 GLU A 152 1.998 -12.095 18.247 1.00 53.31 O ATOM 2422 OE2 GLU A 152 0.567 -11.768 19.857 1.00 54.40 O ATOM 0 H GLU A 152 -0.402 -11.075 14.105 1.00 62.21 H new ATOM 0 HA GLU A 152 -1.482 -13.296 15.498 1.00 41.22 H new ATOM 0 HB2 GLU A 152 0.623 -11.902 15.955 1.00 12.51 H new ATOM 0 HB3 GLU A 152 -0.443 -10.705 16.666 1.00 12.51 H new ATOM 0 HG2 GLU A 152 -1.280 -12.396 18.287 1.00 52.54 H new ATOM 0 HG3 GLU A 152 -0.244 -13.612 17.566 1.00 52.54 H new ATOM 2429 N ILE A 153 -3.075 -10.401 15.832 1.00 60.43 N ATOM 2430 CA ILE A 153 -4.297 -9.720 16.246 1.00 62.15 C ATOM 2431 C ILE A 153 -5.404 -9.993 15.225 1.00 31.34 C ATOM 2432 O ILE A 153 -6.531 -10.323 15.612 1.00 0.20 O ATOM 2433 CB ILE A 153 -4.028 -8.207 16.350 1.00 34.24 C ATOM 2434 CG1 ILE A 153 -2.839 -7.903 17.296 1.00 13.54 C ATOM 2435 CG2 ILE A 153 -5.283 -7.455 16.835 1.00 55.54 C ATOM 2436 CD1 ILE A 153 -2.412 -6.434 17.309 1.00 15.53 C ATOM 0 H ILE A 153 -2.393 -9.766 15.418 1.00 60.43 H new ATOM 0 HA ILE A 153 -4.616 -10.092 17.220 1.00 62.15 H new ATOM 0 HB ILE A 153 -3.770 -7.859 15.350 1.00 34.24 H new ATOM 0 HG12 ILE A 153 -3.109 -8.201 18.309 1.00 13.54 H new ATOM 0 HG13 ILE A 153 -1.987 -8.515 17.000 1.00 13.54 H new ATOM 0 HG21 ILE A 153 -5.066 -6.389 16.900 1.00 55.54 H new ATOM 0 HG22 ILE A 153 -6.099 -7.617 16.131 1.00 55.54 H new ATOM 0 HG23 ILE A 153 -5.573 -7.827 17.818 1.00 55.54 H new ATOM 0 HD11 ILE A 153 -1.575 -6.304 17.995 1.00 15.53 H new ATOM 0 HD12 ILE A 153 -2.109 -6.134 16.306 1.00 15.53 H new ATOM 0 HD13 ILE A 153 -3.248 -5.815 17.635 1.00 15.53 H new ATOM 2448 N HIS A 154 -5.093 -9.835 13.939 1.00 21.04 N ATOM 2449 CA HIS A 154 -6.010 -9.830 12.814 1.00 14.10 C ATOM 2450 C HIS A 154 -5.580 -10.905 11.806 1.00 23.03 C ATOM 2451 O HIS A 154 -5.045 -10.575 10.748 1.00 74.31 O ATOM 2452 CB HIS A 154 -6.027 -8.424 12.197 1.00 41.31 C ATOM 2453 CG HIS A 154 -6.723 -7.367 13.016 1.00 13.50 C ATOM 2454 ND1 HIS A 154 -7.752 -7.552 13.918 1.00 34.14 N ATOM 2455 CD2 HIS A 154 -6.478 -6.023 12.934 1.00 53.32 C ATOM 2456 CE1 HIS A 154 -8.119 -6.341 14.366 1.00 24.12 C ATOM 2457 NE2 HIS A 154 -7.387 -5.382 13.780 1.00 13.34 N ATOM 0 H HIS A 154 -4.127 -9.698 13.642 1.00 21.04 H new ATOM 0 HA HIS A 154 -7.025 -10.069 13.133 1.00 14.10 H new ATOM 0 HB2 HIS A 154 -4.998 -8.108 12.026 1.00 41.31 H new ATOM 0 HB3 HIS A 154 -6.509 -8.480 11.221 1.00 41.31 H new ATOM 0 HD2 HIS A 154 -5.722 -5.546 12.328 1.00 53.32 H new ATOM 0 HE1 HIS A 154 -8.895 -6.164 15.096 1.00 24.12 H new ATOM 0 HE2 HIS A 154 -7.477 -4.376 13.924 1.00 13.34 H new ATOM 2465 N PRO A 155 -5.810 -12.191 12.108 1.00 4.41 N ATOM 2466 CA PRO A 155 -5.539 -13.303 11.202 1.00 21.41 C ATOM 2467 C PRO A 155 -6.534 -13.354 10.036 1.00 61.23 C ATOM 2468 O PRO A 155 -6.492 -14.333 9.262 1.00 35.34 O ATOM 2469 CB PRO A 155 -5.602 -14.550 12.094 1.00 21.32 C ATOM 2470 CG PRO A 155 -6.552 -14.159 13.220 1.00 14.45 C ATOM 2471 CD PRO A 155 -6.310 -12.664 13.387 1.00 55.44 C ATOM 0 HA PRO A 155 -4.569 -13.210 10.713 1.00 21.41 H new ATOM 0 HB2 PRO A 155 -5.972 -15.415 11.543 1.00 21.32 H new ATOM 0 HB3 PRO A 155 -4.617 -14.815 12.478 1.00 21.32 H new ATOM 0 HG2 PRO A 155 -7.589 -14.371 12.962 1.00 14.45 H new ATOM 0 HG3 PRO A 155 -6.334 -14.706 14.137 1.00 14.45 H new ATOM 0 HD2 PRO A 155 -7.231 -12.148 13.660 1.00 55.44 H new ATOM 0 HD3 PRO A 155 -5.589 -12.472 14.182 1.00 55.44 H new TER 2479 PRO A 155