USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=37 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= 0.491 K(o=1.2,f=-0.28) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.687 K(o=1.2,f=-0.6) USER MOD Set 2.1: A 40 THR OG1 : rot 164:sc= 0.597 USER MOD Set 2.2: A 129 TYR OH : rot 180:sc= 0.533 USER MOD Set 3.1: A 116 LYS NZ :NH3+ 149:sc= 0.0814 (180deg=0) USER MOD Set 3.2: A 118 TYR OH : rot 180:sc= 0.0773 USER MOD Set 4.1: A 32 LYS NZ :NH3+ 166:sc= 0.629 (180deg=0) USER MOD Set 4.2: A 112 GLN : amide:sc=-0.00117 K(o=0.63,f=-4.3) USER MOD Set 5.1: A 21 THR OG1 : rot -75:sc= 0.419 USER MOD Set 5.2: A 22 SER OG : rot -69:sc= 0.537 USER MOD Set 5.3: A 154 HIS : no HD1:sc= -1.06 K(o=-0.11,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 0.11 (180deg=0) USER MOD Single : A 3 SER OG : rot 36:sc= 1.07 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0879 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 65:sc= 1.23 USER MOD Single : A 27 GLN : amide:sc= 0.454 K(o=0.45,f=-5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -37:sc= 0.182 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0343 USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000863 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.14) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 66 THR OG1 : rot -170:sc= 0.0357 USER MOD Single : A 67 MET CE :methyl -172:sc= -0.329 (180deg=-0.397) USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= 0.103 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00525 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.212 K(o=-0.21,f=0.45) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.34) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 142:sc= 0.635 USER MOD Single : A 123 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 124 THR OG1 : rot 150:sc= 0.329 USER MOD Single : A 127 TYR OH : rot -175:sc= -0.434 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00422 USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -133:sc= -0.0227 (180deg=-0.21) USER MOD Single : A 147 ASN : amide:sc= 0.432 K(o=0.43,f=-9.3!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.166 -4.668 -17.776 1.00 25.31 N ATOM 2 CA GLY A 1 -14.727 -3.883 -16.678 1.00 65.52 C ATOM 3 C GLY A 1 -14.963 -4.792 -15.497 1.00 43.24 C ATOM 4 O GLY A 1 -15.239 -5.977 -15.682 1.00 54.22 O ATOM 0 H1 GLY A 1 -14.705 -4.482 -18.646 1.00 25.31 H new ATOM 0 H2 GLY A 1 -13.171 -4.401 -17.921 1.00 25.31 H new ATOM 0 H3 GLY A 1 -14.222 -5.680 -17.543 1.00 25.31 H new ATOM 0 HA2 GLY A 1 -14.045 -3.078 -16.404 1.00 65.52 H new ATOM 0 HA3 GLY A 1 -15.662 -3.417 -16.988 1.00 65.52 H new ATOM 8 N ASP A 2 -14.823 -4.244 -14.296 1.00 42.32 N ATOM 9 CA ASP A 2 -15.011 -4.952 -13.030 1.00 21.41 C ATOM 10 C ASP A 2 -15.937 -4.128 -12.112 1.00 34.35 C ATOM 11 O ASP A 2 -16.192 -4.494 -10.968 1.00 2.13 O ATOM 12 CB ASP A 2 -13.630 -5.270 -12.406 1.00 71.50 C ATOM 13 CG ASP A 2 -13.266 -6.762 -12.458 1.00 62.44 C ATOM 14 OD1 ASP A 2 -13.981 -7.587 -11.854 1.00 32.22 O ATOM 15 OD2 ASP A 2 -12.241 -7.124 -13.087 1.00 33.51 O ATOM 0 H ASP A 2 -14.568 -3.265 -14.169 1.00 42.32 H new ATOM 0 HA ASP A 2 -15.506 -5.910 -13.186 1.00 21.41 H new ATOM 0 HB2 ASP A 2 -12.863 -4.698 -12.928 1.00 71.50 H new ATOM 0 HB3 ASP A 2 -13.623 -4.938 -11.368 1.00 71.50 H new ATOM 20 N SER A 3 -16.450 -2.992 -12.592 1.00 50.01 N ATOM 21 CA SER A 3 -17.371 -2.078 -11.928 1.00 2.22 C ATOM 22 C SER A 3 -17.894 -1.073 -12.958 1.00 34.22 C ATOM 23 O SER A 3 -17.270 -0.888 -14.011 1.00 13.35 O ATOM 24 CB SER A 3 -16.626 -1.320 -10.822 1.00 71.32 C ATOM 25 OG SER A 3 -16.536 -2.098 -9.649 1.00 32.11 O ATOM 0 H SER A 3 -16.211 -2.666 -13.528 1.00 50.01 H new ATOM 0 HA SER A 3 -18.200 -2.637 -11.493 1.00 2.22 H new ATOM 0 HB2 SER A 3 -15.626 -1.058 -11.166 1.00 71.32 H new ATOM 0 HB3 SER A 3 -17.144 -0.386 -10.604 1.00 71.32 H new ATOM 0 HG SER A 3 -16.422 -3.041 -9.890 1.00 32.11 H new ATOM 31 N GLU A 4 -18.989 -0.380 -12.642 1.00 5.43 N ATOM 32 CA GLU A 4 -19.481 0.762 -13.392 1.00 5.41 C ATOM 33 C GLU A 4 -20.148 1.713 -12.399 1.00 62.42 C ATOM 34 O GLU A 4 -21.300 1.516 -12.014 1.00 70.25 O ATOM 35 CB GLU A 4 -20.431 0.318 -14.517 1.00 71.13 C ATOM 36 CG GLU A 4 -20.893 1.492 -15.400 1.00 3.44 C ATOM 37 CD GLU A 4 -21.979 1.087 -16.401 1.00 52.33 C ATOM 38 OE1 GLU A 4 -21.840 0.036 -17.074 1.00 43.01 O ATOM 39 OE2 GLU A 4 -22.967 1.845 -16.550 1.00 54.12 O ATOM 0 H GLU A 4 -19.569 -0.609 -11.835 1.00 5.43 H new ATOM 0 HA GLU A 4 -18.662 1.281 -13.890 1.00 5.41 H new ATOM 0 HB2 GLU A 4 -19.930 -0.424 -15.139 1.00 71.13 H new ATOM 0 HB3 GLU A 4 -21.303 -0.168 -14.080 1.00 71.13 H new ATOM 0 HG2 GLU A 4 -21.271 2.293 -14.764 1.00 3.44 H new ATOM 0 HG3 GLU A 4 -20.036 1.893 -15.942 1.00 3.44 H new ATOM 46 N LEU A 5 -19.422 2.766 -12.011 1.00 71.54 N ATOM 47 CA LEU A 5 -19.958 3.875 -11.231 1.00 31.23 C ATOM 48 C LEU A 5 -20.600 3.401 -9.914 1.00 2.03 C ATOM 49 O LEU A 5 -20.100 2.463 -9.287 1.00 62.21 O ATOM 50 CB LEU A 5 -20.830 4.777 -12.132 1.00 54.24 C ATOM 51 CG LEU A 5 -20.600 6.273 -11.842 1.00 70.52 C ATOM 52 CD1 LEU A 5 -19.266 6.732 -12.449 1.00 21.34 C ATOM 53 CD2 LEU A 5 -21.723 7.119 -12.444 1.00 32.10 C ATOM 0 H LEU A 5 -18.432 2.869 -12.235 1.00 71.54 H new ATOM 0 HA LEU A 5 -19.147 4.515 -10.883 1.00 31.23 H new ATOM 0 HB2 LEU A 5 -20.605 4.571 -13.178 1.00 54.24 H new ATOM 0 HB3 LEU A 5 -21.882 4.535 -11.979 1.00 54.24 H new ATOM 0 HG LEU A 5 -20.584 6.404 -10.760 1.00 70.52 H new ATOM 0 HD11 LEU A 5 -19.115 7.791 -12.237 1.00 21.34 H new ATOM 0 HD12 LEU A 5 -18.450 6.155 -12.013 1.00 21.34 H new ATOM 0 HD13 LEU A 5 -19.285 6.577 -13.528 1.00 21.34 H new ATOM 0 HD21 LEU A 5 -21.541 8.172 -12.228 1.00 32.10 H new ATOM 0 HD22 LEU A 5 -21.752 6.970 -13.523 1.00 32.10 H new ATOM 0 HD23 LEU A 5 -22.677 6.819 -12.010 1.00 32.10 H new ATOM 65 N THR A 6 -21.560 4.152 -9.368 1.00 72.15 N ATOM 66 CA THR A 6 -22.169 3.846 -8.083 1.00 23.52 C ATOM 67 C THR A 6 -23.331 2.891 -8.373 1.00 13.44 C ATOM 68 O THR A 6 -24.299 3.270 -9.029 1.00 22.50 O ATOM 69 CB THR A 6 -22.496 5.159 -7.340 1.00 41.35 C ATOM 70 OG1 THR A 6 -22.750 4.941 -5.966 1.00 52.25 O ATOM 71 CG2 THR A 6 -23.594 6.047 -7.928 1.00 30.40 C ATOM 0 H THR A 6 -21.934 4.991 -9.811 1.00 72.15 H new ATOM 0 HA THR A 6 -21.515 3.327 -7.382 1.00 23.52 H new ATOM 0 HB THR A 6 -21.577 5.728 -7.482 1.00 41.35 H new ATOM 0 HG1 THR A 6 -22.951 5.796 -5.531 1.00 52.25 H new ATOM 0 HG21 THR A 6 -23.717 6.933 -7.306 1.00 30.40 H new ATOM 0 HG22 THR A 6 -23.316 6.349 -8.938 1.00 30.40 H new ATOM 0 HG23 THR A 6 -24.532 5.493 -7.960 1.00 30.40 H new ATOM 79 N THR A 7 -23.188 1.631 -7.970 1.00 64.54 N ATOM 80 CA THR A 7 -24.081 0.553 -8.365 1.00 25.24 C ATOM 81 C THR A 7 -24.252 -0.437 -7.199 1.00 51.01 C ATOM 82 O THR A 7 -23.753 -0.229 -6.082 1.00 24.30 O ATOM 83 CB THR A 7 -23.567 -0.047 -9.700 1.00 70.55 C ATOM 84 OG1 THR A 7 -24.428 -1.066 -10.170 1.00 23.12 O ATOM 85 CG2 THR A 7 -22.135 -0.591 -9.640 1.00 53.21 C ATOM 0 H THR A 7 -22.436 1.329 -7.351 1.00 64.54 H new ATOM 0 HA THR A 7 -25.093 0.903 -8.569 1.00 25.24 H new ATOM 0 HB THR A 7 -23.560 0.794 -10.393 1.00 70.55 H new ATOM 0 HG1 THR A 7 -24.081 -1.425 -11.013 1.00 23.12 H new ATOM 0 HG21 THR A 7 -21.857 -0.991 -10.615 1.00 53.21 H new ATOM 0 HG22 THR A 7 -21.451 0.214 -9.369 1.00 53.21 H new ATOM 0 HG23 THR A 7 -22.078 -1.383 -8.893 1.00 53.21 H new ATOM 93 N GLN A 8 -25.046 -1.474 -7.442 1.00 54.31 N ATOM 94 CA GLN A 8 -25.246 -2.664 -6.625 1.00 73.25 C ATOM 95 C GLN A 8 -24.168 -3.709 -6.966 1.00 2.21 C ATOM 96 O GLN A 8 -23.309 -3.437 -7.805 1.00 53.15 O ATOM 97 CB GLN A 8 -26.697 -3.146 -6.844 1.00 33.52 C ATOM 98 CG GLN A 8 -27.078 -3.504 -8.292 1.00 24.50 C ATOM 99 CD GLN A 8 -28.595 -3.606 -8.473 1.00 3.13 C ATOM 100 OE1 GLN A 8 -29.334 -2.671 -8.174 1.00 42.32 O ATOM 101 NE2 GLN A 8 -29.106 -4.716 -8.970 1.00 54.35 N ATOM 0 H GLN A 8 -25.615 -1.505 -8.288 1.00 54.31 H new ATOM 0 HA GLN A 8 -25.128 -2.463 -5.560 1.00 73.25 H new ATOM 0 HB2 GLN A 8 -26.866 -4.022 -6.218 1.00 33.52 H new ATOM 0 HB3 GLN A 8 -27.374 -2.367 -6.493 1.00 33.52 H new ATOM 0 HG2 GLN A 8 -26.681 -2.748 -8.970 1.00 24.50 H new ATOM 0 HG3 GLN A 8 -26.615 -4.452 -8.566 1.00 24.50 H new ATOM 0 HE21 GLN A 8 -28.493 -5.493 -9.219 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -30.114 -4.797 -9.106 1.00 54.35 H new ATOM 110 N ASP A 9 -24.214 -4.874 -6.312 1.00 2.22 N ATOM 111 CA ASP A 9 -23.262 -5.992 -6.393 1.00 72.45 C ATOM 112 C ASP A 9 -21.901 -5.652 -5.795 1.00 44.11 C ATOM 113 O ASP A 9 -21.001 -5.156 -6.474 1.00 23.34 O ATOM 114 CB ASP A 9 -23.128 -6.581 -7.801 1.00 43.41 C ATOM 115 CG ASP A 9 -22.209 -7.805 -7.799 1.00 23.52 C ATOM 116 OD1 ASP A 9 -22.316 -8.644 -6.872 1.00 53.03 O ATOM 117 OD2 ASP A 9 -21.490 -8.050 -8.791 1.00 2.04 O ATOM 0 H ASP A 9 -24.974 -5.078 -5.663 1.00 2.22 H new ATOM 0 HA ASP A 9 -23.698 -6.777 -5.775 1.00 72.45 H new ATOM 0 HB2 ASP A 9 -24.112 -6.861 -8.177 1.00 43.41 H new ATOM 0 HB3 ASP A 9 -22.731 -5.825 -8.479 1.00 43.41 H new ATOM 122 N GLY A 10 -21.741 -5.898 -4.497 1.00 33.53 N ATOM 123 CA GLY A 10 -20.481 -5.666 -3.819 1.00 71.12 C ATOM 124 C GLY A 10 -20.588 -5.841 -2.314 1.00 50.11 C ATOM 125 O GLY A 10 -21.583 -5.470 -1.690 1.00 44.01 O ATOM 0 H GLY A 10 -22.479 -6.261 -3.894 1.00 33.53 H new ATOM 0 HA2 GLY A 10 -19.731 -6.354 -4.209 1.00 71.12 H new ATOM 0 HA3 GLY A 10 -20.134 -4.657 -4.040 1.00 71.12 H new ATOM 129 N GLU A 11 -19.523 -6.368 -1.734 1.00 32.21 N ATOM 130 CA GLU A 11 -19.204 -6.353 -0.315 1.00 53.21 C ATOM 131 C GLU A 11 -19.196 -4.899 0.188 1.00 4.02 C ATOM 132 O GLU A 11 -18.894 -3.964 -0.567 1.00 74.31 O ATOM 133 CB GLU A 11 -17.832 -7.038 -0.200 1.00 42.04 C ATOM 134 CG GLU A 11 -17.102 -6.938 1.137 1.00 33.12 C ATOM 135 CD GLU A 11 -15.742 -7.648 1.092 1.00 23.25 C ATOM 136 OE1 GLU A 11 -14.968 -7.489 0.113 1.00 71.20 O ATOM 137 OE2 GLU A 11 -15.425 -8.344 2.081 1.00 1.21 O ATOM 0 H GLU A 11 -18.809 -6.851 -2.279 1.00 32.21 H new ATOM 0 HA GLU A 11 -19.933 -6.879 0.302 1.00 53.21 H new ATOM 0 HB2 GLU A 11 -17.964 -8.095 -0.433 1.00 42.04 H new ATOM 0 HB3 GLU A 11 -17.183 -6.621 -0.969 1.00 42.04 H new ATOM 0 HG2 GLU A 11 -16.957 -5.889 1.396 1.00 33.12 H new ATOM 0 HG3 GLU A 11 -17.717 -7.378 1.922 1.00 33.12 H new ATOM 144 N ASP A 12 -19.519 -4.703 1.465 1.00 11.43 N ATOM 145 CA ASP A 12 -19.579 -3.385 2.095 1.00 30.45 C ATOM 146 C ASP A 12 -18.196 -2.745 2.121 1.00 30.12 C ATOM 147 O ASP A 12 -17.182 -3.421 2.331 1.00 10.34 O ATOM 148 CB ASP A 12 -20.095 -3.457 3.541 1.00 33.14 C ATOM 149 CG ASP A 12 -20.626 -2.103 4.005 1.00 24.53 C ATOM 150 OD1 ASP A 12 -21.829 -1.818 3.816 1.00 61.34 O ATOM 151 OD2 ASP A 12 -19.791 -1.326 4.519 1.00 70.52 O ATOM 0 H ASP A 12 -19.750 -5.467 2.101 1.00 11.43 H new ATOM 0 HA ASP A 12 -20.271 -2.789 1.500 1.00 30.45 H new ATOM 0 HB2 ASP A 12 -20.886 -4.204 3.611 1.00 33.14 H new ATOM 0 HB3 ASP A 12 -19.291 -3.781 4.201 1.00 33.14 H new ATOM 156 N PHE A 13 -18.152 -1.420 2.013 1.00 71.10 N ATOM 157 CA PHE A 13 -16.922 -0.654 2.127 1.00 12.12 C ATOM 158 C PHE A 13 -16.238 -0.836 3.483 1.00 45.22 C ATOM 159 O PHE A 13 -15.018 -0.702 3.574 1.00 73.10 O ATOM 160 CB PHE A 13 -17.208 0.828 1.875 1.00 51.32 C ATOM 161 CG PHE A 13 -18.277 1.445 2.763 1.00 63.54 C ATOM 162 CD1 PHE A 13 -19.645 1.334 2.439 1.00 32.10 C ATOM 163 CD2 PHE A 13 -17.897 2.119 3.936 1.00 23.14 C ATOM 164 CE1 PHE A 13 -20.619 1.898 3.281 1.00 51.15 C ATOM 165 CE2 PHE A 13 -18.872 2.685 4.773 1.00 22.53 C ATOM 166 CZ PHE A 13 -20.234 2.581 4.445 1.00 50.31 C ATOM 0 H PHE A 13 -18.978 -0.846 1.842 1.00 71.10 H new ATOM 0 HA PHE A 13 -16.234 -1.033 1.371 1.00 12.12 H new ATOM 0 HB2 PHE A 13 -16.282 1.387 2.008 1.00 51.32 H new ATOM 0 HB3 PHE A 13 -17.508 0.951 0.834 1.00 51.32 H new ATOM 0 HD1 PHE A 13 -19.945 0.814 1.541 1.00 32.10 H new ATOM 0 HD2 PHE A 13 -16.852 2.202 4.195 1.00 23.14 H new ATOM 0 HE1 PHE A 13 -21.666 1.806 3.032 1.00 51.15 H new ATOM 0 HE2 PHE A 13 -18.574 3.202 5.673 1.00 22.53 H new ATOM 0 HZ PHE A 13 -20.982 3.025 5.086 1.00 50.31 H new ATOM 176 N LYS A 14 -16.978 -1.124 4.550 1.00 50.14 N ATOM 177 CA LYS A 14 -16.407 -1.437 5.856 1.00 70.32 C ATOM 178 C LYS A 14 -16.187 -2.938 6.008 1.00 61.21 C ATOM 179 O LYS A 14 -15.225 -3.315 6.660 1.00 43.44 O ATOM 180 CB LYS A 14 -17.289 -0.875 6.982 1.00 13.45 C ATOM 181 CG LYS A 14 -16.501 -0.119 8.070 1.00 20.51 C ATOM 182 CD LYS A 14 -15.426 -0.947 8.795 1.00 1.41 C ATOM 183 CE LYS A 14 -14.913 -0.215 10.042 1.00 22.43 C ATOM 184 NZ LYS A 14 -13.933 -1.003 10.818 1.00 54.00 N ATOM 0 H LYS A 14 -17.998 -1.147 4.532 1.00 50.14 H new ATOM 0 HA LYS A 14 -15.431 -0.957 5.930 1.00 70.32 H new ATOM 0 HB2 LYS A 14 -18.030 -0.203 6.549 1.00 13.45 H new ATOM 0 HB3 LYS A 14 -17.836 -1.695 7.446 1.00 13.45 H new ATOM 0 HG2 LYS A 14 -16.023 0.748 7.614 1.00 20.51 H new ATOM 0 HG3 LYS A 14 -17.206 0.259 8.810 1.00 20.51 H new ATOM 0 HD2 LYS A 14 -15.839 -1.914 9.081 1.00 1.41 H new ATOM 0 HD3 LYS A 14 -14.595 -1.143 8.117 1.00 1.41 H new ATOM 0 HE2 LYS A 14 -14.455 0.727 9.740 1.00 22.43 H new ATOM 0 HE3 LYS A 14 -15.759 0.034 10.683 1.00 22.43 H new ATOM 0 HZ1 LYS A 14 -13.715 -0.508 11.706 1.00 54.00 H new ATOM 0 HZ2 LYS A 14 -14.332 -1.939 11.033 1.00 54.00 H new ATOM 0 HZ3 LYS A 14 -13.062 -1.118 10.262 1.00 54.00 H new ATOM 198 N SER A 15 -17.000 -3.802 5.394 1.00 73.52 N ATOM 199 CA SER A 15 -16.845 -5.239 5.429 1.00 31.13 C ATOM 200 C SER A 15 -15.479 -5.631 4.889 1.00 44.32 C ATOM 201 O SER A 15 -14.764 -6.356 5.584 1.00 12.05 O ATOM 202 CB SER A 15 -17.995 -5.851 4.629 1.00 71.51 C ATOM 203 OG SER A 15 -19.142 -5.981 5.452 1.00 63.52 O ATOM 0 H SER A 15 -17.805 -3.501 4.845 1.00 73.52 H new ATOM 0 HA SER A 15 -16.889 -5.619 6.450 1.00 31.13 H new ATOM 0 HB2 SER A 15 -18.224 -5.223 3.768 1.00 71.51 H new ATOM 0 HB3 SER A 15 -17.702 -6.827 4.243 1.00 71.51 H new ATOM 0 HG SER A 15 -19.875 -6.372 4.932 1.00 63.52 H new ATOM 209 N PHE A 16 -15.082 -5.146 3.704 1.00 14.21 N ATOM 210 CA PHE A 16 -13.767 -5.525 3.203 1.00 24.42 C ATOM 211 C PHE A 16 -12.682 -5.033 4.154 1.00 34.53 C ATOM 212 O PHE A 16 -11.763 -5.796 4.460 1.00 30.15 O ATOM 213 CB PHE A 16 -13.522 -5.060 1.764 1.00 53.02 C ATOM 214 CG PHE A 16 -12.970 -3.658 1.567 1.00 72.54 C ATOM 215 CD1 PHE A 16 -11.580 -3.428 1.595 1.00 34.45 C ATOM 216 CD2 PHE A 16 -13.842 -2.591 1.297 1.00 2.23 C ATOM 217 CE1 PHE A 16 -11.071 -2.141 1.360 1.00 43.22 C ATOM 218 CE2 PHE A 16 -13.331 -1.304 1.054 1.00 11.35 C ATOM 219 CZ PHE A 16 -11.946 -1.076 1.090 1.00 73.42 C ATOM 0 H PHE A 16 -15.624 -4.523 3.106 1.00 14.21 H new ATOM 0 HA PHE A 16 -13.729 -6.614 3.168 1.00 24.42 H new ATOM 0 HB2 PHE A 16 -12.832 -5.762 1.296 1.00 53.02 H new ATOM 0 HB3 PHE A 16 -14.465 -5.130 1.222 1.00 53.02 H new ATOM 0 HD1 PHE A 16 -10.904 -4.245 1.798 1.00 34.45 H new ATOM 0 HD2 PHE A 16 -14.909 -2.760 1.276 1.00 2.23 H new ATOM 0 HE1 PHE A 16 -10.005 -1.970 1.387 1.00 43.22 H new ATOM 0 HE2 PHE A 16 -14.006 -0.488 0.839 1.00 11.35 H new ATOM 0 HZ PHE A 16 -11.555 -0.085 0.911 1.00 73.42 H new ATOM 229 N LEU A 17 -12.832 -3.794 4.639 1.00 3.44 N ATOM 230 CA LEU A 17 -11.851 -3.089 5.455 1.00 51.23 C ATOM 231 C LEU A 17 -11.634 -3.829 6.777 1.00 65.23 C ATOM 232 O LEU A 17 -10.497 -4.100 7.144 1.00 1.23 O ATOM 233 CB LEU A 17 -12.323 -1.635 5.668 1.00 2.35 C ATOM 234 CG LEU A 17 -11.227 -0.552 5.729 1.00 10.32 C ATOM 235 CD1 LEU A 17 -10.175 -0.806 6.801 1.00 61.30 C ATOM 236 CD2 LEU A 17 -10.532 -0.359 4.379 1.00 11.03 C ATOM 0 H LEU A 17 -13.671 -3.241 4.465 1.00 3.44 H new ATOM 0 HA LEU A 17 -10.888 -3.060 4.946 1.00 51.23 H new ATOM 0 HB2 LEU A 17 -13.010 -1.379 4.861 1.00 2.35 H new ATOM 0 HB3 LEU A 17 -12.893 -1.595 6.596 1.00 2.35 H new ATOM 0 HG LEU A 17 -11.760 0.360 5.997 1.00 10.32 H new ATOM 0 HD11 LEU A 17 -9.437 -0.004 6.784 1.00 61.30 H new ATOM 0 HD12 LEU A 17 -10.653 -0.839 7.780 1.00 61.30 H new ATOM 0 HD13 LEU A 17 -9.680 -1.758 6.607 1.00 61.30 H new ATOM 0 HD21 LEU A 17 -9.768 0.413 4.470 1.00 11.03 H new ATOM 0 HD22 LEU A 17 -10.066 -1.296 4.072 1.00 11.03 H new ATOM 0 HD23 LEU A 17 -11.266 -0.057 3.632 1.00 11.03 H new ATOM 248 N ASP A 18 -12.716 -4.232 7.449 1.00 14.41 N ATOM 249 CA ASP A 18 -12.711 -4.900 8.753 1.00 20.13 C ATOM 250 C ASP A 18 -11.804 -6.121 8.747 1.00 5.34 C ATOM 251 O ASP A 18 -11.040 -6.313 9.695 1.00 20.32 O ATOM 252 CB ASP A 18 -14.124 -5.360 9.172 1.00 60.14 C ATOM 253 CG ASP A 18 -14.898 -4.352 10.017 1.00 34.21 C ATOM 254 OD1 ASP A 18 -14.282 -3.681 10.879 1.00 33.41 O ATOM 255 OD2 ASP A 18 -16.135 -4.262 9.821 1.00 40.40 O ATOM 0 H ASP A 18 -13.659 -4.096 7.084 1.00 14.41 H new ATOM 0 HA ASP A 18 -12.342 -4.162 9.465 1.00 20.13 H new ATOM 0 HB2 ASP A 18 -14.701 -5.580 8.274 1.00 60.14 H new ATOM 0 HB3 ASP A 18 -14.037 -6.292 9.731 1.00 60.14 H new ATOM 260 N LYS A 19 -11.907 -6.956 7.709 1.00 41.43 N ATOM 261 CA LYS A 19 -11.077 -8.146 7.565 1.00 14.43 C ATOM 262 C LYS A 19 -9.709 -7.801 6.983 1.00 22.35 C ATOM 263 O LYS A 19 -8.721 -8.381 7.431 1.00 61.20 O ATOM 264 CB LYS A 19 -11.812 -9.219 6.743 1.00 30.21 C ATOM 265 CG LYS A 19 -12.445 -10.259 7.680 1.00 64.34 C ATOM 266 CD LYS A 19 -13.015 -11.489 6.955 1.00 1.44 C ATOM 267 CE LYS A 19 -14.502 -11.346 6.626 1.00 34.55 C ATOM 268 NZ LYS A 19 -15.288 -12.491 7.122 1.00 54.12 N ATOM 0 H LYS A 19 -12.571 -6.822 6.946 1.00 41.43 H new ATOM 0 HA LYS A 19 -10.894 -8.564 8.555 1.00 14.43 H new ATOM 0 HB2 LYS A 19 -12.583 -8.753 6.129 1.00 30.21 H new ATOM 0 HB3 LYS A 19 -11.115 -9.708 6.062 1.00 30.21 H new ATOM 0 HG2 LYS A 19 -11.695 -10.589 8.399 1.00 64.34 H new ATOM 0 HG3 LYS A 19 -13.244 -9.782 8.248 1.00 64.34 H new ATOM 0 HD2 LYS A 19 -12.457 -11.652 6.033 1.00 1.44 H new ATOM 0 HD3 LYS A 19 -12.868 -12.372 7.577 1.00 1.44 H new ATOM 0 HE2 LYS A 19 -14.884 -10.425 7.067 1.00 34.55 H new ATOM 0 HE3 LYS A 19 -14.628 -11.259 5.547 1.00 34.55 H new ATOM 0 HZ1 LYS A 19 -16.290 -12.356 6.879 1.00 54.12 H new ATOM 0 HZ2 LYS A 19 -14.940 -13.367 6.682 1.00 54.12 H new ATOM 0 HZ3 LYS A 19 -15.189 -12.559 8.155 1.00 54.12 H new ATOM 282 N PHE A 20 -9.620 -6.828 6.068 1.00 51.00 N ATOM 283 CA PHE A 20 -8.358 -6.357 5.499 1.00 71.53 C ATOM 284 C PHE A 20 -7.367 -6.007 6.615 1.00 1.13 C ATOM 285 O PHE A 20 -6.208 -6.427 6.549 1.00 32.44 O ATOM 286 CB PHE A 20 -8.603 -5.170 4.552 1.00 44.23 C ATOM 287 CG PHE A 20 -7.356 -4.490 4.018 1.00 14.13 C ATOM 288 CD1 PHE A 20 -6.612 -5.059 2.967 1.00 21.43 C ATOM 289 CD2 PHE A 20 -6.945 -3.265 4.575 1.00 70.41 C ATOM 290 CE1 PHE A 20 -5.461 -4.404 2.487 1.00 32.41 C ATOM 291 CE2 PHE A 20 -5.791 -2.621 4.104 1.00 65.42 C ATOM 292 CZ PHE A 20 -5.046 -3.189 3.058 1.00 65.23 C ATOM 0 H PHE A 20 -10.436 -6.341 5.699 1.00 51.00 H new ATOM 0 HA PHE A 20 -7.914 -7.157 4.907 1.00 71.53 H new ATOM 0 HB2 PHE A 20 -9.195 -5.519 3.706 1.00 44.23 H new ATOM 0 HB3 PHE A 20 -9.204 -4.427 5.077 1.00 44.23 H new ATOM 0 HD1 PHE A 20 -6.923 -5.996 2.529 1.00 21.43 H new ATOM 0 HD2 PHE A 20 -7.522 -2.817 5.371 1.00 70.41 H new ATOM 0 HE1 PHE A 20 -4.895 -4.838 1.676 1.00 32.41 H new ATOM 0 HE2 PHE A 20 -5.475 -1.688 4.546 1.00 65.42 H new ATOM 0 HZ PHE A 20 -4.158 -2.694 2.694 1.00 65.23 H new ATOM 302 N THR A 21 -7.833 -5.302 7.650 1.00 31.43 N ATOM 303 CA THR A 21 -7.019 -4.864 8.777 1.00 33.14 C ATOM 304 C THR A 21 -6.706 -5.976 9.780 1.00 43.50 C ATOM 305 O THR A 21 -5.861 -5.767 10.653 1.00 61.23 O ATOM 306 CB THR A 21 -7.724 -3.689 9.483 1.00 41.43 C ATOM 307 OG1 THR A 21 -9.104 -3.932 9.739 1.00 40.54 O ATOM 308 CG2 THR A 21 -7.615 -2.436 8.611 1.00 14.31 C ATOM 0 H THR A 21 -8.809 -5.016 7.725 1.00 31.43 H new ATOM 0 HA THR A 21 -6.057 -4.550 8.373 1.00 33.14 H new ATOM 0 HB THR A 21 -7.225 -3.560 10.444 1.00 41.43 H new ATOM 0 HG1 THR A 21 -9.611 -3.848 8.905 1.00 40.54 H new ATOM 0 HG21 THR A 21 -8.113 -1.603 9.107 1.00 14.31 H new ATOM 0 HG22 THR A 21 -6.564 -2.191 8.456 1.00 14.31 H new ATOM 0 HG23 THR A 21 -8.090 -2.621 7.648 1.00 14.31 H new ATOM 316 N SER A 22 -7.395 -7.120 9.715 1.00 23.03 N ATOM 317 CA SER A 22 -7.472 -8.039 10.845 1.00 64.02 C ATOM 318 C SER A 22 -7.264 -9.511 10.479 1.00 4.31 C ATOM 319 O SER A 22 -7.628 -10.391 11.260 1.00 13.51 O ATOM 320 CB SER A 22 -8.754 -7.769 11.637 1.00 21.25 C ATOM 321 OG SER A 22 -8.763 -6.420 12.085 1.00 0.45 O ATOM 0 H SER A 22 -7.907 -7.428 8.888 1.00 23.03 H new ATOM 0 HA SER A 22 -6.622 -7.836 11.496 1.00 64.02 H new ATOM 0 HB2 SER A 22 -9.626 -7.961 11.012 1.00 21.25 H new ATOM 0 HB3 SER A 22 -8.816 -8.446 12.489 1.00 21.25 H new ATOM 0 HG SER A 22 -8.070 -6.297 12.766 1.00 0.45 H new ATOM 327 N SER A 23 -6.640 -9.796 9.339 1.00 45.34 N ATOM 328 CA SER A 23 -6.017 -11.086 9.088 1.00 1.23 C ATOM 329 C SER A 23 -4.885 -10.880 8.094 1.00 73.21 C ATOM 330 O SER A 23 -5.098 -10.262 7.051 1.00 30.05 O ATOM 331 CB SER A 23 -7.066 -12.055 8.537 1.00 30.42 C ATOM 332 OG SER A 23 -6.512 -13.326 8.231 1.00 30.21 O ATOM 0 H SER A 23 -6.554 -9.137 8.565 1.00 45.34 H new ATOM 0 HA SER A 23 -5.614 -11.511 10.007 1.00 1.23 H new ATOM 0 HB2 SER A 23 -7.866 -12.175 9.267 1.00 30.42 H new ATOM 0 HB3 SER A 23 -7.515 -11.630 7.639 1.00 30.42 H new ATOM 0 HG SER A 23 -6.200 -13.754 9.056 1.00 30.21 H new ATOM 338 N ALA A 24 -3.697 -11.410 8.376 1.00 63.42 N ATOM 339 CA ALA A 24 -2.591 -11.396 7.435 1.00 52.13 C ATOM 340 C ALA A 24 -2.995 -12.189 6.193 1.00 4.25 C ATOM 341 O ALA A 24 -2.893 -11.698 5.068 1.00 62.01 O ATOM 342 CB ALA A 24 -1.336 -11.987 8.087 1.00 24.03 C ATOM 0 H ALA A 24 -3.479 -11.860 9.265 1.00 63.42 H new ATOM 0 HA ALA A 24 -2.359 -10.372 7.143 1.00 52.13 H new ATOM 0 HB1 ALA A 24 -0.513 -11.972 7.372 1.00 24.03 H new ATOM 0 HB2 ALA A 24 -1.068 -11.395 8.962 1.00 24.03 H new ATOM 0 HB3 ALA A 24 -1.534 -13.015 8.391 1.00 24.03 H new ATOM 348 N ALA A 25 -3.476 -13.420 6.394 1.00 3.23 N ATOM 349 CA ALA A 25 -3.723 -14.364 5.310 1.00 10.32 C ATOM 350 C ALA A 25 -4.745 -13.866 4.279 1.00 12.04 C ATOM 351 O ALA A 25 -4.736 -14.328 3.136 1.00 2.14 O ATOM 352 CB ALA A 25 -4.189 -15.693 5.905 1.00 12.11 C ATOM 0 H ALA A 25 -3.704 -13.787 7.318 1.00 3.23 H new ATOM 0 HA ALA A 25 -2.784 -14.484 4.770 1.00 10.32 H new ATOM 0 HB1 ALA A 25 -4.376 -16.406 5.102 1.00 12.11 H new ATOM 0 HB2 ALA A 25 -3.417 -16.086 6.566 1.00 12.11 H new ATOM 0 HB3 ALA A 25 -5.107 -15.536 6.472 1.00 12.11 H new ATOM 358 N PHE A 26 -5.632 -12.941 4.655 1.00 42.33 N ATOM 359 CA PHE A 26 -6.687 -12.449 3.772 1.00 71.52 C ATOM 360 C PHE A 26 -6.198 -11.365 2.806 1.00 72.43 C ATOM 361 O PHE A 26 -6.852 -11.144 1.787 1.00 5.13 O ATOM 362 CB PHE A 26 -7.905 -11.980 4.583 1.00 54.34 C ATOM 363 CG PHE A 26 -9.186 -12.755 4.307 1.00 31.43 C ATOM 364 CD1 PHE A 26 -9.213 -14.160 4.435 1.00 45.40 C ATOM 365 CD2 PHE A 26 -10.379 -12.071 3.999 1.00 24.44 C ATOM 366 CE1 PHE A 26 -10.412 -14.867 4.240 1.00 53.13 C ATOM 367 CE2 PHE A 26 -11.570 -12.780 3.770 1.00 23.44 C ATOM 368 CZ PHE A 26 -11.587 -14.179 3.893 1.00 10.43 C ATOM 0 H PHE A 26 -5.637 -12.513 5.581 1.00 42.33 H new ATOM 0 HA PHE A 26 -6.996 -13.288 3.149 1.00 71.52 H new ATOM 0 HB2 PHE A 26 -7.670 -12.058 5.645 1.00 54.34 H new ATOM 0 HB3 PHE A 26 -8.081 -10.925 4.372 1.00 54.34 H new ATOM 0 HD1 PHE A 26 -8.308 -14.695 4.684 1.00 45.40 H new ATOM 0 HD2 PHE A 26 -10.378 -10.993 3.938 1.00 24.44 H new ATOM 0 HE1 PHE A 26 -10.430 -15.940 4.357 1.00 53.13 H new ATOM 0 HE2 PHE A 26 -12.471 -12.250 3.500 1.00 23.44 H new ATOM 0 HZ PHE A 26 -12.502 -14.726 3.721 1.00 10.43 H new ATOM 378 N GLN A 27 -5.061 -10.708 3.055 1.00 13.15 N ATOM 379 CA GLN A 27 -4.551 -9.675 2.156 1.00 1.34 C ATOM 380 C GLN A 27 -4.103 -10.320 0.836 1.00 10.24 C ATOM 381 O GLN A 27 -4.520 -9.907 -0.244 1.00 3.02 O ATOM 382 CB GLN A 27 -3.433 -8.870 2.858 1.00 65.12 C ATOM 383 CG GLN A 27 -3.865 -7.423 3.149 1.00 53.32 C ATOM 384 CD GLN A 27 -2.881 -6.704 4.073 1.00 73.10 C ATOM 385 OE1 GLN A 27 -1.720 -6.543 3.710 1.00 10.35 O ATOM 386 NE2 GLN A 27 -3.303 -6.279 5.256 1.00 32.24 N ATOM 0 H GLN A 27 -4.477 -10.876 3.874 1.00 13.15 H new ATOM 0 HA GLN A 27 -5.336 -8.960 1.909 1.00 1.34 H new ATOM 0 HB2 GLN A 27 -3.162 -9.363 3.792 1.00 65.12 H new ATOM 0 HB3 GLN A 27 -2.542 -8.864 2.231 1.00 65.12 H new ATOM 0 HG2 GLN A 27 -3.948 -6.874 2.211 1.00 53.32 H new ATOM 0 HG3 GLN A 27 -4.855 -7.425 3.605 1.00 53.32 H new ATOM 0 HE21 GLN A 27 -4.273 -6.425 5.534 1.00 32.24 H new ATOM 0 HE22 GLN A 27 -2.657 -5.806 5.888 1.00 32.24 H new ATOM 395 N TYR A 28 -3.296 -11.383 0.907 1.00 43.42 N ATOM 396 CA TYR A 28 -2.669 -12.037 -0.247 1.00 1.42 C ATOM 397 C TYR A 28 -3.680 -12.504 -1.296 1.00 25.13 C ATOM 398 O TYR A 28 -3.455 -12.340 -2.496 1.00 74.51 O ATOM 399 CB TYR A 28 -1.831 -13.222 0.239 1.00 73.33 C ATOM 400 CG TYR A 28 -0.829 -12.831 1.301 1.00 45.13 C ATOM 401 CD1 TYR A 28 0.414 -12.280 0.932 1.00 33.24 C ATOM 402 CD2 TYR A 28 -1.161 -12.979 2.660 1.00 44.04 C ATOM 403 CE1 TYR A 28 1.338 -11.891 1.918 1.00 54.30 C ATOM 404 CE2 TYR A 28 -0.236 -12.597 3.647 1.00 33.04 C ATOM 405 CZ TYR A 28 1.013 -12.047 3.284 1.00 5.23 C ATOM 406 OH TYR A 28 1.896 -11.695 4.259 1.00 61.13 O ATOM 0 H TYR A 28 -3.054 -11.825 1.794 1.00 43.42 H new ATOM 0 HA TYR A 28 -2.037 -11.296 -0.736 1.00 1.42 H new ATOM 0 HB2 TYR A 28 -2.493 -13.992 0.636 1.00 73.33 H new ATOM 0 HB3 TYR A 28 -1.304 -13.661 -0.608 1.00 73.33 H new ATOM 0 HD1 TYR A 28 0.658 -12.156 -0.113 1.00 33.24 H new ATOM 0 HD2 TYR A 28 -2.121 -13.384 2.943 1.00 44.04 H new ATOM 0 HE1 TYR A 28 2.293 -11.475 1.632 1.00 54.30 H new ATOM 0 HE2 TYR A 28 -0.482 -12.725 4.691 1.00 33.04 H new ATOM 0 HH TYR A 28 1.500 -11.872 5.138 1.00 61.13 H new ATOM 416 N THR A 29 -4.811 -13.054 -0.862 1.00 61.50 N ATOM 417 CA THR A 29 -5.852 -13.595 -1.730 1.00 62.23 C ATOM 418 C THR A 29 -6.705 -12.492 -2.399 1.00 62.31 C ATOM 419 O THR A 29 -7.735 -12.781 -3.017 1.00 14.21 O ATOM 420 CB THR A 29 -6.648 -14.620 -0.893 1.00 30.21 C ATOM 421 OG1 THR A 29 -7.526 -15.401 -1.675 1.00 24.33 O ATOM 422 CG2 THR A 29 -7.415 -13.992 0.273 1.00 41.40 C ATOM 0 H THR A 29 -5.034 -13.138 0.130 1.00 61.50 H new ATOM 0 HA THR A 29 -5.420 -14.108 -2.589 1.00 62.23 H new ATOM 0 HB THR A 29 -5.884 -15.274 -0.473 1.00 30.21 H new ATOM 0 HG1 THR A 29 -7.912 -14.847 -2.386 1.00 24.33 H new ATOM 0 HG21 THR A 29 -7.951 -14.770 0.817 1.00 41.40 H new ATOM 0 HG22 THR A 29 -6.714 -13.497 0.945 1.00 41.40 H new ATOM 0 HG23 THR A 29 -8.127 -13.262 -0.111 1.00 41.40 H new ATOM 430 N ARG A 30 -6.323 -11.217 -2.275 1.00 62.44 N ATOM 431 CA ARG A 30 -7.214 -10.082 -2.467 1.00 53.34 C ATOM 432 C ARG A 30 -6.499 -8.918 -3.133 1.00 53.23 C ATOM 433 O ARG A 30 -6.732 -7.767 -2.789 1.00 42.40 O ATOM 434 CB ARG A 30 -7.773 -9.741 -1.079 1.00 10.02 C ATOM 435 CG ARG A 30 -9.162 -9.125 -1.156 1.00 73.54 C ATOM 436 CD ARG A 30 -10.276 -10.167 -1.340 1.00 12.43 C ATOM 437 NE ARG A 30 -11.565 -9.674 -0.816 1.00 11.33 N ATOM 438 CZ ARG A 30 -12.418 -10.360 -0.037 1.00 45.24 C ATOM 439 NH1 ARG A 30 -12.224 -11.654 0.208 1.00 74.13 N ATOM 440 NH2 ARG A 30 -13.491 -9.771 0.470 1.00 70.33 N ATOM 0 H ARG A 30 -5.369 -10.947 -2.034 1.00 62.44 H new ATOM 0 HA ARG A 30 -8.032 -10.319 -3.148 1.00 53.34 H new ATOM 0 HB2 ARG A 30 -7.811 -10.646 -0.472 1.00 10.02 H new ATOM 0 HB3 ARG A 30 -7.097 -9.049 -0.577 1.00 10.02 H new ATOM 0 HG2 ARG A 30 -9.352 -8.557 -0.245 1.00 73.54 H new ATOM 0 HG3 ARG A 30 -9.194 -8.418 -1.985 1.00 73.54 H new ATOM 0 HD2 ARG A 30 -10.380 -10.408 -2.398 1.00 12.43 H new ATOM 0 HD3 ARG A 30 -10.002 -11.089 -0.828 1.00 12.43 H new ATOM 0 HE ARG A 30 -11.833 -8.723 -1.069 1.00 11.33 H new ATOM 0 HH11 ARG A 30 -11.421 -12.135 -0.197 1.00 74.13 H new ATOM 0 HH12 ARG A 30 -12.878 -12.164 0.801 1.00 74.13 H new ATOM 0 HH21 ARG A 30 -13.676 -8.788 0.270 1.00 70.33 H new ATOM 0 HH22 ARG A 30 -14.133 -10.301 1.060 1.00 70.33 H new ATOM 454 N VAL A 31 -5.605 -9.191 -4.078 1.00 4.32 N ATOM 455 CA VAL A 31 -4.778 -8.170 -4.695 1.00 30.52 C ATOM 456 C VAL A 31 -4.433 -8.552 -6.126 1.00 33.54 C ATOM 457 O VAL A 31 -4.216 -9.730 -6.419 1.00 2.43 O ATOM 458 CB VAL A 31 -3.601 -7.868 -3.751 1.00 4.31 C ATOM 459 CG1 VAL A 31 -2.916 -9.072 -3.122 1.00 63.51 C ATOM 460 CG2 VAL A 31 -2.517 -6.971 -4.353 1.00 61.44 C ATOM 0 H VAL A 31 -5.436 -10.131 -4.436 1.00 4.32 H new ATOM 0 HA VAL A 31 -5.305 -7.224 -4.817 1.00 30.52 H new ATOM 0 HB VAL A 31 -4.126 -7.333 -2.960 1.00 4.31 H new ATOM 0 HG11 VAL A 31 -2.104 -8.734 -2.478 1.00 63.51 H new ATOM 0 HG12 VAL A 31 -3.639 -9.633 -2.530 1.00 63.51 H new ATOM 0 HG13 VAL A 31 -2.514 -9.713 -3.907 1.00 63.51 H new ATOM 0 HG21 VAL A 31 -1.728 -6.811 -3.618 1.00 61.44 H new ATOM 0 HG22 VAL A 31 -2.098 -7.450 -5.238 1.00 61.44 H new ATOM 0 HG23 VAL A 31 -2.952 -6.012 -4.632 1.00 61.44 H new ATOM 470 N LYS A 32 -4.464 -7.564 -7.020 1.00 72.42 N ATOM 471 CA LYS A 32 -4.103 -7.729 -8.425 1.00 13.42 C ATOM 472 C LYS A 32 -2.589 -7.760 -8.533 1.00 13.34 C ATOM 473 O LYS A 32 -1.913 -7.264 -7.635 1.00 33.53 O ATOM 474 CB LYS A 32 -4.615 -6.544 -9.247 1.00 13.43 C ATOM 475 CG LYS A 32 -6.140 -6.452 -9.273 1.00 64.53 C ATOM 476 CD LYS A 32 -6.844 -7.408 -10.236 1.00 13.02 C ATOM 477 CE LYS A 32 -8.292 -6.936 -10.346 1.00 24.44 C ATOM 478 NZ LYS A 32 -8.929 -7.246 -11.635 1.00 72.24 N ATOM 0 H LYS A 32 -4.745 -6.613 -6.783 1.00 72.42 H new ATOM 0 HA LYS A 32 -4.545 -8.651 -8.802 1.00 13.42 H new ATOM 0 HB2 LYS A 32 -4.207 -5.620 -8.836 1.00 13.43 H new ATOM 0 HB3 LYS A 32 -4.244 -6.630 -10.268 1.00 13.43 H new ATOM 0 HG2 LYS A 32 -6.514 -6.638 -8.266 1.00 64.53 H new ATOM 0 HG3 LYS A 32 -6.420 -5.431 -9.533 1.00 64.53 H new ATOM 0 HD2 LYS A 32 -6.359 -7.400 -11.212 1.00 13.02 H new ATOM 0 HD3 LYS A 32 -6.798 -8.432 -9.866 1.00 13.02 H new ATOM 0 HE2 LYS A 32 -8.874 -7.394 -9.546 1.00 24.44 H new ATOM 0 HE3 LYS A 32 -8.325 -5.858 -10.187 1.00 24.44 H new ATOM 0 HZ1 LYS A 32 -9.958 -7.115 -11.554 1.00 72.24 H new ATOM 0 HZ2 LYS A 32 -8.556 -6.610 -12.369 1.00 72.24 H new ATOM 0 HZ3 LYS A 32 -8.725 -8.232 -11.895 1.00 72.24 H new ATOM 492 N PHE A 33 -2.059 -8.248 -9.646 1.00 72.42 N ATOM 493 CA PHE A 33 -0.681 -7.957 -10.031 1.00 4.03 C ATOM 494 C PHE A 33 -0.597 -7.822 -11.554 1.00 23.15 C ATOM 495 O PHE A 33 -1.429 -8.398 -12.258 1.00 24.53 O ATOM 496 CB PHE A 33 0.309 -9.021 -9.514 1.00 50.40 C ATOM 497 CG PHE A 33 0.643 -8.874 -8.040 1.00 12.35 C ATOM 498 CD1 PHE A 33 1.589 -7.921 -7.608 1.00 52.22 C ATOM 499 CD2 PHE A 33 -0.064 -9.623 -7.082 1.00 63.31 C ATOM 500 CE1 PHE A 33 1.807 -7.714 -6.237 1.00 4.43 C ATOM 501 CE2 PHE A 33 0.141 -9.400 -5.711 1.00 42.44 C ATOM 502 CZ PHE A 33 1.070 -8.436 -5.286 1.00 10.13 C ATOM 0 H PHE A 33 -2.561 -8.848 -10.300 1.00 72.42 H new ATOM 0 HA PHE A 33 -0.390 -7.015 -9.566 1.00 4.03 H new ATOM 0 HB2 PHE A 33 -0.112 -10.011 -9.686 1.00 50.40 H new ATOM 0 HB3 PHE A 33 1.230 -8.961 -10.094 1.00 50.40 H new ATOM 0 HD1 PHE A 33 2.147 -7.349 -8.334 1.00 52.22 H new ATOM 0 HD2 PHE A 33 -0.770 -10.375 -7.403 1.00 63.31 H new ATOM 0 HE1 PHE A 33 2.545 -6.996 -5.913 1.00 4.43 H new ATOM 0 HE2 PHE A 33 -0.416 -9.970 -4.982 1.00 42.44 H new ATOM 0 HZ PHE A 33 1.216 -8.251 -4.232 1.00 10.13 H new ATOM 512 N PRO A 34 0.424 -7.131 -12.085 1.00 65.10 N ATOM 513 CA PRO A 34 1.286 -6.193 -11.370 1.00 5.04 C ATOM 514 C PRO A 34 0.502 -5.032 -10.744 1.00 32.11 C ATOM 515 O PRO A 34 -0.670 -4.791 -11.046 1.00 42.02 O ATOM 516 CB PRO A 34 2.301 -5.685 -12.394 1.00 5.35 C ATOM 517 CG PRO A 34 1.632 -5.961 -13.730 1.00 50.41 C ATOM 518 CD PRO A 34 0.802 -7.207 -13.481 1.00 44.14 C ATOM 0 HA PRO A 34 1.773 -6.691 -10.532 1.00 5.04 H new ATOM 0 HB2 PRO A 34 2.507 -4.623 -12.261 1.00 5.35 H new ATOM 0 HB3 PRO A 34 3.254 -6.208 -12.307 1.00 5.35 H new ATOM 0 HG2 PRO A 34 1.009 -5.124 -14.044 1.00 50.41 H new ATOM 0 HG3 PRO A 34 2.368 -6.123 -14.518 1.00 50.41 H new ATOM 0 HD2 PRO A 34 -0.076 -7.233 -14.127 1.00 44.14 H new ATOM 0 HD3 PRO A 34 1.375 -8.111 -13.686 1.00 44.14 H new ATOM 526 N LEU A 35 1.155 -4.347 -9.813 1.00 10.22 N ATOM 527 CA LEU A 35 0.647 -3.153 -9.156 1.00 22.13 C ATOM 528 C LEU A 35 1.094 -1.929 -9.954 1.00 14.24 C ATOM 529 O LEU A 35 1.714 -2.052 -11.015 1.00 72.41 O ATOM 530 CB LEU A 35 1.157 -3.097 -7.710 1.00 42.22 C ATOM 531 CG LEU A 35 0.746 -4.293 -6.834 1.00 45.43 C ATOM 532 CD1 LEU A 35 1.453 -4.222 -5.498 1.00 12.25 C ATOM 533 CD2 LEU A 35 -0.755 -4.410 -6.595 1.00 54.00 C ATOM 0 H LEU A 35 2.082 -4.618 -9.485 1.00 10.22 H new ATOM 0 HA LEU A 35 -0.442 -3.172 -9.121 1.00 22.13 H new ATOM 0 HB2 LEU A 35 2.245 -3.033 -7.726 1.00 42.22 H new ATOM 0 HB3 LEU A 35 0.790 -2.182 -7.246 1.00 42.22 H new ATOM 0 HG LEU A 35 1.043 -5.181 -7.392 1.00 45.43 H new ATOM 0 HD11 LEU A 35 1.157 -5.072 -4.884 1.00 12.25 H new ATOM 0 HD12 LEU A 35 2.531 -4.246 -5.655 1.00 12.25 H new ATOM 0 HD13 LEU A 35 1.181 -3.296 -4.991 1.00 12.25 H new ATOM 0 HD21 LEU A 35 -0.957 -5.279 -5.969 1.00 54.00 H new ATOM 0 HD22 LEU A 35 -1.115 -3.511 -6.095 1.00 54.00 H new ATOM 0 HD23 LEU A 35 -1.268 -4.524 -7.550 1.00 54.00 H new ATOM 545 N LYS A 36 0.750 -0.739 -9.461 1.00 74.43 N ATOM 546 CA LYS A 36 1.096 0.504 -10.179 1.00 24.42 C ATOM 547 C LYS A 36 2.533 0.896 -9.900 1.00 41.12 C ATOM 548 O LYS A 36 3.236 1.331 -10.810 1.00 62.50 O ATOM 549 CB LYS A 36 0.167 1.687 -9.845 1.00 45.42 C ATOM 550 CG LYS A 36 -1.294 1.273 -9.683 1.00 3.04 C ATOM 551 CD LYS A 36 -1.824 0.665 -10.991 1.00 74.21 C ATOM 552 CE LYS A 36 -3.285 0.249 -10.877 1.00 1.42 C ATOM 553 NZ LYS A 36 -3.718 -0.443 -12.107 1.00 3.11 N ATOM 0 H LYS A 36 0.243 -0.602 -8.587 1.00 74.43 H new ATOM 0 HA LYS A 36 0.963 0.284 -11.238 1.00 24.42 H new ATOM 0 HB2 LYS A 36 0.508 2.161 -8.925 1.00 45.42 H new ATOM 0 HB3 LYS A 36 0.241 2.434 -10.635 1.00 45.42 H new ATOM 0 HG2 LYS A 36 -1.386 0.549 -8.874 1.00 3.04 H new ATOM 0 HG3 LYS A 36 -1.896 2.139 -9.406 1.00 3.04 H new ATOM 0 HD2 LYS A 36 -1.716 1.390 -11.798 1.00 74.21 H new ATOM 0 HD3 LYS A 36 -1.220 -0.202 -11.258 1.00 74.21 H new ATOM 0 HE2 LYS A 36 -3.417 -0.407 -10.017 1.00 1.42 H new ATOM 0 HE3 LYS A 36 -3.908 1.127 -10.707 1.00 1.42 H new ATOM 0 HZ1 LYS A 36 -4.716 -0.721 -12.016 1.00 3.11 H new ATOM 0 HZ2 LYS A 36 -3.609 0.195 -12.921 1.00 3.11 H new ATOM 0 HZ3 LYS A 36 -3.134 -1.291 -12.252 1.00 3.11 H new ATOM 567 N THR A 37 2.953 0.753 -8.652 1.00 33.21 N ATOM 568 CA THR A 37 4.221 1.263 -8.146 1.00 14.02 C ATOM 569 C THR A 37 5.217 0.086 -8.008 1.00 63.10 C ATOM 570 O THR A 37 5.169 -0.642 -7.014 1.00 2.05 O ATOM 571 CB THR A 37 3.901 2.091 -6.884 1.00 71.11 C ATOM 572 OG1 THR A 37 5.019 2.773 -6.366 1.00 24.42 O ATOM 573 CG2 THR A 37 3.343 1.271 -5.714 1.00 10.14 C ATOM 0 H THR A 37 2.406 0.265 -7.942 1.00 33.21 H new ATOM 0 HA THR A 37 4.740 1.949 -8.815 1.00 14.02 H new ATOM 0 HB THR A 37 3.147 2.786 -7.254 1.00 71.11 H new ATOM 0 HG1 THR A 37 4.753 3.280 -5.570 1.00 24.42 H new ATOM 0 HG21 THR A 37 3.146 1.930 -4.869 1.00 10.14 H new ATOM 0 HG22 THR A 37 2.416 0.786 -6.019 1.00 10.14 H new ATOM 0 HG23 THR A 37 4.070 0.513 -5.421 1.00 10.14 H new ATOM 581 N PRO A 38 5.986 -0.307 -9.047 1.00 30.34 N ATOM 582 CA PRO A 38 6.964 -1.396 -8.930 1.00 45.41 C ATOM 583 C PRO A 38 8.047 -1.098 -7.879 1.00 12.45 C ATOM 584 O PRO A 38 8.195 0.031 -7.415 1.00 24.51 O ATOM 585 CB PRO A 38 7.536 -1.588 -10.336 1.00 5.41 C ATOM 586 CG PRO A 38 7.415 -0.192 -10.940 1.00 70.34 C ATOM 587 CD PRO A 38 6.080 0.287 -10.373 1.00 31.33 C ATOM 0 HA PRO A 38 6.497 -2.314 -8.573 1.00 45.41 H new ATOM 0 HB2 PRO A 38 8.571 -1.929 -10.309 1.00 5.41 H new ATOM 0 HB3 PRO A 38 6.971 -2.326 -10.906 1.00 5.41 H new ATOM 0 HG2 PRO A 38 8.240 0.454 -10.641 1.00 70.34 H new ATOM 0 HG3 PRO A 38 7.409 -0.218 -12.030 1.00 70.34 H new ATOM 0 HD2 PRO A 38 6.044 1.375 -10.319 1.00 31.33 H new ATOM 0 HD3 PRO A 38 5.249 -0.029 -11.004 1.00 31.33 H new ATOM 595 N ILE A 39 8.820 -2.124 -7.505 1.00 30.45 N ATOM 596 CA ILE A 39 10.046 -1.921 -6.742 1.00 14.24 C ATOM 597 C ILE A 39 11.014 -1.267 -7.723 1.00 31.54 C ATOM 598 O ILE A 39 11.191 -1.810 -8.814 1.00 21.45 O ATOM 599 CB ILE A 39 10.627 -3.268 -6.242 1.00 73.10 C ATOM 600 CG1 ILE A 39 9.630 -4.145 -5.454 1.00 13.02 C ATOM 601 CG2 ILE A 39 11.921 -3.049 -5.433 1.00 61.12 C ATOM 602 CD1 ILE A 39 9.187 -3.561 -4.110 1.00 53.32 C ATOM 0 H ILE A 39 8.615 -3.100 -7.720 1.00 30.45 H new ATOM 0 HA ILE A 39 9.869 -1.312 -5.856 1.00 14.24 H new ATOM 0 HB ILE A 39 10.857 -3.831 -7.147 1.00 73.10 H new ATOM 0 HG12 ILE A 39 8.747 -4.311 -6.071 1.00 13.02 H new ATOM 0 HG13 ILE A 39 10.085 -5.120 -5.279 1.00 13.02 H new ATOM 0 HG21 ILE A 39 12.306 -4.011 -5.095 1.00 61.12 H new ATOM 0 HG22 ILE A 39 12.665 -2.561 -6.062 1.00 61.12 H new ATOM 0 HG23 ILE A 39 11.708 -2.420 -4.569 1.00 61.12 H new ATOM 0 HD11 ILE A 39 8.488 -4.245 -3.629 1.00 53.32 H new ATOM 0 HD12 ILE A 39 10.058 -3.421 -3.469 1.00 53.32 H new ATOM 0 HD13 ILE A 39 8.699 -2.600 -4.274 1.00 53.32 H new ATOM 614 N THR A 40 11.685 -0.191 -7.334 1.00 2.31 N ATOM 615 CA THR A 40 12.717 0.447 -8.136 1.00 74.20 C ATOM 616 C THR A 40 13.928 0.631 -7.232 1.00 73.52 C ATOM 617 O THR A 40 13.766 1.034 -6.082 1.00 42.03 O ATOM 618 CB THR A 40 12.177 1.764 -8.711 1.00 74.24 C ATOM 619 OG1 THR A 40 10.981 1.521 -9.423 1.00 2.03 O ATOM 620 CG2 THR A 40 13.163 2.391 -9.695 1.00 74.23 C ATOM 0 H THR A 40 11.524 0.269 -6.438 1.00 2.31 H new ATOM 0 HA THR A 40 13.013 -0.155 -8.995 1.00 74.20 H new ATOM 0 HB THR A 40 12.013 2.438 -7.870 1.00 74.24 H new ATOM 0 HG1 THR A 40 10.506 2.367 -9.562 1.00 2.03 H new ATOM 0 HG21 THR A 40 12.748 3.322 -10.082 1.00 74.23 H new ATOM 0 HG22 THR A 40 14.104 2.598 -9.185 1.00 74.23 H new ATOM 0 HG23 THR A 40 13.341 1.702 -10.520 1.00 74.23 H new ATOM 628 N LEU A 41 15.114 0.271 -7.729 1.00 24.33 N ATOM 629 CA LEU A 41 16.373 0.315 -6.994 1.00 70.12 C ATOM 630 C LEU A 41 17.367 1.122 -7.815 1.00 32.41 C ATOM 631 O LEU A 41 17.265 1.145 -9.046 1.00 13.01 O ATOM 632 CB LEU A 41 16.961 -1.096 -6.802 1.00 32.03 C ATOM 633 CG LEU A 41 15.984 -2.165 -6.295 1.00 54.51 C ATOM 634 CD1 LEU A 41 16.694 -3.511 -6.163 1.00 72.14 C ATOM 635 CD2 LEU A 41 15.401 -1.838 -4.928 1.00 53.40 C ATOM 0 H LEU A 41 15.224 -0.069 -8.684 1.00 24.33 H new ATOM 0 HA LEU A 41 16.190 0.758 -6.015 1.00 70.12 H new ATOM 0 HB2 LEU A 41 17.373 -1.430 -7.754 1.00 32.03 H new ATOM 0 HB3 LEU A 41 17.793 -1.030 -6.101 1.00 32.03 H new ATOM 0 HG LEU A 41 15.179 -2.199 -7.029 1.00 54.51 H new ATOM 0 HD11 LEU A 41 15.989 -4.260 -5.802 1.00 72.14 H new ATOM 0 HD12 LEU A 41 17.081 -3.815 -7.136 1.00 72.14 H new ATOM 0 HD13 LEU A 41 17.519 -3.419 -5.457 1.00 72.14 H new ATOM 0 HD21 LEU A 41 14.718 -2.631 -4.624 1.00 53.40 H new ATOM 0 HD22 LEU A 41 16.207 -1.755 -4.199 1.00 53.40 H new ATOM 0 HD23 LEU A 41 14.860 -0.893 -4.980 1.00 53.40 H new ATOM 647 N LEU A 42 18.377 1.691 -7.164 1.00 53.42 N ATOM 648 CA LEU A 42 19.526 2.234 -7.876 1.00 2.15 C ATOM 649 C LEU A 42 20.424 1.085 -8.307 1.00 72.40 C ATOM 650 O LEU A 42 20.813 0.253 -7.487 1.00 10.45 O ATOM 651 CB LEU A 42 20.320 3.225 -7.007 1.00 30.22 C ATOM 652 CG LEU A 42 19.865 4.687 -7.148 1.00 62.01 C ATOM 653 CD1 LEU A 42 19.983 5.187 -8.595 1.00 24.33 C ATOM 654 CD2 LEU A 42 18.440 4.888 -6.626 1.00 10.55 C ATOM 0 H LEU A 42 18.422 1.787 -6.150 1.00 53.42 H new ATOM 0 HA LEU A 42 19.167 2.782 -8.747 1.00 2.15 H new ATOM 0 HB2 LEU A 42 20.232 2.927 -5.962 1.00 30.22 H new ATOM 0 HB3 LEU A 42 21.376 3.157 -7.270 1.00 30.22 H new ATOM 0 HG LEU A 42 20.539 5.283 -6.533 1.00 62.01 H new ATOM 0 HD11 LEU A 42 19.651 6.224 -8.650 1.00 24.33 H new ATOM 0 HD12 LEU A 42 21.021 5.120 -8.919 1.00 24.33 H new ATOM 0 HD13 LEU A 42 19.360 4.572 -9.244 1.00 24.33 H new ATOM 0 HD21 LEU A 42 18.154 5.933 -6.742 1.00 10.55 H new ATOM 0 HD22 LEU A 42 17.753 4.259 -7.192 1.00 10.55 H new ATOM 0 HD23 LEU A 42 18.397 4.615 -5.572 1.00 10.55 H new ATOM 666 N ALA A 43 20.775 1.057 -9.592 1.00 34.23 N ATOM 667 CA ALA A 43 21.778 0.166 -10.153 1.00 50.44 C ATOM 668 C ALA A 43 23.136 0.334 -9.463 1.00 41.40 C ATOM 669 O ALA A 43 23.371 1.297 -8.732 1.00 73.14 O ATOM 670 CB ALA A 43 21.923 0.492 -11.645 1.00 54.04 C ATOM 0 H ALA A 43 20.355 1.673 -10.288 1.00 34.23 H new ATOM 0 HA ALA A 43 21.457 -0.865 -10.002 1.00 50.44 H new ATOM 0 HB1 ALA A 43 22.671 -0.164 -12.090 1.00 54.04 H new ATOM 0 HB2 ALA A 43 20.966 0.342 -12.145 1.00 54.04 H new ATOM 0 HB3 ALA A 43 22.235 1.530 -11.762 1.00 54.04 H new ATOM 676 N ASP A 44 24.080 -0.541 -9.815 1.00 2.31 N ATOM 677 CA ASP A 44 25.511 -0.362 -9.539 1.00 71.23 C ATOM 678 C ASP A 44 26.010 0.992 -10.059 1.00 62.10 C ATOM 679 O ASP A 44 26.837 1.642 -9.423 1.00 74.04 O ATOM 680 CB ASP A 44 26.280 -1.508 -10.211 1.00 32.42 C ATOM 681 CG ASP A 44 27.788 -1.261 -10.258 1.00 21.41 C ATOM 682 OD1 ASP A 44 28.445 -1.330 -9.196 1.00 74.41 O ATOM 683 OD2 ASP A 44 28.318 -1.069 -11.380 1.00 44.33 O ATOM 0 H ASP A 44 23.870 -1.409 -10.308 1.00 2.31 H new ATOM 0 HA ASP A 44 25.677 -0.378 -8.462 1.00 71.23 H new ATOM 0 HB2 ASP A 44 26.085 -2.435 -9.673 1.00 32.42 H new ATOM 0 HB3 ASP A 44 25.907 -1.644 -11.226 1.00 32.42 H new ATOM 688 N ASP A 45 25.449 1.439 -11.186 1.00 14.55 N ATOM 689 CA ASP A 45 25.746 2.721 -11.826 1.00 4.35 C ATOM 690 C ASP A 45 25.286 3.924 -10.999 1.00 14.15 C ATOM 691 O ASP A 45 25.733 5.040 -11.249 1.00 31.14 O ATOM 692 CB ASP A 45 25.102 2.773 -13.219 1.00 44.04 C ATOM 693 CG ASP A 45 26.058 2.547 -14.395 1.00 53.30 C ATOM 694 OD1 ASP A 45 27.238 2.192 -14.178 1.00 2.32 O ATOM 695 OD2 ASP A 45 25.579 2.656 -15.550 1.00 2.45 O ATOM 0 H ASP A 45 24.750 0.898 -11.695 1.00 14.55 H new ATOM 0 HA ASP A 45 26.831 2.787 -11.909 1.00 4.35 H new ATOM 0 HB2 ASP A 45 24.314 2.022 -13.264 1.00 44.04 H new ATOM 0 HB3 ASP A 45 24.624 3.745 -13.343 1.00 44.04 H new ATOM 700 N GLY A 46 24.376 3.732 -10.037 1.00 62.32 N ATOM 701 CA GLY A 46 23.891 4.767 -9.134 1.00 51.52 C ATOM 702 C GLY A 46 23.087 5.888 -9.794 1.00 45.52 C ATOM 703 O GLY A 46 22.669 6.798 -9.085 1.00 71.30 O ATOM 0 H GLY A 46 23.948 2.822 -9.865 1.00 62.32 H new ATOM 0 HA2 GLY A 46 23.270 4.298 -8.371 1.00 51.52 H new ATOM 0 HA3 GLY A 46 24.746 5.209 -8.622 1.00 51.52 H new ATOM 707 N GLU A 47 22.810 5.809 -11.095 1.00 65.22 N ATOM 708 CA GLU A 47 21.780 6.598 -11.757 1.00 65.23 C ATOM 709 C GLU A 47 20.591 5.693 -12.072 1.00 71.41 C ATOM 710 O GLU A 47 19.447 6.028 -11.782 1.00 14.02 O ATOM 711 CB GLU A 47 22.303 7.132 -13.089 1.00 63.52 C ATOM 712 CG GLU A 47 23.273 8.309 -13.003 1.00 4.25 C ATOM 713 CD GLU A 47 23.742 8.761 -14.392 1.00 25.43 C ATOM 714 OE1 GLU A 47 23.091 8.432 -15.422 1.00 73.21 O ATOM 715 OE2 GLU A 47 24.794 9.445 -14.459 1.00 52.21 O ATOM 0 H GLU A 47 23.307 5.182 -11.728 1.00 65.22 H new ATOM 0 HA GLU A 47 21.496 7.422 -11.102 1.00 65.23 H new ATOM 0 HB2 GLU A 47 22.798 6.316 -13.616 1.00 63.52 H new ATOM 0 HB3 GLU A 47 21.450 7.433 -13.697 1.00 63.52 H new ATOM 0 HG2 GLU A 47 22.790 9.142 -12.493 1.00 4.25 H new ATOM 0 HG3 GLU A 47 24.137 8.025 -12.402 1.00 4.25 H new ATOM 722 N THR A 48 20.861 4.568 -12.740 1.00 22.51 N ATOM 723 CA THR A 48 19.852 3.799 -13.441 1.00 50.43 C ATOM 724 C THR A 48 18.870 3.163 -12.458 1.00 53.43 C ATOM 725 O THR A 48 19.203 2.228 -11.731 1.00 2.25 O ATOM 726 CB THR A 48 20.534 2.770 -14.350 1.00 5.25 C ATOM 727 OG1 THR A 48 21.648 3.344 -15.013 1.00 53.34 O ATOM 728 CG2 THR A 48 19.563 2.194 -15.379 1.00 45.10 C ATOM 0 H THR A 48 21.798 4.169 -12.805 1.00 22.51 H new ATOM 0 HA THR A 48 19.261 4.460 -14.075 1.00 50.43 H new ATOM 0 HB THR A 48 20.877 1.956 -13.711 1.00 5.25 H new ATOM 0 HG1 THR A 48 22.070 2.671 -15.586 1.00 53.34 H new ATOM 0 HG21 THR A 48 20.084 1.469 -16.004 1.00 45.10 H new ATOM 0 HG22 THR A 48 18.737 1.703 -14.865 1.00 45.10 H new ATOM 0 HG23 THR A 48 19.175 2.999 -16.003 1.00 45.10 H new ATOM 736 N GLU A 49 17.651 3.684 -12.462 1.00 70.31 N ATOM 737 CA GLU A 49 16.493 3.220 -11.724 1.00 33.44 C ATOM 738 C GLU A 49 16.076 1.864 -12.314 1.00 32.13 C ATOM 739 O GLU A 49 15.320 1.802 -13.292 1.00 4.43 O ATOM 740 CB GLU A 49 15.389 4.280 -11.883 1.00 61.30 C ATOM 741 CG GLU A 49 15.741 5.653 -11.273 1.00 31.51 C ATOM 742 CD GLU A 49 15.001 6.835 -11.921 1.00 1.13 C ATOM 743 OE1 GLU A 49 14.800 6.842 -13.163 1.00 2.01 O ATOM 744 OE2 GLU A 49 14.667 7.799 -11.198 1.00 30.43 O ATOM 0 H GLU A 49 17.433 4.505 -13.026 1.00 70.31 H new ATOM 0 HA GLU A 49 16.696 3.085 -10.662 1.00 33.44 H new ATOM 0 HB2 GLU A 49 15.175 4.410 -12.944 1.00 61.30 H new ATOM 0 HB3 GLU A 49 14.476 3.911 -11.417 1.00 61.30 H new ATOM 0 HG2 GLU A 49 15.512 5.635 -10.207 1.00 31.51 H new ATOM 0 HG3 GLU A 49 16.815 5.815 -11.366 1.00 31.51 H new ATOM 751 N LYS A 50 16.602 0.758 -11.785 1.00 3.03 N ATOM 752 CA LYS A 50 16.292 -0.587 -12.267 1.00 74.34 C ATOM 753 C LYS A 50 15.133 -1.145 -11.457 1.00 45.21 C ATOM 754 O LYS A 50 15.220 -1.312 -10.240 1.00 3.25 O ATOM 755 CB LYS A 50 17.522 -1.506 -12.291 1.00 41.12 C ATOM 756 CG LYS A 50 18.486 -1.071 -13.414 1.00 45.10 C ATOM 757 CD LYS A 50 19.426 -2.183 -13.901 1.00 73.34 C ATOM 758 CE LYS A 50 20.522 -2.525 -12.892 1.00 10.33 C ATOM 759 NZ LYS A 50 21.511 -3.473 -13.443 1.00 72.40 N ATOM 0 H LYS A 50 17.259 0.772 -11.005 1.00 3.03 H new ATOM 0 HA LYS A 50 15.983 -0.531 -13.311 1.00 74.34 H new ATOM 0 HB2 LYS A 50 18.032 -1.469 -11.328 1.00 41.12 H new ATOM 0 HB3 LYS A 50 17.211 -2.539 -12.448 1.00 41.12 H new ATOM 0 HG2 LYS A 50 17.901 -0.709 -14.259 1.00 45.10 H new ATOM 0 HG3 LYS A 50 19.086 -0.233 -13.059 1.00 45.10 H new ATOM 0 HD2 LYS A 50 18.841 -3.079 -14.111 1.00 73.34 H new ATOM 0 HD3 LYS A 50 19.887 -1.876 -14.840 1.00 73.34 H new ATOM 0 HE2 LYS A 50 21.030 -1.610 -12.585 1.00 10.33 H new ATOM 0 HE3 LYS A 50 20.069 -2.954 -11.998 1.00 10.33 H new ATOM 0 HZ1 LYS A 50 22.235 -3.676 -12.724 1.00 72.40 H new ATOM 0 HZ2 LYS A 50 21.033 -4.356 -13.712 1.00 72.40 H new ATOM 0 HZ3 LYS A 50 21.963 -3.055 -14.281 1.00 72.40 H new ATOM 773 N THR A 51 14.025 -1.371 -12.145 1.00 54.02 N ATOM 774 CA THR A 51 12.784 -1.880 -11.592 1.00 31.21 C ATOM 775 C THR A 51 12.912 -3.388 -11.308 1.00 32.13 C ATOM 776 O THR A 51 13.705 -4.075 -11.956 1.00 72.12 O ATOM 777 CB THR A 51 11.633 -1.549 -12.571 1.00 10.15 C ATOM 778 OG1 THR A 51 12.087 -0.989 -13.803 1.00 11.03 O ATOM 779 CG2 THR A 51 10.676 -0.521 -11.980 1.00 51.04 C ATOM 0 H THR A 51 13.966 -1.196 -13.148 1.00 54.02 H new ATOM 0 HA THR A 51 12.560 -1.403 -10.638 1.00 31.21 H new ATOM 0 HB THR A 51 11.145 -2.508 -12.748 1.00 10.15 H new ATOM 0 HG1 THR A 51 11.318 -0.802 -14.381 1.00 11.03 H new ATOM 0 HG21 THR A 51 9.880 -0.312 -12.695 1.00 51.04 H new ATOM 0 HG22 THR A 51 10.244 -0.913 -11.060 1.00 51.04 H new ATOM 0 HG23 THR A 51 11.219 0.399 -11.763 1.00 51.04 H new ATOM 787 N PHE A 52 12.135 -3.920 -10.360 1.00 5.05 N ATOM 788 CA PHE A 52 12.114 -5.325 -9.953 1.00 41.31 C ATOM 789 C PHE A 52 10.673 -5.766 -9.643 1.00 5.14 C ATOM 790 O PHE A 52 9.841 -4.931 -9.261 1.00 50.21 O ATOM 791 CB PHE A 52 12.987 -5.526 -8.698 1.00 5.24 C ATOM 792 CG PHE A 52 14.464 -5.736 -8.959 1.00 12.12 C ATOM 793 CD1 PHE A 52 15.314 -4.624 -9.078 1.00 71.21 C ATOM 794 CD2 PHE A 52 15.002 -7.037 -9.024 1.00 23.25 C ATOM 795 CE1 PHE A 52 16.694 -4.807 -9.251 1.00 22.44 C ATOM 796 CE2 PHE A 52 16.384 -7.220 -9.207 1.00 74.40 C ATOM 797 CZ PHE A 52 17.230 -6.106 -9.322 1.00 5.41 C ATOM 0 H PHE A 52 11.472 -3.354 -9.831 1.00 5.05 H new ATOM 0 HA PHE A 52 12.509 -5.928 -10.771 1.00 41.31 H new ATOM 0 HB2 PHE A 52 12.870 -4.656 -8.052 1.00 5.24 H new ATOM 0 HB3 PHE A 52 12.607 -6.386 -8.146 1.00 5.24 H new ATOM 0 HD1 PHE A 52 14.904 -3.626 -9.036 1.00 71.21 H new ATOM 0 HD2 PHE A 52 14.352 -7.895 -8.933 1.00 23.25 H new ATOM 0 HE1 PHE A 52 17.346 -3.950 -9.330 1.00 22.44 H new ATOM 0 HE2 PHE A 52 16.794 -8.218 -9.259 1.00 74.40 H new ATOM 0 HZ PHE A 52 18.291 -6.246 -9.465 1.00 5.41 H new ATOM 807 N PRO A 53 10.379 -7.082 -9.716 1.00 53.22 N ATOM 808 CA PRO A 53 9.053 -7.629 -9.441 1.00 1.11 C ATOM 809 C PRO A 53 8.645 -7.426 -7.984 1.00 10.21 C ATOM 810 O PRO A 53 9.498 -7.354 -7.090 1.00 13.42 O ATOM 811 CB PRO A 53 9.117 -9.123 -9.772 1.00 64.50 C ATOM 812 CG PRO A 53 10.606 -9.448 -9.696 1.00 25.25 C ATOM 813 CD PRO A 53 11.274 -8.150 -10.137 1.00 3.14 C ATOM 0 HA PRO A 53 8.304 -7.116 -10.044 1.00 1.11 H new ATOM 0 HB2 PRO A 53 8.541 -9.715 -9.061 1.00 64.50 H new ATOM 0 HB3 PRO A 53 8.712 -9.331 -10.762 1.00 64.50 H new ATOM 0 HG2 PRO A 53 10.905 -9.731 -8.687 1.00 25.25 H new ATOM 0 HG3 PRO A 53 10.870 -10.278 -10.351 1.00 25.25 H new ATOM 0 HD2 PRO A 53 12.257 -8.040 -9.679 1.00 3.14 H new ATOM 0 HD3 PRO A 53 11.422 -8.133 -11.217 1.00 3.14 H new ATOM 821 N PHE A 54 7.335 -7.427 -7.741 1.00 30.31 N ATOM 822 CA PHE A 54 6.723 -7.230 -6.439 1.00 64.31 C ATOM 823 C PHE A 54 6.034 -8.539 -6.063 1.00 51.12 C ATOM 824 O PHE A 54 5.115 -8.991 -6.750 1.00 44.32 O ATOM 825 CB PHE A 54 5.797 -6.008 -6.489 1.00 33.22 C ATOM 826 CG PHE A 54 5.444 -5.424 -5.135 1.00 1.31 C ATOM 827 CD1 PHE A 54 4.685 -6.159 -4.205 1.00 52.23 C ATOM 828 CD2 PHE A 54 5.899 -4.134 -4.794 1.00 65.52 C ATOM 829 CE1 PHE A 54 4.439 -5.626 -2.928 1.00 53.34 C ATOM 830 CE2 PHE A 54 5.619 -3.591 -3.531 1.00 24.12 C ATOM 831 CZ PHE A 54 4.893 -4.339 -2.594 1.00 70.43 C ATOM 0 H PHE A 54 6.647 -7.572 -8.480 1.00 30.31 H new ATOM 0 HA PHE A 54 7.448 -7.005 -5.657 1.00 64.31 H new ATOM 0 HB2 PHE A 54 6.272 -5.233 -7.091 1.00 33.22 H new ATOM 0 HB3 PHE A 54 4.876 -6.288 -7.000 1.00 33.22 H new ATOM 0 HD1 PHE A 54 4.293 -7.129 -4.472 1.00 52.23 H new ATOM 0 HD2 PHE A 54 6.467 -3.559 -5.510 1.00 65.52 H new ATOM 0 HE1 PHE A 54 3.897 -6.210 -2.198 1.00 53.34 H new ATOM 0 HE2 PHE A 54 5.962 -2.598 -3.281 1.00 24.12 H new ATOM 0 HZ PHE A 54 4.683 -3.927 -1.618 1.00 70.43 H new ATOM 841 N THR A 55 6.551 -9.203 -5.036 1.00 44.21 N ATOM 842 CA THR A 55 6.182 -10.554 -4.626 1.00 65.40 C ATOM 843 C THR A 55 5.621 -10.525 -3.193 1.00 24.15 C ATOM 844 O THR A 55 5.425 -9.442 -2.633 1.00 32.23 O ATOM 845 CB THR A 55 7.418 -11.449 -4.818 1.00 11.15 C ATOM 846 OG1 THR A 55 8.493 -10.952 -4.048 1.00 70.40 O ATOM 847 CG2 THR A 55 7.871 -11.478 -6.280 1.00 42.03 C ATOM 0 H THR A 55 7.271 -8.797 -4.439 1.00 44.21 H new ATOM 0 HA THR A 55 5.381 -10.974 -5.234 1.00 65.40 H new ATOM 0 HB THR A 55 7.139 -12.455 -4.504 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.277 -11.526 -4.172 1.00 70.40 H new ATOM 0 HG21 THR A 55 8.746 -12.120 -6.377 1.00 42.03 H new ATOM 0 HG22 THR A 55 7.065 -11.866 -6.903 1.00 42.03 H new ATOM 0 HG23 THR A 55 8.124 -10.468 -6.602 1.00 42.03 H new ATOM 855 N LYS A 56 5.300 -11.672 -2.578 1.00 25.43 N ATOM 856 CA LYS A 56 4.831 -11.704 -1.199 1.00 5.13 C ATOM 857 C LYS A 56 5.977 -11.366 -0.253 1.00 54.54 C ATOM 858 O LYS A 56 5.720 -10.771 0.788 1.00 10.12 O ATOM 859 CB LYS A 56 4.244 -13.072 -0.837 1.00 32.13 C ATOM 860 CG LYS A 56 2.915 -13.400 -1.530 1.00 61.41 C ATOM 861 CD LYS A 56 3.110 -14.164 -2.844 1.00 50.10 C ATOM 862 CE LYS A 56 1.765 -14.521 -3.482 1.00 12.44 C ATOM 863 NZ LYS A 56 1.185 -13.415 -4.273 1.00 52.22 N ATOM 0 H LYS A 56 5.359 -12.589 -3.021 1.00 25.43 H new ATOM 0 HA LYS A 56 4.040 -10.961 -1.097 1.00 5.13 H new ATOM 0 HB2 LYS A 56 4.971 -13.843 -1.091 1.00 32.13 H new ATOM 0 HB3 LYS A 56 4.096 -13.115 0.242 1.00 32.13 H new ATOM 0 HG2 LYS A 56 2.295 -13.993 -0.857 1.00 61.41 H new ATOM 0 HG3 LYS A 56 2.375 -12.474 -1.729 1.00 61.41 H new ATOM 0 HD2 LYS A 56 3.695 -13.558 -3.537 1.00 50.10 H new ATOM 0 HD3 LYS A 56 3.680 -15.074 -2.657 1.00 50.10 H new ATOM 0 HE2 LYS A 56 1.895 -15.391 -4.126 1.00 12.44 H new ATOM 0 HE3 LYS A 56 1.063 -14.806 -2.699 1.00 12.44 H new ATOM 0 HZ1 LYS A 56 0.277 -13.718 -4.679 1.00 52.22 H new ATOM 0 HZ2 LYS A 56 1.032 -12.591 -3.657 1.00 52.22 H new ATOM 0 HZ3 LYS A 56 1.838 -13.157 -5.040 1.00 52.22 H new ATOM 877 N GLU A 57 7.226 -11.653 -0.630 1.00 12.33 N ATOM 878 CA GLU A 57 8.395 -11.193 0.099 1.00 73.11 C ATOM 879 C GLU A 57 8.297 -9.678 0.320 1.00 52.32 C ATOM 880 O GLU A 57 8.376 -9.218 1.457 1.00 23.14 O ATOM 881 CB GLU A 57 9.666 -11.574 -0.658 1.00 44.31 C ATOM 882 CG GLU A 57 10.342 -12.882 -0.209 1.00 73.20 C ATOM 883 CD GLU A 57 10.032 -14.044 -1.152 1.00 74.30 C ATOM 884 OE1 GLU A 57 8.958 -14.676 -1.019 1.00 5.54 O ATOM 885 OE2 GLU A 57 10.850 -14.319 -2.065 1.00 53.21 O ATOM 0 H GLU A 57 7.448 -12.213 -1.453 1.00 12.33 H new ATOM 0 HA GLU A 57 8.437 -11.675 1.076 1.00 73.11 H new ATOM 0 HB2 GLU A 57 9.425 -11.656 -1.718 1.00 44.31 H new ATOM 0 HB3 GLU A 57 10.385 -10.761 -0.557 1.00 44.31 H new ATOM 0 HG2 GLU A 57 11.421 -12.734 -0.160 1.00 73.20 H new ATOM 0 HG3 GLU A 57 10.009 -13.134 0.798 1.00 73.20 H new ATOM 892 N LYS A 58 8.062 -8.908 -0.751 1.00 2.15 N ATOM 893 CA LYS A 58 7.973 -7.449 -0.681 1.00 33.15 C ATOM 894 C LYS A 58 6.600 -6.935 -0.226 1.00 23.41 C ATOM 895 O LYS A 58 6.363 -5.744 -0.355 1.00 50.52 O ATOM 896 CB LYS A 58 8.379 -6.801 -2.017 1.00 5.43 C ATOM 897 CG LYS A 58 9.854 -7.025 -2.398 1.00 45.32 C ATOM 898 CD LYS A 58 9.958 -7.804 -3.708 1.00 4.25 C ATOM 899 CE LYS A 58 11.401 -7.925 -4.204 1.00 13.31 C ATOM 900 NZ LYS A 58 11.449 -8.578 -5.527 1.00 54.22 N ATOM 0 H LYS A 58 7.929 -9.283 -1.690 1.00 2.15 H new ATOM 0 HA LYS A 58 8.683 -7.149 0.090 1.00 33.15 H new ATOM 0 HB2 LYS A 58 7.745 -7.199 -2.810 1.00 5.43 H new ATOM 0 HB3 LYS A 58 8.187 -5.729 -1.963 1.00 5.43 H new ATOM 0 HG2 LYS A 58 10.359 -6.064 -2.499 1.00 45.32 H new ATOM 0 HG3 LYS A 58 10.362 -7.571 -1.603 1.00 45.32 H new ATOM 0 HD2 LYS A 58 9.540 -8.801 -3.568 1.00 4.25 H new ATOM 0 HD3 LYS A 58 9.355 -7.310 -4.470 1.00 4.25 H new ATOM 0 HE2 LYS A 58 11.853 -6.935 -4.266 1.00 13.31 H new ATOM 0 HE3 LYS A 58 11.989 -8.500 -3.488 1.00 13.31 H new ATOM 0 HZ1 LYS A 58 12.417 -8.528 -5.904 1.00 54.22 H new ATOM 0 HZ2 LYS A 58 11.165 -9.574 -5.433 1.00 54.22 H new ATOM 0 HZ3 LYS A 58 10.799 -8.092 -6.178 1.00 54.22 H new ATOM 914 N TRP A 59 5.687 -7.780 0.257 1.00 14.44 N ATOM 915 CA TRP A 59 4.345 -7.382 0.684 1.00 61.24 C ATOM 916 C TRP A 59 4.329 -7.137 2.202 1.00 23.44 C ATOM 917 O TRP A 59 4.122 -8.110 2.941 1.00 51.43 O ATOM 918 CB TRP A 59 3.296 -8.409 0.212 1.00 24.35 C ATOM 919 CG TRP A 59 1.869 -8.033 0.493 1.00 74.22 C ATOM 920 CD1 TRP A 59 1.215 -8.287 1.651 1.00 21.42 C ATOM 921 CD2 TRP A 59 0.949 -7.218 -0.304 1.00 52.01 C ATOM 922 NE1 TRP A 59 -0.031 -7.698 1.626 1.00 21.33 N ATOM 923 CE2 TRP A 59 -0.236 -7.005 0.461 1.00 32.53 C ATOM 924 CE3 TRP A 59 1.002 -6.588 -1.569 1.00 72.33 C ATOM 925 CZ2 TRP A 59 -1.285 -6.189 0.024 1.00 31.53 C ATOM 926 CZ3 TRP A 59 -0.029 -5.729 -1.997 1.00 3.21 C ATOM 927 CH2 TRP A 59 -1.154 -5.511 -1.192 1.00 70.42 C ATOM 0 H TRP A 59 5.863 -8.779 0.364 1.00 14.44 H new ATOM 0 HA TRP A 59 4.071 -6.438 0.212 1.00 61.24 H new ATOM 0 HB2 TRP A 59 3.412 -8.558 -0.862 1.00 24.35 H new ATOM 0 HB3 TRP A 59 3.505 -9.366 0.691 1.00 24.35 H new ATOM 0 HD1 TRP A 59 1.611 -8.865 2.473 1.00 21.42 H new ATOM 0 HE1 TRP A 59 -0.715 -7.769 2.380 1.00 21.33 H new ATOM 0 HE3 TRP A 59 1.847 -6.768 -2.217 1.00 72.33 H new ATOM 0 HZ2 TRP A 59 -2.182 -6.084 0.616 1.00 31.53 H new ATOM 0 HZ3 TRP A 59 0.049 -5.234 -2.954 1.00 3.21 H new ATOM 0 HH2 TRP A 59 -1.920 -4.820 -1.510 1.00 70.42 H new ATOM 938 N PRO A 60 4.654 -5.932 2.715 1.00 31.11 N ATOM 939 CA PRO A 60 4.354 -5.600 4.101 1.00 62.03 C ATOM 940 C PRO A 60 2.833 -5.651 4.319 1.00 71.02 C ATOM 941 O PRO A 60 2.047 -5.387 3.405 1.00 51.31 O ATOM 942 CB PRO A 60 4.928 -4.205 4.340 1.00 54.14 C ATOM 943 CG PRO A 60 4.818 -3.556 2.971 1.00 52.14 C ATOM 944 CD PRO A 60 5.058 -4.720 2.015 1.00 43.22 C ATOM 0 HA PRO A 60 4.794 -6.305 4.807 1.00 62.03 H new ATOM 0 HB2 PRO A 60 4.361 -3.658 5.093 1.00 54.14 H new ATOM 0 HB3 PRO A 60 5.961 -4.247 4.686 1.00 54.14 H new ATOM 0 HG2 PRO A 60 3.838 -3.104 2.817 1.00 52.14 H new ATOM 0 HG3 PRO A 60 5.558 -2.767 2.839 1.00 52.14 H new ATOM 0 HD2 PRO A 60 4.481 -4.593 1.099 1.00 43.22 H new ATOM 0 HD3 PRO A 60 6.108 -4.772 1.726 1.00 43.22 H new ATOM 952 N LEU A 61 2.417 -6.027 5.523 1.00 2.25 N ATOM 953 CA LEU A 61 1.018 -6.091 5.932 1.00 65.22 C ATOM 954 C LEU A 61 0.599 -4.716 6.456 1.00 74.14 C ATOM 955 O LEU A 61 1.126 -4.253 7.463 1.00 4.25 O ATOM 956 CB LEU A 61 0.844 -7.186 6.997 1.00 3.31 C ATOM 957 CG LEU A 61 1.046 -8.606 6.428 1.00 2.34 C ATOM 958 CD1 LEU A 61 1.250 -9.615 7.560 1.00 3.54 C ATOM 959 CD2 LEU A 61 -0.147 -9.051 5.569 1.00 74.22 C ATOM 0 H LEU A 61 3.062 -6.304 6.263 1.00 2.25 H new ATOM 0 HA LEU A 61 0.378 -6.349 5.088 1.00 65.22 H new ATOM 0 HB2 LEU A 61 1.556 -7.018 7.805 1.00 3.31 H new ATOM 0 HB3 LEU A 61 -0.153 -7.111 7.430 1.00 3.31 H new ATOM 0 HG LEU A 61 1.935 -8.573 5.798 1.00 2.34 H new ATOM 0 HD11 LEU A 61 1.391 -10.611 7.139 1.00 3.54 H new ATOM 0 HD12 LEU A 61 2.131 -9.338 8.140 1.00 3.54 H new ATOM 0 HD13 LEU A 61 0.374 -9.616 8.209 1.00 3.54 H new ATOM 0 HD21 LEU A 61 0.034 -10.056 5.187 1.00 74.22 H new ATOM 0 HD22 LEU A 61 -1.052 -9.051 6.176 1.00 74.22 H new ATOM 0 HD23 LEU A 61 -0.271 -8.362 4.733 1.00 74.22 H new ATOM 971 N LEU A 62 -0.307 -4.033 5.749 1.00 23.25 N ATOM 972 CA LEU A 62 -0.807 -2.706 6.141 1.00 63.23 C ATOM 973 C LEU A 62 -1.666 -2.793 7.407 1.00 71.10 C ATOM 974 O LEU A 62 -2.294 -3.837 7.613 1.00 53.54 O ATOM 975 CB LEU A 62 -1.639 -2.106 4.987 1.00 71.04 C ATOM 976 CG LEU A 62 -0.972 -0.921 4.269 1.00 14.12 C ATOM 977 CD1 LEU A 62 -0.745 0.246 5.229 1.00 31.14 C ATOM 978 CD2 LEU A 62 0.342 -1.305 3.579 1.00 3.31 C ATOM 0 H LEU A 62 -0.718 -4.385 4.884 1.00 23.25 H new ATOM 0 HA LEU A 62 0.048 -2.064 6.352 1.00 63.23 H new ATOM 0 HB2 LEU A 62 -1.842 -2.889 4.257 1.00 71.04 H new ATOM 0 HB3 LEU A 62 -2.602 -1.780 5.381 1.00 71.04 H new ATOM 0 HG LEU A 62 -1.665 -0.609 3.487 1.00 14.12 H new ATOM 0 HD11 LEU A 62 -0.272 1.070 4.695 1.00 31.14 H new ATOM 0 HD12 LEU A 62 -1.702 0.577 5.632 1.00 31.14 H new ATOM 0 HD13 LEU A 62 -0.099 -0.075 6.046 1.00 31.14 H new ATOM 0 HD21 LEU A 62 0.766 -0.428 3.090 1.00 3.31 H new ATOM 0 HD22 LEU A 62 1.046 -1.682 4.321 1.00 3.31 H new ATOM 0 HD23 LEU A 62 0.150 -2.078 2.835 1.00 3.31 H new ATOM 990 N ASP A 63 -1.799 -1.708 8.185 1.00 4.43 N ATOM 991 CA ASP A 63 -2.488 -1.690 9.485 1.00 42.52 C ATOM 992 C ASP A 63 -3.717 -0.769 9.462 1.00 32.32 C ATOM 993 O ASP A 63 -3.858 0.102 8.603 1.00 63.01 O ATOM 994 CB ASP A 63 -1.575 -1.190 10.626 1.00 31.33 C ATOM 995 CG ASP A 63 -0.180 -1.805 10.739 1.00 54.50 C ATOM 996 OD1 ASP A 63 -0.058 -2.854 11.414 1.00 15.32 O ATOM 997 OD2 ASP A 63 0.799 -1.177 10.274 1.00 3.52 O ATOM 0 H ASP A 63 -1.422 -0.798 7.922 1.00 4.43 H new ATOM 0 HA ASP A 63 -2.782 -2.724 9.666 1.00 42.52 H new ATOM 0 HB2 ASP A 63 -1.459 -0.112 10.515 1.00 31.33 H new ATOM 0 HB3 ASP A 63 -2.094 -1.359 11.570 1.00 31.33 H new ATOM 1002 N SER A 64 -4.598 -0.903 10.461 1.00 52.54 N ATOM 1003 CA SER A 64 -5.768 -0.036 10.610 1.00 31.14 C ATOM 1004 C SER A 64 -5.392 1.376 11.068 1.00 24.14 C ATOM 1005 O SER A 64 -6.140 2.310 10.783 1.00 53.32 O ATOM 1006 CB SER A 64 -6.764 -0.680 11.587 1.00 14.43 C ATOM 1007 OG SER A 64 -8.124 -0.399 11.288 1.00 24.22 O ATOM 0 H SER A 64 -4.518 -1.615 11.187 1.00 52.54 H new ATOM 0 HA SER A 64 -6.234 0.069 9.630 1.00 31.14 H new ATOM 0 HB2 SER A 64 -6.616 -1.760 11.582 1.00 14.43 H new ATOM 0 HB3 SER A 64 -6.544 -0.333 12.597 1.00 14.43 H new ATOM 0 HG SER A 64 -8.701 -0.839 11.946 1.00 24.22 H new ATOM 1013 N GLU A 65 -4.269 1.560 11.769 1.00 24.04 N ATOM 1014 CA GLU A 65 -3.845 2.888 12.228 1.00 64.32 C ATOM 1015 C GLU A 65 -3.331 3.718 11.059 1.00 74.14 C ATOM 1016 O GLU A 65 -3.556 4.928 11.038 1.00 3.43 O ATOM 1017 CB GLU A 65 -2.770 2.816 13.326 1.00 11.25 C ATOM 1018 CG GLU A 65 -3.069 1.728 14.370 1.00 12.34 C ATOM 1019 CD GLU A 65 -2.510 1.968 15.781 1.00 72.24 C ATOM 1020 OE1 GLU A 65 -1.944 3.050 16.070 1.00 35.01 O ATOM 1021 OE2 GLU A 65 -2.728 1.096 16.654 1.00 61.13 O ATOM 0 H GLU A 65 -3.636 0.805 12.032 1.00 24.04 H new ATOM 0 HA GLU A 65 -4.724 3.366 12.659 1.00 64.32 H new ATOM 0 HB2 GLU A 65 -1.800 2.620 12.869 1.00 11.25 H new ATOM 0 HB3 GLU A 65 -2.698 3.783 13.824 1.00 11.25 H new ATOM 0 HG2 GLU A 65 -4.150 1.614 14.445 1.00 12.34 H new ATOM 0 HG3 GLU A 65 -2.673 0.782 14.001 1.00 12.34 H new ATOM 1028 N THR A 66 -2.701 3.064 10.077 1.00 54.12 N ATOM 1029 CA THR A 66 -2.219 3.695 8.861 1.00 32.23 C ATOM 1030 C THR A 66 -3.395 4.303 8.087 1.00 20.33 C ATOM 1031 O THR A 66 -3.272 5.397 7.538 1.00 0.32 O ATOM 1032 CB THR A 66 -1.481 2.655 7.988 1.00 11.21 C ATOM 1033 OG1 THR A 66 -0.951 1.571 8.734 1.00 13.33 O ATOM 1034 CG2 THR A 66 -0.354 3.320 7.204 1.00 13.41 C ATOM 0 H THR A 66 -2.512 2.062 10.114 1.00 54.12 H new ATOM 0 HA THR A 66 -1.523 4.492 9.121 1.00 32.23 H new ATOM 0 HB THR A 66 -2.230 2.249 7.308 1.00 11.21 H new ATOM 0 HG1 THR A 66 -0.366 1.034 8.160 1.00 13.33 H new ATOM 0 HG21 THR A 66 0.155 2.573 6.595 1.00 13.41 H new ATOM 0 HG22 THR A 66 -0.768 4.095 6.558 1.00 13.41 H new ATOM 0 HG23 THR A 66 0.357 3.768 7.898 1.00 13.41 H new ATOM 1042 N MET A 67 -4.541 3.608 8.081 1.00 24.12 N ATOM 1043 CA MET A 67 -5.762 3.903 7.338 1.00 15.14 C ATOM 1044 C MET A 67 -6.567 5.034 8.001 1.00 20.34 C ATOM 1045 O MET A 67 -7.768 4.903 8.242 1.00 15.52 O ATOM 1046 CB MET A 67 -6.580 2.605 7.182 1.00 73.04 C ATOM 1047 CG MET A 67 -5.898 1.557 6.286 1.00 73.42 C ATOM 1048 SD MET A 67 -5.608 2.019 4.551 1.00 53.10 S ATOM 1049 CE MET A 67 -7.292 2.343 3.988 1.00 73.32 C ATOM 0 H MET A 67 -4.640 2.761 8.640 1.00 24.12 H new ATOM 0 HA MET A 67 -5.505 4.269 6.344 1.00 15.14 H new ATOM 0 HB2 MET A 67 -6.753 2.172 8.168 1.00 73.04 H new ATOM 0 HB3 MET A 67 -7.557 2.848 6.765 1.00 73.04 H new ATOM 0 HG2 MET A 67 -4.938 1.302 6.734 1.00 73.42 H new ATOM 0 HG3 MET A 67 -6.506 0.653 6.299 1.00 73.42 H new ATOM 0 HE1 MET A 67 -7.291 2.499 2.909 1.00 73.32 H new ATOM 0 HE2 MET A 67 -7.927 1.491 4.232 1.00 73.32 H new ATOM 0 HE3 MET A 67 -7.676 3.235 4.483 1.00 73.32 H new ATOM 1059 N LYS A 68 -5.905 6.148 8.312 1.00 40.33 N ATOM 1060 CA LYS A 68 -6.493 7.426 8.702 1.00 23.35 C ATOM 1061 C LYS A 68 -5.704 8.530 7.984 1.00 42.42 C ATOM 1062 O LYS A 68 -4.481 8.431 7.871 1.00 63.43 O ATOM 1063 CB LYS A 68 -6.424 7.587 10.236 1.00 41.21 C ATOM 1064 CG LYS A 68 -7.532 6.859 11.027 1.00 4.53 C ATOM 1065 CD LYS A 68 -7.146 5.471 11.572 1.00 12.54 C ATOM 1066 CE LYS A 68 -8.244 4.990 12.536 1.00 21.21 C ATOM 1067 NZ LYS A 68 -7.982 3.650 13.104 1.00 20.44 N ATOM 0 H LYS A 68 -4.886 6.183 8.297 1.00 40.33 H new ATOM 0 HA LYS A 68 -7.544 7.483 8.419 1.00 23.35 H new ATOM 0 HB2 LYS A 68 -5.456 7.222 10.580 1.00 41.21 H new ATOM 0 HB3 LYS A 68 -6.468 8.649 10.476 1.00 41.21 H new ATOM 0 HG2 LYS A 68 -7.832 7.489 11.864 1.00 4.53 H new ATOM 0 HG3 LYS A 68 -8.404 6.749 10.382 1.00 4.53 H new ATOM 0 HD2 LYS A 68 -7.029 4.763 10.751 1.00 12.54 H new ATOM 0 HD3 LYS A 68 -6.187 5.522 12.088 1.00 12.54 H new ATOM 0 HE2 LYS A 68 -8.343 5.708 13.350 1.00 21.21 H new ATOM 0 HE3 LYS A 68 -9.198 4.973 12.009 1.00 21.21 H new ATOM 0 HZ1 LYS A 68 -8.884 3.154 13.253 1.00 20.44 H new ATOM 0 HZ2 LYS A 68 -7.391 3.103 12.446 1.00 20.44 H new ATOM 0 HZ3 LYS A 68 -7.487 3.749 14.013 1.00 20.44 H new ATOM 1081 N GLU A 69 -6.375 9.574 7.479 1.00 43.31 N ATOM 1082 CA GLU A 69 -5.664 10.734 6.928 1.00 15.35 C ATOM 1083 C GLU A 69 -5.207 11.614 8.099 1.00 74.44 C ATOM 1084 O GLU A 69 -5.973 11.791 9.051 1.00 21.02 O ATOM 1085 CB GLU A 69 -6.555 11.627 6.038 1.00 75.43 C ATOM 1086 CG GLU A 69 -7.384 10.989 4.917 1.00 62.43 C ATOM 1087 CD GLU A 69 -6.659 10.203 3.840 1.00 3.05 C ATOM 1088 OE1 GLU A 69 -5.416 10.162 3.865 1.00 21.52 O ATOM 1089 OE2 GLU A 69 -7.388 9.724 2.936 1.00 53.13 O ATOM 0 H GLU A 69 -7.392 9.639 7.441 1.00 43.31 H new ATOM 0 HA GLU A 69 -4.844 10.346 6.324 1.00 15.35 H new ATOM 0 HB2 GLU A 69 -7.246 12.156 6.694 1.00 75.43 H new ATOM 0 HB3 GLU A 69 -5.911 12.378 5.581 1.00 75.43 H new ATOM 0 HG2 GLU A 69 -8.112 10.323 5.380 1.00 62.43 H new ATOM 0 HG3 GLU A 69 -7.946 11.784 4.426 1.00 62.43 H new ATOM 1096 N GLU A 70 -4.070 12.295 7.985 1.00 63.31 N ATOM 1097 CA GLU A 70 -3.663 13.397 8.862 1.00 63.42 C ATOM 1098 C GLU A 70 -2.807 14.381 8.054 1.00 72.42 C ATOM 1099 O GLU A 70 -2.497 14.130 6.892 1.00 11.23 O ATOM 1100 CB GLU A 70 -2.914 12.841 10.091 1.00 74.32 C ATOM 1101 CG GLU A 70 -2.925 13.739 11.343 1.00 11.23 C ATOM 1102 CD GLU A 70 -4.341 14.135 11.778 1.00 54.50 C ATOM 1103 OE1 GLU A 70 -5.162 13.233 12.052 1.00 15.14 O ATOM 1104 OE2 GLU A 70 -4.649 15.351 11.821 1.00 52.34 O ATOM 0 H GLU A 70 -3.383 12.092 7.259 1.00 63.31 H new ATOM 0 HA GLU A 70 -4.535 13.933 9.236 1.00 63.42 H new ATOM 0 HB2 GLU A 70 -3.350 11.877 10.354 1.00 74.32 H new ATOM 0 HB3 GLU A 70 -1.878 12.655 9.809 1.00 74.32 H new ATOM 0 HG2 GLU A 70 -2.431 13.218 12.163 1.00 11.23 H new ATOM 0 HG3 GLU A 70 -2.346 14.640 11.143 1.00 11.23 H new ATOM 1111 N ARG A 71 -2.429 15.517 8.637 1.00 75.03 N ATOM 1112 CA ARG A 71 -1.578 16.522 8.022 1.00 31.31 C ATOM 1113 C ARG A 71 -0.755 17.161 9.132 1.00 34.13 C ATOM 1114 O ARG A 71 -1.234 18.068 9.813 1.00 42.31 O ATOM 1115 CB ARG A 71 -2.460 17.508 7.242 1.00 51.44 C ATOM 1116 CG ARG A 71 -1.662 18.616 6.553 1.00 64.24 C ATOM 1117 CD ARG A 71 -1.642 19.892 7.401 1.00 74.41 C ATOM 1118 NE ARG A 71 -2.074 21.093 6.671 1.00 41.11 N ATOM 1119 CZ ARG A 71 -3.328 21.415 6.333 1.00 42.25 C ATOM 1120 NH1 ARG A 71 -4.311 20.527 6.461 1.00 75.03 N ATOM 1121 NH2 ARG A 71 -3.595 22.629 5.864 1.00 72.12 N ATOM 0 H ARG A 71 -2.719 15.767 9.582 1.00 75.03 H new ATOM 0 HA ARG A 71 -0.880 16.105 7.296 1.00 31.31 H new ATOM 0 HB2 ARG A 71 -3.031 16.960 6.492 1.00 51.44 H new ATOM 0 HB3 ARG A 71 -3.181 17.959 7.924 1.00 51.44 H new ATOM 0 HG2 ARG A 71 -0.641 18.277 6.377 1.00 64.24 H new ATOM 0 HG3 ARG A 71 -2.099 18.831 5.578 1.00 64.24 H new ATOM 0 HD2 ARG A 71 -2.288 19.752 8.268 1.00 74.41 H new ATOM 0 HD3 ARG A 71 -0.632 20.051 7.779 1.00 74.41 H new ATOM 0 HE ARG A 71 -1.343 21.748 6.394 1.00 41.11 H new ATOM 0 HH11 ARG A 71 -4.111 19.593 6.819 1.00 75.03 H new ATOM 0 HH12 ARG A 71 -5.264 20.780 6.201 1.00 75.03 H new ATOM 0 HH21 ARG A 71 -2.845 23.313 5.762 1.00 72.12 H new ATOM 0 HH22 ARG A 71 -4.550 22.877 5.606 1.00 72.12 H new ATOM 1135 N ILE A 72 0.444 16.640 9.371 1.00 53.21 N ATOM 1136 CA ILE A 72 1.324 17.073 10.446 1.00 60.12 C ATOM 1137 C ILE A 72 2.234 18.141 9.860 1.00 71.30 C ATOM 1138 O ILE A 72 3.133 17.834 9.080 1.00 13.41 O ATOM 1139 CB ILE A 72 2.076 15.870 11.056 1.00 1.13 C ATOM 1140 CG1 ILE A 72 1.038 14.851 11.603 1.00 3.44 C ATOM 1141 CG2 ILE A 72 3.022 16.317 12.187 1.00 42.50 C ATOM 1142 CD1 ILE A 72 0.930 13.608 10.721 1.00 63.31 C ATOM 0 H ILE A 72 0.839 15.887 8.808 1.00 53.21 H new ATOM 0 HA ILE A 72 0.773 17.502 11.282 1.00 60.12 H new ATOM 0 HB ILE A 72 2.684 15.405 10.280 1.00 1.13 H new ATOM 0 HG12 ILE A 72 1.320 14.554 12.613 1.00 3.44 H new ATOM 0 HG13 ILE A 72 0.062 15.331 11.673 1.00 3.44 H new ATOM 0 HG21 ILE A 72 3.537 15.447 12.596 1.00 42.50 H new ATOM 0 HG22 ILE A 72 3.755 17.020 11.792 1.00 42.50 H new ATOM 0 HG23 ILE A 72 2.444 16.800 12.975 1.00 42.50 H new ATOM 0 HD11 ILE A 72 0.193 12.925 11.143 1.00 63.31 H new ATOM 0 HD12 ILE A 72 0.621 13.900 9.717 1.00 63.31 H new ATOM 0 HD13 ILE A 72 1.899 13.111 10.672 1.00 63.31 H new ATOM 1154 N THR A 73 1.962 19.401 10.176 1.00 0.54 N ATOM 1155 CA THR A 73 2.815 20.498 9.757 1.00 14.32 C ATOM 1156 C THR A 73 4.015 20.536 10.710 1.00 72.33 C ATOM 1157 O THR A 73 3.833 20.524 11.930 1.00 43.20 O ATOM 1158 CB THR A 73 1.979 21.791 9.660 1.00 24.01 C ATOM 1159 OG1 THR A 73 2.730 22.802 9.041 1.00 73.04 O ATOM 1160 CG2 THR A 73 1.406 22.308 10.982 1.00 32.34 C ATOM 0 H THR A 73 1.151 19.686 10.725 1.00 0.54 H new ATOM 0 HA THR A 73 3.225 20.371 8.755 1.00 14.32 H new ATOM 0 HB THR A 73 1.111 21.519 9.060 1.00 24.01 H new ATOM 0 HG1 THR A 73 2.192 23.619 8.981 1.00 73.04 H new ATOM 0 HG21 THR A 73 0.837 23.219 10.800 1.00 32.34 H new ATOM 0 HG22 THR A 73 0.752 21.552 11.415 1.00 32.34 H new ATOM 0 HG23 THR A 73 2.221 22.521 11.673 1.00 32.34 H new ATOM 1168 N GLN A 74 5.236 20.489 10.174 1.00 32.22 N ATOM 1169 CA GLN A 74 6.479 20.661 10.906 1.00 71.12 C ATOM 1170 C GLN A 74 7.179 21.922 10.397 1.00 14.11 C ATOM 1171 O GLN A 74 6.711 22.575 9.462 1.00 41.12 O ATOM 1172 CB GLN A 74 7.384 19.421 10.778 1.00 40.40 C ATOM 1173 CG GLN A 74 6.652 18.079 10.840 1.00 62.13 C ATOM 1174 CD GLN A 74 7.607 16.884 10.734 1.00 22.01 C ATOM 1175 OE1 GLN A 74 8.704 16.961 10.180 1.00 32.03 O ATOM 1176 NE2 GLN A 74 7.213 15.736 11.259 1.00 54.50 N ATOM 0 H GLN A 74 5.385 20.323 9.179 1.00 32.22 H new ATOM 0 HA GLN A 74 6.260 20.775 11.968 1.00 71.12 H new ATOM 0 HB2 GLN A 74 7.925 19.480 9.833 1.00 40.40 H new ATOM 0 HB3 GLN A 74 8.129 19.449 11.574 1.00 40.40 H new ATOM 0 HG2 GLN A 74 6.097 18.014 11.776 1.00 62.13 H new ATOM 0 HG3 GLN A 74 5.922 18.029 10.032 1.00 62.13 H new ATOM 0 HE21 GLN A 74 6.305 15.670 11.718 1.00 54.50 H new ATOM 0 HE22 GLN A 74 7.817 14.916 11.205 1.00 54.50 H new ATOM 1185 N GLU A 75 8.310 22.252 11.016 1.00 2.21 N ATOM 1186 CA GLU A 75 9.275 23.245 10.544 1.00 20.04 C ATOM 1187 C GLU A 75 10.682 22.648 10.440 1.00 3.11 C ATOM 1188 O GLU A 75 11.620 23.347 10.059 1.00 62.14 O ATOM 1189 CB GLU A 75 9.267 24.425 11.517 1.00 0.24 C ATOM 1190 CG GLU A 75 8.099 25.378 11.260 1.00 3.33 C ATOM 1191 CD GLU A 75 8.253 26.121 9.930 1.00 53.13 C ATOM 1192 OE1 GLU A 75 8.904 27.194 9.908 1.00 53.13 O ATOM 1193 OE2 GLU A 75 7.686 25.660 8.915 1.00 33.33 O ATOM 0 H GLU A 75 8.592 21.818 11.895 1.00 2.21 H new ATOM 0 HA GLU A 75 8.991 23.578 9.546 1.00 20.04 H new ATOM 0 HB2 GLU A 75 9.210 24.050 12.539 1.00 0.24 H new ATOM 0 HB3 GLU A 75 10.206 24.972 11.430 1.00 0.24 H new ATOM 0 HG2 GLU A 75 7.165 24.816 11.256 1.00 3.33 H new ATOM 0 HG3 GLU A 75 8.033 26.100 12.074 1.00 3.33 H new ATOM 1200 N GLU A 76 10.826 21.365 10.770 1.00 62.33 N ATOM 1201 CA GLU A 76 12.105 20.686 10.929 1.00 42.41 C ATOM 1202 C GLU A 76 12.452 19.673 9.821 1.00 20.15 C ATOM 1203 O GLU A 76 13.523 19.058 9.891 1.00 72.22 O ATOM 1204 CB GLU A 76 12.345 20.312 12.393 1.00 51.52 C ATOM 1205 CG GLU A 76 11.716 18.975 12.610 1.00 42.44 C ATOM 1206 CD GLU A 76 12.013 18.349 13.975 1.00 12.14 C ATOM 1207 OE1 GLU A 76 13.207 18.277 14.353 1.00 51.53 O ATOM 1208 OE2 GLU A 76 11.078 17.827 14.630 1.00 20.11 O ATOM 0 H GLU A 76 10.028 20.753 10.939 1.00 62.33 H new ATOM 0 HA GLU A 76 12.909 21.392 10.720 1.00 42.41 H new ATOM 0 HB2 GLU A 76 13.412 20.276 12.612 1.00 51.52 H new ATOM 0 HB3 GLU A 76 11.908 21.057 13.058 1.00 51.52 H new ATOM 0 HG2 GLU A 76 10.636 19.072 12.496 1.00 42.44 H new ATOM 0 HG3 GLU A 76 12.059 18.295 11.830 1.00 42.44 H new ATOM 1215 N GLY A 77 11.598 19.476 8.811 1.00 63.30 N ATOM 1216 CA GLY A 77 11.882 18.508 7.752 1.00 3.14 C ATOM 1217 C GLY A 77 10.894 18.589 6.596 1.00 60.11 C ATOM 1218 O GLY A 77 11.316 18.619 5.435 1.00 74.41 O ATOM 0 H GLY A 77 10.712 19.971 8.707 1.00 63.30 H new ATOM 0 HA2 GLY A 77 12.891 18.676 7.374 1.00 3.14 H new ATOM 0 HA3 GLY A 77 11.862 17.502 8.171 1.00 3.14 H new ATOM 1222 N GLY A 78 9.598 18.648 6.900 1.00 1.44 N ATOM 1223 CA GLY A 78 8.562 18.870 5.911 1.00 3.14 C ATOM 1224 C GLY A 78 7.184 18.855 6.555 1.00 41.20 C ATOM 1225 O GLY A 78 7.028 18.499 7.721 1.00 22.23 O ATOM 0 H GLY A 78 9.242 18.541 7.850 1.00 1.44 H new ATOM 0 HA2 GLY A 78 8.726 19.827 5.416 1.00 3.14 H new ATOM 0 HA3 GLY A 78 8.617 18.099 5.142 1.00 3.14 H new ATOM 1229 N ILE A 79 6.152 19.162 5.775 1.00 41.24 N ATOM 1230 CA ILE A 79 4.759 19.039 6.189 1.00 22.01 C ATOM 1231 C ILE A 79 4.254 17.669 5.739 1.00 34.31 C ATOM 1232 O ILE A 79 4.126 17.436 4.543 1.00 32.41 O ATOM 1233 CB ILE A 79 3.972 20.246 5.616 1.00 32.12 C ATOM 1234 CG1 ILE A 79 4.454 21.551 6.293 1.00 51.51 C ATOM 1235 CG2 ILE A 79 2.446 20.079 5.739 1.00 44.43 C ATOM 1236 CD1 ILE A 79 3.945 22.837 5.632 1.00 43.54 C ATOM 0 H ILE A 79 6.262 19.509 4.822 1.00 41.24 H new ATOM 0 HA ILE A 79 4.625 19.078 7.270 1.00 22.01 H new ATOM 0 HB ILE A 79 4.179 20.298 4.547 1.00 32.12 H new ATOM 0 HG12 ILE A 79 4.136 21.543 7.336 1.00 51.51 H new ATOM 0 HG13 ILE A 79 5.544 21.564 6.292 1.00 51.51 H new ATOM 0 HG21 ILE A 79 1.949 20.955 5.321 1.00 44.43 H new ATOM 0 HG22 ILE A 79 2.132 19.189 5.193 1.00 44.43 H new ATOM 0 HG23 ILE A 79 2.175 19.975 6.790 1.00 44.43 H new ATOM 0 HD11 ILE A 79 4.332 23.701 6.172 1.00 43.54 H new ATOM 0 HD12 ILE A 79 4.285 22.873 4.597 1.00 43.54 H new ATOM 0 HD13 ILE A 79 2.855 22.852 5.656 1.00 43.54 H new ATOM 1248 N TYR A 80 4.038 16.737 6.670 1.00 44.41 N ATOM 1249 CA TYR A 80 3.676 15.352 6.391 1.00 44.10 C ATOM 1250 C TYR A 80 2.166 15.221 6.140 1.00 44.30 C ATOM 1251 O TYR A 80 1.370 15.168 7.085 1.00 72.00 O ATOM 1252 CB TYR A 80 4.136 14.451 7.548 1.00 74.23 C ATOM 1253 CG TYR A 80 4.126 12.985 7.166 1.00 41.31 C ATOM 1254 CD1 TYR A 80 5.019 12.487 6.197 1.00 53.14 C ATOM 1255 CD2 TYR A 80 3.171 12.130 7.735 1.00 75.32 C ATOM 1256 CE1 TYR A 80 4.938 11.144 5.784 1.00 2.34 C ATOM 1257 CE2 TYR A 80 3.059 10.800 7.302 1.00 0.44 C ATOM 1258 CZ TYR A 80 3.949 10.296 6.333 1.00 0.11 C ATOM 1259 OH TYR A 80 3.875 8.991 5.970 1.00 12.12 O ATOM 0 H TYR A 80 4.113 16.935 7.668 1.00 44.41 H new ATOM 0 HA TYR A 80 4.183 15.028 5.482 1.00 44.10 H new ATOM 0 HB2 TYR A 80 5.142 14.739 7.853 1.00 74.23 H new ATOM 0 HB3 TYR A 80 3.485 14.606 8.408 1.00 74.23 H new ATOM 0 HD1 TYR A 80 5.768 13.138 5.770 1.00 53.14 H new ATOM 0 HD2 TYR A 80 2.517 12.498 8.512 1.00 75.32 H new ATOM 0 HE1 TYR A 80 5.630 10.762 5.049 1.00 2.34 H new ATOM 0 HE2 TYR A 80 2.290 10.162 7.712 1.00 0.44 H new ATOM 0 HH TYR A 80 3.136 8.560 6.448 1.00 12.12 H new ATOM 1269 N VAL A 81 1.739 15.182 4.880 1.00 35.23 N ATOM 1270 CA VAL A 81 0.335 15.118 4.477 1.00 51.44 C ATOM 1271 C VAL A 81 -0.101 13.653 4.310 1.00 1.33 C ATOM 1272 O VAL A 81 0.718 12.772 4.063 1.00 23.31 O ATOM 1273 CB VAL A 81 0.155 15.930 3.169 1.00 55.23 C ATOM 1274 CG1 VAL A 81 -1.319 16.067 2.752 1.00 63.20 C ATOM 1275 CG2 VAL A 81 0.692 17.364 3.313 1.00 63.13 C ATOM 0 H VAL A 81 2.380 15.194 4.086 1.00 35.23 H new ATOM 0 HA VAL A 81 -0.302 15.556 5.246 1.00 51.44 H new ATOM 0 HB VAL A 81 0.711 15.369 2.418 1.00 55.23 H new ATOM 0 HG11 VAL A 81 -1.384 16.645 1.830 1.00 63.20 H new ATOM 0 HG12 VAL A 81 -1.745 15.077 2.591 1.00 63.20 H new ATOM 0 HG13 VAL A 81 -1.874 16.577 3.540 1.00 63.20 H new ATOM 0 HG21 VAL A 81 0.548 17.902 2.376 1.00 63.13 H new ATOM 0 HG22 VAL A 81 0.154 17.875 4.111 1.00 63.13 H new ATOM 0 HG23 VAL A 81 1.755 17.332 3.554 1.00 63.13 H new ATOM 1285 N SER A 82 -1.398 13.399 4.447 1.00 72.40 N ATOM 1286 CA SER A 82 -2.158 12.324 3.833 1.00 40.14 C ATOM 1287 C SER A 82 -3.491 12.959 3.440 1.00 24.42 C ATOM 1288 O SER A 82 -4.056 13.714 4.242 1.00 41.24 O ATOM 1289 CB SER A 82 -2.468 11.202 4.832 1.00 11.23 C ATOM 1290 OG SER A 82 -1.380 10.808 5.655 1.00 52.14 O ATOM 0 H SER A 82 -1.988 13.987 5.036 1.00 72.40 H new ATOM 0 HA SER A 82 -1.598 11.893 3.003 1.00 40.14 H new ATOM 0 HB2 SER A 82 -3.289 11.524 5.472 1.00 11.23 H new ATOM 0 HB3 SER A 82 -2.818 10.331 4.278 1.00 11.23 H new ATOM 0 HG SER A 82 -1.669 10.092 6.259 1.00 52.14 H new ATOM 1296 N LYS A 83 -4.020 12.686 2.255 1.00 75.21 N ATOM 1297 CA LYS A 83 -5.465 12.712 2.002 1.00 3.31 C ATOM 1298 C LYS A 83 -5.744 11.990 0.700 1.00 45.40 C ATOM 1299 O LYS A 83 -5.025 12.158 -0.287 1.00 54.20 O ATOM 1300 CB LYS A 83 -6.073 14.120 1.969 1.00 52.43 C ATOM 1301 CG LYS A 83 -5.415 15.116 1.004 1.00 12.21 C ATOM 1302 CD LYS A 83 -5.812 16.559 1.334 1.00 62.13 C ATOM 1303 CE LYS A 83 -4.815 17.122 2.354 1.00 60.52 C ATOM 1304 NZ LYS A 83 -5.234 18.426 2.897 1.00 55.31 N ATOM 0 H LYS A 83 -3.463 12.439 1.437 1.00 75.21 H new ATOM 0 HA LYS A 83 -5.944 12.210 2.842 1.00 3.31 H new ATOM 0 HB2 LYS A 83 -7.127 14.033 1.706 1.00 52.43 H new ATOM 0 HB3 LYS A 83 -6.029 14.537 2.975 1.00 52.43 H new ATOM 0 HG2 LYS A 83 -4.331 15.014 1.057 1.00 12.21 H new ATOM 0 HG3 LYS A 83 -5.708 14.881 -0.019 1.00 12.21 H new ATOM 0 HD2 LYS A 83 -5.811 17.167 0.430 1.00 62.13 H new ATOM 0 HD3 LYS A 83 -6.824 16.590 1.738 1.00 62.13 H new ATOM 0 HE2 LYS A 83 -4.699 16.412 3.173 1.00 60.52 H new ATOM 0 HE3 LYS A 83 -3.838 17.226 1.882 1.00 60.52 H new ATOM 0 HZ1 LYS A 83 -4.526 18.761 3.581 1.00 55.31 H new ATOM 0 HZ2 LYS A 83 -5.319 19.114 2.122 1.00 55.31 H new ATOM 0 HZ3 LYS A 83 -6.153 18.325 3.373 1.00 55.31 H new ATOM 1318 N PHE A 84 -6.875 11.295 0.676 1.00 25.41 N ATOM 1319 CA PHE A 84 -7.441 10.636 -0.488 1.00 2.12 C ATOM 1320 C PHE A 84 -7.373 11.563 -1.696 1.00 64.43 C ATOM 1321 O PHE A 84 -7.794 12.720 -1.614 1.00 10.13 O ATOM 1322 CB PHE A 84 -8.891 10.215 -0.189 1.00 45.30 C ATOM 1323 CG PHE A 84 -9.811 11.284 0.399 1.00 21.42 C ATOM 1324 CD1 PHE A 84 -10.433 12.236 -0.431 1.00 44.01 C ATOM 1325 CD2 PHE A 84 -10.087 11.306 1.781 1.00 74.41 C ATOM 1326 CE1 PHE A 84 -11.326 13.178 0.108 1.00 3.04 C ATOM 1327 CE2 PHE A 84 -10.998 12.228 2.320 1.00 3.12 C ATOM 1328 CZ PHE A 84 -11.626 13.159 1.480 1.00 3.14 C ATOM 0 H PHE A 84 -7.448 11.172 1.511 1.00 25.41 H new ATOM 0 HA PHE A 84 -6.864 9.740 -0.719 1.00 2.12 H new ATOM 0 HB2 PHE A 84 -9.338 9.854 -1.115 1.00 45.30 H new ATOM 0 HB3 PHE A 84 -8.865 9.372 0.502 1.00 45.30 H new ATOM 0 HD1 PHE A 84 -10.222 12.242 -1.490 1.00 44.01 H new ATOM 0 HD2 PHE A 84 -9.591 10.604 2.434 1.00 74.41 H new ATOM 0 HE1 PHE A 84 -11.782 13.917 -0.534 1.00 3.04 H new ATOM 0 HE2 PHE A 84 -11.215 12.220 3.378 1.00 3.12 H new ATOM 0 HZ PHE A 84 -12.339 13.860 1.887 1.00 3.14 H new ATOM 1338 N THR A 85 -6.834 11.062 -2.805 1.00 21.55 N ATOM 1339 CA THR A 85 -6.822 11.833 -4.044 1.00 65.34 C ATOM 1340 C THR A 85 -8.182 11.775 -4.766 1.00 12.05 C ATOM 1341 O THR A 85 -8.616 12.763 -5.360 1.00 11.40 O ATOM 1342 CB THR A 85 -5.644 11.396 -4.932 1.00 3.22 C ATOM 1343 OG1 THR A 85 -5.873 10.138 -5.525 1.00 43.04 O ATOM 1344 CG2 THR A 85 -4.320 11.295 -4.165 1.00 54.31 C ATOM 0 H THR A 85 -6.406 10.139 -2.871 1.00 21.55 H new ATOM 0 HA THR A 85 -6.667 12.884 -3.801 1.00 65.34 H new ATOM 0 HB THR A 85 -5.569 12.175 -5.691 1.00 3.22 H new ATOM 0 HG1 THR A 85 -5.105 9.895 -6.083 1.00 43.04 H new ATOM 0 HG21 THR A 85 -3.528 10.983 -4.846 1.00 54.31 H new ATOM 0 HG22 THR A 85 -4.071 12.267 -3.740 1.00 54.31 H new ATOM 0 HG23 THR A 85 -4.419 10.563 -3.363 1.00 54.31 H new ATOM 1352 N LEU A 86 -8.887 10.637 -4.676 1.00 63.11 N ATOM 1353 CA LEU A 86 -10.095 10.323 -5.439 1.00 33.33 C ATOM 1354 C LEU A 86 -11.233 9.977 -4.481 1.00 62.32 C ATOM 1355 O LEU A 86 -11.017 9.285 -3.482 1.00 25.20 O ATOM 1356 CB LEU A 86 -9.800 9.119 -6.356 1.00 64.51 C ATOM 1357 CG LEU A 86 -10.944 8.700 -7.304 1.00 13.22 C ATOM 1358 CD1 LEU A 86 -11.117 9.716 -8.435 1.00 71.22 C ATOM 1359 CD2 LEU A 86 -10.666 7.317 -7.903 1.00 61.21 C ATOM 0 H LEU A 86 -8.617 9.884 -4.044 1.00 63.11 H new ATOM 0 HA LEU A 86 -10.390 11.183 -6.040 1.00 33.33 H new ATOM 0 HB2 LEU A 86 -8.922 9.352 -6.958 1.00 64.51 H new ATOM 0 HB3 LEU A 86 -9.541 8.265 -5.730 1.00 64.51 H new ATOM 0 HG LEU A 86 -11.863 8.663 -6.719 1.00 13.22 H new ATOM 0 HD11 LEU A 86 -11.929 9.398 -9.089 1.00 71.22 H new ATOM 0 HD12 LEU A 86 -11.352 10.693 -8.013 1.00 71.22 H new ATOM 0 HD13 LEU A 86 -10.193 9.782 -9.010 1.00 71.22 H new ATOM 0 HD21 LEU A 86 -11.483 7.038 -8.569 1.00 61.21 H new ATOM 0 HD22 LEU A 86 -9.733 7.345 -8.466 1.00 61.21 H new ATOM 0 HD23 LEU A 86 -10.584 6.583 -7.101 1.00 61.21 H new ATOM 1371 N ASN A 87 -12.459 10.383 -4.818 1.00 4.30 N ATOM 1372 CA ASN A 87 -13.681 9.942 -4.153 1.00 74.44 C ATOM 1373 C ASN A 87 -14.631 9.370 -5.191 1.00 21.22 C ATOM 1374 O ASN A 87 -15.588 10.032 -5.605 1.00 14.31 O ATOM 1375 CB ASN A 87 -14.358 11.068 -3.357 1.00 42.05 C ATOM 1376 CG ASN A 87 -13.623 11.514 -2.107 1.00 44.41 C ATOM 1377 OD1 ASN A 87 -13.880 12.607 -1.613 1.00 41.43 O ATOM 1378 ND2 ASN A 87 -12.730 10.721 -1.541 1.00 63.41 N ATOM 0 H ASN A 87 -12.631 11.042 -5.578 1.00 4.30 H new ATOM 0 HA ASN A 87 -13.414 9.173 -3.428 1.00 74.44 H new ATOM 0 HB2 ASN A 87 -14.481 11.930 -4.013 1.00 42.05 H new ATOM 0 HB3 ASN A 87 -15.357 10.739 -3.072 1.00 42.05 H new ATOM 0 HD21 ASN A 87 -12.252 11.017 -0.690 1.00 63.41 H new ATOM 0 HD22 ASN A 87 -12.519 9.813 -1.955 1.00 63.41 H new ATOM 1385 N GLU A 88 -14.352 8.145 -5.625 1.00 30.10 N ATOM 1386 CA GLU A 88 -15.240 7.360 -6.465 1.00 21.20 C ATOM 1387 C GLU A 88 -15.797 6.190 -5.650 1.00 13.24 C ATOM 1388 O GLU A 88 -15.296 5.879 -4.556 1.00 34.11 O ATOM 1389 CB GLU A 88 -14.471 6.928 -7.721 1.00 62.33 C ATOM 1390 CG GLU A 88 -14.361 8.112 -8.684 1.00 63.13 C ATOM 1391 CD GLU A 88 -15.574 8.396 -9.573 1.00 12.22 C ATOM 1392 OE1 GLU A 88 -16.724 8.136 -9.161 1.00 23.31 O ATOM 1393 OE2 GLU A 88 -15.363 8.992 -10.654 1.00 12.11 O ATOM 0 H GLU A 88 -13.483 7.663 -5.396 1.00 30.10 H new ATOM 0 HA GLU A 88 -16.099 7.940 -6.801 1.00 21.20 H new ATOM 0 HB2 GLU A 88 -13.477 6.574 -7.448 1.00 62.33 H new ATOM 0 HB3 GLU A 88 -14.983 6.097 -8.206 1.00 62.33 H new ATOM 0 HG2 GLU A 88 -14.152 9.007 -8.098 1.00 63.13 H new ATOM 0 HG3 GLU A 88 -13.499 7.945 -9.330 1.00 63.13 H new ATOM 1400 N PRO A 89 -16.879 5.562 -6.140 1.00 44.11 N ATOM 1401 CA PRO A 89 -17.652 4.635 -5.342 1.00 44.11 C ATOM 1402 C PRO A 89 -16.918 3.304 -5.270 1.00 10.31 C ATOM 1403 O PRO A 89 -16.624 2.840 -4.174 1.00 14.40 O ATOM 1404 CB PRO A 89 -19.024 4.555 -6.016 1.00 50.21 C ATOM 1405 CG PRO A 89 -18.743 4.913 -7.475 1.00 73.44 C ATOM 1406 CD PRO A 89 -17.532 5.827 -7.412 1.00 11.40 C ATOM 0 HA PRO A 89 -17.784 4.949 -4.307 1.00 44.11 H new ATOM 0 HB2 PRO A 89 -19.455 3.558 -5.926 1.00 50.21 H new ATOM 0 HB3 PRO A 89 -19.732 5.250 -5.564 1.00 50.21 H new ATOM 0 HG2 PRO A 89 -18.539 4.023 -8.070 1.00 73.44 H new ATOM 0 HG3 PRO A 89 -19.596 5.414 -7.933 1.00 73.44 H new ATOM 0 HD2 PRO A 89 -16.855 5.631 -8.244 1.00 11.40 H new ATOM 0 HD3 PRO A 89 -17.831 6.873 -7.484 1.00 11.40 H new ATOM 1414 N LYS A 90 -16.587 2.711 -6.417 1.00 44.02 N ATOM 1415 CA LYS A 90 -15.963 1.396 -6.530 1.00 25.22 C ATOM 1416 C LYS A 90 -14.428 1.461 -6.564 1.00 13.32 C ATOM 1417 O LYS A 90 -13.804 0.415 -6.425 1.00 61.11 O ATOM 1418 CB LYS A 90 -16.504 0.716 -7.803 1.00 42.04 C ATOM 1419 CG LYS A 90 -17.868 -0.011 -7.729 1.00 3.03 C ATOM 1420 CD LYS A 90 -18.936 0.416 -6.711 1.00 51.03 C ATOM 1421 CE LYS A 90 -18.698 -0.221 -5.329 1.00 10.21 C ATOM 1422 NZ LYS A 90 -19.910 -0.895 -4.815 1.00 30.13 N ATOM 0 H LYS A 90 -16.752 3.149 -7.323 1.00 44.02 H new ATOM 0 HA LYS A 90 -16.217 0.818 -5.642 1.00 25.22 H new ATOM 0 HB2 LYS A 90 -16.576 1.477 -8.580 1.00 42.04 H new ATOM 0 HB3 LYS A 90 -15.760 -0.008 -8.134 1.00 42.04 H new ATOM 0 HG2 LYS A 90 -18.322 0.060 -8.717 1.00 3.03 H new ATOM 0 HG3 LYS A 90 -17.659 -1.066 -7.549 1.00 3.03 H new ATOM 0 HD2 LYS A 90 -18.933 1.502 -6.616 1.00 51.03 H new ATOM 0 HD3 LYS A 90 -19.922 0.130 -7.078 1.00 51.03 H new ATOM 0 HE2 LYS A 90 -17.883 -0.942 -5.397 1.00 10.21 H new ATOM 0 HE3 LYS A 90 -18.384 0.549 -4.624 1.00 10.21 H new ATOM 0 HZ1 LYS A 90 -19.708 -1.310 -3.883 1.00 30.13 H new ATOM 0 HZ2 LYS A 90 -20.681 -0.202 -4.725 1.00 30.13 H new ATOM 0 HZ3 LYS A 90 -20.195 -1.647 -5.475 1.00 30.13 H new ATOM 1436 N HIS A 91 -13.807 2.638 -6.701 1.00 34.15 N ATOM 1437 CA HIS A 91 -12.361 2.818 -6.810 1.00 34.22 C ATOM 1438 C HIS A 91 -11.971 3.876 -5.789 1.00 30.13 C ATOM 1439 O HIS A 91 -12.708 4.846 -5.609 1.00 12.23 O ATOM 1440 CB HIS A 91 -12.004 3.289 -8.233 1.00 32.42 C ATOM 1441 CG HIS A 91 -10.544 3.586 -8.483 1.00 4.02 C ATOM 1442 ND1 HIS A 91 -10.066 4.507 -9.390 1.00 11.45 N ATOM 1443 CD2 HIS A 91 -9.456 2.997 -7.889 1.00 11.22 C ATOM 1444 CE1 HIS A 91 -8.727 4.486 -9.319 1.00 65.11 C ATOM 1445 NE2 HIS A 91 -8.309 3.585 -8.417 1.00 63.32 N ATOM 0 H HIS A 91 -14.318 3.520 -6.740 1.00 34.15 H new ATOM 0 HA HIS A 91 -11.829 1.886 -6.621 1.00 34.22 H new ATOM 0 HB2 HIS A 91 -12.325 2.524 -8.939 1.00 32.42 H new ATOM 0 HB3 HIS A 91 -12.580 4.188 -8.453 1.00 32.42 H new ATOM 0 HD2 HIS A 91 -9.484 2.216 -7.144 1.00 11.22 H new ATOM 0 HE1 HIS A 91 -8.073 5.111 -9.909 1.00 65.11 H new ATOM 0 HE2 HIS A 91 -7.343 3.373 -8.167 1.00 63.32 H new ATOM 1453 N LYS A 92 -10.829 3.719 -5.122 1.00 25.44 N ATOM 1454 CA LYS A 92 -10.285 4.748 -4.244 1.00 62.54 C ATOM 1455 C LYS A 92 -8.765 4.672 -4.217 1.00 11.45 C ATOM 1456 O LYS A 92 -8.190 3.615 -4.477 1.00 22.55 O ATOM 1457 CB LYS A 92 -10.874 4.597 -2.832 1.00 14.42 C ATOM 1458 CG LYS A 92 -10.540 3.244 -2.165 1.00 65.14 C ATOM 1459 CD LYS A 92 -11.778 2.575 -1.560 1.00 41.44 C ATOM 1460 CE LYS A 92 -12.347 3.413 -0.413 1.00 25.42 C ATOM 1461 NZ LYS A 92 -13.705 2.978 -0.046 1.00 23.42 N ATOM 0 H LYS A 92 -10.257 2.876 -5.176 1.00 25.44 H new ATOM 0 HA LYS A 92 -10.564 5.729 -4.628 1.00 62.54 H new ATOM 0 HB2 LYS A 92 -10.500 5.405 -2.203 1.00 14.42 H new ATOM 0 HB3 LYS A 92 -11.957 4.709 -2.885 1.00 14.42 H new ATOM 0 HG2 LYS A 92 -10.093 2.578 -2.903 1.00 65.14 H new ATOM 0 HG3 LYS A 92 -9.795 3.400 -1.384 1.00 65.14 H new ATOM 0 HD2 LYS A 92 -12.538 2.443 -2.330 1.00 41.44 H new ATOM 0 HD3 LYS A 92 -11.518 1.581 -1.195 1.00 41.44 H new ATOM 0 HE2 LYS A 92 -11.692 3.335 0.455 1.00 25.42 H new ATOM 0 HE3 LYS A 92 -12.367 4.463 -0.704 1.00 25.42 H new ATOM 0 HZ1 LYS A 92 -14.059 3.567 0.734 1.00 23.42 H new ATOM 0 HZ2 LYS A 92 -14.335 3.076 -0.868 1.00 23.42 H new ATOM 0 HZ3 LYS A 92 -13.681 1.983 0.255 1.00 23.42 H new ATOM 1475 N ILE A 93 -8.143 5.776 -3.811 1.00 22.22 N ATOM 1476 CA ILE A 93 -6.714 5.907 -3.571 1.00 4.42 C ATOM 1477 C ILE A 93 -6.569 6.446 -2.148 1.00 53.01 C ATOM 1478 O ILE A 93 -7.459 7.144 -1.636 1.00 1.15 O ATOM 1479 CB ILE A 93 -6.070 6.820 -4.647 1.00 73.21 C ATOM 1480 CG1 ILE A 93 -6.183 6.191 -6.058 1.00 71.24 C ATOM 1481 CG2 ILE A 93 -4.591 7.143 -4.357 1.00 44.00 C ATOM 1482 CD1 ILE A 93 -7.313 6.787 -6.888 1.00 44.41 C ATOM 0 H ILE A 93 -8.649 6.644 -3.633 1.00 22.22 H new ATOM 0 HA ILE A 93 -6.187 4.956 -3.652 1.00 4.42 H new ATOM 0 HB ILE A 93 -6.631 7.754 -4.612 1.00 73.21 H new ATOM 0 HG12 ILE A 93 -5.240 6.328 -6.587 1.00 71.24 H new ATOM 0 HG13 ILE A 93 -6.340 5.117 -5.959 1.00 71.24 H new ATOM 0 HG21 ILE A 93 -4.197 7.785 -5.145 1.00 44.00 H new ATOM 0 HG22 ILE A 93 -4.512 7.655 -3.398 1.00 44.00 H new ATOM 0 HG23 ILE A 93 -4.016 6.217 -4.322 1.00 44.00 H new ATOM 0 HD11 ILE A 93 -7.340 6.305 -7.865 1.00 44.41 H new ATOM 0 HD12 ILE A 93 -8.263 6.627 -6.378 1.00 44.41 H new ATOM 0 HD13 ILE A 93 -7.146 7.857 -7.016 1.00 44.41 H new ATOM 1494 N PHE A 94 -5.454 6.114 -1.506 1.00 73.34 N ATOM 1495 CA PHE A 94 -5.105 6.539 -0.166 1.00 74.22 C ATOM 1496 C PHE A 94 -3.588 6.721 -0.169 1.00 65.41 C ATOM 1497 O PHE A 94 -2.851 5.752 -0.361 1.00 14.02 O ATOM 1498 CB PHE A 94 -5.619 5.477 0.822 1.00 74.23 C ATOM 1499 CG PHE A 94 -5.402 5.803 2.282 1.00 72.12 C ATOM 1500 CD1 PHE A 94 -6.198 6.777 2.908 1.00 53.40 C ATOM 1501 CD2 PHE A 94 -4.398 5.146 3.015 1.00 53.01 C ATOM 1502 CE1 PHE A 94 -5.986 7.101 4.259 1.00 63.44 C ATOM 1503 CE2 PHE A 94 -4.165 5.503 4.355 1.00 43.21 C ATOM 1504 CZ PHE A 94 -4.951 6.488 4.966 1.00 41.04 C ATOM 0 H PHE A 94 -4.743 5.516 -1.928 1.00 73.34 H new ATOM 0 HA PHE A 94 -5.560 7.480 0.144 1.00 74.22 H new ATOM 0 HB2 PHE A 94 -6.686 5.331 0.653 1.00 74.23 H new ATOM 0 HB3 PHE A 94 -5.129 4.529 0.600 1.00 74.23 H new ATOM 0 HD1 PHE A 94 -6.975 7.278 2.349 1.00 53.40 H new ATOM 0 HD2 PHE A 94 -3.808 4.370 2.550 1.00 53.01 H new ATOM 0 HE1 PHE A 94 -6.623 7.823 4.749 1.00 63.44 H new ATOM 0 HE2 PHE A 94 -3.379 5.017 4.914 1.00 43.21 H new ATOM 0 HZ PHE A 94 -4.755 6.774 5.989 1.00 41.04 H new ATOM 1514 N GLU A 95 -3.109 7.960 -0.069 1.00 63.30 N ATOM 1515 CA GLU A 95 -1.681 8.310 -0.133 1.00 70.41 C ATOM 1516 C GLU A 95 -1.220 8.993 1.156 1.00 31.54 C ATOM 1517 O GLU A 95 -2.059 9.419 1.956 1.00 72.14 O ATOM 1518 CB GLU A 95 -1.435 9.167 -1.386 1.00 10.22 C ATOM 1519 CG GLU A 95 -2.206 10.491 -1.429 1.00 10.02 C ATOM 1520 CD GLU A 95 -1.511 11.636 -0.687 1.00 54.21 C ATOM 1521 OE1 GLU A 95 -0.559 12.200 -1.262 1.00 41.01 O ATOM 1522 OE2 GLU A 95 -2.021 12.078 0.368 1.00 11.21 O ATOM 0 H GLU A 95 -3.713 8.771 0.062 1.00 63.30 H new ATOM 0 HA GLU A 95 -1.079 7.405 -0.217 1.00 70.41 H new ATOM 0 HB2 GLU A 95 -0.369 9.383 -1.456 1.00 10.22 H new ATOM 0 HB3 GLU A 95 -1.700 8.581 -2.266 1.00 10.22 H new ATOM 0 HG2 GLU A 95 -2.353 10.781 -2.469 1.00 10.02 H new ATOM 0 HG3 GLU A 95 -3.195 10.339 -0.998 1.00 10.02 H new ATOM 1529 N ALA A 96 0.096 9.053 1.376 1.00 1.33 N ATOM 1530 CA ALA A 96 0.728 9.904 2.382 1.00 63.43 C ATOM 1531 C ALA A 96 2.153 10.276 1.976 1.00 44.10 C ATOM 1532 O ALA A 96 2.902 9.442 1.455 1.00 52.22 O ATOM 1533 CB ALA A 96 0.792 9.194 3.739 1.00 74.32 C ATOM 0 H ALA A 96 0.766 8.497 0.845 1.00 1.33 H new ATOM 0 HA ALA A 96 0.119 10.805 2.459 1.00 63.43 H new ATOM 0 HB1 ALA A 96 1.267 9.849 4.470 1.00 74.32 H new ATOM 0 HB2 ALA A 96 -0.218 8.951 4.071 1.00 74.32 H new ATOM 0 HB3 ALA A 96 1.373 8.277 3.643 1.00 74.32 H new ATOM 1539 N GLY A 97 2.564 11.495 2.323 1.00 22.04 N ATOM 1540 CA GLY A 97 3.953 11.920 2.286 1.00 15.21 C ATOM 1541 C GLY A 97 4.135 13.413 2.524 1.00 33.05 C ATOM 1542 O GLY A 97 3.173 14.174 2.647 1.00 31.31 O ATOM 0 H GLY A 97 1.926 12.224 2.643 1.00 22.04 H new ATOM 0 HA2 GLY A 97 4.514 11.368 3.040 1.00 15.21 H new ATOM 0 HA3 GLY A 97 4.379 11.659 1.317 1.00 15.21 H new ATOM 1546 N TYR A 98 5.392 13.841 2.581 1.00 13.13 N ATOM 1547 CA TYR A 98 5.788 15.225 2.783 1.00 75.43 C ATOM 1548 C TYR A 98 5.417 16.110 1.597 1.00 72.04 C ATOM 1549 O TYR A 98 5.568 15.710 0.444 1.00 75.32 O ATOM 1550 CB TYR A 98 7.295 15.277 3.026 1.00 62.12 C ATOM 1551 CG TYR A 98 7.675 14.885 4.432 1.00 22.32 C ATOM 1552 CD1 TYR A 98 7.286 15.700 5.504 1.00 41.12 C ATOM 1553 CD2 TYR A 98 8.392 13.706 4.679 1.00 71.32 C ATOM 1554 CE1 TYR A 98 7.629 15.370 6.824 1.00 15.31 C ATOM 1555 CE2 TYR A 98 8.710 13.340 5.994 1.00 40.10 C ATOM 1556 CZ TYR A 98 8.341 14.171 7.076 1.00 63.32 C ATOM 1557 OH TYR A 98 8.681 13.791 8.337 1.00 54.54 O ATOM 0 H TYR A 98 6.188 13.210 2.484 1.00 13.13 H new ATOM 0 HA TYR A 98 5.250 15.611 3.648 1.00 75.43 H new ATOM 0 HB2 TYR A 98 7.795 14.613 2.321 1.00 62.12 H new ATOM 0 HB3 TYR A 98 7.656 16.286 2.825 1.00 62.12 H new ATOM 0 HD1 TYR A 98 6.714 16.595 5.311 1.00 41.12 H new ATOM 0 HD2 TYR A 98 8.700 13.079 3.855 1.00 71.32 H new ATOM 0 HE1 TYR A 98 7.353 16.023 7.639 1.00 15.31 H new ATOM 0 HE2 TYR A 98 9.240 12.418 6.182 1.00 40.10 H new ATOM 0 HH TYR A 98 9.165 12.939 8.303 1.00 54.54 H new ATOM 1567 N GLU A 99 5.007 17.343 1.888 1.00 12.52 N ATOM 1568 CA GLU A 99 4.689 18.383 0.907 1.00 33.41 C ATOM 1569 C GLU A 99 5.959 18.862 0.170 1.00 35.43 C ATOM 1570 O GLU A 99 5.886 19.398 -0.936 1.00 23.44 O ATOM 1571 CB GLU A 99 3.991 19.549 1.646 1.00 3.32 C ATOM 1572 CG GLU A 99 2.773 20.108 0.899 1.00 21.53 C ATOM 1573 CD GLU A 99 2.223 21.368 1.579 1.00 23.31 C ATOM 1574 OE1 GLU A 99 2.657 22.492 1.236 1.00 3.11 O ATOM 1575 OE2 GLU A 99 1.334 21.242 2.453 1.00 41.21 O ATOM 0 H GLU A 99 4.882 17.659 2.850 1.00 12.52 H new ATOM 0 HA GLU A 99 4.021 17.981 0.145 1.00 33.41 H new ATOM 0 HB2 GLU A 99 3.676 19.207 2.632 1.00 3.32 H new ATOM 0 HB3 GLU A 99 4.711 20.352 1.802 1.00 3.32 H new ATOM 0 HG2 GLU A 99 3.051 20.341 -0.129 1.00 21.53 H new ATOM 0 HG3 GLU A 99 1.993 19.348 0.854 1.00 21.53 H new ATOM 1582 N GLU A 100 7.135 18.654 0.774 1.00 1.33 N ATOM 1583 CA GLU A 100 8.431 19.010 0.201 1.00 55.53 C ATOM 1584 C GLU A 100 9.091 17.822 -0.514 1.00 23.43 C ATOM 1585 O GLU A 100 10.135 18.002 -1.145 1.00 53.10 O ATOM 1586 CB GLU A 100 9.373 19.542 1.300 1.00 14.43 C ATOM 1587 CG GLU A 100 8.985 20.935 1.821 1.00 24.04 C ATOM 1588 CD GLU A 100 10.108 21.572 2.655 1.00 73.22 C ATOM 1589 OE1 GLU A 100 11.190 21.861 2.096 1.00 24.41 O ATOM 1590 OE2 GLU A 100 9.921 21.825 3.868 1.00 41.14 O ATOM 0 H GLU A 100 7.210 18.223 1.696 1.00 1.33 H new ATOM 0 HA GLU A 100 8.253 19.789 -0.540 1.00 55.53 H new ATOM 0 HB2 GLU A 100 9.378 18.840 2.134 1.00 14.43 H new ATOM 0 HB3 GLU A 100 10.390 19.580 0.909 1.00 14.43 H new ATOM 0 HG2 GLU A 100 8.747 21.584 0.978 1.00 24.04 H new ATOM 0 HG3 GLU A 100 8.083 20.857 2.428 1.00 24.04 H new ATOM 1597 N SER A 101 8.542 16.605 -0.448 1.00 22.21 N ATOM 1598 CA SER A 101 9.268 15.381 -0.806 1.00 11.55 C ATOM 1599 C SER A 101 8.366 14.413 -1.586 1.00 23.13 C ATOM 1600 O SER A 101 7.215 14.734 -1.881 1.00 34.54 O ATOM 1601 CB SER A 101 9.857 14.739 0.466 1.00 15.14 C ATOM 1602 OG SER A 101 10.207 15.685 1.472 1.00 43.33 O ATOM 0 H SER A 101 7.582 16.440 -0.145 1.00 22.21 H new ATOM 0 HA SER A 101 10.096 15.632 -1.469 1.00 11.55 H new ATOM 0 HB2 SER A 101 9.133 14.035 0.877 1.00 15.14 H new ATOM 0 HB3 SER A 101 10.743 14.164 0.196 1.00 15.14 H new ATOM 0 HG SER A 101 10.572 15.215 2.251 1.00 43.33 H new ATOM 1608 N GLU A 102 8.891 13.245 -1.963 1.00 31.22 N ATOM 1609 CA GLU A 102 8.092 12.131 -2.477 1.00 64.52 C ATOM 1610 C GLU A 102 7.320 11.476 -1.331 1.00 65.43 C ATOM 1611 O GLU A 102 7.566 11.766 -0.153 1.00 1.11 O ATOM 1612 CB GLU A 102 8.990 11.135 -3.217 1.00 52.12 C ATOM 1613 CG GLU A 102 8.971 11.339 -4.743 1.00 10.32 C ATOM 1614 CD GLU A 102 7.603 11.072 -5.390 1.00 44.02 C ATOM 1615 OE1 GLU A 102 6.829 10.233 -4.875 1.00 13.14 O ATOM 1616 OE2 GLU A 102 7.307 11.679 -6.445 1.00 74.11 O ATOM 0 H GLU A 102 9.890 13.045 -1.920 1.00 31.22 H new ATOM 0 HA GLU A 102 7.361 12.501 -3.196 1.00 64.52 H new ATOM 0 HB2 GLU A 102 10.013 11.235 -2.854 1.00 52.12 H new ATOM 0 HB3 GLU A 102 8.667 10.120 -2.986 1.00 52.12 H new ATOM 0 HG2 GLU A 102 9.274 12.362 -4.967 1.00 10.32 H new ATOM 0 HG3 GLU A 102 9.711 10.680 -5.197 1.00 10.32 H new ATOM 1623 N VAL A 103 6.400 10.581 -1.676 1.00 74.23 N ATOM 1624 CA VAL A 103 5.555 9.882 -0.717 1.00 41.31 C ATOM 1625 C VAL A 103 6.351 9.010 0.257 1.00 14.32 C ATOM 1626 O VAL A 103 7.504 8.649 0.018 1.00 45.23 O ATOM 1627 CB VAL A 103 4.479 9.054 -1.443 1.00 72.33 C ATOM 1628 CG1 VAL A 103 3.338 9.958 -1.915 1.00 74.24 C ATOM 1629 CG2 VAL A 103 5.061 8.269 -2.622 1.00 71.50 C ATOM 0 H VAL A 103 6.219 10.318 -2.645 1.00 74.23 H new ATOM 0 HA VAL A 103 5.066 10.648 -0.115 1.00 41.31 H new ATOM 0 HB VAL A 103 4.087 8.330 -0.729 1.00 72.33 H new ATOM 0 HG11 VAL A 103 2.586 9.357 -2.426 1.00 74.24 H new ATOM 0 HG12 VAL A 103 2.885 10.452 -1.055 1.00 74.24 H new ATOM 0 HG13 VAL A 103 3.729 10.710 -2.600 1.00 74.24 H new ATOM 0 HG21 VAL A 103 4.268 7.699 -3.106 1.00 71.50 H new ATOM 0 HG22 VAL A 103 5.500 8.962 -3.340 1.00 71.50 H new ATOM 0 HG23 VAL A 103 5.830 7.586 -2.260 1.00 71.50 H new ATOM 1639 N ASP A 104 5.686 8.618 1.339 1.00 45.10 N ATOM 1640 CA ASP A 104 6.082 7.518 2.211 1.00 34.13 C ATOM 1641 C ASP A 104 5.280 6.276 1.821 1.00 51.23 C ATOM 1642 O ASP A 104 5.826 5.181 1.758 1.00 41.51 O ATOM 1643 CB ASP A 104 5.794 7.922 3.663 1.00 54.10 C ATOM 1644 CG ASP A 104 6.332 6.954 4.730 1.00 42.23 C ATOM 1645 OD1 ASP A 104 5.942 5.763 4.751 1.00 51.21 O ATOM 1646 OD2 ASP A 104 7.114 7.403 5.607 1.00 13.54 O ATOM 0 H ASP A 104 4.826 9.074 1.643 1.00 45.10 H new ATOM 0 HA ASP A 104 7.144 7.296 2.110 1.00 34.13 H new ATOM 0 HB2 ASP A 104 6.222 8.908 3.841 1.00 54.10 H new ATOM 0 HB3 ASP A 104 4.716 8.015 3.790 1.00 54.10 H new ATOM 1651 N LEU A 105 3.992 6.429 1.487 1.00 43.11 N ATOM 1652 CA LEU A 105 3.034 5.328 1.412 1.00 22.05 C ATOM 1653 C LEU A 105 1.986 5.663 0.356 1.00 25.51 C ATOM 1654 O LEU A 105 1.520 6.802 0.291 1.00 61.44 O ATOM 1655 CB LEU A 105 2.367 5.196 2.790 1.00 74.20 C ATOM 1656 CG LEU A 105 1.464 3.961 2.977 1.00 32.31 C ATOM 1657 CD1 LEU A 105 2.277 2.697 3.283 1.00 70.03 C ATOM 1658 CD2 LEU A 105 0.577 4.224 4.192 1.00 11.23 C ATOM 0 H LEU A 105 3.584 7.336 1.259 1.00 43.11 H new ATOM 0 HA LEU A 105 3.525 4.393 1.143 1.00 22.05 H new ATOM 0 HB2 LEU A 105 3.147 5.172 3.551 1.00 74.20 H new ATOM 0 HB3 LEU A 105 1.771 6.090 2.973 1.00 74.20 H new ATOM 0 HG LEU A 105 0.901 3.804 2.057 1.00 32.31 H new ATOM 0 HD11 LEU A 105 1.601 1.851 3.407 1.00 70.03 H new ATOM 0 HD12 LEU A 105 2.962 2.496 2.459 1.00 70.03 H new ATOM 0 HD13 LEU A 105 2.847 2.844 4.201 1.00 70.03 H new ATOM 0 HD21 LEU A 105 -0.078 3.369 4.356 1.00 11.23 H new ATOM 0 HD22 LEU A 105 1.202 4.377 5.072 1.00 11.23 H new ATOM 0 HD23 LEU A 105 -0.026 5.115 4.016 1.00 11.23 H new ATOM 1670 N ARG A 106 1.613 4.691 -0.478 1.00 74.51 N ATOM 1671 CA ARG A 106 0.489 4.802 -1.405 1.00 54.21 C ATOM 1672 C ARG A 106 -0.126 3.432 -1.603 1.00 63.43 C ATOM 1673 O ARG A 106 0.591 2.434 -1.645 1.00 74.41 O ATOM 1674 CB ARG A 106 0.906 5.375 -2.775 1.00 51.01 C ATOM 1675 CG ARG A 106 1.200 6.876 -2.709 1.00 61.10 C ATOM 1676 CD ARG A 106 1.145 7.604 -4.056 1.00 5.32 C ATOM 1677 NE ARG A 106 2.421 7.540 -4.789 1.00 24.25 N ATOM 1678 CZ ARG A 106 2.922 8.501 -5.573 1.00 71.31 C ATOM 1679 NH1 ARG A 106 2.172 9.544 -5.912 1.00 23.14 N ATOM 1680 NH2 ARG A 106 4.169 8.417 -6.019 1.00 64.21 N ATOM 0 H ARG A 106 2.091 3.792 -0.528 1.00 74.51 H new ATOM 0 HA ARG A 106 -0.231 5.494 -0.968 1.00 54.21 H new ATOM 0 HB2 ARG A 106 1.791 4.849 -3.133 1.00 51.01 H new ATOM 0 HB3 ARG A 106 0.112 5.194 -3.500 1.00 51.01 H new ATOM 0 HG2 ARG A 106 0.485 7.342 -2.031 1.00 61.10 H new ATOM 0 HG3 ARG A 106 2.190 7.019 -2.275 1.00 61.10 H new ATOM 0 HD2 ARG A 106 0.356 7.167 -4.669 1.00 5.32 H new ATOM 0 HD3 ARG A 106 0.878 8.648 -3.890 1.00 5.32 H new ATOM 0 HE ARG A 106 2.972 6.687 -4.690 1.00 24.25 H new ATOM 0 HH11 ARG A 106 1.212 9.613 -5.574 1.00 23.14 H new ATOM 0 HH12 ARG A 106 2.556 10.276 -6.510 1.00 23.14 H new ATOM 0 HH21 ARG A 106 4.749 7.618 -5.764 1.00 64.21 H new ATOM 0 HH22 ARG A 106 4.547 9.152 -6.617 1.00 64.21 H new ATOM 1694 N VAL A 107 -1.440 3.393 -1.768 1.00 23.45 N ATOM 1695 CA VAL A 107 -2.212 2.192 -2.089 1.00 42.23 C ATOM 1696 C VAL A 107 -3.467 2.633 -2.868 1.00 30.33 C ATOM 1697 O VAL A 107 -3.907 3.783 -2.761 1.00 33.35 O ATOM 1698 CB VAL A 107 -2.601 1.399 -0.820 1.00 14.22 C ATOM 1699 CG1 VAL A 107 -1.545 0.427 -0.286 1.00 63.52 C ATOM 1700 CG2 VAL A 107 -2.959 2.365 0.292 1.00 62.12 C ATOM 0 H VAL A 107 -2.023 4.225 -1.680 1.00 23.45 H new ATOM 0 HA VAL A 107 -1.603 1.520 -2.694 1.00 42.23 H new ATOM 0 HB VAL A 107 -3.444 0.783 -1.133 1.00 14.22 H new ATOM 0 HG11 VAL A 107 -1.927 -0.072 0.604 1.00 63.52 H new ATOM 0 HG12 VAL A 107 -1.316 -0.317 -1.049 1.00 63.52 H new ATOM 0 HG13 VAL A 107 -0.639 0.977 -0.033 1.00 63.52 H new ATOM 0 HG21 VAL A 107 -3.233 1.805 1.186 1.00 62.12 H new ATOM 0 HG22 VAL A 107 -2.102 3.002 0.511 1.00 62.12 H new ATOM 0 HG23 VAL A 107 -3.800 2.984 -0.020 1.00 62.12 H new ATOM 1710 N GLU A 108 -4.082 1.715 -3.618 1.00 34.55 N ATOM 1711 CA GLU A 108 -5.292 1.936 -4.405 1.00 33.34 C ATOM 1712 C GLU A 108 -6.116 0.653 -4.308 1.00 33.44 C ATOM 1713 O GLU A 108 -5.546 -0.443 -4.373 1.00 3.34 O ATOM 1714 CB GLU A 108 -4.961 2.259 -5.877 1.00 45.41 C ATOM 1715 CG GLU A 108 -3.994 3.444 -6.033 1.00 42.21 C ATOM 1716 CD GLU A 108 -3.776 3.943 -7.468 1.00 1.23 C ATOM 1717 OE1 GLU A 108 -4.551 3.639 -8.404 1.00 71.43 O ATOM 1718 OE2 GLU A 108 -2.808 4.707 -7.679 1.00 11.04 O ATOM 0 H GLU A 108 -3.734 0.759 -3.695 1.00 34.55 H new ATOM 0 HA GLU A 108 -5.844 2.793 -4.020 1.00 33.34 H new ATOM 0 HB2 GLU A 108 -4.524 1.378 -6.347 1.00 45.41 H new ATOM 0 HB3 GLU A 108 -5.885 2.480 -6.411 1.00 45.41 H new ATOM 0 HG2 GLU A 108 -4.366 4.274 -5.432 1.00 42.21 H new ATOM 0 HG3 GLU A 108 -3.028 3.158 -5.617 1.00 42.21 H new ATOM 1725 N PHE A 109 -7.437 0.756 -4.138 1.00 74.40 N ATOM 1726 CA PHE A 109 -8.334 -0.388 -3.969 1.00 73.50 C ATOM 1727 C PHE A 109 -9.459 -0.284 -5.001 1.00 54.14 C ATOM 1728 O PHE A 109 -9.984 0.811 -5.222 1.00 13.22 O ATOM 1729 CB PHE A 109 -8.942 -0.427 -2.549 1.00 70.14 C ATOM 1730 CG PHE A 109 -8.024 -0.329 -1.334 1.00 13.22 C ATOM 1731 CD1 PHE A 109 -6.707 -0.822 -1.350 1.00 22.14 C ATOM 1732 CD2 PHE A 109 -8.521 0.224 -0.139 1.00 14.34 C ATOM 1733 CE1 PHE A 109 -5.891 -0.753 -0.205 1.00 65.12 C ATOM 1734 CE2 PHE A 109 -7.716 0.285 1.011 1.00 30.43 C ATOM 1735 CZ PHE A 109 -6.395 -0.193 0.981 1.00 64.33 C ATOM 0 H PHE A 109 -7.921 1.654 -4.114 1.00 74.40 H new ATOM 0 HA PHE A 109 -7.761 -1.304 -4.112 1.00 73.50 H new ATOM 0 HB2 PHE A 109 -9.663 0.388 -2.480 1.00 70.14 H new ATOM 0 HB3 PHE A 109 -9.503 -1.357 -2.460 1.00 70.14 H new ATOM 0 HD1 PHE A 109 -6.315 -1.261 -2.256 1.00 22.14 H new ATOM 0 HD2 PHE A 109 -9.531 0.605 -0.106 1.00 14.34 H new ATOM 0 HE1 PHE A 109 -4.879 -1.130 -0.238 1.00 65.12 H new ATOM 0 HE2 PHE A 109 -8.115 0.702 1.924 1.00 30.43 H new ATOM 0 HZ PHE A 109 -5.773 -0.131 1.862 1.00 64.33 H new ATOM 1745 N GLU A 110 -9.884 -1.414 -5.574 1.00 11.14 N ATOM 1746 CA GLU A 110 -11.028 -1.489 -6.482 1.00 41.34 C ATOM 1747 C GLU A 110 -11.917 -2.665 -6.088 1.00 62.31 C ATOM 1748 O GLU A 110 -11.425 -3.771 -5.827 1.00 31.55 O ATOM 1749 CB GLU A 110 -10.595 -1.632 -7.955 1.00 53.43 C ATOM 1750 CG GLU A 110 -10.622 -0.301 -8.724 1.00 63.10 C ATOM 1751 CD GLU A 110 -10.487 -0.515 -10.238 1.00 64.13 C ATOM 1752 OE1 GLU A 110 -9.579 -1.269 -10.663 1.00 65.52 O ATOM 1753 OE2 GLU A 110 -11.284 0.037 -11.035 1.00 73.12 O ATOM 0 H GLU A 110 -9.434 -2.316 -5.416 1.00 11.14 H new ATOM 0 HA GLU A 110 -11.581 -0.554 -6.394 1.00 41.34 H new ATOM 0 HB2 GLU A 110 -9.587 -2.046 -7.993 1.00 53.43 H new ATOM 0 HB3 GLU A 110 -11.252 -2.346 -8.453 1.00 53.43 H new ATOM 0 HG2 GLU A 110 -11.555 0.222 -8.513 1.00 63.10 H new ATOM 0 HG3 GLU A 110 -9.811 0.338 -8.373 1.00 63.10 H new ATOM 1760 N LEU A 111 -13.227 -2.417 -6.072 1.00 65.33 N ATOM 1761 CA LEU A 111 -14.259 -3.440 -6.037 1.00 4.34 C ATOM 1762 C LEU A 111 -14.286 -4.129 -7.396 1.00 12.03 C ATOM 1763 O LEU A 111 -14.290 -3.470 -8.432 1.00 63.40 O ATOM 1764 CB LEU A 111 -15.603 -2.797 -5.661 1.00 1.14 C ATOM 1765 CG LEU A 111 -16.769 -3.755 -5.331 1.00 72.33 C ATOM 1766 CD1 LEU A 111 -17.714 -3.952 -6.507 1.00 3.23 C ATOM 1767 CD2 LEU A 111 -16.388 -5.090 -4.695 1.00 53.11 C ATOM 0 H LEU A 111 -13.605 -1.470 -6.083 1.00 65.33 H new ATOM 0 HA LEU A 111 -14.053 -4.196 -5.280 1.00 4.34 H new ATOM 0 HB2 LEU A 111 -15.440 -2.151 -4.798 1.00 1.14 H new ATOM 0 HB3 LEU A 111 -15.914 -2.155 -6.485 1.00 1.14 H new ATOM 0 HG LEU A 111 -17.300 -3.224 -4.541 1.00 72.33 H new ATOM 0 HD11 LEU A 111 -18.515 -4.634 -6.220 1.00 3.23 H new ATOM 0 HD12 LEU A 111 -18.141 -2.992 -6.795 1.00 3.23 H new ATOM 0 HD13 LEU A 111 -17.164 -4.372 -7.349 1.00 3.23 H new ATOM 0 HD21 LEU A 111 -17.289 -5.675 -4.510 1.00 53.11 H new ATOM 0 HD22 LEU A 111 -15.730 -5.639 -5.369 1.00 53.11 H new ATOM 0 HD23 LEU A 111 -15.872 -4.910 -3.752 1.00 53.11 H new ATOM 1779 N GLN A 112 -14.254 -5.456 -7.378 1.00 12.23 N ATOM 1780 CA GLN A 112 -14.304 -6.281 -8.577 1.00 54.21 C ATOM 1781 C GLN A 112 -15.759 -6.652 -8.879 1.00 3.03 C ATOM 1782 O GLN A 112 -16.613 -6.563 -7.997 1.00 11.31 O ATOM 1783 CB GLN A 112 -13.441 -7.528 -8.372 1.00 44.20 C ATOM 1784 CG GLN A 112 -11.981 -7.196 -8.012 1.00 65.21 C ATOM 1785 CD GLN A 112 -11.277 -6.291 -9.021 1.00 65.31 C ATOM 1786 OE1 GLN A 112 -11.267 -6.562 -10.214 1.00 44.42 O ATOM 1787 NE2 GLN A 112 -10.603 -5.246 -8.571 1.00 32.15 N ATOM 0 H GLN A 112 -14.192 -5.997 -6.516 1.00 12.23 H new ATOM 0 HA GLN A 112 -13.909 -5.730 -9.431 1.00 54.21 H new ATOM 0 HB2 GLN A 112 -13.875 -8.138 -7.580 1.00 44.20 H new ATOM 0 HB3 GLN A 112 -13.458 -8.128 -9.282 1.00 44.20 H new ATOM 0 HG2 GLN A 112 -11.960 -6.716 -7.034 1.00 65.21 H new ATOM 0 HG3 GLN A 112 -11.420 -8.126 -7.922 1.00 65.21 H new ATOM 0 HE21 GLN A 112 -10.613 -5.023 -7.576 1.00 32.15 H new ATOM 0 HE22 GLN A 112 -10.073 -4.663 -9.219 1.00 32.15 H new ATOM 1796 N ALA A 113 -16.037 -7.173 -10.073 1.00 63.23 N ATOM 1797 CA ALA A 113 -17.328 -7.735 -10.469 1.00 2.05 C ATOM 1798 C ALA A 113 -17.607 -9.043 -9.730 1.00 33.24 C ATOM 1799 O ALA A 113 -18.729 -9.550 -9.722 1.00 54.40 O ATOM 1800 CB ALA A 113 -17.344 -7.952 -11.979 1.00 71.52 C ATOM 0 H ALA A 113 -15.343 -7.217 -10.819 1.00 63.23 H new ATOM 0 HA ALA A 113 -18.117 -7.033 -10.200 1.00 2.05 H new ATOM 0 HB1 ALA A 113 -18.305 -8.371 -12.276 1.00 71.52 H new ATOM 0 HB2 ALA A 113 -17.191 -6.999 -12.485 1.00 71.52 H new ATOM 0 HB3 ALA A 113 -16.547 -8.642 -12.256 1.00 71.52 H new ATOM 1806 N ASP A 114 -16.591 -9.562 -9.047 1.00 52.20 N ATOM 1807 CA ASP A 114 -16.721 -10.608 -8.049 1.00 44.02 C ATOM 1808 C ASP A 114 -17.538 -10.110 -6.854 1.00 22.51 C ATOM 1809 O ASP A 114 -18.051 -10.904 -6.073 1.00 70.30 O ATOM 1810 CB ASP A 114 -15.317 -11.006 -7.581 1.00 63.40 C ATOM 1811 CG ASP A 114 -15.188 -12.511 -7.403 1.00 54.02 C ATOM 1812 OD1 ASP A 114 -15.737 -13.081 -6.441 1.00 14.11 O ATOM 1813 OD2 ASP A 114 -14.440 -13.104 -8.211 1.00 63.21 O ATOM 0 H ASP A 114 -15.628 -9.254 -9.180 1.00 52.20 H new ATOM 0 HA ASP A 114 -17.236 -11.465 -8.483 1.00 44.02 H new ATOM 0 HB2 ASP A 114 -14.580 -10.661 -8.307 1.00 63.40 H new ATOM 0 HB3 ASP A 114 -15.093 -10.508 -6.638 1.00 63.40 H new ATOM 1818 N GLY A 115 -17.656 -8.789 -6.677 1.00 72.14 N ATOM 1819 CA GLY A 115 -18.238 -8.166 -5.515 1.00 53.02 C ATOM 1820 C GLY A 115 -17.342 -8.315 -4.292 1.00 12.11 C ATOM 1821 O GLY A 115 -17.842 -8.160 -3.181 1.00 63.34 O ATOM 0 H GLY A 115 -17.334 -8.114 -7.371 1.00 72.14 H new ATOM 0 HA2 GLY A 115 -18.409 -7.108 -5.715 1.00 53.02 H new ATOM 0 HA3 GLY A 115 -19.211 -8.613 -5.311 1.00 53.02 H new ATOM 1825 N LYS A 116 -16.052 -8.618 -4.467 1.00 25.35 N ATOM 1826 CA LYS A 116 -15.020 -8.559 -3.438 1.00 34.54 C ATOM 1827 C LYS A 116 -14.140 -7.362 -3.751 1.00 30.12 C ATOM 1828 O LYS A 116 -13.820 -7.129 -4.920 1.00 1.13 O ATOM 1829 CB LYS A 116 -14.163 -9.829 -3.493 1.00 71.51 C ATOM 1830 CG LYS A 116 -14.792 -11.018 -2.762 1.00 64.40 C ATOM 1831 CD LYS A 116 -13.849 -12.236 -2.786 1.00 2.11 C ATOM 1832 CE LYS A 116 -13.833 -12.944 -4.147 1.00 12.41 C ATOM 1833 NZ LYS A 116 -12.763 -13.959 -4.256 1.00 64.40 N ATOM 0 H LYS A 116 -15.687 -8.924 -5.369 1.00 25.35 H new ATOM 0 HA LYS A 116 -15.470 -8.475 -2.449 1.00 34.54 H new ATOM 0 HB2 LYS A 116 -13.995 -10.100 -4.535 1.00 71.51 H new ATOM 0 HB3 LYS A 116 -13.186 -9.619 -3.057 1.00 71.51 H new ATOM 0 HG2 LYS A 116 -15.011 -10.742 -1.730 1.00 64.40 H new ATOM 0 HG3 LYS A 116 -15.741 -11.278 -3.231 1.00 64.40 H new ATOM 0 HD2 LYS A 116 -12.838 -11.913 -2.537 1.00 2.11 H new ATOM 0 HD3 LYS A 116 -14.156 -12.944 -2.016 1.00 2.11 H new ATOM 0 HE2 LYS A 116 -14.798 -13.422 -4.313 1.00 12.41 H new ATOM 0 HE3 LYS A 116 -13.705 -12.202 -4.935 1.00 12.41 H new ATOM 0 HZ1 LYS A 116 -13.075 -14.726 -4.886 1.00 64.40 H new ATOM 0 HZ2 LYS A 116 -11.905 -13.519 -4.645 1.00 64.40 H new ATOM 0 HZ3 LYS A 116 -12.556 -14.347 -3.314 1.00 64.40 H new ATOM 1847 N TRP A 117 -13.715 -6.625 -2.730 1.00 64.52 N ATOM 1848 CA TRP A 117 -12.731 -5.556 -2.920 1.00 70.34 C ATOM 1849 C TRP A 117 -11.354 -6.183 -2.991 1.00 71.13 C ATOM 1850 O TRP A 117 -11.097 -7.097 -2.205 1.00 74.12 O ATOM 1851 CB TRP A 117 -12.800 -4.546 -1.779 1.00 25.12 C ATOM 1852 CG TRP A 117 -14.101 -3.820 -1.706 1.00 23.14 C ATOM 1853 CD1 TRP A 117 -15.271 -4.354 -1.297 1.00 71.33 C ATOM 1854 CD2 TRP A 117 -14.403 -2.456 -2.112 1.00 25.55 C ATOM 1855 NE1 TRP A 117 -16.288 -3.450 -1.487 1.00 70.20 N ATOM 1856 CE2 TRP A 117 -15.811 -2.266 -1.993 1.00 21.33 C ATOM 1857 CE3 TRP A 117 -13.639 -1.380 -2.613 1.00 54.10 C ATOM 1858 CZ2 TRP A 117 -16.439 -1.083 -2.383 1.00 12.44 C ATOM 1859 CZ3 TRP A 117 -14.257 -0.167 -2.967 1.00 5.02 C ATOM 1860 CH2 TRP A 117 -15.649 -0.023 -2.842 1.00 61.42 C ATOM 0 H TRP A 117 -14.032 -6.744 -1.768 1.00 64.52 H new ATOM 0 HA TRP A 117 -12.945 -5.020 -3.845 1.00 70.34 H new ATOM 0 HB2 TRP A 117 -12.628 -5.063 -0.835 1.00 25.12 H new ATOM 0 HB3 TRP A 117 -11.994 -3.821 -1.896 1.00 25.12 H new ATOM 0 HD1 TRP A 117 -15.390 -5.344 -0.882 1.00 71.33 H new ATOM 0 HE1 TRP A 117 -17.269 -3.634 -1.279 1.00 70.20 H new ATOM 0 HE3 TRP A 117 -12.570 -1.489 -2.726 1.00 54.10 H new ATOM 0 HZ2 TRP A 117 -17.514 -0.987 -2.332 1.00 12.44 H new ATOM 0 HZ3 TRP A 117 -13.661 0.655 -3.335 1.00 5.02 H new ATOM 0 HH2 TRP A 117 -16.114 0.916 -3.103 1.00 61.42 H new ATOM 1871 N TYR A 118 -10.491 -5.703 -3.887 1.00 50.14 N ATOM 1872 CA TYR A 118 -9.110 -6.139 -4.089 1.00 62.32 C ATOM 1873 C TYR A 118 -8.188 -4.918 -3.937 1.00 61.33 C ATOM 1874 O TYR A 118 -8.664 -3.782 -4.064 1.00 5.25 O ATOM 1875 CB TYR A 118 -8.978 -6.799 -5.481 1.00 25.11 C ATOM 1876 CG TYR A 118 -9.300 -8.287 -5.531 1.00 53.04 C ATOM 1877 CD1 TYR A 118 -10.567 -8.754 -5.132 1.00 73.31 C ATOM 1878 CD2 TYR A 118 -8.346 -9.210 -6.009 1.00 22.54 C ATOM 1879 CE1 TYR A 118 -10.861 -10.126 -5.143 1.00 13.31 C ATOM 1880 CE2 TYR A 118 -8.634 -10.591 -6.021 1.00 52.30 C ATOM 1881 CZ TYR A 118 -9.893 -11.055 -5.569 1.00 24.15 C ATOM 1882 OH TYR A 118 -10.213 -12.377 -5.587 1.00 4.32 O ATOM 0 H TYR A 118 -10.754 -4.955 -4.529 1.00 50.14 H new ATOM 0 HA TYR A 118 -8.820 -6.883 -3.347 1.00 62.32 H new ATOM 0 HB2 TYR A 118 -9.637 -6.278 -6.175 1.00 25.11 H new ATOM 0 HB3 TYR A 118 -7.959 -6.653 -5.839 1.00 25.11 H new ATOM 0 HD1 TYR A 118 -11.321 -8.049 -4.814 1.00 73.31 H new ATOM 0 HD2 TYR A 118 -7.390 -8.857 -6.368 1.00 22.54 H new ATOM 0 HE1 TYR A 118 -11.833 -10.470 -4.823 1.00 13.31 H new ATOM 0 HE2 TYR A 118 -7.894 -11.294 -6.375 1.00 52.30 H new ATOM 0 HH TYR A 118 -9.445 -12.895 -5.905 1.00 4.32 H new ATOM 1892 N VAL A 119 -6.884 -5.107 -3.683 1.00 71.13 N ATOM 1893 CA VAL A 119 -5.917 -3.994 -3.748 1.00 65.13 C ATOM 1894 C VAL A 119 -5.134 -4.060 -5.067 1.00 24.32 C ATOM 1895 O VAL A 119 -5.025 -5.132 -5.663 1.00 4.32 O ATOM 1896 CB VAL A 119 -5.160 -3.817 -2.403 1.00 10.44 C ATOM 1897 CG1 VAL A 119 -4.659 -5.081 -1.719 1.00 73.31 C ATOM 1898 CG2 VAL A 119 -3.922 -2.910 -2.498 1.00 74.12 C ATOM 0 H VAL A 119 -6.476 -6.008 -3.433 1.00 71.13 H new ATOM 0 HA VAL A 119 -6.404 -3.021 -3.820 1.00 65.13 H new ATOM 0 HB VAL A 119 -5.962 -3.377 -1.810 1.00 10.44 H new ATOM 0 HG11 VAL A 119 -4.150 -4.816 -0.792 1.00 73.31 H new ATOM 0 HG12 VAL A 119 -5.504 -5.733 -1.495 1.00 73.31 H new ATOM 0 HG13 VAL A 119 -3.964 -5.601 -2.379 1.00 73.31 H new ATOM 0 HG21 VAL A 119 -3.449 -2.837 -1.519 1.00 74.12 H new ATOM 0 HG22 VAL A 119 -3.215 -3.333 -3.212 1.00 74.12 H new ATOM 0 HG23 VAL A 119 -4.223 -1.917 -2.831 1.00 74.12 H new ATOM 1908 N VAL A 120 -4.689 -2.914 -5.590 1.00 10.24 N ATOM 1909 CA VAL A 120 -4.136 -2.773 -6.944 1.00 11.15 C ATOM 1910 C VAL A 120 -2.894 -1.876 -6.957 1.00 45.03 C ATOM 1911 O VAL A 120 -2.332 -1.626 -8.026 1.00 45.22 O ATOM 1912 CB VAL A 120 -5.244 -2.323 -7.937 1.00 65.34 C ATOM 1913 CG1 VAL A 120 -6.543 -3.136 -7.795 1.00 22.33 C ATOM 1914 CG2 VAL A 120 -5.644 -0.847 -7.830 1.00 12.05 C ATOM 0 H VAL A 120 -4.703 -2.035 -5.072 1.00 10.24 H new ATOM 0 HA VAL A 120 -3.788 -3.747 -7.287 1.00 11.15 H new ATOM 0 HB VAL A 120 -4.771 -2.498 -8.903 1.00 65.34 H new ATOM 0 HG11 VAL A 120 -7.278 -2.775 -8.514 1.00 22.33 H new ATOM 0 HG12 VAL A 120 -6.336 -4.189 -7.985 1.00 22.33 H new ATOM 0 HG13 VAL A 120 -6.936 -3.020 -6.785 1.00 22.33 H new ATOM 0 HG21 VAL A 120 -6.422 -0.627 -8.561 1.00 12.05 H new ATOM 0 HG22 VAL A 120 -6.020 -0.644 -6.827 1.00 12.05 H new ATOM 0 HG23 VAL A 120 -4.775 -0.219 -8.025 1.00 12.05 H new ATOM 1924 N ASP A 121 -2.436 -1.451 -5.775 1.00 23.51 N ATOM 1925 CA ASP A 121 -1.213 -0.686 -5.550 1.00 44.34 C ATOM 1926 C ASP A 121 -0.652 -1.005 -4.173 1.00 24.42 C ATOM 1927 O ASP A 121 -1.449 -1.339 -3.298 1.00 32.54 O ATOM 1928 CB ASP A 121 -1.470 0.824 -5.615 1.00 33.25 C ATOM 1929 CG ASP A 121 -0.189 1.554 -6.005 1.00 52.42 C ATOM 1930 OD1 ASP A 121 0.593 0.988 -6.806 1.00 53.10 O ATOM 1931 OD2 ASP A 121 0.000 2.692 -5.526 1.00 41.40 O ATOM 0 H ASP A 121 -2.937 -1.643 -4.907 1.00 23.51 H new ATOM 0 HA ASP A 121 -0.509 -0.964 -6.334 1.00 44.34 H new ATOM 0 HB2 ASP A 121 -2.255 1.037 -6.341 1.00 33.25 H new ATOM 0 HB3 ASP A 121 -1.823 1.183 -4.648 1.00 33.25 H new ATOM 1936 N CYS A 122 0.664 -0.896 -3.953 1.00 4.12 N ATOM 1937 CA CYS A 122 1.268 -1.023 -2.624 1.00 13.23 C ATOM 1938 C CYS A 122 2.682 -0.417 -2.626 1.00 21.25 C ATOM 1939 O CYS A 122 3.642 -1.104 -2.976 1.00 44.13 O ATOM 1940 CB CYS A 122 1.258 -2.509 -2.203 1.00 25.31 C ATOM 1941 SG CYS A 122 0.822 -2.688 -0.450 1.00 34.14 S ATOM 0 H CYS A 122 1.341 -0.717 -4.695 1.00 4.12 H new ATOM 0 HA CYS A 122 0.689 -0.466 -1.888 1.00 13.23 H new ATOM 0 HB2 CYS A 122 0.545 -3.059 -2.816 1.00 25.31 H new ATOM 0 HB3 CYS A 122 2.239 -2.948 -2.384 1.00 25.31 H new ATOM 0 HG CYS A 122 0.066 -3.734 -0.295 1.00 34.14 H new ATOM 1947 N TYR A 123 2.814 0.873 -2.320 1.00 2.33 N ATOM 1948 CA TYR A 123 4.093 1.547 -2.095 1.00 23.32 C ATOM 1949 C TYR A 123 4.385 1.590 -0.597 1.00 45.14 C ATOM 1950 O TYR A 123 3.471 1.458 0.222 1.00 5.33 O ATOM 1951 CB TYR A 123 4.039 2.986 -2.627 1.00 23.22 C ATOM 1952 CG TYR A 123 5.371 3.711 -2.616 1.00 72.42 C ATOM 1953 CD1 TYR A 123 6.395 3.296 -3.487 1.00 41.00 C ATOM 1954 CD2 TYR A 123 5.609 4.760 -1.707 1.00 51.14 C ATOM 1955 CE1 TYR A 123 7.656 3.911 -3.446 1.00 11.45 C ATOM 1956 CE2 TYR A 123 6.870 5.376 -1.655 1.00 51.04 C ATOM 1957 CZ TYR A 123 7.904 4.945 -2.519 1.00 23.25 C ATOM 1958 OH TYR A 123 9.143 5.494 -2.460 1.00 3.53 O ATOM 0 H TYR A 123 2.012 1.496 -2.219 1.00 2.33 H new ATOM 0 HA TYR A 123 4.875 0.997 -2.619 1.00 23.32 H new ATOM 0 HB2 TYR A 123 3.658 2.968 -3.648 1.00 23.22 H new ATOM 0 HB3 TYR A 123 3.326 3.554 -2.030 1.00 23.22 H new ATOM 0 HD1 TYR A 123 6.210 2.499 -4.192 1.00 41.00 H new ATOM 0 HD2 TYR A 123 4.820 5.092 -1.048 1.00 51.14 H new ATOM 0 HE1 TYR A 123 8.435 3.593 -4.123 1.00 11.45 H new ATOM 0 HE2 TYR A 123 7.050 6.179 -0.955 1.00 51.04 H new ATOM 0 HH TYR A 123 9.158 6.194 -1.774 1.00 3.53 H new ATOM 1968 N THR A 124 5.644 1.824 -0.242 1.00 41.30 N ATOM 1969 CA THR A 124 6.119 2.038 1.115 1.00 4.45 C ATOM 1970 C THR A 124 7.544 2.603 1.052 1.00 22.42 C ATOM 1971 O THR A 124 8.301 2.300 0.118 1.00 45.30 O ATOM 1972 CB THR A 124 6.054 0.708 1.902 1.00 1.13 C ATOM 1973 OG1 THR A 124 6.794 0.774 3.101 1.00 34.11 O ATOM 1974 CG2 THR A 124 6.581 -0.492 1.096 1.00 12.14 C ATOM 0 H THR A 124 6.396 1.871 -0.929 1.00 41.30 H new ATOM 0 HA THR A 124 5.489 2.757 1.639 1.00 4.45 H new ATOM 0 HB THR A 124 4.995 0.560 2.115 1.00 1.13 H new ATOM 0 HG1 THR A 124 6.386 0.185 3.770 1.00 34.11 H new ATOM 0 HG21 THR A 124 6.510 -1.396 1.701 1.00 12.14 H new ATOM 0 HG22 THR A 124 5.985 -0.613 0.191 1.00 12.14 H new ATOM 0 HG23 THR A 124 7.622 -0.319 0.824 1.00 12.14 H new ATOM 1982 N GLY A 125 7.946 3.319 2.102 1.00 12.33 N ATOM 1983 CA GLY A 125 9.302 3.781 2.326 1.00 42.24 C ATOM 1984 C GLY A 125 10.283 2.632 2.585 1.00 24.01 C ATOM 1985 O GLY A 125 11.496 2.858 2.585 1.00 51.31 O ATOM 0 H GLY A 125 7.306 3.600 2.845 1.00 12.33 H new ATOM 0 HA2 GLY A 125 9.636 4.350 1.458 1.00 42.24 H new ATOM 0 HA3 GLY A 125 9.314 4.462 3.177 1.00 42.24 H new ATOM 1989 N TRP A 126 9.804 1.395 2.773 1.00 3.32 N ATOM 1990 CA TRP A 126 10.657 0.216 2.735 1.00 53.10 C ATOM 1991 C TRP A 126 11.400 0.153 1.396 1.00 34.02 C ATOM 1992 O TRP A 126 12.626 0.107 1.373 1.00 50.24 O ATOM 1993 CB TRP A 126 9.839 -1.056 2.980 1.00 34.03 C ATOM 1994 CG TRP A 126 9.549 -1.356 4.418 1.00 54.21 C ATOM 1995 CD1 TRP A 126 8.333 -1.543 4.984 1.00 63.23 C ATOM 1996 CD2 TRP A 126 10.513 -1.527 5.495 1.00 63.20 C ATOM 1997 NE1 TRP A 126 8.491 -1.877 6.319 1.00 41.24 N ATOM 1998 CE2 TRP A 126 9.819 -1.908 6.677 1.00 12.32 C ATOM 1999 CE3 TRP A 126 11.909 -1.370 5.596 1.00 11.51 C ATOM 2000 CZ2 TRP A 126 10.486 -2.193 7.875 1.00 74.22 C ATOM 2001 CZ3 TRP A 126 12.582 -1.592 6.803 1.00 32.45 C ATOM 2002 CH2 TRP A 126 11.879 -2.035 7.939 1.00 40.14 C ATOM 0 H TRP A 126 8.821 1.192 2.954 1.00 3.32 H new ATOM 0 HA TRP A 126 11.395 0.287 3.534 1.00 53.10 H new ATOM 0 HB2 TRP A 126 8.893 -0.970 2.445 1.00 34.03 H new ATOM 0 HB3 TRP A 126 10.374 -1.902 2.549 1.00 34.03 H new ATOM 0 HD1 TRP A 126 7.386 -1.447 4.473 1.00 63.23 H new ATOM 0 HE1 TRP A 126 7.720 -2.075 6.956 1.00 41.24 H new ATOM 0 HE3 TRP A 126 12.472 -1.072 4.724 1.00 11.51 H new ATOM 0 HZ2 TRP A 126 9.934 -2.531 8.740 1.00 74.22 H new ATOM 0 HZ3 TRP A 126 13.647 -1.422 6.863 1.00 32.45 H new ATOM 0 HH2 TRP A 126 12.409 -2.252 8.855 1.00 40.14 H new ATOM 2013 N TYR A 127 10.680 0.168 0.269 1.00 25.35 N ATOM 2014 CA TYR A 127 11.266 -0.055 -1.047 1.00 70.42 C ATOM 2015 C TYR A 127 11.172 1.233 -1.877 1.00 13.55 C ATOM 2016 O TYR A 127 10.476 1.263 -2.897 1.00 45.13 O ATOM 2017 CB TYR A 127 10.628 -1.286 -1.719 1.00 24.33 C ATOM 2018 CG TYR A 127 10.564 -2.559 -0.881 1.00 53.24 C ATOM 2019 CD1 TYR A 127 11.655 -3.452 -0.830 1.00 52.32 C ATOM 2020 CD2 TYR A 127 9.381 -2.867 -0.181 1.00 12.13 C ATOM 2021 CE1 TYR A 127 11.564 -4.637 -0.071 1.00 43.24 C ATOM 2022 CE2 TYR A 127 9.292 -4.029 0.604 1.00 33.03 C ATOM 2023 CZ TYR A 127 10.393 -4.911 0.665 1.00 3.23 C ATOM 2024 OH TYR A 127 10.340 -6.036 1.423 1.00 32.31 O ATOM 0 H TYR A 127 9.674 0.336 0.249 1.00 25.35 H new ATOM 0 HA TYR A 127 12.327 -0.288 -0.957 1.00 70.42 H new ATOM 0 HB2 TYR A 127 9.614 -1.024 -2.020 1.00 24.33 H new ATOM 0 HB3 TYR A 127 11.184 -1.505 -2.630 1.00 24.33 H new ATOM 0 HD1 TYR A 127 12.561 -3.228 -1.373 1.00 52.32 H new ATOM 0 HD2 TYR A 127 8.533 -2.202 -0.248 1.00 12.13 H new ATOM 0 HE1 TYR A 127 12.389 -5.333 -0.054 1.00 43.24 H new ATOM 0 HE2 TYR A 127 8.389 -4.246 1.156 1.00 33.03 H new ATOM 0 HH TYR A 127 9.444 -6.129 1.808 1.00 32.31 H new ATOM 2034 N GLY A 128 11.829 2.303 -1.414 1.00 61.24 N ATOM 2035 CA GLY A 128 11.747 3.635 -2.010 1.00 70.44 C ATOM 2036 C GLY A 128 12.989 4.035 -2.814 1.00 52.52 C ATOM 2037 O GLY A 128 13.984 3.302 -2.864 1.00 54.51 O ATOM 0 H GLY A 128 12.442 2.263 -0.600 1.00 61.24 H new ATOM 0 HA2 GLY A 128 10.875 3.677 -2.663 1.00 70.44 H new ATOM 0 HA3 GLY A 128 11.588 4.367 -1.218 1.00 70.44 H new ATOM 2041 N TYR A 129 12.907 5.213 -3.442 1.00 10.21 N ATOM 2042 CA TYR A 129 13.743 5.728 -4.530 1.00 5.34 C ATOM 2043 C TYR A 129 15.109 6.241 -4.053 1.00 61.02 C ATOM 2044 O TYR A 129 15.512 7.379 -4.298 1.00 61.03 O ATOM 2045 CB TYR A 129 12.949 6.792 -5.309 1.00 54.01 C ATOM 2046 CG TYR A 129 12.131 6.197 -6.434 1.00 22.44 C ATOM 2047 CD1 TYR A 129 11.032 5.363 -6.152 1.00 4.33 C ATOM 2048 CD2 TYR A 129 12.523 6.424 -7.767 1.00 30.23 C ATOM 2049 CE1 TYR A 129 10.340 4.734 -7.198 1.00 45.03 C ATOM 2050 CE2 TYR A 129 11.834 5.805 -8.820 1.00 31.34 C ATOM 2051 CZ TYR A 129 10.751 4.948 -8.533 1.00 33.33 C ATOM 2052 OH TYR A 129 10.122 4.306 -9.547 1.00 62.40 O ATOM 0 H TYR A 129 12.190 5.889 -3.178 1.00 10.21 H new ATOM 0 HA TYR A 129 13.984 4.903 -5.200 1.00 5.34 H new ATOM 0 HB2 TYR A 129 12.287 7.321 -4.623 1.00 54.01 H new ATOM 0 HB3 TYR A 129 13.640 7.529 -5.717 1.00 54.01 H new ATOM 0 HD1 TYR A 129 10.721 5.207 -5.129 1.00 4.33 H new ATOM 0 HD2 TYR A 129 13.357 7.077 -7.979 1.00 30.23 H new ATOM 0 HE1 TYR A 129 9.499 4.091 -6.984 1.00 45.03 H new ATOM 0 HE2 TYR A 129 12.130 5.983 -9.843 1.00 31.34 H new ATOM 0 HH TYR A 129 10.528 4.566 -10.400 1.00 62.40 H new ATOM 2062 N ASP A 130 15.857 5.364 -3.400 1.00 3.31 N ATOM 2063 CA ASP A 130 17.223 5.616 -2.945 1.00 64.02 C ATOM 2064 C ASP A 130 17.993 4.307 -2.742 1.00 43.34 C ATOM 2065 O ASP A 130 19.214 4.263 -2.934 1.00 53.42 O ATOM 2066 CB ASP A 130 17.181 6.419 -1.635 1.00 70.10 C ATOM 2067 CG ASP A 130 18.538 6.453 -0.934 1.00 74.33 C ATOM 2068 OD1 ASP A 130 19.502 6.995 -1.523 1.00 50.10 O ATOM 2069 OD2 ASP A 130 18.622 5.932 0.204 1.00 22.05 O ATOM 0 H ASP A 130 15.524 4.429 -3.164 1.00 3.31 H new ATOM 0 HA ASP A 130 17.745 6.189 -3.711 1.00 64.02 H new ATOM 0 HB2 ASP A 130 16.858 7.438 -1.846 1.00 70.10 H new ATOM 0 HB3 ASP A 130 16.440 5.981 -0.966 1.00 70.10 H new ATOM 2074 N LEU A 131 17.292 3.235 -2.364 1.00 10.13 N ATOM 2075 CA LEU A 131 17.927 2.008 -1.898 1.00 2.24 C ATOM 2076 C LEU A 131 18.623 1.322 -3.098 1.00 45.22 C ATOM 2077 O LEU A 131 18.105 1.360 -4.221 1.00 41.23 O ATOM 2078 CB LEU A 131 16.875 1.182 -1.128 1.00 4.44 C ATOM 2079 CG LEU A 131 16.327 -0.065 -1.833 1.00 2.24 C ATOM 2080 CD1 LEU A 131 17.237 -1.227 -1.431 1.00 2.55 C ATOM 2081 CD2 LEU A 131 14.888 -0.368 -1.418 1.00 72.41 C ATOM 0 H LEU A 131 16.273 3.197 -2.374 1.00 10.13 H new ATOM 0 HA LEU A 131 18.731 2.173 -1.180 1.00 2.24 H new ATOM 0 HB2 LEU A 131 17.314 0.871 -0.180 1.00 4.44 H new ATOM 0 HB3 LEU A 131 16.035 1.836 -0.892 1.00 4.44 H new ATOM 0 HG LEU A 131 16.316 0.092 -2.912 1.00 2.24 H new ATOM 0 HD11 LEU A 131 16.889 -2.143 -1.908 1.00 2.55 H new ATOM 0 HD12 LEU A 131 18.258 -1.017 -1.750 1.00 2.55 H new ATOM 0 HD13 LEU A 131 17.213 -1.350 -0.348 1.00 2.55 H new ATOM 0 HD21 LEU A 131 14.539 -1.259 -1.940 1.00 72.41 H new ATOM 0 HD22 LEU A 131 14.848 -0.539 -0.342 1.00 72.41 H new ATOM 0 HD23 LEU A 131 14.250 0.477 -1.675 1.00 72.41 H new ATOM 2093 N PRO A 132 19.791 0.686 -2.899 1.00 14.23 N ATOM 2094 CA PRO A 132 20.585 0.149 -3.992 1.00 42.11 C ATOM 2095 C PRO A 132 20.156 -1.272 -4.362 1.00 51.44 C ATOM 2096 O PRO A 132 19.424 -1.962 -3.648 1.00 13.33 O ATOM 2097 CB PRO A 132 22.023 0.166 -3.471 1.00 1.32 C ATOM 2098 CG PRO A 132 21.820 -0.167 -2.000 1.00 1.44 C ATOM 2099 CD PRO A 132 20.555 0.623 -1.662 1.00 22.33 C ATOM 0 HA PRO A 132 20.463 0.736 -4.902 1.00 42.11 H new ATOM 0 HB2 PRO A 132 22.650 -0.570 -3.975 1.00 1.32 H new ATOM 0 HB3 PRO A 132 22.497 1.138 -3.609 1.00 1.32 H new ATOM 0 HG2 PRO A 132 21.687 -1.237 -1.839 1.00 1.44 H new ATOM 0 HG3 PRO A 132 22.669 0.144 -1.391 1.00 1.44 H new ATOM 0 HD2 PRO A 132 19.985 0.132 -0.874 1.00 22.33 H new ATOM 0 HD3 PRO A 132 20.801 1.622 -1.302 1.00 22.33 H new ATOM 2107 N ILE A 133 20.691 -1.755 -5.478 1.00 54.40 N ATOM 2108 CA ILE A 133 20.369 -3.054 -6.042 1.00 3.42 C ATOM 2109 C ILE A 133 20.807 -4.242 -5.160 1.00 41.11 C ATOM 2110 O ILE A 133 20.347 -5.370 -5.382 1.00 5.43 O ATOM 2111 CB ILE A 133 20.898 -3.083 -7.490 1.00 21.01 C ATOM 2112 CG1 ILE A 133 20.309 -4.264 -8.276 1.00 1.55 C ATOM 2113 CG2 ILE A 133 22.431 -3.042 -7.557 1.00 53.41 C ATOM 2114 CD1 ILE A 133 20.335 -4.013 -9.784 1.00 1.15 C ATOM 0 H ILE A 133 21.378 -1.238 -6.027 1.00 54.40 H new ATOM 0 HA ILE A 133 19.288 -3.189 -6.069 1.00 3.42 H new ATOM 0 HB ILE A 133 20.554 -2.169 -7.975 1.00 21.01 H new ATOM 0 HG12 ILE A 133 20.872 -5.169 -8.049 1.00 1.55 H new ATOM 0 HG13 ILE A 133 19.282 -4.439 -7.954 1.00 1.55 H new ATOM 0 HG21 ILE A 133 22.750 -3.065 -8.599 1.00 53.41 H new ATOM 0 HG22 ILE A 133 22.791 -2.127 -7.087 1.00 53.41 H new ATOM 0 HG23 ILE A 133 22.841 -3.905 -7.033 1.00 53.41 H new ATOM 0 HD11 ILE A 133 19.910 -4.872 -10.303 1.00 1.15 H new ATOM 0 HD12 ILE A 133 19.750 -3.123 -10.015 1.00 1.15 H new ATOM 0 HD13 ILE A 133 21.364 -3.865 -10.110 1.00 1.15 H new ATOM 2126 N GLY A 134 21.657 -4.032 -4.152 1.00 2.54 N ATOM 2127 CA GLY A 134 22.095 -5.078 -3.238 1.00 62.30 C ATOM 2128 C GLY A 134 21.177 -5.177 -2.026 1.00 72.22 C ATOM 2129 O GLY A 134 20.622 -6.258 -1.792 1.00 54.20 O ATOM 0 H GLY A 134 22.063 -3.118 -3.949 1.00 2.54 H new ATOM 0 HA2 GLY A 134 22.115 -6.035 -3.760 1.00 62.30 H new ATOM 0 HA3 GLY A 134 23.114 -4.873 -2.909 1.00 62.30 H new ATOM 2133 N GLU A 135 20.975 -4.075 -1.291 1.00 41.32 N ATOM 2134 CA GLU A 135 20.282 -4.017 0.010 1.00 65.30 C ATOM 2135 C GLU A 135 18.797 -4.384 -0.042 1.00 45.21 C ATOM 2136 O GLU A 135 18.148 -4.503 0.997 1.00 65.10 O ATOM 2137 CB GLU A 135 20.477 -2.655 0.700 1.00 22.34 C ATOM 2138 CG GLU A 135 21.942 -2.316 1.010 1.00 24.32 C ATOM 2139 CD GLU A 135 22.752 -3.541 1.428 1.00 22.13 C ATOM 2140 OE1 GLU A 135 22.684 -3.971 2.604 1.00 61.22 O ATOM 2141 OE2 GLU A 135 23.410 -4.138 0.546 1.00 4.54 O ATOM 0 H GLU A 135 21.303 -3.159 -1.597 1.00 41.32 H new ATOM 0 HA GLU A 135 20.760 -4.792 0.608 1.00 65.30 H new ATOM 0 HB2 GLU A 135 20.061 -1.874 0.064 1.00 22.34 H new ATOM 0 HB3 GLU A 135 19.908 -2.645 1.630 1.00 22.34 H new ATOM 0 HG2 GLU A 135 22.401 -1.865 0.130 1.00 24.32 H new ATOM 0 HG3 GLU A 135 21.978 -1.572 1.806 1.00 24.32 H new ATOM 2148 N LEU A 136 18.273 -4.661 -1.238 1.00 1.52 N ATOM 2149 CA LEU A 136 16.934 -5.186 -1.449 1.00 44.22 C ATOM 2150 C LEU A 136 16.631 -6.325 -0.466 1.00 23.33 C ATOM 2151 O LEU A 136 15.581 -6.306 0.174 1.00 63.30 O ATOM 2152 CB LEU A 136 16.796 -5.665 -2.909 1.00 1.43 C ATOM 2153 CG LEU A 136 15.374 -5.562 -3.506 1.00 64.02 C ATOM 2154 CD1 LEU A 136 15.238 -6.528 -4.691 1.00 3.11 C ATOM 2155 CD2 LEU A 136 14.206 -5.825 -2.555 1.00 14.43 C ATOM 0 H LEU A 136 18.788 -4.520 -2.107 1.00 1.52 H new ATOM 0 HA LEU A 136 16.208 -4.394 -1.265 1.00 44.22 H new ATOM 0 HB2 LEU A 136 17.476 -5.083 -3.531 1.00 1.43 H new ATOM 0 HB3 LEU A 136 17.122 -6.704 -2.966 1.00 1.43 H new ATOM 0 HG LEU A 136 15.292 -4.513 -3.791 1.00 64.02 H new ATOM 0 HD11 LEU A 136 14.234 -6.452 -5.109 1.00 3.11 H new ATOM 0 HD12 LEU A 136 15.970 -6.270 -5.456 1.00 3.11 H new ATOM 0 HD13 LEU A 136 15.413 -7.549 -4.350 1.00 3.11 H new ATOM 0 HD21 LEU A 136 13.266 -5.722 -3.096 1.00 14.43 H new ATOM 0 HD22 LEU A 136 14.284 -6.835 -2.153 1.00 14.43 H new ATOM 0 HD23 LEU A 136 14.234 -5.106 -1.736 1.00 14.43 H new ATOM 2167 N LYS A 137 17.521 -7.322 -0.328 1.00 22.24 N ATOM 2168 CA LYS A 137 17.241 -8.443 0.573 1.00 54.52 C ATOM 2169 C LYS A 137 17.148 -7.966 2.011 1.00 12.43 C ATOM 2170 O LYS A 137 16.195 -8.371 2.665 1.00 31.32 O ATOM 2171 CB LYS A 137 18.234 -9.605 0.486 1.00 3.24 C ATOM 2172 CG LYS A 137 18.302 -10.248 -0.903 1.00 25.04 C ATOM 2173 CD LYS A 137 18.993 -11.619 -0.868 1.00 65.32 C ATOM 2174 CE LYS A 137 20.312 -11.595 -0.085 1.00 70.10 C ATOM 2175 NZ LYS A 137 21.069 -12.851 -0.235 1.00 10.13 N ATOM 0 H LYS A 137 18.415 -7.373 -0.816 1.00 22.24 H new ATOM 0 HA LYS A 137 16.283 -8.837 0.234 1.00 54.52 H new ATOM 0 HB2 LYS A 137 19.226 -9.246 0.761 1.00 3.24 H new ATOM 0 HB3 LYS A 137 17.957 -10.365 1.216 1.00 3.24 H new ATOM 0 HG2 LYS A 137 17.293 -10.360 -1.300 1.00 25.04 H new ATOM 0 HG3 LYS A 137 18.841 -9.588 -1.582 1.00 25.04 H new ATOM 0 HD2 LYS A 137 18.321 -12.349 -0.418 1.00 65.32 H new ATOM 0 HD3 LYS A 137 19.186 -11.950 -1.888 1.00 65.32 H new ATOM 0 HE2 LYS A 137 20.923 -10.761 -0.430 1.00 70.10 H new ATOM 0 HE3 LYS A 137 20.103 -11.422 0.971 1.00 70.10 H new ATOM 0 HZ1 LYS A 137 21.953 -12.791 0.310 1.00 10.13 H new ATOM 0 HZ2 LYS A 137 20.498 -13.645 0.118 1.00 10.13 H new ATOM 0 HZ3 LYS A 137 21.292 -13.004 -1.239 1.00 10.13 H new ATOM 2189 N GLN A 138 18.063 -7.120 2.496 1.00 53.40 N ATOM 2190 CA GLN A 138 18.020 -6.604 3.865 1.00 72.04 C ATOM 2191 C GLN A 138 16.633 -6.040 4.171 1.00 61.21 C ATOM 2192 O GLN A 138 16.009 -6.422 5.158 1.00 25.33 O ATOM 2193 CB GLN A 138 19.120 -5.550 4.093 1.00 12.43 C ATOM 2194 CG GLN A 138 19.206 -5.102 5.563 1.00 65.34 C ATOM 2195 CD GLN A 138 19.447 -6.281 6.504 1.00 25.41 C ATOM 2196 OE1 GLN A 138 20.427 -7.015 6.375 1.00 54.51 O ATOM 2197 NE2 GLN A 138 18.556 -6.531 7.449 1.00 33.15 N ATOM 0 H GLN A 138 18.853 -6.775 1.950 1.00 53.40 H new ATOM 0 HA GLN A 138 18.213 -7.426 4.554 1.00 72.04 H new ATOM 0 HB2 GLN A 138 20.082 -5.959 3.784 1.00 12.43 H new ATOM 0 HB3 GLN A 138 18.925 -4.683 3.462 1.00 12.43 H new ATOM 0 HG2 GLN A 138 20.012 -4.377 5.675 1.00 65.34 H new ATOM 0 HG3 GLN A 138 18.282 -4.597 5.843 1.00 65.34 H new ATOM 0 HE21 GLN A 138 17.744 -5.924 7.557 1.00 33.15 H new ATOM 0 HE22 GLN A 138 18.681 -7.331 8.069 1.00 33.15 H new ATOM 2206 N THR A 139 16.121 -5.189 3.288 1.00 10.11 N ATOM 2207 CA THR A 139 14.798 -4.603 3.410 1.00 62.22 C ATOM 2208 C THR A 139 13.702 -5.685 3.474 1.00 23.05 C ATOM 2209 O THR A 139 12.762 -5.554 4.254 1.00 70.04 O ATOM 2210 CB THR A 139 14.636 -3.629 2.234 1.00 12.21 C ATOM 2211 OG1 THR A 139 15.725 -2.718 2.247 1.00 31.13 O ATOM 2212 CG2 THR A 139 13.341 -2.830 2.283 1.00 13.41 C ATOM 0 H THR A 139 16.625 -4.884 2.455 1.00 10.11 H new ATOM 0 HA THR A 139 14.688 -4.057 4.347 1.00 62.22 H new ATOM 0 HB THR A 139 14.611 -4.229 1.324 1.00 12.21 H new ATOM 0 HG1 THR A 139 15.635 -2.090 1.500 1.00 31.13 H new ATOM 0 HG21 THR A 139 13.293 -2.163 1.423 1.00 13.41 H new ATOM 0 HG22 THR A 139 12.491 -3.512 2.261 1.00 13.41 H new ATOM 0 HG23 THR A 139 13.311 -2.242 3.200 1.00 13.41 H new ATOM 2220 N ILE A 140 13.814 -6.784 2.720 1.00 42.13 N ATOM 2221 CA ILE A 140 12.853 -7.886 2.787 1.00 13.33 C ATOM 2222 C ILE A 140 12.969 -8.576 4.146 1.00 33.15 C ATOM 2223 O ILE A 140 11.943 -8.929 4.733 1.00 4.51 O ATOM 2224 CB ILE A 140 13.028 -8.899 1.628 1.00 72.00 C ATOM 2225 CG1 ILE A 140 12.850 -8.257 0.235 1.00 21.24 C ATOM 2226 CG2 ILE A 140 11.964 -10.003 1.748 1.00 41.31 C ATOM 2227 CD1 ILE A 140 13.325 -9.155 -0.916 1.00 31.11 C ATOM 0 H ILE A 140 14.569 -6.933 2.051 1.00 42.13 H new ATOM 0 HA ILE A 140 11.852 -7.469 2.674 1.00 13.33 H new ATOM 0 HB ILE A 140 14.043 -9.287 1.712 1.00 72.00 H new ATOM 0 HG12 ILE A 140 11.798 -8.015 0.087 1.00 21.24 H new ATOM 0 HG13 ILE A 140 13.401 -7.317 0.203 1.00 21.24 H new ATOM 0 HG21 ILE A 140 12.086 -10.716 0.933 1.00 41.31 H new ATOM 0 HG22 ILE A 140 12.080 -10.518 2.702 1.00 41.31 H new ATOM 0 HG23 ILE A 140 10.970 -9.558 1.695 1.00 41.31 H new ATOM 0 HD11 ILE A 140 13.171 -8.642 -1.865 1.00 31.11 H new ATOM 0 HD12 ILE A 140 14.385 -9.376 -0.791 1.00 31.11 H new ATOM 0 HD13 ILE A 140 12.757 -10.085 -0.910 1.00 31.11 H new ATOM 2239 N GLN A 141 14.194 -8.809 4.627 1.00 42.24 N ATOM 2240 CA GLN A 141 14.456 -9.462 5.901 1.00 22.14 C ATOM 2241 C GLN A 141 13.694 -8.718 6.990 1.00 12.45 C ATOM 2242 O GLN A 141 12.846 -9.314 7.657 1.00 50.44 O ATOM 2243 CB GLN A 141 15.967 -9.649 6.159 1.00 50.33 C ATOM 2244 CG GLN A 141 16.701 -10.314 4.974 1.00 53.41 C ATOM 2245 CD GLN A 141 17.628 -11.454 5.365 1.00 63.32 C ATOM 2246 OE1 GLN A 141 18.687 -11.252 5.949 1.00 31.15 O ATOM 2247 NE2 GLN A 141 17.337 -12.674 4.946 1.00 51.20 N ATOM 0 H GLN A 141 15.043 -8.542 4.128 1.00 42.24 H new ATOM 0 HA GLN A 141 14.082 -10.486 5.893 1.00 22.14 H new ATOM 0 HB2 GLN A 141 16.419 -8.678 6.361 1.00 50.33 H new ATOM 0 HB3 GLN A 141 16.105 -10.257 7.053 1.00 50.33 H new ATOM 0 HG2 GLN A 141 15.960 -10.691 4.269 1.00 53.41 H new ATOM 0 HG3 GLN A 141 17.281 -9.554 4.450 1.00 53.41 H new ATOM 0 HE21 GLN A 141 16.458 -12.850 4.459 1.00 51.20 H new ATOM 0 HE22 GLN A 141 17.992 -13.439 5.109 1.00 51.20 H new ATOM 2256 N ASN A 142 13.876 -7.402 7.012 1.00 1.23 N ATOM 2257 CA ASN A 142 13.252 -6.486 7.961 1.00 42.30 C ATOM 2258 C ASN A 142 11.729 -6.517 7.846 1.00 10.34 C ATOM 2259 O ASN A 142 11.028 -6.646 8.847 1.00 24.15 O ATOM 2260 CB ASN A 142 13.730 -5.050 7.717 1.00 11.25 C ATOM 2261 CG ASN A 142 15.213 -4.820 7.954 1.00 5.44 C ATOM 2262 OD1 ASN A 142 15.982 -5.717 8.282 1.00 70.04 O ATOM 2263 ND2 ASN A 142 15.652 -3.594 7.763 1.00 43.10 N ATOM 0 H ASN A 142 14.484 -6.926 6.345 1.00 1.23 H new ATOM 0 HA ASN A 142 13.543 -6.812 8.960 1.00 42.30 H new ATOM 0 HB2 ASN A 142 13.494 -4.774 6.689 1.00 11.25 H new ATOM 0 HB3 ASN A 142 13.165 -4.380 8.365 1.00 11.25 H new ATOM 0 HD21 ASN A 142 16.642 -3.382 7.888 1.00 43.10 H new ATOM 0 HD22 ASN A 142 15.002 -2.856 7.490 1.00 43.10 H new ATOM 2270 N VAL A 143 11.192 -6.425 6.626 1.00 62.02 N ATOM 2271 CA VAL A 143 9.745 -6.410 6.384 1.00 54.31 C ATOM 2272 C VAL A 143 9.057 -7.642 6.972 1.00 22.11 C ATOM 2273 O VAL A 143 7.910 -7.566 7.415 1.00 25.42 O ATOM 2274 CB VAL A 143 9.474 -6.224 4.872 1.00 14.24 C ATOM 2275 CG1 VAL A 143 8.043 -6.570 4.425 1.00 52.22 C ATOM 2276 CG2 VAL A 143 9.677 -4.745 4.522 1.00 73.20 C ATOM 0 H VAL A 143 11.750 -6.359 5.775 1.00 62.02 H new ATOM 0 HA VAL A 143 9.304 -5.561 6.906 1.00 54.31 H new ATOM 0 HB VAL A 143 10.159 -6.906 4.368 1.00 14.24 H new ATOM 0 HG11 VAL A 143 7.948 -6.409 3.351 1.00 52.22 H new ATOM 0 HG12 VAL A 143 7.832 -7.614 4.655 1.00 52.22 H new ATOM 0 HG13 VAL A 143 7.333 -5.932 4.952 1.00 52.22 H new ATOM 0 HG21 VAL A 143 9.490 -4.594 3.459 1.00 73.20 H new ATOM 0 HG22 VAL A 143 8.984 -4.135 5.102 1.00 73.20 H new ATOM 0 HG23 VAL A 143 10.701 -4.453 4.756 1.00 73.20 H new ATOM 2286 N LYS A 144 9.727 -8.795 6.995 1.00 13.35 N ATOM 2287 CA LYS A 144 9.119 -9.991 7.560 1.00 65.13 C ATOM 2288 C LYS A 144 9.022 -9.896 9.085 1.00 32.12 C ATOM 2289 O LYS A 144 8.170 -10.585 9.646 1.00 43.34 O ATOM 2290 CB LYS A 144 9.933 -11.222 7.154 1.00 2.42 C ATOM 2291 CG LYS A 144 9.808 -11.493 5.646 1.00 22.13 C ATOM 2292 CD LYS A 144 10.795 -12.554 5.149 1.00 4.13 C ATOM 2293 CE LYS A 144 12.234 -12.084 5.396 1.00 72.22 C ATOM 2294 NZ LYS A 144 12.882 -12.775 6.538 1.00 2.54 N ATOM 0 H LYS A 144 10.673 -8.922 6.635 1.00 13.35 H new ATOM 0 HA LYS A 144 8.106 -10.082 7.168 1.00 65.13 H new ATOM 0 HB2 LYS A 144 10.981 -11.072 7.414 1.00 2.42 H new ATOM 0 HB3 LYS A 144 9.587 -12.091 7.713 1.00 2.42 H new ATOM 0 HG2 LYS A 144 8.791 -11.816 5.423 1.00 22.13 H new ATOM 0 HG3 LYS A 144 9.974 -10.565 5.100 1.00 22.13 H new ATOM 0 HD2 LYS A 144 10.618 -13.498 5.664 1.00 4.13 H new ATOM 0 HD3 LYS A 144 10.640 -12.737 4.086 1.00 4.13 H new ATOM 0 HE2 LYS A 144 12.824 -12.251 4.495 1.00 72.22 H new ATOM 0 HE3 LYS A 144 12.233 -11.010 5.582 1.00 72.22 H new ATOM 0 HZ1 LYS A 144 13.349 -12.074 7.148 1.00 2.54 H new ATOM 0 HZ2 LYS A 144 12.163 -13.288 7.087 1.00 2.54 H new ATOM 0 HZ3 LYS A 144 13.589 -13.448 6.180 1.00 2.54 H new ATOM 2308 N GLU A 145 9.857 -9.095 9.751 1.00 1.34 N ATOM 2309 CA GLU A 145 9.841 -8.924 11.201 1.00 31.12 C ATOM 2310 C GLU A 145 8.695 -8.007 11.627 1.00 60.32 C ATOM 2311 O GLU A 145 8.032 -8.303 12.625 1.00 42.50 O ATOM 2312 CB GLU A 145 11.183 -8.381 11.715 1.00 34.21 C ATOM 2313 CG GLU A 145 12.344 -9.295 11.310 1.00 73.11 C ATOM 2314 CD GLU A 145 13.571 -9.111 12.201 1.00 35.04 C ATOM 2315 OE1 GLU A 145 13.599 -9.703 13.307 1.00 2.31 O ATOM 2316 OE2 GLU A 145 14.577 -8.524 11.744 1.00 23.22 O ATOM 0 H GLU A 145 10.575 -8.538 9.287 1.00 1.34 H new ATOM 0 HA GLU A 145 9.683 -9.906 11.647 1.00 31.12 H new ATOM 0 HB2 GLU A 145 11.349 -7.380 11.317 1.00 34.21 H new ATOM 0 HB3 GLU A 145 11.150 -8.291 12.801 1.00 34.21 H new ATOM 0 HG2 GLU A 145 12.018 -10.334 11.357 1.00 73.11 H new ATOM 0 HG3 GLU A 145 12.617 -9.093 10.274 1.00 73.11 H new ATOM 2323 N GLU A 146 8.415 -6.952 10.856 1.00 72.14 N ATOM 2324 CA GLU A 146 7.208 -6.144 11.022 1.00 23.35 C ATOM 2325 C GLU A 146 5.978 -7.007 10.746 1.00 24.21 C ATOM 2326 O GLU A 146 5.064 -7.071 11.563 1.00 1.53 O ATOM 2327 CB GLU A 146 7.220 -4.924 10.098 1.00 64.03 C ATOM 2328 CG GLU A 146 8.158 -3.814 10.552 1.00 14.25 C ATOM 2329 CD GLU A 146 7.682 -2.433 10.078 1.00 63.34 C ATOM 2330 OE1 GLU A 146 7.220 -2.298 8.916 1.00 21.13 O ATOM 2331 OE2 GLU A 146 7.759 -1.484 10.891 1.00 41.51 O ATOM 0 H GLU A 146 9.021 -6.636 10.099 1.00 72.14 H new ATOM 0 HA GLU A 146 7.176 -5.778 12.048 1.00 23.35 H new ATOM 0 HB2 GLU A 146 7.508 -5.242 9.096 1.00 64.03 H new ATOM 0 HB3 GLU A 146 6.208 -4.525 10.027 1.00 64.03 H new ATOM 0 HG2 GLU A 146 8.228 -3.820 11.640 1.00 14.25 H new ATOM 0 HG3 GLU A 146 9.160 -4.005 10.167 1.00 14.25 H new ATOM 2338 N ASN A 147 5.977 -7.759 9.641 1.00 31.11 N ATOM 2339 CA ASN A 147 4.848 -8.624 9.306 1.00 23.35 C ATOM 2340 C ASN A 147 4.608 -9.682 10.371 1.00 12.45 C ATOM 2341 O ASN A 147 3.480 -10.159 10.500 1.00 4.52 O ATOM 2342 CB ASN A 147 5.069 -9.342 7.971 1.00 54.12 C ATOM 2343 CG ASN A 147 4.936 -8.410 6.784 1.00 33.14 C ATOM 2344 OD1 ASN A 147 4.531 -7.266 6.901 1.00 24.01 O ATOM 2345 ND2 ASN A 147 5.237 -8.898 5.599 1.00 71.22 N ATOM 0 H ASN A 147 6.743 -7.785 8.968 1.00 31.11 H new ATOM 0 HA ASN A 147 3.979 -7.969 9.239 1.00 23.35 H new ATOM 0 HB2 ASN A 147 6.061 -9.794 7.965 1.00 54.12 H new ATOM 0 HB3 ASN A 147 4.348 -10.154 7.875 1.00 54.12 H new ATOM 0 HD21 ASN A 147 5.132 -8.318 4.767 1.00 71.22 H new ATOM 0 HD22 ASN A 147 5.575 -9.857 5.513 1.00 71.22 H new ATOM 2352 N ALA A 148 5.648 -10.097 11.101 1.00 50.33 N ATOM 2353 CA ALA A 148 5.488 -10.982 12.235 1.00 32.04 C ATOM 2354 C ALA A 148 4.680 -10.283 13.329 1.00 63.21 C ATOM 2355 O ALA A 148 3.735 -10.883 13.825 1.00 64.04 O ATOM 2356 CB ALA A 148 6.837 -11.475 12.756 1.00 24.12 C ATOM 0 H ALA A 148 6.614 -9.825 10.916 1.00 50.33 H new ATOM 0 HA ALA A 148 4.937 -11.865 11.912 1.00 32.04 H new ATOM 0 HB1 ALA A 148 6.678 -12.137 13.607 1.00 24.12 H new ATOM 0 HB2 ALA A 148 7.356 -12.018 11.966 1.00 24.12 H new ATOM 0 HB3 ALA A 148 7.441 -10.622 13.067 1.00 24.12 H new ATOM 2362 N ALA A 149 5.012 -9.037 13.678 1.00 40.34 N ATOM 2363 CA ALA A 149 4.268 -8.258 14.664 1.00 20.32 C ATOM 2364 C ALA A 149 2.804 -8.066 14.243 1.00 44.40 C ATOM 2365 O ALA A 149 1.916 -8.146 15.091 1.00 72.24 O ATOM 2366 CB ALA A 149 4.965 -6.912 14.892 1.00 21.14 C ATOM 0 H ALA A 149 5.809 -8.540 13.281 1.00 40.34 H new ATOM 0 HA ALA A 149 4.255 -8.810 15.604 1.00 20.32 H new ATOM 0 HB1 ALA A 149 4.407 -6.333 15.628 1.00 21.14 H new ATOM 0 HB2 ALA A 149 5.978 -7.084 15.257 1.00 21.14 H new ATOM 0 HB3 ALA A 149 5.007 -6.360 13.953 1.00 21.14 H new ATOM 2372 N PHE A 150 2.525 -7.850 12.953 1.00 35.03 N ATOM 2373 CA PHE A 150 1.148 -7.809 12.462 1.00 41.50 C ATOM 2374 C PHE A 150 0.457 -9.151 12.731 1.00 21.15 C ATOM 2375 O PHE A 150 -0.551 -9.232 13.439 1.00 12.25 O ATOM 2376 CB PHE A 150 1.110 -7.458 10.965 1.00 55.42 C ATOM 2377 CG PHE A 150 -0.305 -7.304 10.430 1.00 42.53 C ATOM 2378 CD1 PHE A 150 -1.091 -8.429 10.106 1.00 45.42 C ATOM 2379 CD2 PHE A 150 -0.861 -6.020 10.298 1.00 23.45 C ATOM 2380 CE1 PHE A 150 -2.411 -8.267 9.655 1.00 64.30 C ATOM 2381 CE2 PHE A 150 -2.192 -5.865 9.880 1.00 40.52 C ATOM 2382 CZ PHE A 150 -2.963 -6.985 9.536 1.00 13.53 C ATOM 0 H PHE A 150 3.233 -7.702 12.234 1.00 35.03 H new ATOM 0 HA PHE A 150 0.608 -7.028 12.997 1.00 41.50 H new ATOM 0 HB2 PHE A 150 1.658 -6.531 10.800 1.00 55.42 H new ATOM 0 HB3 PHE A 150 1.624 -8.237 10.401 1.00 55.42 H new ATOM 0 HD1 PHE A 150 -0.675 -9.421 10.205 1.00 45.42 H new ATOM 0 HD2 PHE A 150 -0.262 -5.149 10.519 1.00 23.45 H new ATOM 0 HE1 PHE A 150 -3.003 -9.134 9.399 1.00 64.30 H new ATOM 0 HE2 PHE A 150 -2.625 -4.877 9.823 1.00 40.52 H new ATOM 0 HZ PHE A 150 -3.976 -6.860 9.182 1.00 13.53 H new ATOM 2392 N LYS A 151 0.989 -10.221 12.128 1.00 53.43 N ATOM 2393 CA LYS A 151 0.333 -11.527 12.078 1.00 40.52 C ATOM 2394 C LYS A 151 0.253 -12.204 13.445 1.00 40.50 C ATOM 2395 O LYS A 151 -0.487 -13.179 13.586 1.00 62.11 O ATOM 2396 CB LYS A 151 1.007 -12.407 11.023 1.00 12.52 C ATOM 2397 CG LYS A 151 2.248 -13.072 11.604 1.00 45.44 C ATOM 2398 CD LYS A 151 2.979 -13.945 10.604 1.00 41.43 C ATOM 2399 CE LYS A 151 3.560 -13.155 9.435 1.00 12.52 C ATOM 2400 NZ LYS A 151 4.580 -13.958 8.738 1.00 50.11 N ATOM 0 H LYS A 151 1.894 -10.201 11.658 1.00 53.43 H new ATOM 0 HA LYS A 151 -0.704 -11.372 11.781 1.00 40.52 H new ATOM 0 HB2 LYS A 151 0.308 -13.167 10.674 1.00 12.52 H new ATOM 0 HB3 LYS A 151 1.281 -11.804 10.157 1.00 12.52 H new ATOM 0 HG2 LYS A 151 2.927 -12.302 11.970 1.00 45.44 H new ATOM 0 HG3 LYS A 151 1.960 -13.678 12.463 1.00 45.44 H new ATOM 0 HD2 LYS A 151 3.784 -14.475 11.113 1.00 41.43 H new ATOM 0 HD3 LYS A 151 2.293 -14.700 10.220 1.00 41.43 H new ATOM 0 HE2 LYS A 151 2.766 -12.880 8.741 1.00 12.52 H new ATOM 0 HE3 LYS A 151 4.002 -12.227 9.797 1.00 12.52 H new ATOM 0 HZ1 LYS A 151 4.969 -13.411 7.944 1.00 50.11 H new ATOM 0 HZ2 LYS A 151 5.345 -14.199 9.400 1.00 50.11 H new ATOM 0 HZ3 LYS A 151 4.147 -14.832 8.377 1.00 50.11 H new ATOM 2414 N GLU A 152 1.051 -11.751 14.412 1.00 43.43 N ATOM 2415 CA GLU A 152 1.029 -12.224 15.782 1.00 63.41 C ATOM 2416 C GLU A 152 -0.379 -12.008 16.346 1.00 71.40 C ATOM 2417 O GLU A 152 -0.942 -12.913 16.967 1.00 41.42 O ATOM 2418 CB GLU A 152 2.106 -11.464 16.580 1.00 12.44 C ATOM 2419 CG GLU A 152 2.388 -12.008 17.980 1.00 54.41 C ATOM 2420 CD GLU A 152 3.135 -13.340 17.945 1.00 63.11 C ATOM 2421 OE1 GLU A 152 2.469 -14.396 17.875 1.00 24.42 O ATOM 2422 OE2 GLU A 152 4.387 -13.350 18.044 1.00 62.11 O ATOM 0 H GLU A 152 1.748 -11.024 14.251 1.00 43.43 H new ATOM 0 HA GLU A 152 1.256 -13.288 15.847 1.00 63.41 H new ATOM 0 HB2 GLU A 152 3.035 -11.477 16.009 1.00 12.44 H new ATOM 0 HB3 GLU A 152 1.801 -10.421 16.668 1.00 12.44 H new ATOM 0 HG2 GLU A 152 2.975 -11.279 18.539 1.00 54.41 H new ATOM 0 HG3 GLU A 152 1.446 -12.136 18.514 1.00 54.41 H new ATOM 2429 N ILE A 153 -0.952 -10.834 16.078 1.00 40.11 N ATOM 2430 CA ILE A 153 -2.217 -10.355 16.617 1.00 0.31 C ATOM 2431 C ILE A 153 -3.349 -10.709 15.653 1.00 34.14 C ATOM 2432 O ILE A 153 -4.371 -11.271 16.063 1.00 54.40 O ATOM 2433 CB ILE A 153 -2.137 -8.826 16.807 1.00 0.24 C ATOM 2434 CG1 ILE A 153 -0.833 -8.393 17.531 1.00 42.22 C ATOM 2435 CG2 ILE A 153 -3.381 -8.308 17.552 1.00 13.34 C ATOM 2436 CD1 ILE A 153 -0.721 -6.900 17.844 1.00 22.35 C ATOM 0 H ILE A 153 -0.521 -10.160 15.446 1.00 40.11 H new ATOM 0 HA ILE A 153 -2.414 -10.827 17.579 1.00 0.31 H new ATOM 0 HB ILE A 153 -2.113 -8.375 15.815 1.00 0.24 H new ATOM 0 HG12 ILE A 153 -0.754 -8.950 18.465 1.00 42.22 H new ATOM 0 HG13 ILE A 153 0.018 -8.683 16.915 1.00 42.22 H new ATOM 0 HG21 ILE A 153 -3.307 -7.228 17.677 1.00 13.34 H new ATOM 0 HG22 ILE A 153 -4.275 -8.546 16.976 1.00 13.34 H new ATOM 0 HG23 ILE A 153 -3.443 -8.783 18.531 1.00 13.34 H new ATOM 0 HD11 ILE A 153 0.225 -6.704 18.349 1.00 22.35 H new ATOM 0 HD12 ILE A 153 -0.762 -6.330 16.916 1.00 22.35 H new ATOM 0 HD13 ILE A 153 -1.546 -6.601 18.490 1.00 22.35 H new ATOM 2448 N HIS A 154 -3.168 -10.368 14.376 1.00 63.24 N ATOM 2449 CA HIS A 154 -4.171 -10.440 13.329 1.00 20.41 C ATOM 2450 C HIS A 154 -3.686 -11.437 12.262 1.00 61.12 C ATOM 2451 O HIS A 154 -3.208 -11.031 11.203 1.00 61.21 O ATOM 2452 CB HIS A 154 -4.454 -9.018 12.813 1.00 53.52 C ATOM 2453 CG HIS A 154 -5.443 -8.220 13.649 1.00 31.14 C ATOM 2454 ND1 HIS A 154 -6.548 -8.715 14.313 1.00 23.45 N ATOM 2455 CD2 HIS A 154 -5.517 -6.852 13.719 1.00 63.13 C ATOM 2456 CE1 HIS A 154 -7.262 -7.676 14.774 1.00 40.34 C ATOM 2457 NE2 HIS A 154 -6.706 -6.514 14.390 1.00 55.42 N ATOM 0 H HIS A 154 -2.273 -10.018 14.034 1.00 63.24 H new ATOM 0 HA HIS A 154 -5.128 -10.819 13.687 1.00 20.41 H new ATOM 0 HB2 HIS A 154 -3.513 -8.470 12.767 1.00 53.52 H new ATOM 0 HB3 HIS A 154 -4.833 -9.086 11.793 1.00 53.52 H new ATOM 0 HD2 HIS A 154 -4.790 -6.156 13.327 1.00 63.13 H new ATOM 0 HE1 HIS A 154 -8.158 -7.762 15.370 1.00 40.34 H new ATOM 0 HE2 HIS A 154 -7.073 -5.576 14.552 1.00 55.42 H new ATOM 2465 N PRO A 155 -3.770 -12.749 12.540 1.00 73.24 N ATOM 2466 CA PRO A 155 -3.218 -13.804 11.701 1.00 54.23 C ATOM 2467 C PRO A 155 -4.008 -13.985 10.411 1.00 45.43 C ATOM 2468 O PRO A 155 -5.259 -13.915 10.434 1.00 73.00 O ATOM 2469 CB PRO A 155 -3.251 -15.069 12.564 1.00 53.11 C ATOM 2470 CG PRO A 155 -4.399 -14.821 13.535 1.00 23.35 C ATOM 2471 CD PRO A 155 -4.301 -13.316 13.767 1.00 24.42 C ATOM 0 HA PRO A 155 -2.205 -13.561 11.379 1.00 54.23 H new ATOM 0 HB2 PRO A 155 -3.424 -15.960 11.960 1.00 53.11 H new ATOM 0 HB3 PRO A 155 -2.308 -15.218 13.090 1.00 53.11 H new ATOM 0 HG2 PRO A 155 -5.361 -15.106 13.110 1.00 23.35 H new ATOM 0 HG3 PRO A 155 -4.280 -15.385 14.460 1.00 23.35 H new ATOM 0 HD2 PRO A 155 -5.279 -12.894 13.999 1.00 24.42 H new ATOM 0 HD3 PRO A 155 -3.649 -13.094 14.612 1.00 24.42 H new TER 2479 PRO A 155