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 141 GLN : amide:sc=-0.00547 X(o=-0.0097,f=0.18) USER MOD Set 1.2: A 144 LYS NZ :NH3+ 146:sc=-0.00423 (180deg=0) USER MOD Set 2.1: A 87 ASN : amide:sc= 0.97 K(o=2.2,f=-8) USER MOD Set 2.2: A 92 LYS NZ :NH3+ -127:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 74 GLN : amide:sc= 0.13 K(o=0.29,f=-2.7!) USER MOD Set 3.2: A 98 TYR OH : rot 15:sc= 0.157 USER MOD Set 4.1: A 55 THR OG1 : rot 180:sc= -0.693 USER MOD Set 4.2: A 58 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.09) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.139 (180deg=0) USER MOD Single : A 3 SER OG : rot 22:sc= 0.103 USER MOD Single : A 6 THR OG1 : rot 43:sc= 0.0116 USER MOD Single : A 7 THR OG1 : rot -36:sc= 0.205 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 THR OG1 : rot 9:sc= 0.589 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 20:sc= 1.1 USER MOD Single : A 27 GLN : amide:sc= 1 K(o=1,f=-6.2!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -33:sc= 0.174 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 138:sc= 1.29 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 14:sc= 1.19 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 67 MET CE :methyl 152:sc= -0.37 (180deg=-1.38) USER MOD Single : A 68 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0117) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 123:sc= 0.116 USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0683) USER MOD Single : A 85 THR OG1 : rot -136:sc= 1.31 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.501 K(o=-0.5,f=-1.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.606 K(o=-0.61,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 140:sc= 0.0691 USER MOD Single : A 127 TYR OH : rot -130:sc=-0.00655 USER MOD Single : A 129 TYR OH : rot 170:sc= 1.1 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.27) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.00609 USER MOD Single : A 142 ASN : amide:sc= 0.222 X(o=0.22,f=0) USER MOD Single : A 147 ASN : amide:sc= -0.163 K(o=-0.16,f=-4.3!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HE2:sc= 0.135 K(o=0.14,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.731 -3.787 10.686 1.00 3.53 N ATOM 2 CA GLY A 1 -27.998 -3.980 9.259 1.00 32.05 C ATOM 3 C GLY A 1 -26.919 -4.848 8.644 1.00 14.15 C ATOM 4 O GLY A 1 -26.190 -5.512 9.379 1.00 14.45 O ATOM 0 H1 GLY A 1 -28.632 -3.733 11.203 1.00 3.53 H new ATOM 0 H2 GLY A 1 -27.173 -4.587 11.046 1.00 3.53 H new ATOM 0 H3 GLY A 1 -27.199 -2.904 10.823 1.00 3.53 H new ATOM 0 HA2 GLY A 1 -28.974 -4.447 9.123 1.00 32.05 H new ATOM 0 HA3 GLY A 1 -28.033 -3.015 8.753 1.00 32.05 H new ATOM 8 N ASP A 2 -26.817 -4.783 7.318 1.00 61.20 N ATOM 9 CA ASP A 2 -25.657 -5.015 6.452 1.00 1.54 C ATOM 10 C ASP A 2 -24.879 -6.308 6.717 1.00 4.54 C ATOM 11 O ASP A 2 -24.226 -6.457 7.751 1.00 20.22 O ATOM 12 CB ASP A 2 -24.696 -3.808 6.480 1.00 12.25 C ATOM 13 CG ASP A 2 -25.347 -2.424 6.425 1.00 51.40 C ATOM 14 OD1 ASP A 2 -26.531 -2.297 6.039 1.00 44.53 O ATOM 15 OD2 ASP A 2 -24.698 -1.472 6.927 1.00 13.22 O ATOM 0 H ASP A 2 -27.635 -4.539 6.760 1.00 61.20 H new ATOM 0 HA ASP A 2 -26.088 -5.138 5.458 1.00 1.54 H new ATOM 0 HB2 ASP A 2 -24.096 -3.869 7.388 1.00 12.25 H new ATOM 0 HB3 ASP A 2 -24.009 -3.897 5.638 1.00 12.25 H new ATOM 20 N SER A 3 -24.905 -7.242 5.769 1.00 54.20 N ATOM 21 CA SER A 3 -23.908 -8.297 5.649 1.00 52.31 C ATOM 22 C SER A 3 -23.583 -8.470 4.176 1.00 22.44 C ATOM 23 O SER A 3 -22.651 -7.854 3.654 1.00 12.55 O ATOM 24 CB SER A 3 -24.408 -9.609 6.271 1.00 75.34 C ATOM 25 OG SER A 3 -24.267 -9.596 7.673 1.00 54.12 O ATOM 0 H SER A 3 -25.631 -7.286 5.054 1.00 54.20 H new ATOM 0 HA SER A 3 -23.006 -8.021 6.196 1.00 52.31 H new ATOM 0 HB2 SER A 3 -25.455 -9.762 6.010 1.00 75.34 H new ATOM 0 HB3 SER A 3 -23.850 -10.448 5.855 1.00 75.34 H new ATOM 0 HG SER A 3 -24.224 -8.669 7.989 1.00 54.12 H new ATOM 31 N GLU A 4 -24.380 -9.278 3.492 1.00 31.01 N ATOM 32 CA GLU A 4 -24.073 -9.746 2.166 1.00 74.34 C ATOM 33 C GLU A 4 -24.742 -8.843 1.136 1.00 0.23 C ATOM 34 O GLU A 4 -25.665 -8.093 1.466 1.00 53.43 O ATOM 35 CB GLU A 4 -24.464 -11.220 2.064 1.00 55.44 C ATOM 36 CG GLU A 4 -25.969 -11.493 2.183 1.00 22.01 C ATOM 37 CD GLU A 4 -26.224 -12.996 2.096 1.00 51.40 C ATOM 38 OE1 GLU A 4 -25.956 -13.710 3.093 1.00 4.24 O ATOM 39 OE2 GLU A 4 -26.626 -13.480 1.013 1.00 43.40 O ATOM 0 H GLU A 4 -25.267 -9.626 3.855 1.00 31.01 H new ATOM 0 HA GLU A 4 -23.005 -9.691 1.956 1.00 74.34 H new ATOM 0 HB2 GLU A 4 -24.112 -11.610 1.109 1.00 55.44 H new ATOM 0 HB3 GLU A 4 -23.945 -11.775 2.846 1.00 55.44 H new ATOM 0 HG2 GLU A 4 -26.346 -11.104 3.129 1.00 22.01 H new ATOM 0 HG3 GLU A 4 -26.507 -10.976 1.388 1.00 22.01 H new ATOM 46 N LEU A 5 -24.264 -8.895 -0.102 1.00 44.40 N ATOM 47 CA LEU A 5 -24.720 -7.997 -1.147 1.00 15.12 C ATOM 48 C LEU A 5 -26.027 -8.560 -1.692 1.00 51.14 C ATOM 49 O LEU A 5 -26.180 -9.782 -1.772 1.00 21.21 O ATOM 50 CB LEU A 5 -23.675 -7.910 -2.263 1.00 44.40 C ATOM 51 CG LEU A 5 -22.354 -7.219 -1.869 1.00 14.14 C ATOM 52 CD1 LEU A 5 -21.380 -8.127 -1.098 1.00 21.43 C ATOM 53 CD2 LEU A 5 -21.686 -6.792 -3.171 1.00 63.34 C ATOM 0 H LEU A 5 -23.552 -9.560 -0.405 1.00 44.40 H new ATOM 0 HA LEU A 5 -24.870 -6.992 -0.752 1.00 15.12 H new ATOM 0 HB2 LEU A 5 -23.450 -8.919 -2.609 1.00 44.40 H new ATOM 0 HB3 LEU A 5 -24.110 -7.374 -3.106 1.00 44.40 H new ATOM 0 HG LEU A 5 -22.589 -6.389 -1.203 1.00 14.14 H new ATOM 0 HD11 LEU A 5 -20.475 -7.569 -0.857 1.00 21.43 H new ATOM 0 HD12 LEU A 5 -21.852 -8.468 -0.177 1.00 21.43 H new ATOM 0 HD13 LEU A 5 -21.121 -8.989 -1.713 1.00 21.43 H new ATOM 0 HD21 LEU A 5 -20.742 -6.295 -2.949 1.00 63.34 H new ATOM 0 HD22 LEU A 5 -21.498 -7.670 -3.788 1.00 63.34 H new ATOM 0 HD23 LEU A 5 -22.340 -6.105 -3.707 1.00 63.34 H new ATOM 65 N THR A 6 -26.918 -7.704 -2.179 1.00 41.30 N ATOM 66 CA THR A 6 -28.107 -8.100 -2.894 1.00 12.41 C ATOM 67 C THR A 6 -27.895 -7.583 -4.303 1.00 73.43 C ATOM 68 O THR A 6 -28.103 -6.394 -4.536 1.00 23.53 O ATOM 69 CB THR A 6 -29.363 -7.592 -2.175 1.00 71.40 C ATOM 70 OG1 THR A 6 -29.238 -6.257 -1.715 1.00 41.11 O ATOM 71 CG2 THR A 6 -29.675 -8.452 -0.945 1.00 23.32 C ATOM 0 H THR A 6 -26.824 -6.693 -2.081 1.00 41.30 H new ATOM 0 HA THR A 6 -28.272 -9.177 -2.934 1.00 12.41 H new ATOM 0 HB THR A 6 -30.158 -7.648 -2.919 1.00 71.40 H new ATOM 0 HG1 THR A 6 -28.804 -5.713 -2.405 1.00 41.11 H new ATOM 0 HG21 THR A 6 -30.570 -8.071 -0.452 1.00 23.32 H new ATOM 0 HG22 THR A 6 -29.842 -9.483 -1.255 1.00 23.32 H new ATOM 0 HG23 THR A 6 -28.835 -8.413 -0.251 1.00 23.32 H new ATOM 79 N THR A 7 -27.426 -8.464 -5.199 1.00 52.13 N ATOM 80 CA THR A 7 -27.307 -8.286 -6.653 1.00 42.00 C ATOM 81 C THR A 7 -26.554 -7.012 -7.100 1.00 23.33 C ATOM 82 O THR A 7 -26.617 -6.621 -8.265 1.00 23.12 O ATOM 83 CB THR A 7 -28.713 -8.508 -7.265 1.00 60.11 C ATOM 84 OG1 THR A 7 -28.718 -8.626 -8.673 1.00 32.11 O ATOM 85 CG2 THR A 7 -29.762 -7.480 -6.819 1.00 61.51 C ATOM 0 H THR A 7 -27.097 -9.384 -4.906 1.00 52.13 H new ATOM 0 HA THR A 7 -26.633 -9.038 -7.063 1.00 42.00 H new ATOM 0 HB THR A 7 -29.005 -9.474 -6.853 1.00 60.11 H new ATOM 0 HG1 THR A 7 -28.046 -8.023 -9.054 1.00 32.11 H new ATOM 0 HG21 THR A 7 -30.717 -7.706 -7.292 1.00 61.51 H new ATOM 0 HG22 THR A 7 -29.875 -7.522 -5.736 1.00 61.51 H new ATOM 0 HG23 THR A 7 -29.440 -6.481 -7.112 1.00 61.51 H new ATOM 93 N GLN A 8 -25.842 -6.352 -6.187 1.00 62.23 N ATOM 94 CA GLN A 8 -25.489 -4.946 -6.312 1.00 60.11 C ATOM 95 C GLN A 8 -24.447 -4.704 -7.404 1.00 31.32 C ATOM 96 O GLN A 8 -23.676 -5.593 -7.769 1.00 51.22 O ATOM 97 CB GLN A 8 -24.953 -4.454 -4.959 1.00 71.20 C ATOM 98 CG GLN A 8 -25.256 -2.974 -4.683 1.00 53.24 C ATOM 99 CD GLN A 8 -24.463 -2.492 -3.477 1.00 1.34 C ATOM 100 OE1 GLN A 8 -24.546 -3.063 -2.390 1.00 53.13 O ATOM 101 NE2 GLN A 8 -23.641 -1.468 -3.632 1.00 4.21 N ATOM 0 H GLN A 8 -25.493 -6.786 -5.333 1.00 62.23 H new ATOM 0 HA GLN A 8 -26.383 -4.392 -6.598 1.00 60.11 H new ATOM 0 HB2 GLN A 8 -25.386 -5.060 -4.163 1.00 71.20 H new ATOM 0 HB3 GLN A 8 -23.874 -4.608 -4.926 1.00 71.20 H new ATOM 0 HG2 GLN A 8 -25.003 -2.374 -5.557 1.00 53.24 H new ATOM 0 HG3 GLN A 8 -26.323 -2.841 -4.503 1.00 53.24 H new ATOM 0 HE21 GLN A 8 -23.576 -0.998 -4.535 1.00 4.21 H new ATOM 0 HE22 GLN A 8 -23.072 -1.148 -2.848 1.00 4.21 H new ATOM 110 N ASP A 9 -24.314 -3.443 -7.808 1.00 21.24 N ATOM 111 CA ASP A 9 -23.437 -2.947 -8.867 1.00 4.15 C ATOM 112 C ASP A 9 -21.955 -2.913 -8.457 1.00 15.21 C ATOM 113 O ASP A 9 -21.128 -2.306 -9.149 1.00 63.31 O ATOM 114 CB ASP A 9 -23.872 -1.520 -9.260 1.00 61.23 C ATOM 115 CG ASP A 9 -25.365 -1.363 -9.543 1.00 31.22 C ATOM 116 OD1 ASP A 9 -26.155 -1.421 -8.577 1.00 72.20 O ATOM 117 OD2 ASP A 9 -25.740 -1.121 -10.713 1.00 41.20 O ATOM 0 H ASP A 9 -24.851 -2.691 -7.376 1.00 21.24 H new ATOM 0 HA ASP A 9 -23.530 -3.638 -9.705 1.00 4.15 H new ATOM 0 HB2 ASP A 9 -23.594 -0.836 -8.458 1.00 61.23 H new ATOM 0 HB3 ASP A 9 -23.314 -1.216 -10.146 1.00 61.23 H new ATOM 122 N GLY A 10 -21.617 -3.541 -7.336 1.00 33.41 N ATOM 123 CA GLY A 10 -20.306 -3.657 -6.749 1.00 21.41 C ATOM 124 C GLY A 10 -20.443 -3.800 -5.237 1.00 61.54 C ATOM 125 O GLY A 10 -21.412 -3.352 -4.616 1.00 41.22 O ATOM 0 H GLY A 10 -22.321 -4.020 -6.774 1.00 33.41 H new ATOM 0 HA2 GLY A 10 -19.785 -4.521 -7.162 1.00 21.41 H new ATOM 0 HA3 GLY A 10 -19.708 -2.778 -6.990 1.00 21.41 H new ATOM 129 N GLU A 11 -19.433 -4.404 -4.634 1.00 75.23 N ATOM 130 CA GLU A 11 -19.091 -4.218 -3.238 1.00 2.33 C ATOM 131 C GLU A 11 -18.851 -2.717 -3.031 1.00 72.11 C ATOM 132 O GLU A 11 -18.410 -2.012 -3.954 1.00 64.43 O ATOM 133 CB GLU A 11 -17.844 -5.073 -2.951 1.00 14.15 C ATOM 134 CG GLU A 11 -17.593 -5.384 -1.480 1.00 35.42 C ATOM 135 CD GLU A 11 -16.583 -6.529 -1.273 1.00 3.14 C ATOM 136 OE1 GLU A 11 -15.557 -6.613 -1.992 1.00 51.23 O ATOM 137 OE2 GLU A 11 -16.785 -7.348 -0.340 1.00 61.40 O ATOM 0 H GLU A 11 -18.813 -5.054 -5.117 1.00 75.23 H new ATOM 0 HA GLU A 11 -19.875 -4.534 -2.550 1.00 2.33 H new ATOM 0 HB2 GLU A 11 -17.936 -6.014 -3.494 1.00 14.15 H new ATOM 0 HB3 GLU A 11 -16.970 -4.558 -3.351 1.00 14.15 H new ATOM 0 HG2 GLU A 11 -17.225 -4.487 -0.982 1.00 35.42 H new ATOM 0 HG3 GLU A 11 -18.537 -5.648 -1.004 1.00 35.42 H new ATOM 144 N ASP A 12 -19.137 -2.196 -1.839 1.00 72.14 N ATOM 145 CA ASP A 12 -18.732 -0.830 -1.526 1.00 4.01 C ATOM 146 C ASP A 12 -17.212 -0.797 -1.406 1.00 15.23 C ATOM 147 O ASP A 12 -16.602 -1.785 -0.982 1.00 1.23 O ATOM 148 CB ASP A 12 -19.365 -0.300 -0.236 1.00 73.42 C ATOM 149 CG ASP A 12 -19.474 1.223 -0.313 1.00 45.21 C ATOM 150 OD1 ASP A 12 -18.405 1.864 -0.263 1.00 33.32 O ATOM 151 OD2 ASP A 12 -20.577 1.771 -0.531 1.00 34.25 O ATOM 0 H ASP A 12 -19.634 -2.684 -1.094 1.00 72.14 H new ATOM 0 HA ASP A 12 -19.080 -0.182 -2.331 1.00 4.01 H new ATOM 0 HB2 ASP A 12 -20.352 -0.740 -0.095 1.00 73.42 H new ATOM 0 HB3 ASP A 12 -18.761 -0.590 0.624 1.00 73.42 H new ATOM 156 N PHE A 13 -16.604 0.349 -1.711 1.00 33.32 N ATOM 157 CA PHE A 13 -15.214 0.589 -1.377 1.00 2.13 C ATOM 158 C PHE A 13 -15.044 0.422 0.134 1.00 4.34 C ATOM 159 O PHE A 13 -14.137 -0.276 0.567 1.00 32.44 O ATOM 160 CB PHE A 13 -14.738 1.960 -1.879 1.00 65.40 C ATOM 161 CG PHE A 13 -15.678 3.106 -1.578 1.00 54.40 C ATOM 162 CD1 PHE A 13 -15.681 3.699 -0.302 1.00 63.31 C ATOM 163 CD2 PHE A 13 -16.578 3.559 -2.562 1.00 41.41 C ATOM 164 CE1 PHE A 13 -16.610 4.701 0.005 1.00 13.14 C ATOM 165 CE2 PHE A 13 -17.486 4.589 -2.263 1.00 12.44 C ATOM 166 CZ PHE A 13 -17.515 5.146 -0.974 1.00 30.53 C ATOM 0 H PHE A 13 -17.061 1.124 -2.191 1.00 33.32 H new ATOM 0 HA PHE A 13 -14.581 -0.139 -1.884 1.00 2.13 H new ATOM 0 HB2 PHE A 13 -13.767 2.178 -1.433 1.00 65.40 H new ATOM 0 HB3 PHE A 13 -14.588 1.905 -2.957 1.00 65.40 H new ATOM 0 HD1 PHE A 13 -14.966 3.381 0.442 1.00 63.31 H new ATOM 0 HD2 PHE A 13 -16.570 3.115 -3.546 1.00 41.41 H new ATOM 0 HE1 PHE A 13 -16.631 5.132 0.995 1.00 13.14 H new ATOM 0 HE2 PHE A 13 -18.161 4.952 -3.024 1.00 12.44 H new ATOM 0 HZ PHE A 13 -18.233 5.917 -0.735 1.00 30.53 H new ATOM 176 N LYS A 14 -15.935 0.970 0.966 1.00 12.31 N ATOM 177 CA LYS A 14 -15.781 0.837 2.413 1.00 74.34 C ATOM 178 C LYS A 14 -15.915 -0.625 2.839 1.00 0.55 C ATOM 179 O LYS A 14 -15.136 -1.084 3.672 1.00 75.13 O ATOM 180 CB LYS A 14 -16.779 1.755 3.128 1.00 53.30 C ATOM 181 CG LYS A 14 -16.606 1.761 4.655 1.00 22.41 C ATOM 182 CD LYS A 14 -15.187 2.133 5.117 1.00 32.34 C ATOM 183 CE LYS A 14 -15.219 2.835 6.477 1.00 31.15 C ATOM 184 NZ LYS A 14 -15.578 4.261 6.326 1.00 74.14 N ATOM 0 H LYS A 14 -16.754 1.499 0.668 1.00 12.31 H new ATOM 0 HA LYS A 14 -14.779 1.153 2.704 1.00 74.34 H new ATOM 0 HB2 LYS A 14 -16.663 2.771 2.751 1.00 53.30 H new ATOM 0 HB3 LYS A 14 -17.793 1.439 2.885 1.00 53.30 H new ATOM 0 HG2 LYS A 14 -17.316 2.465 5.089 1.00 22.41 H new ATOM 0 HG3 LYS A 14 -16.858 0.774 5.044 1.00 22.41 H new ATOM 0 HD2 LYS A 14 -14.575 1.234 5.182 1.00 32.34 H new ATOM 0 HD3 LYS A 14 -14.719 2.784 4.379 1.00 32.34 H new ATOM 0 HE2 LYS A 14 -15.940 2.341 7.129 1.00 31.15 H new ATOM 0 HE3 LYS A 14 -14.244 2.750 6.958 1.00 31.15 H new ATOM 0 HZ1 LYS A 14 -15.593 4.716 7.261 1.00 74.14 H new ATOM 0 HZ2 LYS A 14 -14.875 4.734 5.722 1.00 74.14 H new ATOM 0 HZ3 LYS A 14 -16.518 4.338 5.888 1.00 74.14 H new ATOM 198 N SER A 15 -16.836 -1.360 2.215 1.00 74.14 N ATOM 199 CA SER A 15 -17.138 -2.744 2.535 1.00 13.24 C ATOM 200 C SER A 15 -15.875 -3.605 2.440 1.00 3.22 C ATOM 201 O SER A 15 -15.543 -4.305 3.398 1.00 22.14 O ATOM 202 CB SER A 15 -18.281 -3.259 1.636 1.00 43.24 C ATOM 203 OG SER A 15 -19.214 -4.009 2.378 1.00 32.13 O ATOM 0 H SER A 15 -17.405 -0.993 1.452 1.00 74.14 H new ATOM 0 HA SER A 15 -17.486 -2.812 3.566 1.00 13.24 H new ATOM 0 HB2 SER A 15 -18.783 -2.415 1.162 1.00 43.24 H new ATOM 0 HB3 SER A 15 -17.869 -3.875 0.836 1.00 43.24 H new ATOM 0 HG SER A 15 -19.928 -4.322 1.785 1.00 32.13 H new ATOM 209 N PHE A 16 -15.151 -3.553 1.313 1.00 35.32 N ATOM 210 CA PHE A 16 -13.928 -4.343 1.186 1.00 3.14 C ATOM 211 C PHE A 16 -12.772 -3.741 1.996 1.00 1.13 C ATOM 212 O PHE A 16 -11.878 -4.484 2.404 1.00 4.43 O ATOM 213 CB PHE A 16 -13.525 -4.544 -0.279 1.00 41.34 C ATOM 214 CG PHE A 16 -12.521 -3.544 -0.802 1.00 1.34 C ATOM 215 CD1 PHE A 16 -12.946 -2.261 -1.165 1.00 32.53 C ATOM 216 CD2 PHE A 16 -11.157 -3.872 -0.872 1.00 33.13 C ATOM 217 CE1 PHE A 16 -12.015 -1.288 -1.559 1.00 52.13 C ATOM 218 CE2 PHE A 16 -10.230 -2.918 -1.315 1.00 63.20 C ATOM 219 CZ PHE A 16 -10.656 -1.618 -1.629 1.00 64.10 C ATOM 0 H PHE A 16 -15.386 -2.986 0.498 1.00 35.32 H new ATOM 0 HA PHE A 16 -14.148 -5.325 1.604 1.00 3.14 H new ATOM 0 HB2 PHE A 16 -13.112 -5.546 -0.393 1.00 41.34 H new ATOM 0 HB3 PHE A 16 -14.421 -4.496 -0.898 1.00 41.34 H new ATOM 0 HD1 PHE A 16 -13.998 -2.018 -1.142 1.00 32.53 H new ATOM 0 HD2 PHE A 16 -10.823 -4.858 -0.585 1.00 33.13 H new ATOM 0 HE1 PHE A 16 -12.345 -0.290 -1.807 1.00 52.13 H new ATOM 0 HE2 PHE A 16 -9.188 -3.183 -1.415 1.00 63.20 H new ATOM 0 HZ PHE A 16 -9.934 -0.871 -1.925 1.00 64.10 H new ATOM 229 N LEU A 17 -12.767 -2.420 2.225 1.00 71.23 N ATOM 230 CA LEU A 17 -11.687 -1.732 2.927 1.00 63.24 C ATOM 231 C LEU A 17 -11.607 -2.264 4.347 1.00 40.11 C ATOM 232 O LEU A 17 -10.586 -2.818 4.750 1.00 1.44 O ATOM 233 CB LEU A 17 -11.919 -0.209 2.934 1.00 42.12 C ATOM 234 CG LEU A 17 -10.708 0.695 3.215 1.00 51.23 C ATOM 235 CD1 LEU A 17 -10.037 0.466 4.571 1.00 72.10 C ATOM 236 CD2 LEU A 17 -9.696 0.578 2.077 1.00 60.50 C ATOM 0 H LEU A 17 -13.519 -1.800 1.924 1.00 71.23 H new ATOM 0 HA LEU A 17 -10.745 -1.920 2.411 1.00 63.24 H new ATOM 0 HB2 LEU A 17 -12.330 0.072 1.965 1.00 42.12 H new ATOM 0 HB3 LEU A 17 -12.682 0.011 3.680 1.00 42.12 H new ATOM 0 HG LEU A 17 -11.099 1.711 3.267 1.00 51.23 H new ATOM 0 HD11 LEU A 17 -9.194 1.148 4.680 1.00 72.10 H new ATOM 0 HD12 LEU A 17 -10.757 0.649 5.369 1.00 72.10 H new ATOM 0 HD13 LEU A 17 -9.682 -0.563 4.632 1.00 72.10 H new ATOM 0 HD21 LEU A 17 -8.841 1.221 2.283 1.00 60.50 H new ATOM 0 HD22 LEU A 17 -9.361 -0.456 1.993 1.00 60.50 H new ATOM 0 HD23 LEU A 17 -10.164 0.885 1.141 1.00 60.50 H new ATOM 248 N ASP A 18 -12.713 -2.133 5.085 1.00 62.44 N ATOM 249 CA ASP A 18 -12.782 -2.530 6.485 1.00 42.41 C ATOM 250 C ASP A 18 -12.460 -4.014 6.622 1.00 40.22 C ATOM 251 O ASP A 18 -11.744 -4.421 7.539 1.00 1.44 O ATOM 252 CB ASP A 18 -14.148 -2.192 7.096 1.00 54.42 C ATOM 253 CG ASP A 18 -14.063 -0.918 7.932 1.00 72.40 C ATOM 254 OD1 ASP A 18 -13.309 -0.925 8.937 1.00 53.40 O ATOM 255 OD2 ASP A 18 -14.771 0.062 7.626 1.00 64.43 O ATOM 0 H ASP A 18 -13.585 -1.747 4.723 1.00 62.44 H new ATOM 0 HA ASP A 18 -12.037 -1.963 7.043 1.00 42.41 H new ATOM 0 HB2 ASP A 18 -14.885 -2.065 6.303 1.00 54.42 H new ATOM 0 HB3 ASP A 18 -14.489 -3.020 7.718 1.00 54.42 H new ATOM 260 N LYS A 19 -12.922 -4.821 5.660 1.00 40.12 N ATOM 261 CA LYS A 19 -12.566 -6.216 5.552 1.00 24.44 C ATOM 262 C LYS A 19 -11.069 -6.400 5.396 1.00 4.14 C ATOM 263 O LYS A 19 -10.541 -7.242 6.115 1.00 73.00 O ATOM 264 CB LYS A 19 -13.318 -6.857 4.389 1.00 14.25 C ATOM 265 CG LYS A 19 -14.745 -7.203 4.807 1.00 3.32 C ATOM 266 CD LYS A 19 -15.499 -7.830 3.632 1.00 51.23 C ATOM 267 CE LYS A 19 -16.948 -8.122 4.010 1.00 54.13 C ATOM 268 NZ LYS A 19 -17.781 -8.360 2.815 1.00 52.13 N ATOM 0 H LYS A 19 -13.562 -4.506 4.931 1.00 40.12 H new ATOM 0 HA LYS A 19 -12.856 -6.714 6.477 1.00 24.44 H new ATOM 0 HB2 LYS A 19 -13.336 -6.175 3.539 1.00 14.25 H new ATOM 0 HB3 LYS A 19 -12.798 -7.758 4.064 1.00 14.25 H new ATOM 0 HG2 LYS A 19 -14.728 -7.895 5.649 1.00 3.32 H new ATOM 0 HG3 LYS A 19 -15.262 -6.304 5.143 1.00 3.32 H new ATOM 0 HD2 LYS A 19 -15.471 -7.157 2.775 1.00 51.23 H new ATOM 0 HD3 LYS A 19 -15.005 -8.753 3.328 1.00 51.23 H new ATOM 0 HE2 LYS A 19 -16.986 -8.995 4.661 1.00 54.13 H new ATOM 0 HE3 LYS A 19 -17.353 -7.284 4.576 1.00 54.13 H new ATOM 0 HZ1 LYS A 19 -18.760 -8.555 3.107 1.00 52.13 H new ATOM 0 HZ2 LYS A 19 -17.763 -7.517 2.206 1.00 52.13 H new ATOM 0 HZ3 LYS A 19 -17.408 -9.175 2.288 1.00 52.13 H new ATOM 282 N PHE A 20 -10.363 -5.688 4.504 1.00 42.24 N ATOM 283 CA PHE A 20 -8.938 -5.978 4.341 1.00 40.50 C ATOM 284 C PHE A 20 -8.253 -5.615 5.665 1.00 71.20 C ATOM 285 O PHE A 20 -7.373 -6.350 6.115 1.00 55.30 O ATOM 286 CB PHE A 20 -8.233 -5.280 3.157 1.00 42.52 C ATOM 287 CG PHE A 20 -7.446 -4.004 3.446 1.00 42.53 C ATOM 288 CD1 PHE A 20 -6.223 -4.119 4.137 1.00 52.12 C ATOM 289 CD2 PHE A 20 -7.850 -2.736 2.996 1.00 52.32 C ATOM 290 CE1 PHE A 20 -5.467 -2.986 4.471 1.00 35.42 C ATOM 291 CE2 PHE A 20 -7.061 -1.602 3.284 1.00 40.53 C ATOM 292 CZ PHE A 20 -5.882 -1.719 4.038 1.00 34.41 C ATOM 0 H PHE A 20 -10.735 -4.944 3.913 1.00 42.24 H new ATOM 0 HA PHE A 20 -8.853 -7.036 4.093 1.00 40.50 H new ATOM 0 HB2 PHE A 20 -7.550 -5.999 2.704 1.00 42.52 H new ATOM 0 HB3 PHE A 20 -8.990 -5.044 2.409 1.00 42.52 H new ATOM 0 HD1 PHE A 20 -5.861 -5.098 4.415 1.00 52.12 H new ATOM 0 HD2 PHE A 20 -8.764 -2.629 2.430 1.00 52.32 H new ATOM 0 HE1 PHE A 20 -4.568 -3.089 5.060 1.00 35.42 H new ATOM 0 HE2 PHE A 20 -7.368 -0.632 2.920 1.00 40.53 H new ATOM 0 HZ PHE A 20 -5.301 -0.842 4.282 1.00 34.41 H new ATOM 302 N THR A 21 -8.660 -4.515 6.313 1.00 74.14 N ATOM 303 CA THR A 21 -8.075 -4.123 7.591 1.00 42.14 C ATOM 304 C THR A 21 -8.455 -5.078 8.741 1.00 12.12 C ATOM 305 O THR A 21 -7.947 -4.939 9.854 1.00 20.32 O ATOM 306 CB THR A 21 -8.409 -2.654 7.878 1.00 1.54 C ATOM 307 OG1 THR A 21 -9.796 -2.376 7.808 1.00 11.14 O ATOM 308 CG2 THR A 21 -7.721 -1.724 6.863 1.00 32.14 C ATOM 0 H THR A 21 -9.388 -3.888 5.971 1.00 74.14 H new ATOM 0 HA THR A 21 -6.991 -4.211 7.520 1.00 42.14 H new ATOM 0 HB THR A 21 -8.053 -2.476 8.893 1.00 1.54 H new ATOM 0 HG1 THR A 21 -10.295 -3.216 7.732 1.00 11.14 H new ATOM 0 HG21 THR A 21 -7.974 -0.688 7.089 1.00 32.14 H new ATOM 0 HG22 THR A 21 -6.641 -1.855 6.924 1.00 32.14 H new ATOM 0 HG23 THR A 21 -8.060 -1.969 5.857 1.00 32.14 H new ATOM 316 N SER A 22 -9.306 -6.075 8.482 1.00 43.40 N ATOM 317 CA SER A 22 -9.613 -7.187 9.357 1.00 53.34 C ATOM 318 C SER A 22 -9.344 -8.470 8.552 1.00 3.41 C ATOM 319 O SER A 22 -10.225 -9.320 8.381 1.00 64.10 O ATOM 320 CB SER A 22 -11.055 -6.991 9.847 1.00 35.25 C ATOM 321 OG SER A 22 -11.368 -7.829 10.940 1.00 32.45 O ATOM 0 H SER A 22 -9.823 -6.121 7.604 1.00 43.40 H new ATOM 0 HA SER A 22 -8.999 -7.255 10.255 1.00 53.34 H new ATOM 0 HB2 SER A 22 -11.200 -5.950 10.137 1.00 35.25 H new ATOM 0 HB3 SER A 22 -11.745 -7.193 9.028 1.00 35.25 H new ATOM 0 HG SER A 22 -12.294 -7.670 11.220 1.00 32.45 H new ATOM 327 N SER A 23 -8.150 -8.574 7.948 1.00 74.13 N ATOM 328 CA SER A 23 -7.701 -9.693 7.139 1.00 2.45 C ATOM 329 C SER A 23 -6.176 -9.664 6.954 1.00 24.45 C ATOM 330 O SER A 23 -5.671 -8.889 6.139 1.00 74.44 O ATOM 331 CB SER A 23 -8.356 -9.577 5.766 1.00 42.54 C ATOM 332 OG SER A 23 -9.715 -9.964 5.799 1.00 33.35 O ATOM 0 H SER A 23 -7.446 -7.840 8.021 1.00 74.13 H new ATOM 0 HA SER A 23 -7.974 -10.623 7.637 1.00 2.45 H new ATOM 0 HB2 SER A 23 -8.279 -8.549 5.412 1.00 42.54 H new ATOM 0 HB3 SER A 23 -7.818 -10.201 5.052 1.00 42.54 H new ATOM 0 HG SER A 23 -10.046 -9.919 6.720 1.00 33.35 H new ATOM 338 N ALA A 24 -5.426 -10.526 7.652 1.00 33.44 N ATOM 339 CA ALA A 24 -4.036 -10.806 7.291 1.00 15.45 C ATOM 340 C ALA A 24 -4.011 -11.751 6.089 1.00 35.42 C ATOM 341 O ALA A 24 -3.750 -11.323 4.965 1.00 62.04 O ATOM 342 CB ALA A 24 -3.241 -11.340 8.491 1.00 61.32 C ATOM 0 H ALA A 24 -5.760 -11.039 8.468 1.00 33.44 H new ATOM 0 HA ALA A 24 -3.539 -9.880 7.001 1.00 15.45 H new ATOM 0 HB1 ALA A 24 -2.213 -11.537 8.188 1.00 61.32 H new ATOM 0 HB2 ALA A 24 -3.247 -10.599 9.290 1.00 61.32 H new ATOM 0 HB3 ALA A 24 -3.697 -12.263 8.848 1.00 61.32 H new ATOM 348 N ALA A 25 -4.331 -13.036 6.276 1.00 54.21 N ATOM 349 CA ALA A 25 -4.333 -14.003 5.180 1.00 40.31 C ATOM 350 C ALA A 25 -5.312 -13.640 4.058 1.00 0.12 C ATOM 351 O ALA A 25 -5.141 -14.110 2.932 1.00 13.04 O ATOM 352 CB ALA A 25 -4.631 -15.407 5.713 1.00 54.20 C ATOM 0 H ALA A 25 -4.592 -13.429 7.180 1.00 54.21 H new ATOM 0 HA ALA A 25 -3.335 -13.981 4.741 1.00 40.31 H new ATOM 0 HB1 ALA A 25 -4.630 -16.118 4.887 1.00 54.20 H new ATOM 0 HB2 ALA A 25 -3.867 -15.691 6.437 1.00 54.20 H new ATOM 0 HB3 ALA A 25 -5.609 -15.413 6.195 1.00 54.20 H new ATOM 358 N PHE A 26 -6.322 -12.809 4.317 1.00 4.14 N ATOM 359 CA PHE A 26 -7.282 -12.399 3.294 1.00 73.42 C ATOM 360 C PHE A 26 -6.838 -11.137 2.533 1.00 20.11 C ATOM 361 O PHE A 26 -7.457 -10.795 1.523 1.00 63.32 O ATOM 362 CB PHE A 26 -8.688 -12.243 3.889 1.00 71.20 C ATOM 363 CG PHE A 26 -9.680 -13.306 3.469 1.00 63.31 C ATOM 364 CD1 PHE A 26 -9.753 -14.526 4.166 1.00 52.24 C ATOM 365 CD2 PHE A 26 -10.571 -13.050 2.409 1.00 31.35 C ATOM 366 CE1 PHE A 26 -10.734 -15.472 3.821 1.00 34.02 C ATOM 367 CE2 PHE A 26 -11.551 -13.996 2.068 1.00 23.14 C ATOM 368 CZ PHE A 26 -11.637 -15.206 2.777 1.00 24.31 C ATOM 0 H PHE A 26 -6.496 -12.404 5.237 1.00 4.14 H new ATOM 0 HA PHE A 26 -7.318 -13.199 2.554 1.00 73.42 H new ATOM 0 HB2 PHE A 26 -8.609 -12.250 4.976 1.00 71.20 H new ATOM 0 HB3 PHE A 26 -9.081 -11.267 3.604 1.00 71.20 H new ATOM 0 HD1 PHE A 26 -9.057 -14.735 4.965 1.00 52.24 H new ATOM 0 HD2 PHE A 26 -10.500 -12.124 1.857 1.00 31.35 H new ATOM 0 HE1 PHE A 26 -10.794 -16.406 4.360 1.00 34.02 H new ATOM 0 HE2 PHE A 26 -12.239 -13.793 1.260 1.00 23.14 H new ATOM 0 HZ PHE A 26 -12.396 -15.931 2.520 1.00 24.31 H new ATOM 378 N GLN A 27 -5.778 -10.438 2.960 1.00 13.41 N ATOM 379 CA GLN A 27 -5.253 -9.272 2.243 1.00 44.22 C ATOM 380 C GLN A 27 -4.834 -9.711 0.825 1.00 75.40 C ATOM 381 O GLN A 27 -5.306 -9.172 -0.179 1.00 43.12 O ATOM 382 CB GLN A 27 -4.104 -8.627 3.057 1.00 33.53 C ATOM 383 CG GLN A 27 -4.320 -7.116 3.184 1.00 61.12 C ATOM 384 CD GLN A 27 -3.436 -6.450 4.239 1.00 74.02 C ATOM 385 OE1 GLN A 27 -2.425 -5.850 3.895 1.00 71.13 O ATOM 386 NE2 GLN A 27 -3.809 -6.500 5.508 1.00 13.23 N ATOM 0 H GLN A 27 -5.262 -10.665 3.810 1.00 13.41 H new ATOM 0 HA GLN A 27 -6.015 -8.501 2.132 1.00 44.22 H new ATOM 0 HB2 GLN A 27 -4.055 -9.078 4.048 1.00 33.53 H new ATOM 0 HB3 GLN A 27 -3.149 -8.824 2.569 1.00 33.53 H new ATOM 0 HG2 GLN A 27 -4.130 -6.649 2.218 1.00 61.12 H new ATOM 0 HG3 GLN A 27 -5.365 -6.928 3.429 1.00 61.12 H new ATOM 0 HE21 GLN A 27 -4.655 -7.006 5.771 1.00 13.23 H new ATOM 0 HE22 GLN A 27 -3.251 -6.033 6.222 1.00 13.23 H new ATOM 395 N TYR A 28 -4.048 -10.790 0.751 1.00 63.33 N ATOM 396 CA TYR A 28 -3.425 -11.366 -0.443 1.00 55.23 C ATOM 397 C TYR A 28 -4.372 -11.713 -1.601 1.00 40.10 C ATOM 398 O TYR A 28 -3.911 -11.849 -2.735 1.00 23.33 O ATOM 399 CB TYR A 28 -2.731 -12.672 -0.032 1.00 63.34 C ATOM 400 CG TYR A 28 -1.590 -12.520 0.951 1.00 35.45 C ATOM 401 CD1 TYR A 28 -1.821 -12.562 2.341 1.00 14.42 C ATOM 402 CD2 TYR A 28 -0.284 -12.357 0.460 1.00 11.31 C ATOM 403 CE1 TYR A 28 -0.735 -12.435 3.232 1.00 74.10 C ATOM 404 CE2 TYR A 28 0.802 -12.260 1.340 1.00 4.41 C ATOM 405 CZ TYR A 28 0.584 -12.287 2.734 1.00 14.34 C ATOM 406 OH TYR A 28 1.646 -12.173 3.579 1.00 24.34 O ATOM 0 H TYR A 28 -3.814 -11.323 1.588 1.00 63.33 H new ATOM 0 HA TYR A 28 -2.756 -10.591 -0.816 1.00 55.23 H new ATOM 0 HB2 TYR A 28 -3.476 -13.338 0.403 1.00 63.34 H new ATOM 0 HB3 TYR A 28 -2.352 -13.160 -0.930 1.00 63.34 H new ATOM 0 HD1 TYR A 28 -2.824 -12.691 2.721 1.00 14.42 H new ATOM 0 HD2 TYR A 28 -0.115 -12.306 -0.606 1.00 11.31 H new ATOM 0 HE1 TYR A 28 -0.909 -12.451 4.298 1.00 74.10 H new ATOM 0 HE2 TYR A 28 1.805 -12.165 0.952 1.00 4.41 H new ATOM 0 HH TYR A 28 2.471 -12.081 3.057 1.00 24.34 H new ATOM 416 N THR A 29 -5.668 -11.910 -1.345 1.00 31.54 N ATOM 417 CA THR A 29 -6.569 -12.634 -2.246 1.00 53.14 C ATOM 418 C THR A 29 -7.639 -11.712 -2.860 1.00 4.23 C ATOM 419 O THR A 29 -8.715 -12.158 -3.275 1.00 71.13 O ATOM 420 CB THR A 29 -7.060 -13.908 -1.528 1.00 60.22 C ATOM 421 OG1 THR A 29 -7.728 -14.784 -2.416 1.00 40.22 O ATOM 422 CG2 THR A 29 -7.904 -13.648 -0.284 1.00 11.14 C ATOM 0 H THR A 29 -6.125 -11.569 -0.500 1.00 31.54 H new ATOM 0 HA THR A 29 -6.048 -12.983 -3.138 1.00 53.14 H new ATOM 0 HB THR A 29 -6.151 -14.393 -1.171 1.00 60.22 H new ATOM 0 HG1 THR A 29 -8.194 -14.262 -3.102 1.00 40.22 H new ATOM 0 HG21 THR A 29 -8.206 -14.598 0.156 1.00 11.14 H new ATOM 0 HG22 THR A 29 -7.319 -13.082 0.441 1.00 11.14 H new ATOM 0 HG23 THR A 29 -8.791 -13.078 -0.559 1.00 11.14 H new ATOM 430 N ARG A 30 -7.338 -10.414 -2.933 1.00 20.54 N ATOM 431 CA ARG A 30 -8.079 -9.376 -3.648 1.00 32.32 C ATOM 432 C ARG A 30 -7.043 -8.446 -4.276 1.00 75.22 C ATOM 433 O ARG A 30 -6.967 -7.274 -3.932 1.00 14.41 O ATOM 434 CB ARG A 30 -9.092 -8.687 -2.704 1.00 14.33 C ATOM 435 CG ARG A 30 -8.538 -8.321 -1.312 1.00 21.53 C ATOM 436 CD ARG A 30 -9.509 -7.449 -0.510 1.00 0.35 C ATOM 437 NE ARG A 30 -10.732 -8.146 -0.060 1.00 4.25 N ATOM 438 CZ ARG A 30 -10.890 -8.787 1.109 1.00 4.45 C ATOM 439 NH1 ARG A 30 -9.849 -9.168 1.845 1.00 34.52 N ATOM 440 NH2 ARG A 30 -12.093 -9.065 1.585 1.00 11.13 N ATOM 0 H ARG A 30 -6.515 -10.036 -2.463 1.00 20.54 H new ATOM 0 HA ARG A 30 -8.697 -9.778 -4.451 1.00 32.32 H new ATOM 0 HB2 ARG A 30 -9.455 -7.779 -3.185 1.00 14.33 H new ATOM 0 HB3 ARG A 30 -9.952 -9.345 -2.575 1.00 14.33 H new ATOM 0 HG2 ARG A 30 -8.329 -9.234 -0.755 1.00 21.53 H new ATOM 0 HG3 ARG A 30 -7.591 -7.794 -1.428 1.00 21.53 H new ATOM 0 HD2 ARG A 30 -8.988 -7.056 0.363 1.00 0.35 H new ATOM 0 HD3 ARG A 30 -9.798 -6.593 -1.120 1.00 0.35 H new ATOM 0 HE ARG A 30 -11.529 -8.139 -0.696 1.00 4.25 H new ATOM 0 HH11 ARG A 30 -8.900 -8.975 1.525 1.00 34.52 H new ATOM 0 HH12 ARG A 30 -10.000 -9.653 2.729 1.00 34.52 H new ATOM 0 HH21 ARG A 30 -12.924 -8.791 1.061 1.00 11.13 H new ATOM 0 HH22 ARG A 30 -12.189 -9.553 2.476 1.00 11.13 H new ATOM 454 N VAL A 31 -6.191 -8.987 -5.151 1.00 55.20 N ATOM 455 CA VAL A 31 -5.035 -8.288 -5.714 1.00 33.55 C ATOM 456 C VAL A 31 -4.919 -8.648 -7.201 1.00 42.43 C ATOM 457 O VAL A 31 -5.006 -9.824 -7.573 1.00 40.11 O ATOM 458 CB VAL A 31 -3.750 -8.630 -4.923 1.00 31.34 C ATOM 459 CG1 VAL A 31 -2.607 -7.682 -5.302 1.00 61.14 C ATOM 460 CG2 VAL A 31 -3.917 -8.555 -3.394 1.00 11.21 C ATOM 0 H VAL A 31 -6.288 -9.943 -5.494 1.00 55.20 H new ATOM 0 HA VAL A 31 -5.169 -7.210 -5.629 1.00 33.55 H new ATOM 0 HB VAL A 31 -3.526 -9.661 -5.195 1.00 31.34 H new ATOM 0 HG11 VAL A 31 -1.715 -7.942 -4.733 1.00 61.14 H new ATOM 0 HG12 VAL A 31 -2.397 -7.773 -6.368 1.00 61.14 H new ATOM 0 HG13 VAL A 31 -2.895 -6.656 -5.075 1.00 61.14 H new ATOM 0 HG21 VAL A 31 -2.973 -8.808 -2.912 1.00 11.21 H new ATOM 0 HG22 VAL A 31 -4.210 -7.545 -3.109 1.00 11.21 H new ATOM 0 HG23 VAL A 31 -4.686 -9.259 -3.077 1.00 11.21 H new ATOM 470 N LYS A 32 -4.803 -7.625 -8.052 1.00 11.34 N ATOM 471 CA LYS A 32 -4.548 -7.683 -9.497 1.00 52.32 C ATOM 472 C LYS A 32 -3.045 -7.857 -9.711 1.00 53.33 C ATOM 473 O LYS A 32 -2.273 -7.726 -8.763 1.00 41.41 O ATOM 474 CB LYS A 32 -4.988 -6.345 -10.127 1.00 3.35 C ATOM 475 CG LYS A 32 -6.348 -6.321 -10.842 1.00 4.25 C ATOM 476 CD LYS A 32 -6.307 -6.927 -12.251 1.00 22.12 C ATOM 477 CE LYS A 32 -7.536 -6.453 -13.035 1.00 55.31 C ATOM 478 NZ LYS A 32 -7.584 -6.984 -14.411 1.00 33.53 N ATOM 0 H LYS A 32 -4.891 -6.662 -7.726 1.00 11.34 H new ATOM 0 HA LYS A 32 -5.095 -8.509 -9.951 1.00 52.32 H new ATOM 0 HB2 LYS A 32 -5.006 -5.591 -9.340 1.00 3.35 H new ATOM 0 HB3 LYS A 32 -4.224 -6.041 -10.843 1.00 3.35 H new ATOM 0 HG2 LYS A 32 -7.076 -6.866 -10.241 1.00 4.25 H new ATOM 0 HG3 LYS A 32 -6.697 -5.291 -10.908 1.00 4.25 H new ATOM 0 HD2 LYS A 32 -5.394 -6.625 -12.764 1.00 22.12 H new ATOM 0 HD3 LYS A 32 -6.295 -8.015 -12.192 1.00 22.12 H new ATOM 0 HE2 LYS A 32 -8.438 -6.756 -12.503 1.00 55.31 H new ATOM 0 HE3 LYS A 32 -7.538 -5.364 -13.072 1.00 55.31 H new ATOM 0 HZ1 LYS A 32 -8.436 -6.629 -14.890 1.00 33.53 H new ATOM 0 HZ2 LYS A 32 -6.739 -6.674 -14.932 1.00 33.53 H new ATOM 0 HZ3 LYS A 32 -7.611 -8.023 -14.381 1.00 33.53 H new ATOM 492 N PHE A 33 -2.604 -8.109 -10.943 1.00 33.24 N ATOM 493 CA PHE A 33 -1.183 -8.166 -11.245 1.00 23.12 C ATOM 494 C PHE A 33 -0.978 -7.902 -12.744 1.00 35.45 C ATOM 495 O PHE A 33 -1.812 -8.372 -13.526 1.00 0.41 O ATOM 496 CB PHE A 33 -0.662 -9.551 -10.816 1.00 63.54 C ATOM 497 CG PHE A 33 0.685 -9.561 -10.124 1.00 34.43 C ATOM 498 CD1 PHE A 33 0.994 -8.647 -9.092 1.00 74.41 C ATOM 499 CD2 PHE A 33 1.615 -10.554 -10.471 1.00 75.24 C ATOM 500 CE1 PHE A 33 2.234 -8.724 -8.438 1.00 15.11 C ATOM 501 CE2 PHE A 33 2.862 -10.614 -9.834 1.00 15.43 C ATOM 502 CZ PHE A 33 3.173 -9.699 -8.817 1.00 54.04 C ATOM 0 H PHE A 33 -3.213 -8.276 -11.744 1.00 33.24 H new ATOM 0 HA PHE A 33 -0.623 -7.404 -10.703 1.00 23.12 H new ATOM 0 HB2 PHE A 33 -1.396 -10.004 -10.149 1.00 63.54 H new ATOM 0 HB3 PHE A 33 -0.600 -10.185 -11.700 1.00 63.54 H new ATOM 0 HD1 PHE A 33 0.278 -7.891 -8.807 1.00 74.41 H new ATOM 0 HD2 PHE A 33 1.368 -11.277 -11.234 1.00 75.24 H new ATOM 0 HE1 PHE A 33 2.467 -8.032 -7.642 1.00 15.11 H new ATOM 0 HE2 PHE A 33 3.583 -11.364 -10.126 1.00 15.43 H new ATOM 0 HZ PHE A 33 4.134 -9.744 -8.325 1.00 54.04 H new ATOM 512 N PRO A 34 0.096 -7.211 -13.178 1.00 54.04 N ATOM 513 CA PRO A 34 1.148 -6.621 -12.353 1.00 35.53 C ATOM 514 C PRO A 34 0.640 -5.358 -11.646 1.00 2.04 C ATOM 515 O PRO A 34 -0.434 -4.847 -11.983 1.00 3.13 O ATOM 516 CB PRO A 34 2.274 -6.291 -13.335 1.00 41.02 C ATOM 517 CG PRO A 34 1.518 -5.920 -14.607 1.00 51.21 C ATOM 518 CD PRO A 34 0.313 -6.859 -14.578 1.00 35.12 C ATOM 0 HA PRO A 34 1.482 -7.294 -11.563 1.00 35.53 H new ATOM 0 HB2 PRO A 34 2.893 -5.468 -12.978 1.00 41.02 H new ATOM 0 HB3 PRO A 34 2.936 -7.143 -13.492 1.00 41.02 H new ATOM 0 HG2 PRO A 34 1.214 -4.873 -14.605 1.00 51.21 H new ATOM 0 HG3 PRO A 34 2.127 -6.073 -15.498 1.00 51.21 H new ATOM 0 HD2 PRO A 34 -0.568 -6.373 -14.997 1.00 35.12 H new ATOM 0 HD3 PRO A 34 0.501 -7.750 -15.177 1.00 35.12 H new ATOM 526 N LEU A 35 1.400 -4.872 -10.661 1.00 33.33 N ATOM 527 CA LEU A 35 1.065 -3.650 -9.936 1.00 55.21 C ATOM 528 C LEU A 35 1.530 -2.411 -10.714 1.00 61.54 C ATOM 529 O LEU A 35 2.045 -2.541 -11.831 1.00 34.22 O ATOM 530 CB LEU A 35 1.649 -3.731 -8.517 1.00 11.35 C ATOM 531 CG LEU A 35 1.082 -4.883 -7.672 1.00 33.31 C ATOM 532 CD1 LEU A 35 1.761 -4.908 -6.316 1.00 60.14 C ATOM 533 CD2 LEU A 35 -0.430 -4.922 -7.459 1.00 64.10 C ATOM 0 H LEU A 35 2.263 -5.316 -10.346 1.00 33.33 H new ATOM 0 HA LEU A 35 -0.016 -3.552 -9.841 1.00 55.21 H new ATOM 0 HB2 LEU A 35 2.731 -3.843 -8.586 1.00 11.35 H new ATOM 0 HB3 LEU A 35 1.459 -2.789 -8.003 1.00 11.35 H new ATOM 0 HG LEU A 35 1.298 -5.765 -8.275 1.00 33.31 H new ATOM 0 HD11 LEU A 35 1.355 -5.726 -5.721 1.00 60.14 H new ATOM 0 HD12 LEU A 35 2.833 -5.052 -6.449 1.00 60.14 H new ATOM 0 HD13 LEU A 35 1.583 -3.963 -5.802 1.00 60.14 H new ATOM 0 HD21 LEU A 35 -0.689 -5.785 -6.846 1.00 64.10 H new ATOM 0 HD22 LEU A 35 -0.750 -4.010 -6.955 1.00 64.10 H new ATOM 0 HD23 LEU A 35 -0.931 -4.998 -8.424 1.00 64.10 H new ATOM 545 N LYS A 36 1.294 -1.218 -10.160 1.00 31.42 N ATOM 546 CA LYS A 36 1.613 0.055 -10.833 1.00 13.22 C ATOM 547 C LYS A 36 3.014 0.516 -10.486 1.00 43.01 C ATOM 548 O LYS A 36 3.851 0.699 -11.374 1.00 70.12 O ATOM 549 CB LYS A 36 0.634 1.193 -10.467 1.00 70.40 C ATOM 550 CG LYS A 36 -0.833 0.813 -10.563 1.00 25.41 C ATOM 551 CD LYS A 36 -1.241 0.327 -11.958 1.00 11.04 C ATOM 552 CE LYS A 36 -2.704 -0.105 -11.932 1.00 22.21 C ATOM 553 NZ LYS A 36 -3.130 -0.655 -13.233 1.00 1.21 N ATOM 0 H LYS A 36 0.878 -1.102 -9.236 1.00 31.42 H new ATOM 0 HA LYS A 36 1.527 -0.151 -11.900 1.00 13.22 H new ATOM 0 HB2 LYS A 36 0.845 1.525 -9.450 1.00 70.40 H new ATOM 0 HB3 LYS A 36 0.821 2.042 -11.125 1.00 70.40 H new ATOM 0 HG2 LYS A 36 -1.047 0.030 -9.836 1.00 25.41 H new ATOM 0 HG3 LYS A 36 -1.443 1.675 -10.293 1.00 25.41 H new ATOM 0 HD2 LYS A 36 -1.097 1.122 -12.689 1.00 11.04 H new ATOM 0 HD3 LYS A 36 -0.609 -0.506 -12.265 1.00 11.04 H new ATOM 0 HE2 LYS A 36 -2.849 -0.855 -11.154 1.00 22.21 H new ATOM 0 HE3 LYS A 36 -3.332 0.748 -11.674 1.00 22.21 H new ATOM 0 HZ1 LYS A 36 -4.129 -0.939 -13.180 1.00 1.21 H new ATOM 0 HZ2 LYS A 36 -3.014 0.069 -13.971 1.00 1.21 H new ATOM 0 HZ3 LYS A 36 -2.547 -1.484 -13.467 1.00 1.21 H new ATOM 567 N THR A 37 3.207 0.777 -9.204 1.00 2.22 N ATOM 568 CA THR A 37 4.289 1.542 -8.617 1.00 1.44 C ATOM 569 C THR A 37 5.329 0.538 -8.108 1.00 3.31 C ATOM 570 O THR A 37 5.152 -0.014 -7.018 1.00 54.44 O ATOM 571 CB THR A 37 3.743 2.475 -7.518 1.00 30.11 C ATOM 572 OG1 THR A 37 2.519 3.091 -7.887 1.00 12.32 O ATOM 573 CG2 THR A 37 4.754 3.578 -7.218 1.00 63.20 C ATOM 0 H THR A 37 2.561 0.432 -8.494 1.00 2.22 H new ATOM 0 HA THR A 37 4.768 2.198 -9.344 1.00 1.44 H new ATOM 0 HB THR A 37 3.569 1.852 -6.641 1.00 30.11 H new ATOM 0 HG1 THR A 37 1.904 3.080 -7.124 1.00 12.32 H new ATOM 0 HG21 THR A 37 4.359 4.232 -6.440 1.00 63.20 H new ATOM 0 HG22 THR A 37 5.688 3.132 -6.877 1.00 63.20 H new ATOM 0 HG23 THR A 37 4.938 4.159 -8.122 1.00 63.20 H new ATOM 581 N PRO A 38 6.295 0.092 -8.931 1.00 52.23 N ATOM 582 CA PRO A 38 7.195 -0.981 -8.552 1.00 24.55 C ATOM 583 C PRO A 38 8.042 -0.564 -7.351 1.00 50.00 C ATOM 584 O PRO A 38 8.159 0.611 -7.004 1.00 21.22 O ATOM 585 CB PRO A 38 8.062 -1.226 -9.790 1.00 33.42 C ATOM 586 CG PRO A 38 8.210 0.190 -10.333 1.00 33.33 C ATOM 587 CD PRO A 38 6.821 0.773 -10.100 1.00 53.33 C ATOM 0 HA PRO A 38 6.665 -1.885 -8.251 1.00 24.55 H new ATOM 0 HB2 PRO A 38 9.024 -1.672 -9.537 1.00 33.42 H new ATOM 0 HB3 PRO A 38 7.580 -1.893 -10.505 1.00 33.42 H new ATOM 0 HG2 PRO A 38 8.980 0.750 -9.803 1.00 33.33 H new ATOM 0 HG3 PRO A 38 8.481 0.195 -11.389 1.00 33.33 H new ATOM 0 HD2 PRO A 38 6.872 1.849 -9.935 1.00 53.33 H new ATOM 0 HD3 PRO A 38 6.180 0.613 -10.967 1.00 53.33 H new ATOM 595 N ILE A 39 8.722 -1.545 -6.769 1.00 3.15 N ATOM 596 CA ILE A 39 9.875 -1.258 -5.936 1.00 32.44 C ATOM 597 C ILE A 39 10.866 -0.567 -6.864 1.00 63.41 C ATOM 598 O ILE A 39 11.160 -1.110 -7.932 1.00 63.34 O ATOM 599 CB ILE A 39 10.453 -2.573 -5.385 1.00 35.24 C ATOM 600 CG1 ILE A 39 9.406 -3.339 -4.544 1.00 61.52 C ATOM 601 CG2 ILE A 39 11.743 -2.327 -4.579 1.00 40.23 C ATOM 602 CD1 ILE A 39 9.407 -4.827 -4.895 1.00 62.43 C ATOM 0 H ILE A 39 8.495 -2.535 -6.859 1.00 3.15 H new ATOM 0 HA ILE A 39 9.634 -0.634 -5.076 1.00 32.44 H new ATOM 0 HB ILE A 39 10.713 -3.198 -6.239 1.00 35.24 H new ATOM 0 HG12 ILE A 39 9.622 -3.211 -3.483 1.00 61.52 H new ATOM 0 HG13 ILE A 39 8.415 -2.920 -4.720 1.00 61.52 H new ATOM 0 HG21 ILE A 39 12.125 -3.277 -4.204 1.00 40.23 H new ATOM 0 HG22 ILE A 39 12.491 -1.864 -5.222 1.00 40.23 H new ATOM 0 HG23 ILE A 39 11.527 -1.666 -3.739 1.00 40.23 H new ATOM 0 HD11 ILE A 39 8.662 -5.344 -4.290 1.00 62.43 H new ATOM 0 HD12 ILE A 39 9.167 -4.952 -5.951 1.00 62.43 H new ATOM 0 HD13 ILE A 39 10.392 -5.247 -4.695 1.00 62.43 H new ATOM 614 N THR A 40 11.386 0.580 -6.452 1.00 53.04 N ATOM 615 CA THR A 40 12.619 1.129 -6.974 1.00 2.02 C ATOM 616 C THR A 40 13.539 1.231 -5.762 1.00 14.45 C ATOM 617 O THR A 40 13.088 1.576 -4.669 1.00 31.44 O ATOM 618 CB THR A 40 12.374 2.484 -7.653 1.00 44.22 C ATOM 619 OG1 THR A 40 11.497 2.317 -8.755 1.00 10.44 O ATOM 620 CG2 THR A 40 13.687 3.096 -8.155 1.00 23.22 C ATOM 0 H THR A 40 10.953 1.161 -5.734 1.00 53.04 H new ATOM 0 HA THR A 40 13.064 0.508 -7.751 1.00 2.02 H new ATOM 0 HB THR A 40 11.931 3.153 -6.916 1.00 44.22 H new ATOM 0 HG1 THR A 40 11.342 3.184 -9.184 1.00 10.44 H new ATOM 0 HG21 THR A 40 13.483 4.055 -8.631 1.00 23.22 H new ATOM 0 HG22 THR A 40 14.364 3.246 -7.314 1.00 23.22 H new ATOM 0 HG23 THR A 40 14.149 2.423 -8.877 1.00 23.22 H new ATOM 628 N LEU A 41 14.812 0.909 -5.952 1.00 70.14 N ATOM 629 CA LEU A 41 15.883 1.170 -5.006 1.00 51.33 C ATOM 630 C LEU A 41 17.083 1.680 -5.795 1.00 3.41 C ATOM 631 O LEU A 41 17.084 1.641 -7.031 1.00 64.12 O ATOM 632 CB LEU A 41 16.180 -0.064 -4.138 1.00 75.44 C ATOM 633 CG LEU A 41 16.377 -1.420 -4.843 1.00 23.35 C ATOM 634 CD1 LEU A 41 17.551 -1.442 -5.822 1.00 61.42 C ATOM 635 CD2 LEU A 41 16.604 -2.486 -3.764 1.00 31.13 C ATOM 0 H LEU A 41 15.136 0.443 -6.799 1.00 70.14 H new ATOM 0 HA LEU A 41 15.594 1.938 -4.289 1.00 51.33 H new ATOM 0 HB2 LEU A 41 17.080 0.145 -3.560 1.00 75.44 H new ATOM 0 HB3 LEU A 41 15.362 -0.175 -3.426 1.00 75.44 H new ATOM 0 HG LEU A 41 15.482 -1.614 -5.434 1.00 23.35 H new ATOM 0 HD11 LEU A 41 17.626 -2.429 -6.278 1.00 61.42 H new ATOM 0 HD12 LEU A 41 17.391 -0.694 -6.599 1.00 61.42 H new ATOM 0 HD13 LEU A 41 18.474 -1.218 -5.288 1.00 61.42 H new ATOM 0 HD21 LEU A 41 16.747 -3.458 -4.237 1.00 31.13 H new ATOM 0 HD22 LEU A 41 17.490 -2.232 -3.182 1.00 31.13 H new ATOM 0 HD23 LEU A 41 15.737 -2.527 -3.105 1.00 31.13 H new ATOM 647 N LEU A 42 18.098 2.156 -5.080 1.00 32.41 N ATOM 648 CA LEU A 42 19.345 2.587 -5.687 1.00 45.42 C ATOM 649 C LEU A 42 20.258 1.380 -5.845 1.00 70.43 C ATOM 650 O LEU A 42 20.460 0.619 -4.895 1.00 30.21 O ATOM 651 CB LEU A 42 20.012 3.690 -4.841 1.00 13.02 C ATOM 652 CG LEU A 42 19.899 5.099 -5.453 1.00 72.10 C ATOM 653 CD1 LEU A 42 20.666 5.188 -6.778 1.00 13.23 C ATOM 654 CD2 LEU A 42 18.439 5.537 -5.632 1.00 33.44 C ATOM 0 H LEU A 42 18.076 2.252 -4.065 1.00 32.41 H new ATOM 0 HA LEU A 42 19.147 3.014 -6.670 1.00 45.42 H new ATOM 0 HB2 LEU A 42 19.559 3.698 -3.849 1.00 13.02 H new ATOM 0 HB3 LEU A 42 21.066 3.445 -4.708 1.00 13.02 H new ATOM 0 HG LEU A 42 20.357 5.791 -4.746 1.00 72.10 H new ATOM 0 HD11 LEU A 42 20.569 6.193 -7.188 1.00 13.23 H new ATOM 0 HD12 LEU A 42 21.719 4.967 -6.604 1.00 13.23 H new ATOM 0 HD13 LEU A 42 20.256 4.467 -7.485 1.00 13.23 H new ATOM 0 HD21 LEU A 42 18.410 6.536 -6.066 1.00 33.44 H new ATOM 0 HD22 LEU A 42 17.928 4.838 -6.294 1.00 33.44 H new ATOM 0 HD23 LEU A 42 17.941 5.548 -4.662 1.00 33.44 H new ATOM 666 N ALA A 43 20.826 1.222 -7.040 1.00 10.32 N ATOM 667 CA ALA A 43 21.846 0.238 -7.356 1.00 65.23 C ATOM 668 C ALA A 43 23.065 0.405 -6.451 1.00 41.04 C ATOM 669 O ALA A 43 23.215 1.409 -5.751 1.00 13.15 O ATOM 670 CB ALA A 43 22.275 0.401 -8.816 1.00 24.33 C ATOM 0 H ALA A 43 20.575 1.801 -7.841 1.00 10.32 H new ATOM 0 HA ALA A 43 21.428 -0.756 -7.196 1.00 65.23 H new ATOM 0 HB1 ALA A 43 23.041 -0.337 -9.055 1.00 24.33 H new ATOM 0 HB2 ALA A 43 21.413 0.254 -9.467 1.00 24.33 H new ATOM 0 HB3 ALA A 43 22.677 1.403 -8.967 1.00 24.33 H new ATOM 676 N ASP A 44 23.980 -0.559 -6.527 1.00 73.11 N ATOM 677 CA ASP A 44 25.198 -0.564 -5.720 1.00 72.44 C ATOM 678 C ASP A 44 26.099 0.626 -6.054 1.00 21.13 C ATOM 679 O ASP A 44 26.848 1.076 -5.194 1.00 62.20 O ATOM 680 CB ASP A 44 25.947 -1.879 -5.942 1.00 41.20 C ATOM 681 CG ASP A 44 26.995 -2.121 -4.860 1.00 52.43 C ATOM 682 OD1 ASP A 44 26.601 -2.515 -3.737 1.00 12.25 O ATOM 683 OD2 ASP A 44 28.210 -2.060 -5.150 1.00 73.33 O ATOM 0 H ASP A 44 23.897 -1.361 -7.152 1.00 73.11 H new ATOM 0 HA ASP A 44 24.917 -0.474 -4.671 1.00 72.44 H new ATOM 0 HB2 ASP A 44 25.236 -2.705 -5.952 1.00 41.20 H new ATOM 0 HB3 ASP A 44 26.430 -1.862 -6.919 1.00 41.20 H new ATOM 688 N ASP A 45 25.979 1.147 -7.279 1.00 30.53 N ATOM 689 CA ASP A 45 26.693 2.297 -7.835 1.00 4.11 C ATOM 690 C ASP A 45 26.253 3.622 -7.203 1.00 25.34 C ATOM 691 O ASP A 45 26.974 4.614 -7.274 1.00 25.22 O ATOM 692 CB ASP A 45 26.473 2.403 -9.341 1.00 52.32 C ATOM 693 CG ASP A 45 26.481 1.078 -10.098 1.00 62.40 C ATOM 694 OD1 ASP A 45 25.500 0.313 -9.952 1.00 32.42 O ATOM 695 OD2 ASP A 45 27.439 0.797 -10.850 1.00 41.10 O ATOM 0 H ASP A 45 25.332 0.745 -7.957 1.00 30.53 H new ATOM 0 HA ASP A 45 27.746 2.127 -7.612 1.00 4.11 H new ATOM 0 HB2 ASP A 45 25.518 2.897 -9.518 1.00 52.32 H new ATOM 0 HB3 ASP A 45 27.247 3.046 -9.760 1.00 52.32 H new ATOM 700 N GLY A 46 25.051 3.664 -6.623 1.00 24.55 N ATOM 701 CA GLY A 46 24.498 4.833 -5.956 1.00 22.43 C ATOM 702 C GLY A 46 23.969 5.926 -6.876 1.00 13.43 C ATOM 703 O GLY A 46 23.330 6.840 -6.361 1.00 51.12 O ATOM 0 H GLY A 46 24.423 2.861 -6.607 1.00 24.55 H new ATOM 0 HA2 GLY A 46 23.687 4.508 -5.304 1.00 22.43 H new ATOM 0 HA3 GLY A 46 25.269 5.263 -5.316 1.00 22.43 H new ATOM 707 N GLU A 47 24.107 5.826 -8.201 1.00 53.14 N ATOM 708 CA GLU A 47 23.384 6.642 -9.154 1.00 22.51 C ATOM 709 C GLU A 47 22.897 5.756 -10.298 1.00 11.35 C ATOM 710 O GLU A 47 23.287 5.909 -11.452 1.00 5.05 O ATOM 711 CB GLU A 47 24.179 7.862 -9.608 1.00 11.44 C ATOM 712 CG GLU A 47 25.596 7.621 -10.128 1.00 65.15 C ATOM 713 CD GLU A 47 26.245 8.909 -10.665 1.00 31.40 C ATOM 714 OE1 GLU A 47 25.555 9.951 -10.811 1.00 45.44 O ATOM 715 OE2 GLU A 47 27.469 8.921 -10.905 1.00 73.34 O ATOM 0 H GLU A 47 24.740 5.158 -8.641 1.00 53.14 H new ATOM 0 HA GLU A 47 22.508 7.072 -8.668 1.00 22.51 H new ATOM 0 HB2 GLU A 47 23.612 8.361 -10.394 1.00 11.44 H new ATOM 0 HB3 GLU A 47 24.241 8.556 -8.769 1.00 11.44 H new ATOM 0 HG2 GLU A 47 26.211 7.213 -9.326 1.00 65.15 H new ATOM 0 HG3 GLU A 47 25.568 6.873 -10.920 1.00 65.15 H new ATOM 722 N THR A 48 22.067 4.771 -9.978 1.00 41.24 N ATOM 723 CA THR A 48 21.254 4.039 -10.940 1.00 45.13 C ATOM 724 C THR A 48 20.013 3.551 -10.205 1.00 33.25 C ATOM 725 O THR A 48 20.111 2.735 -9.290 1.00 73.40 O ATOM 726 CB THR A 48 22.080 2.938 -11.630 1.00 5.12 C ATOM 727 OG1 THR A 48 22.927 3.548 -12.580 1.00 64.44 O ATOM 728 CG2 THR A 48 21.239 1.882 -12.342 1.00 53.34 C ATOM 0 H THR A 48 21.938 4.451 -9.018 1.00 41.24 H new ATOM 0 HA THR A 48 20.923 4.671 -11.764 1.00 45.13 H new ATOM 0 HB THR A 48 22.633 2.421 -10.846 1.00 5.12 H new ATOM 0 HG1 THR A 48 22.956 4.514 -12.420 1.00 64.44 H new ATOM 0 HG21 THR A 48 21.896 1.143 -12.802 1.00 53.34 H new ATOM 0 HG22 THR A 48 20.587 1.389 -11.621 1.00 53.34 H new ATOM 0 HG23 THR A 48 20.633 2.358 -13.113 1.00 53.34 H new ATOM 736 N GLU A 49 18.857 4.119 -10.531 1.00 64.30 N ATOM 737 CA GLU A 49 17.566 3.685 -10.017 1.00 23.54 C ATOM 738 C GLU A 49 17.231 2.360 -10.702 1.00 30.54 C ATOM 739 O GLU A 49 17.402 2.231 -11.918 1.00 42.10 O ATOM 740 CB GLU A 49 16.503 4.746 -10.327 1.00 11.45 C ATOM 741 CG GLU A 49 16.847 6.121 -9.738 1.00 41.00 C ATOM 742 CD GLU A 49 16.083 7.236 -10.447 1.00 32.53 C ATOM 743 OE1 GLU A 49 16.498 7.661 -11.553 1.00 74.53 O ATOM 744 OE2 GLU A 49 15.039 7.692 -9.932 1.00 34.42 O ATOM 0 H GLU A 49 18.791 4.909 -11.173 1.00 64.30 H new ATOM 0 HA GLU A 49 17.593 3.552 -8.935 1.00 23.54 H new ATOM 0 HB2 GLU A 49 16.390 4.836 -11.407 1.00 11.45 H new ATOM 0 HB3 GLU A 49 15.542 4.417 -9.933 1.00 11.45 H new ATOM 0 HG2 GLU A 49 16.608 6.133 -8.675 1.00 41.00 H new ATOM 0 HG3 GLU A 49 17.919 6.299 -9.826 1.00 41.00 H new ATOM 751 N LYS A 50 16.821 1.346 -9.934 1.00 4.42 N ATOM 752 CA LYS A 50 16.605 -0.005 -10.448 1.00 5.31 C ATOM 753 C LYS A 50 15.285 -0.518 -9.910 1.00 44.14 C ATOM 754 O LYS A 50 15.085 -0.588 -8.695 1.00 23.51 O ATOM 755 CB LYS A 50 17.790 -0.918 -10.082 1.00 10.23 C ATOM 756 CG LYS A 50 19.049 -0.523 -10.875 1.00 51.12 C ATOM 757 CD LYS A 50 19.050 -1.018 -12.331 1.00 50.23 C ATOM 758 CE LYS A 50 20.071 -2.146 -12.524 1.00 34.32 C ATOM 759 NZ LYS A 50 21.455 -1.645 -12.665 1.00 3.05 N ATOM 0 H LYS A 50 16.630 1.442 -8.937 1.00 4.42 H new ATOM 0 HA LYS A 50 16.552 0.003 -11.537 1.00 5.31 H new ATOM 0 HB2 LYS A 50 17.991 -0.849 -9.013 1.00 10.23 H new ATOM 0 HB3 LYS A 50 17.533 -1.956 -10.292 1.00 10.23 H new ATOM 0 HG2 LYS A 50 19.143 0.563 -10.871 1.00 51.12 H new ATOM 0 HG3 LYS A 50 19.927 -0.921 -10.366 1.00 51.12 H new ATOM 0 HD2 LYS A 50 18.055 -1.373 -12.600 1.00 50.23 H new ATOM 0 HD3 LYS A 50 19.285 -0.191 -13.001 1.00 50.23 H new ATOM 0 HE2 LYS A 50 20.020 -2.826 -11.674 1.00 34.32 H new ATOM 0 HE3 LYS A 50 19.806 -2.723 -13.410 1.00 34.32 H new ATOM 0 HZ1 LYS A 50 22.104 -2.448 -12.793 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 21.514 -1.017 -13.492 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 21.722 -1.117 -11.810 1.00 3.05 H new ATOM 773 N THR A 51 14.375 -0.848 -10.821 1.00 11.41 N ATOM 774 CA THR A 51 13.082 -1.417 -10.485 1.00 13.35 C ATOM 775 C THR A 51 13.253 -2.883 -10.075 1.00 22.35 C ATOM 776 O THR A 51 14.158 -3.553 -10.586 1.00 44.44 O ATOM 777 CB THR A 51 12.109 -1.248 -11.667 1.00 4.05 C ATOM 778 OG1 THR A 51 12.757 -1.332 -12.929 1.00 45.44 O ATOM 779 CG2 THR A 51 11.441 0.119 -11.611 1.00 61.34 C ATOM 0 H THR A 51 14.520 -0.725 -11.823 1.00 11.41 H new ATOM 0 HA THR A 51 12.651 -0.888 -9.635 1.00 13.35 H new ATOM 0 HB THR A 51 11.387 -2.059 -11.574 1.00 4.05 H new ATOM 0 HG1 THR A 51 12.096 -1.220 -13.644 1.00 45.44 H new ATOM 0 HG21 THR A 51 10.756 0.224 -12.453 1.00 61.34 H new ATOM 0 HG22 THR A 51 10.886 0.215 -10.678 1.00 61.34 H new ATOM 0 HG23 THR A 51 12.202 0.898 -11.663 1.00 61.34 H new ATOM 787 N PHE A 52 12.392 -3.392 -9.186 1.00 33.53 N ATOM 788 CA PHE A 52 12.519 -4.703 -8.541 1.00 75.10 C ATOM 789 C PHE A 52 11.165 -5.451 -8.510 1.00 32.44 C ATOM 790 O PHE A 52 10.108 -4.812 -8.554 1.00 61.10 O ATOM 791 CB PHE A 52 13.099 -4.504 -7.125 1.00 14.44 C ATOM 792 CG PHE A 52 14.532 -4.971 -6.952 1.00 15.15 C ATOM 793 CD1 PHE A 52 15.592 -4.276 -7.567 1.00 74.12 C ATOM 794 CD2 PHE A 52 14.812 -6.092 -6.147 1.00 42.41 C ATOM 795 CE1 PHE A 52 16.915 -4.727 -7.409 1.00 11.25 C ATOM 796 CE2 PHE A 52 16.133 -6.543 -6.001 1.00 23.55 C ATOM 797 CZ PHE A 52 17.182 -5.870 -6.644 1.00 60.54 C ATOM 0 H PHE A 52 11.559 -2.885 -8.886 1.00 33.53 H new ATOM 0 HA PHE A 52 13.199 -5.329 -9.119 1.00 75.10 H new ATOM 0 HB2 PHE A 52 13.044 -3.446 -6.871 1.00 14.44 H new ATOM 0 HB3 PHE A 52 12.470 -5.037 -6.412 1.00 14.44 H new ATOM 0 HD1 PHE A 52 15.389 -3.397 -8.160 1.00 74.12 H new ATOM 0 HD2 PHE A 52 14.008 -6.606 -5.641 1.00 42.41 H new ATOM 0 HE1 PHE A 52 17.727 -4.191 -7.878 1.00 11.25 H new ATOM 0 HE2 PHE A 52 16.342 -7.410 -5.392 1.00 23.55 H new ATOM 0 HZ PHE A 52 18.195 -6.233 -6.550 1.00 60.54 H new ATOM 807 N PRO A 53 11.166 -6.801 -8.430 1.00 51.31 N ATOM 808 CA PRO A 53 9.991 -7.629 -8.698 1.00 62.22 C ATOM 809 C PRO A 53 9.038 -7.728 -7.503 1.00 20.41 C ATOM 810 O PRO A 53 9.325 -8.393 -6.507 1.00 32.44 O ATOM 811 CB PRO A 53 10.536 -9.004 -9.075 1.00 61.32 C ATOM 812 CG PRO A 53 11.857 -9.096 -8.317 1.00 21.15 C ATOM 813 CD PRO A 53 12.345 -7.649 -8.290 1.00 52.32 C ATOM 0 HA PRO A 53 9.393 -7.186 -9.494 1.00 62.22 H new ATOM 0 HB2 PRO A 53 9.851 -9.799 -8.782 1.00 61.32 H new ATOM 0 HB3 PRO A 53 10.686 -9.093 -10.151 1.00 61.32 H new ATOM 0 HG2 PRO A 53 11.717 -9.493 -7.311 1.00 21.15 H new ATOM 0 HG3 PRO A 53 12.567 -9.751 -8.823 1.00 21.15 H new ATOM 0 HD2 PRO A 53 12.866 -7.435 -7.357 1.00 52.32 H new ATOM 0 HD3 PRO A 53 13.051 -7.465 -9.099 1.00 52.32 H new ATOM 821 N PHE A 54 7.877 -7.098 -7.626 1.00 73.52 N ATOM 822 CA PHE A 54 6.820 -6.929 -6.629 1.00 62.50 C ATOM 823 C PHE A 54 5.976 -8.199 -6.357 1.00 24.43 C ATOM 824 O PHE A 54 4.749 -8.151 -6.391 1.00 13.03 O ATOM 825 CB PHE A 54 5.981 -5.713 -7.095 1.00 60.30 C ATOM 826 CG PHE A 54 5.770 -5.621 -8.596 1.00 40.03 C ATOM 827 CD1 PHE A 54 4.922 -6.541 -9.233 1.00 42.14 C ATOM 828 CD2 PHE A 54 6.492 -4.687 -9.364 1.00 54.13 C ATOM 829 CE1 PHE A 54 4.729 -6.490 -10.622 1.00 63.31 C ATOM 830 CE2 PHE A 54 6.304 -4.634 -10.759 1.00 21.44 C ATOM 831 CZ PHE A 54 5.406 -5.521 -11.381 1.00 64.44 C ATOM 0 H PHE A 54 7.625 -6.650 -8.507 1.00 73.52 H new ATOM 0 HA PHE A 54 7.262 -6.746 -5.649 1.00 62.50 H new ATOM 0 HB2 PHE A 54 5.007 -5.753 -6.607 1.00 60.30 H new ATOM 0 HB3 PHE A 54 6.470 -4.800 -6.755 1.00 60.30 H new ATOM 0 HD1 PHE A 54 4.414 -7.294 -8.649 1.00 42.14 H new ATOM 0 HD2 PHE A 54 7.187 -4.014 -8.885 1.00 54.13 H new ATOM 0 HE1 PHE A 54 4.064 -7.191 -11.104 1.00 63.31 H new ATOM 0 HE2 PHE A 54 6.849 -3.913 -11.351 1.00 21.44 H new ATOM 0 HZ PHE A 54 5.237 -5.457 -12.446 1.00 64.44 H new ATOM 841 N THR A 55 6.590 -9.357 -6.122 1.00 61.32 N ATOM 842 CA THR A 55 5.885 -10.624 -5.865 1.00 75.42 C ATOM 843 C THR A 55 5.284 -10.701 -4.440 1.00 11.24 C ATOM 844 O THR A 55 5.658 -9.918 -3.561 1.00 74.52 O ATOM 845 CB THR A 55 6.826 -11.807 -6.174 1.00 34.15 C ATOM 846 OG1 THR A 55 7.898 -11.874 -5.259 1.00 75.24 O ATOM 847 CG2 THR A 55 7.444 -11.715 -7.576 1.00 4.35 C ATOM 0 H THR A 55 7.606 -9.449 -6.103 1.00 61.32 H new ATOM 0 HA THR A 55 5.026 -10.678 -6.534 1.00 75.42 H new ATOM 0 HB THR A 55 6.197 -12.694 -6.100 1.00 34.15 H new ATOM 0 HG1 THR A 55 8.473 -12.635 -5.483 1.00 75.24 H new ATOM 0 HG21 THR A 55 8.097 -12.571 -7.742 1.00 4.35 H new ATOM 0 HG22 THR A 55 6.651 -11.713 -8.324 1.00 4.35 H new ATOM 0 HG23 THR A 55 8.023 -10.795 -7.659 1.00 4.35 H new ATOM 855 N LYS A 56 4.398 -11.681 -4.175 1.00 72.40 N ATOM 856 CA LYS A 56 3.741 -11.891 -2.868 1.00 73.50 C ATOM 857 C LYS A 56 4.721 -12.052 -1.700 1.00 13.34 C ATOM 858 O LYS A 56 4.331 -11.848 -0.550 1.00 24.44 O ATOM 859 CB LYS A 56 2.821 -13.134 -2.906 1.00 4.02 C ATOM 860 CG LYS A 56 1.323 -12.801 -2.915 1.00 42.44 C ATOM 861 CD LYS A 56 0.728 -12.620 -4.310 1.00 24.12 C ATOM 862 CE LYS A 56 -0.766 -12.282 -4.168 1.00 64.23 C ATOM 863 NZ LYS A 56 -1.431 -12.202 -5.481 1.00 15.25 N ATOM 0 H LYS A 56 4.113 -12.363 -4.877 1.00 72.40 H new ATOM 0 HA LYS A 56 3.162 -10.984 -2.694 1.00 73.50 H new ATOM 0 HB2 LYS A 56 3.058 -13.722 -3.793 1.00 4.02 H new ATOM 0 HB3 LYS A 56 3.038 -13.761 -2.041 1.00 4.02 H new ATOM 0 HG2 LYS A 56 0.783 -13.597 -2.403 1.00 42.44 H new ATOM 0 HG3 LYS A 56 1.162 -11.887 -2.343 1.00 42.44 H new ATOM 0 HD2 LYS A 56 1.247 -11.823 -4.842 1.00 24.12 H new ATOM 0 HD3 LYS A 56 0.856 -13.530 -4.896 1.00 24.12 H new ATOM 0 HE2 LYS A 56 -1.255 -13.041 -3.557 1.00 64.23 H new ATOM 0 HE3 LYS A 56 -0.877 -11.332 -3.645 1.00 64.23 H new ATOM 0 HZ1 LYS A 56 -2.437 -11.973 -5.347 1.00 15.25 H new ATOM 0 HZ2 LYS A 56 -0.980 -11.461 -6.054 1.00 15.25 H new ATOM 0 HZ3 LYS A 56 -1.346 -13.116 -5.969 1.00 15.25 H new ATOM 877 N GLU A 57 5.973 -12.421 -1.956 1.00 53.42 N ATOM 878 CA GLU A 57 6.987 -12.620 -0.927 1.00 41.33 C ATOM 879 C GLU A 57 7.242 -11.332 -0.134 1.00 55.34 C ATOM 880 O GLU A 57 7.489 -11.367 1.071 1.00 75.14 O ATOM 881 CB GLU A 57 8.276 -13.029 -1.632 1.00 61.21 C ATOM 882 CG GLU A 57 9.338 -13.586 -0.676 1.00 31.43 C ATOM 883 CD GLU A 57 10.537 -14.129 -1.451 1.00 52.43 C ATOM 884 OE1 GLU A 57 11.366 -13.323 -1.943 1.00 60.24 O ATOM 885 OE2 GLU A 57 10.666 -15.367 -1.604 1.00 43.40 O ATOM 0 H GLU A 57 6.316 -12.593 -2.901 1.00 53.42 H new ATOM 0 HA GLU A 57 6.647 -13.382 -0.226 1.00 41.33 H new ATOM 0 HB2 GLU A 57 8.046 -13.781 -2.387 1.00 61.21 H new ATOM 0 HB3 GLU A 57 8.685 -12.165 -2.156 1.00 61.21 H new ATOM 0 HG2 GLU A 57 9.666 -12.802 0.007 1.00 31.43 H new ATOM 0 HG3 GLU A 57 8.905 -14.379 -0.066 1.00 31.43 H new ATOM 892 N LYS A 58 7.187 -10.185 -0.818 1.00 4.11 N ATOM 893 CA LYS A 58 7.470 -8.865 -0.266 1.00 73.24 C ATOM 894 C LYS A 58 6.192 -8.044 -0.286 1.00 24.23 C ATOM 895 O LYS A 58 6.102 -6.979 -0.905 1.00 1.01 O ATOM 896 CB LYS A 58 8.647 -8.215 -0.994 1.00 34.13 C ATOM 897 CG LYS A 58 8.459 -8.050 -2.503 1.00 60.54 C ATOM 898 CD LYS A 58 9.725 -8.461 -3.246 1.00 22.13 C ATOM 899 CE LYS A 58 9.654 -9.939 -3.628 1.00 14.02 C ATOM 900 NZ LYS A 58 10.524 -10.245 -4.776 1.00 12.03 N ATOM 0 H LYS A 58 6.935 -10.154 -1.806 1.00 4.11 H new ATOM 0 HA LYS A 58 7.788 -8.938 0.774 1.00 73.24 H new ATOM 0 HB2 LYS A 58 8.829 -7.234 -0.556 1.00 34.13 H new ATOM 0 HB3 LYS A 58 9.540 -8.814 -0.817 1.00 34.13 H new ATOM 0 HG2 LYS A 58 7.619 -8.658 -2.840 1.00 60.54 H new ATOM 0 HG3 LYS A 58 8.215 -7.013 -2.734 1.00 60.54 H new ATOM 0 HD2 LYS A 58 9.844 -7.851 -4.142 1.00 22.13 H new ATOM 0 HD3 LYS A 58 10.598 -8.281 -2.619 1.00 22.13 H new ATOM 0 HE2 LYS A 58 9.948 -10.550 -2.775 1.00 14.02 H new ATOM 0 HE3 LYS A 58 8.625 -10.204 -3.870 1.00 14.02 H new ATOM 0 HZ1 LYS A 58 10.412 -11.245 -5.040 1.00 12.03 H new ATOM 0 HZ2 LYS A 58 10.260 -9.643 -5.582 1.00 12.03 H new ATOM 0 HZ3 LYS A 58 11.515 -10.064 -4.518 1.00 12.03 H new ATOM 914 N TRP A 59 5.190 -8.600 0.375 1.00 74.42 N ATOM 915 CA TRP A 59 3.858 -8.025 0.497 1.00 55.21 C ATOM 916 C TRP A 59 3.570 -7.698 1.982 1.00 11.05 C ATOM 917 O TRP A 59 3.027 -8.547 2.693 1.00 75.54 O ATOM 918 CB TRP A 59 2.887 -9.021 -0.159 1.00 71.21 C ATOM 919 CG TRP A 59 1.439 -8.679 -0.140 1.00 11.42 C ATOM 920 CD1 TRP A 59 0.583 -9.083 0.817 1.00 31.14 C ATOM 921 CD2 TRP A 59 0.662 -7.820 -1.027 1.00 0.45 C ATOM 922 NE1 TRP A 59 -0.609 -8.419 0.683 1.00 73.10 N ATOM 923 CE2 TRP A 59 -0.664 -7.735 -0.511 1.00 11.12 C ATOM 924 CE3 TRP A 59 0.945 -7.067 -2.185 1.00 2.42 C ATOM 925 CZ2 TRP A 59 -1.665 -6.992 -1.146 1.00 35.11 C ATOM 926 CZ3 TRP A 59 -0.056 -6.326 -2.839 1.00 55.23 C ATOM 927 CH2 TRP A 59 -1.364 -6.299 -2.328 1.00 23.14 C ATOM 0 H TRP A 59 5.283 -9.494 0.858 1.00 74.42 H new ATOM 0 HA TRP A 59 3.746 -7.071 -0.018 1.00 55.21 H new ATOM 0 HB2 TRP A 59 3.189 -9.151 -1.198 1.00 71.21 H new ATOM 0 HB3 TRP A 59 3.012 -9.986 0.332 1.00 71.21 H new ATOM 0 HD1 TRP A 59 0.802 -9.819 1.576 1.00 31.14 H new ATOM 0 HE1 TRP A 59 -1.357 -8.430 1.377 1.00 73.10 H new ATOM 0 HE3 TRP A 59 1.951 -7.059 -2.578 1.00 2.42 H new ATOM 0 HZ2 TRP A 59 -2.661 -6.952 -0.730 1.00 35.11 H new ATOM 0 HZ3 TRP A 59 0.182 -5.776 -3.737 1.00 55.23 H new ATOM 0 HH2 TRP A 59 -2.136 -5.746 -2.843 1.00 23.14 H new ATOM 938 N PRO A 60 3.984 -6.523 2.504 1.00 35.55 N ATOM 939 CA PRO A 60 3.803 -6.155 3.913 1.00 23.24 C ATOM 940 C PRO A 60 2.322 -5.949 4.252 1.00 24.45 C ATOM 941 O PRO A 60 1.597 -5.308 3.494 1.00 40.34 O ATOM 942 CB PRO A 60 4.605 -4.867 4.122 1.00 61.23 C ATOM 943 CG PRO A 60 4.648 -4.243 2.734 1.00 41.14 C ATOM 944 CD PRO A 60 4.660 -5.447 1.793 1.00 43.21 C ATOM 0 HA PRO A 60 4.152 -6.949 4.573 1.00 23.24 H new ATOM 0 HB2 PRO A 60 4.123 -4.207 4.843 1.00 61.23 H new ATOM 0 HB3 PRO A 60 5.606 -5.075 4.499 1.00 61.23 H new ATOM 0 HG2 PRO A 60 3.783 -3.604 2.556 1.00 41.14 H new ATOM 0 HG3 PRO A 60 5.535 -3.623 2.601 1.00 41.14 H new ATOM 0 HD2 PRO A 60 4.149 -5.216 0.858 1.00 43.21 H new ATOM 0 HD3 PRO A 60 5.681 -5.731 1.536 1.00 43.21 H new ATOM 952 N LEU A 61 1.858 -6.547 5.350 1.00 15.42 N ATOM 953 CA LEU A 61 0.495 -6.429 5.875 1.00 12.41 C ATOM 954 C LEU A 61 0.246 -4.978 6.278 1.00 55.40 C ATOM 955 O LEU A 61 0.938 -4.431 7.141 1.00 75.00 O ATOM 956 CB LEU A 61 0.258 -7.439 7.015 1.00 73.40 C ATOM 957 CG LEU A 61 0.344 -8.911 6.537 1.00 60.12 C ATOM 958 CD1 LEU A 61 0.467 -9.881 7.714 1.00 23.15 C ATOM 959 CD2 LEU A 61 -0.829 -9.358 5.649 1.00 55.14 C ATOM 0 H LEU A 61 2.446 -7.153 5.923 1.00 15.42 H new ATOM 0 HA LEU A 61 -0.235 -6.685 5.107 1.00 12.41 H new ATOM 0 HB2 LEU A 61 0.995 -7.273 7.801 1.00 73.40 H new ATOM 0 HB3 LEU A 61 -0.723 -7.261 7.455 1.00 73.40 H new ATOM 0 HG LEU A 61 1.246 -8.942 5.926 1.00 60.12 H new ATOM 0 HD11 LEU A 61 0.525 -10.903 7.339 1.00 23.15 H new ATOM 0 HD12 LEU A 61 1.369 -9.651 8.282 1.00 23.15 H new ATOM 0 HD13 LEU A 61 -0.405 -9.781 8.361 1.00 23.15 H new ATOM 0 HD21 LEU A 61 -0.690 -10.400 5.359 1.00 55.14 H new ATOM 0 HD22 LEU A 61 -1.763 -9.257 6.202 1.00 55.14 H new ATOM 0 HD23 LEU A 61 -0.867 -8.735 4.755 1.00 55.14 H new ATOM 971 N LEU A 62 -0.681 -4.334 5.568 1.00 31.15 N ATOM 972 CA LEU A 62 -1.112 -2.965 5.813 1.00 74.30 C ATOM 973 C LEU A 62 -2.180 -2.968 6.908 1.00 44.43 C ATOM 974 O LEU A 62 -2.958 -3.922 7.017 1.00 44.40 O ATOM 975 CB LEU A 62 -1.722 -2.349 4.541 1.00 2.41 C ATOM 976 CG LEU A 62 -0.832 -2.251 3.291 1.00 2.41 C ATOM 977 CD1 LEU A 62 -1.554 -1.385 2.253 1.00 11.04 C ATOM 978 CD2 LEU A 62 0.557 -1.671 3.554 1.00 53.30 C ATOM 0 H LEU A 62 -1.166 -4.768 4.782 1.00 31.15 H new ATOM 0 HA LEU A 62 -0.246 -2.377 6.115 1.00 74.30 H new ATOM 0 HB2 LEU A 62 -2.605 -2.931 4.278 1.00 2.41 H new ATOM 0 HB3 LEU A 62 -2.065 -1.344 4.787 1.00 2.41 H new ATOM 0 HG LEU A 62 -0.669 -3.268 2.936 1.00 2.41 H new ATOM 0 HD11 LEU A 62 -0.939 -1.302 1.357 1.00 11.04 H new ATOM 0 HD12 LEU A 62 -2.509 -1.844 1.997 1.00 11.04 H new ATOM 0 HD13 LEU A 62 -1.729 -0.392 2.666 1.00 11.04 H new ATOM 0 HD21 LEU A 62 1.120 -1.637 2.621 1.00 53.30 H new ATOM 0 HD22 LEU A 62 0.460 -0.663 3.957 1.00 53.30 H new ATOM 0 HD23 LEU A 62 1.084 -2.299 4.272 1.00 53.30 H new ATOM 990 N ASP A 63 -2.261 -1.863 7.648 1.00 62.00 N ATOM 991 CA ASP A 63 -3.197 -1.607 8.743 1.00 34.11 C ATOM 992 C ASP A 63 -4.208 -0.523 8.345 1.00 51.10 C ATOM 993 O ASP A 63 -4.109 0.112 7.289 1.00 34.03 O ATOM 994 CB ASP A 63 -2.421 -1.135 9.989 1.00 22.05 C ATOM 995 CG ASP A 63 -1.995 -2.223 10.974 1.00 75.24 C ATOM 996 OD1 ASP A 63 -2.863 -2.709 11.738 1.00 4.53 O ATOM 997 OD2 ASP A 63 -0.777 -2.471 11.117 1.00 54.12 O ATOM 0 H ASP A 63 -1.636 -1.073 7.489 1.00 62.00 H new ATOM 0 HA ASP A 63 -3.731 -2.531 8.963 1.00 34.11 H new ATOM 0 HB2 ASP A 63 -1.528 -0.606 9.656 1.00 22.05 H new ATOM 0 HB3 ASP A 63 -3.038 -0.413 10.523 1.00 22.05 H new ATOM 1002 N SER A 64 -5.147 -0.253 9.249 1.00 44.33 N ATOM 1003 CA SER A 64 -6.036 0.906 9.226 1.00 42.33 C ATOM 1004 C SER A 64 -5.307 2.197 9.553 1.00 11.11 C ATOM 1005 O SER A 64 -5.696 3.267 9.088 1.00 41.10 O ATOM 1006 CB SER A 64 -7.139 0.746 10.271 1.00 21.33 C ATOM 1007 OG SER A 64 -8.088 -0.183 9.812 1.00 32.02 O ATOM 0 H SER A 64 -5.316 -0.861 10.050 1.00 44.33 H new ATOM 0 HA SER A 64 -6.441 0.959 8.215 1.00 42.33 H new ATOM 0 HB2 SER A 64 -6.713 0.410 11.216 1.00 21.33 H new ATOM 0 HB3 SER A 64 -7.617 1.707 10.461 1.00 21.33 H new ATOM 0 HG SER A 64 -8.795 -0.287 10.483 1.00 32.02 H new ATOM 1013 N GLU A 65 -4.287 2.109 10.394 1.00 73.31 N ATOM 1014 CA GLU A 65 -3.737 3.256 11.092 1.00 63.02 C ATOM 1015 C GLU A 65 -3.043 4.235 10.141 1.00 1.24 C ATOM 1016 O GLU A 65 -2.996 5.430 10.428 1.00 73.02 O ATOM 1017 CB GLU A 65 -2.755 2.722 12.128 1.00 41.14 C ATOM 1018 CG GLU A 65 -3.452 1.995 13.287 1.00 11.13 C ATOM 1019 CD GLU A 65 -3.791 2.929 14.453 1.00 40.43 C ATOM 1020 OE1 GLU A 65 -3.859 4.169 14.278 1.00 13.14 O ATOM 1021 OE2 GLU A 65 -3.984 2.441 15.587 1.00 23.24 O ATOM 0 H GLU A 65 -3.816 1.231 10.611 1.00 73.31 H new ATOM 0 HA GLU A 65 -4.542 3.818 11.565 1.00 63.02 H new ATOM 0 HB2 GLU A 65 -2.058 2.039 11.643 1.00 41.14 H new ATOM 0 HB3 GLU A 65 -2.167 3.549 12.525 1.00 41.14 H new ATOM 0 HG2 GLU A 65 -4.368 1.531 12.921 1.00 11.13 H new ATOM 0 HG3 GLU A 65 -2.809 1.192 13.646 1.00 11.13 H new ATOM 1028 N THR A 66 -2.530 3.738 9.016 1.00 53.54 N ATOM 1029 CA THR A 66 -1.856 4.523 7.986 1.00 52.10 C ATOM 1030 C THR A 66 -2.888 5.109 7.005 1.00 53.53 C ATOM 1031 O THR A 66 -2.612 6.084 6.311 1.00 32.44 O ATOM 1032 CB THR A 66 -0.836 3.608 7.272 1.00 42.21 C ATOM 1033 OG1 THR A 66 -0.344 2.595 8.144 1.00 2.22 O ATOM 1034 CG2 THR A 66 0.369 4.349 6.685 1.00 34.15 C ATOM 0 H THR A 66 -2.574 2.744 8.790 1.00 53.54 H new ATOM 0 HA THR A 66 -1.325 5.366 8.429 1.00 52.10 H new ATOM 0 HB THR A 66 -1.400 3.172 6.447 1.00 42.21 H new ATOM 0 HG1 THR A 66 0.297 2.032 7.662 1.00 2.22 H new ATOM 0 HG21 THR A 66 1.036 3.634 6.202 1.00 34.15 H new ATOM 0 HG22 THR A 66 0.026 5.078 5.951 1.00 34.15 H new ATOM 0 HG23 THR A 66 0.905 4.862 7.483 1.00 34.15 H new ATOM 1042 N MET A 67 -4.108 4.559 6.959 1.00 52.40 N ATOM 1043 CA MET A 67 -5.238 5.090 6.199 1.00 30.13 C ATOM 1044 C MET A 67 -5.958 6.157 7.027 1.00 50.22 C ATOM 1045 O MET A 67 -7.168 6.074 7.279 1.00 25.40 O ATOM 1046 CB MET A 67 -6.159 3.950 5.750 1.00 23.25 C ATOM 1047 CG MET A 67 -5.506 3.175 4.602 1.00 62.44 C ATOM 1048 SD MET A 67 -6.649 2.338 3.477 1.00 11.13 S ATOM 1049 CE MET A 67 -7.629 3.770 2.931 1.00 24.32 C ATOM 0 H MET A 67 -4.339 3.705 7.467 1.00 52.40 H new ATOM 0 HA MET A 67 -4.885 5.576 5.289 1.00 30.13 H new ATOM 0 HB2 MET A 67 -6.357 3.280 6.586 1.00 23.25 H new ATOM 0 HB3 MET A 67 -7.120 4.352 5.429 1.00 23.25 H new ATOM 0 HG2 MET A 67 -4.894 3.866 4.022 1.00 62.44 H new ATOM 0 HG3 MET A 67 -4.832 2.431 5.026 1.00 62.44 H new ATOM 0 HE1 MET A 67 -8.018 3.584 1.930 1.00 24.32 H new ATOM 0 HE2 MET A 67 -8.459 3.927 3.620 1.00 24.32 H new ATOM 0 HE3 MET A 67 -6.998 4.658 2.916 1.00 24.32 H new ATOM 1059 N LYS A 68 -5.200 7.162 7.463 1.00 30.43 N ATOM 1060 CA LYS A 68 -5.695 8.328 8.168 1.00 53.25 C ATOM 1061 C LYS A 68 -5.198 9.539 7.410 1.00 5.10 C ATOM 1062 O LYS A 68 -3.991 9.763 7.325 1.00 10.20 O ATOM 1063 CB LYS A 68 -5.234 8.340 9.629 1.00 14.44 C ATOM 1064 CG LYS A 68 -6.332 7.848 10.575 1.00 63.41 C ATOM 1065 CD LYS A 68 -6.479 6.318 10.660 1.00 23.01 C ATOM 1066 CE LYS A 68 -7.421 5.956 11.814 1.00 71.23 C ATOM 1067 NZ LYS A 68 -6.708 5.399 12.981 1.00 45.44 N ATOM 0 H LYS A 68 -4.189 7.181 7.327 1.00 30.43 H new ATOM 0 HA LYS A 68 -6.784 8.323 8.206 1.00 53.25 H new ATOM 0 HB2 LYS A 68 -4.352 7.709 9.737 1.00 14.44 H new ATOM 0 HB3 LYS A 68 -4.939 9.351 9.909 1.00 14.44 H new ATOM 0 HG2 LYS A 68 -6.130 8.235 11.574 1.00 63.41 H new ATOM 0 HG3 LYS A 68 -7.284 8.272 10.255 1.00 63.41 H new ATOM 0 HD2 LYS A 68 -6.871 5.927 9.721 1.00 23.01 H new ATOM 0 HD3 LYS A 68 -5.504 5.857 10.815 1.00 23.01 H new ATOM 0 HE2 LYS A 68 -7.971 6.846 12.121 1.00 71.23 H new ATOM 0 HE3 LYS A 68 -8.156 5.232 11.463 1.00 71.23 H new ATOM 0 HZ1 LYS A 68 -7.386 5.220 13.749 1.00 45.44 H new ATOM 0 HZ2 LYS A 68 -6.246 4.507 12.712 1.00 45.44 H new ATOM 0 HZ3 LYS A 68 -5.989 6.077 13.305 1.00 45.44 H new ATOM 1081 N GLU A 69 -6.131 10.286 6.839 1.00 30.01 N ATOM 1082 CA GLU A 69 -5.839 11.513 6.121 1.00 3.41 C ATOM 1083 C GLU A 69 -5.627 12.612 7.130 1.00 10.40 C ATOM 1084 O GLU A 69 -6.528 12.976 7.889 1.00 32.32 O ATOM 1085 CB GLU A 69 -6.972 11.891 5.152 1.00 23.11 C ATOM 1086 CG GLU A 69 -7.080 10.973 3.923 1.00 21.14 C ATOM 1087 CD GLU A 69 -8.476 10.354 3.762 1.00 10.23 C ATOM 1088 OE1 GLU A 69 -9.462 11.130 3.663 1.00 62.42 O ATOM 1089 OE2 GLU A 69 -8.609 9.118 3.667 1.00 4.54 O ATOM 0 H GLU A 69 -7.124 10.052 6.863 1.00 30.01 H new ATOM 0 HA GLU A 69 -4.942 11.367 5.520 1.00 3.41 H new ATOM 0 HB2 GLU A 69 -7.919 11.871 5.692 1.00 23.11 H new ATOM 0 HB3 GLU A 69 -6.820 12.916 4.814 1.00 23.11 H new ATOM 0 HG2 GLU A 69 -6.835 11.543 3.027 1.00 21.14 H new ATOM 0 HG3 GLU A 69 -6.341 10.176 4.005 1.00 21.14 H new ATOM 1096 N GLU A 70 -4.422 13.153 7.083 1.00 43.53 N ATOM 1097 CA GLU A 70 -4.024 14.344 7.803 1.00 42.11 C ATOM 1098 C GLU A 70 -2.866 15.024 7.068 1.00 23.33 C ATOM 1099 O GLU A 70 -2.484 14.581 5.988 1.00 23.40 O ATOM 1100 CB GLU A 70 -3.710 13.998 9.255 1.00 25.11 C ATOM 1101 CG GLU A 70 -2.564 13.038 9.523 1.00 73.12 C ATOM 1102 CD GLU A 70 -2.447 12.796 11.024 1.00 10.40 C ATOM 1103 OE1 GLU A 70 -3.221 11.980 11.576 1.00 65.45 O ATOM 1104 OE2 GLU A 70 -1.654 13.500 11.692 1.00 74.22 O ATOM 0 H GLU A 70 -3.668 12.758 6.521 1.00 43.53 H new ATOM 0 HA GLU A 70 -4.842 15.064 7.833 1.00 42.11 H new ATOM 0 HB2 GLU A 70 -3.498 14.928 9.782 1.00 25.11 H new ATOM 0 HB3 GLU A 70 -4.611 13.577 9.701 1.00 25.11 H new ATOM 0 HG2 GLU A 70 -2.736 12.095 9.004 1.00 73.12 H new ATOM 0 HG3 GLU A 70 -1.632 13.450 9.136 1.00 73.12 H new ATOM 1111 N ARG A 71 -2.323 16.115 7.601 1.00 54.32 N ATOM 1112 CA ARG A 71 -1.136 16.824 7.109 1.00 33.00 C ATOM 1113 C ARG A 71 -0.353 17.214 8.360 1.00 64.33 C ATOM 1114 O ARG A 71 -0.973 17.648 9.332 1.00 72.43 O ATOM 1115 CB ARG A 71 -1.544 18.089 6.335 1.00 53.24 C ATOM 1116 CG ARG A 71 -0.347 18.725 5.612 1.00 21.01 C ATOM 1117 CD ARG A 71 -0.243 20.226 5.898 1.00 62.02 C ATOM 1118 NE ARG A 71 -1.039 21.022 4.950 1.00 12.53 N ATOM 1119 CZ ARG A 71 -0.883 22.326 4.695 1.00 2.44 C ATOM 1120 NH1 ARG A 71 -0.040 23.056 5.409 1.00 63.31 N ATOM 1121 NH2 ARG A 71 -1.568 22.889 3.710 1.00 31.22 N ATOM 0 H ARG A 71 -2.717 16.555 8.432 1.00 54.32 H new ATOM 0 HA ARG A 71 -0.551 16.204 6.430 1.00 33.00 H new ATOM 0 HB2 ARG A 71 -2.316 17.837 5.608 1.00 53.24 H new ATOM 0 HB3 ARG A 71 -1.979 18.813 7.024 1.00 53.24 H new ATOM 0 HG2 ARG A 71 0.572 18.230 5.926 1.00 21.01 H new ATOM 0 HG3 ARG A 71 -0.444 18.565 4.538 1.00 21.01 H new ATOM 0 HD2 ARG A 71 -0.582 20.426 6.914 1.00 62.02 H new ATOM 0 HD3 ARG A 71 0.801 20.534 5.844 1.00 62.02 H new ATOM 0 HE ARG A 71 -1.777 20.535 4.441 1.00 12.53 H new ATOM 0 HH11 ARG A 71 0.497 22.625 6.161 1.00 63.31 H new ATOM 0 HH12 ARG A 71 0.072 24.049 5.207 1.00 63.31 H new ATOM 0 HH21 ARG A 71 -2.211 22.328 3.150 1.00 31.22 H new ATOM 0 HH22 ARG A 71 -1.453 23.883 3.512 1.00 31.22 H new ATOM 1135 N ILE A 72 0.966 17.081 8.348 1.00 32.14 N ATOM 1136 CA ILE A 72 1.857 17.305 9.465 1.00 53.11 C ATOM 1137 C ILE A 72 2.962 18.219 8.957 1.00 24.01 C ATOM 1138 O ILE A 72 3.825 17.797 8.189 1.00 32.40 O ATOM 1139 CB ILE A 72 2.405 15.953 9.989 1.00 41.21 C ATOM 1140 CG1 ILE A 72 1.305 14.904 10.289 1.00 45.45 C ATOM 1141 CG2 ILE A 72 3.216 16.202 11.273 1.00 12.34 C ATOM 1142 CD1 ILE A 72 0.845 14.046 9.108 1.00 3.41 C ATOM 0 H ILE A 72 1.467 16.797 7.506 1.00 32.14 H new ATOM 0 HA ILE A 72 1.348 17.773 10.308 1.00 53.11 H new ATOM 0 HB ILE A 72 3.024 15.541 9.192 1.00 41.21 H new ATOM 0 HG12 ILE A 72 1.670 14.240 11.072 1.00 45.45 H new ATOM 0 HG13 ILE A 72 0.436 15.425 10.692 1.00 45.45 H new ATOM 0 HG21 ILE A 72 3.605 15.255 11.647 1.00 12.34 H new ATOM 0 HG22 ILE A 72 4.046 16.874 11.055 1.00 12.34 H new ATOM 0 HG23 ILE A 72 2.573 16.654 12.028 1.00 12.34 H new ATOM 0 HD11 ILE A 72 0.075 13.351 9.442 1.00 3.41 H new ATOM 0 HD12 ILE A 72 0.440 14.689 8.327 1.00 3.41 H new ATOM 0 HD13 ILE A 72 1.693 13.486 8.713 1.00 3.41 H new ATOM 1154 N THR A 73 2.916 19.486 9.356 1.00 11.50 N ATOM 1155 CA THR A 73 4.063 20.367 9.218 1.00 21.41 C ATOM 1156 C THR A 73 5.137 19.938 10.214 1.00 70.12 C ATOM 1157 O THR A 73 4.837 19.581 11.361 1.00 3.51 O ATOM 1158 CB THR A 73 3.645 21.831 9.404 1.00 45.32 C ATOM 1159 OG1 THR A 73 4.775 22.669 9.382 1.00 70.33 O ATOM 1160 CG2 THR A 73 2.859 22.124 10.686 1.00 61.42 C ATOM 0 H THR A 73 2.096 19.923 9.777 1.00 11.50 H new ATOM 0 HA THR A 73 4.478 20.289 8.213 1.00 21.41 H new ATOM 0 HB THR A 73 2.974 22.031 8.569 1.00 45.32 H new ATOM 0 HG1 THR A 73 4.494 23.600 9.500 1.00 70.33 H new ATOM 0 HG21 THR A 73 2.610 23.184 10.726 1.00 61.42 H new ATOM 0 HG22 THR A 73 1.942 21.535 10.693 1.00 61.42 H new ATOM 0 HG23 THR A 73 3.465 21.861 11.553 1.00 61.42 H new ATOM 1168 N GLN A 74 6.383 19.998 9.762 1.00 32.31 N ATOM 1169 CA GLN A 74 7.606 19.796 10.498 1.00 44.35 C ATOM 1170 C GLN A 74 8.559 20.941 10.120 1.00 1.41 C ATOM 1171 O GLN A 74 8.257 21.743 9.233 1.00 14.31 O ATOM 1172 CB GLN A 74 8.183 18.409 10.158 1.00 2.51 C ATOM 1173 CG GLN A 74 7.118 17.323 9.984 1.00 73.43 C ATOM 1174 CD GLN A 74 7.717 15.993 9.560 1.00 62.45 C ATOM 1175 OE1 GLN A 74 8.339 15.914 8.509 1.00 24.33 O ATOM 1176 NE2 GLN A 74 7.539 14.933 10.326 1.00 10.13 N ATOM 0 H GLN A 74 6.570 20.209 8.782 1.00 32.31 H new ATOM 0 HA GLN A 74 7.445 19.813 11.576 1.00 44.35 H new ATOM 0 HB2 GLN A 74 8.766 18.483 9.240 1.00 2.51 H new ATOM 0 HB3 GLN A 74 8.870 18.108 10.949 1.00 2.51 H new ATOM 0 HG2 GLN A 74 6.577 17.193 10.922 1.00 73.43 H new ATOM 0 HG3 GLN A 74 6.391 17.646 9.239 1.00 73.43 H new ATOM 0 HE21 GLN A 74 7.018 15.016 11.199 1.00 10.13 H new ATOM 0 HE22 GLN A 74 7.922 14.031 10.045 1.00 10.13 H new ATOM 1185 N GLU A 75 9.713 21.025 10.781 1.00 65.33 N ATOM 1186 CA GLU A 75 10.743 22.036 10.515 1.00 53.15 C ATOM 1187 C GLU A 75 12.131 21.423 10.358 1.00 22.41 C ATOM 1188 O GLU A 75 13.045 22.085 9.870 1.00 3.23 O ATOM 1189 CB GLU A 75 10.762 23.066 11.651 1.00 13.50 C ATOM 1190 CG GLU A 75 9.609 24.067 11.560 1.00 52.53 C ATOM 1191 CD GLU A 75 9.628 24.946 10.302 1.00 32.31 C ATOM 1192 OE1 GLU A 75 10.723 25.306 9.805 1.00 24.23 O ATOM 1193 OE2 GLU A 75 8.524 25.349 9.860 1.00 33.04 O ATOM 0 H GLU A 75 9.966 20.381 11.531 1.00 65.33 H new ATOM 0 HA GLU A 75 10.489 22.519 9.571 1.00 53.15 H new ATOM 0 HB2 GLU A 75 10.712 22.546 12.608 1.00 13.50 H new ATOM 0 HB3 GLU A 75 11.709 23.606 11.631 1.00 13.50 H new ATOM 0 HG2 GLU A 75 8.666 23.520 11.592 1.00 52.53 H new ATOM 0 HG3 GLU A 75 9.634 24.711 12.439 1.00 52.53 H new ATOM 1200 N GLU A 76 12.277 20.159 10.742 1.00 34.31 N ATOM 1201 CA GLU A 76 13.470 19.338 10.615 1.00 5.11 C ATOM 1202 C GLU A 76 13.153 18.092 9.778 1.00 13.52 C ATOM 1203 O GLU A 76 13.891 17.108 9.846 1.00 73.21 O ATOM 1204 CB GLU A 76 13.995 18.980 12.019 1.00 3.52 C ATOM 1205 CG GLU A 76 14.637 20.192 12.699 1.00 53.32 C ATOM 1206 CD GLU A 76 15.193 19.848 14.080 1.00 2.10 C ATOM 1207 OE1 GLU A 76 16.069 18.964 14.185 1.00 22.13 O ATOM 1208 OE2 GLU A 76 14.777 20.511 15.062 1.00 31.30 O ATOM 0 H GLU A 76 11.510 19.649 11.180 1.00 34.31 H new ATOM 0 HA GLU A 76 14.256 19.887 10.097 1.00 5.11 H new ATOM 0 HB2 GLU A 76 13.174 18.609 12.633 1.00 3.52 H new ATOM 0 HB3 GLU A 76 14.725 18.174 11.942 1.00 3.52 H new ATOM 0 HG2 GLU A 76 15.440 20.576 12.071 1.00 53.32 H new ATOM 0 HG3 GLU A 76 13.898 20.988 12.794 1.00 53.32 H new ATOM 1215 N GLY A 77 12.041 18.107 9.035 1.00 44.42 N ATOM 1216 CA GLY A 77 11.597 17.055 8.135 1.00 45.34 C ATOM 1217 C GLY A 77 11.105 17.712 6.853 1.00 31.10 C ATOM 1218 O GLY A 77 11.909 17.923 5.943 1.00 74.35 O ATOM 0 H GLY A 77 11.398 18.898 9.051 1.00 44.42 H new ATOM 0 HA2 GLY A 77 12.414 16.366 7.921 1.00 45.34 H new ATOM 0 HA3 GLY A 77 10.800 16.471 8.595 1.00 45.34 H new ATOM 1222 N GLY A 78 9.831 18.098 6.815 1.00 14.01 N ATOM 1223 CA GLY A 78 9.163 18.757 5.700 1.00 10.24 C ATOM 1224 C GLY A 78 7.664 18.802 5.997 1.00 11.22 C ATOM 1225 O GLY A 78 7.297 18.927 7.165 1.00 23.21 O ATOM 0 H GLY A 78 9.205 17.950 7.606 1.00 14.01 H new ATOM 0 HA2 GLY A 78 9.554 19.766 5.566 1.00 10.24 H new ATOM 0 HA3 GLY A 78 9.350 18.216 4.772 1.00 10.24 H new ATOM 1229 N ILE A 79 6.781 18.666 4.997 1.00 2.34 N ATOM 1230 CA ILE A 79 5.349 18.533 5.245 1.00 70.42 C ATOM 1231 C ILE A 79 4.912 17.117 4.918 1.00 42.11 C ATOM 1232 O ILE A 79 4.698 16.809 3.753 1.00 62.54 O ATOM 1233 CB ILE A 79 4.548 19.627 4.503 1.00 30.34 C ATOM 1234 CG1 ILE A 79 5.032 21.032 4.907 1.00 72.33 C ATOM 1235 CG2 ILE A 79 3.044 19.485 4.797 1.00 65.24 C ATOM 1236 CD1 ILE A 79 4.422 22.160 4.067 1.00 63.21 C ATOM 0 H ILE A 79 7.039 18.646 4.010 1.00 2.34 H new ATOM 0 HA ILE A 79 5.135 18.697 6.301 1.00 70.42 H new ATOM 0 HB ILE A 79 4.714 19.498 3.433 1.00 30.34 H new ATOM 0 HG12 ILE A 79 4.791 21.202 5.956 1.00 72.33 H new ATOM 0 HG13 ILE A 79 6.118 21.072 4.819 1.00 72.33 H new ATOM 0 HG21 ILE A 79 2.495 20.263 4.267 1.00 65.24 H new ATOM 0 HG22 ILE A 79 2.699 18.506 4.464 1.00 65.24 H new ATOM 0 HG23 ILE A 79 2.872 19.585 5.869 1.00 65.24 H new ATOM 0 HD11 ILE A 79 4.810 23.119 4.410 1.00 63.21 H new ATOM 0 HD12 ILE A 79 4.685 22.016 3.019 1.00 63.21 H new ATOM 0 HD13 ILE A 79 3.337 22.148 4.174 1.00 63.21 H new ATOM 1248 N TYR A 80 4.826 16.243 5.916 1.00 22.20 N ATOM 1249 CA TYR A 80 4.350 14.881 5.726 1.00 43.22 C ATOM 1250 C TYR A 80 2.826 14.927 5.587 1.00 42.21 C ATOM 1251 O TYR A 80 2.143 15.468 6.453 1.00 13.14 O ATOM 1252 CB TYR A 80 4.801 14.003 6.900 1.00 2.51 C ATOM 1253 CG TYR A 80 5.018 12.555 6.507 1.00 43.22 C ATOM 1254 CD1 TYR A 80 3.942 11.647 6.501 1.00 14.11 C ATOM 1255 CD2 TYR A 80 6.305 12.118 6.135 1.00 1.21 C ATOM 1256 CE1 TYR A 80 4.158 10.301 6.156 1.00 61.25 C ATOM 1257 CE2 TYR A 80 6.528 10.774 5.787 1.00 34.31 C ATOM 1258 CZ TYR A 80 5.455 9.852 5.815 1.00 10.43 C ATOM 1259 OH TYR A 80 5.652 8.539 5.516 1.00 64.51 O ATOM 0 H TYR A 80 5.085 16.461 6.878 1.00 22.20 H new ATOM 0 HA TYR A 80 4.770 14.439 4.822 1.00 43.22 H new ATOM 0 HB2 TYR A 80 5.727 14.405 7.312 1.00 2.51 H new ATOM 0 HB3 TYR A 80 4.053 14.051 7.691 1.00 2.51 H new ATOM 0 HD1 TYR A 80 2.950 11.985 6.762 1.00 14.11 H new ATOM 0 HD2 TYR A 80 7.126 12.820 6.117 1.00 1.21 H new ATOM 0 HE1 TYR A 80 3.330 9.607 6.151 1.00 61.25 H new ATOM 0 HE2 TYR A 80 7.516 10.446 5.499 1.00 34.31 H new ATOM 0 HH TYR A 80 6.597 8.390 5.302 1.00 64.51 H new ATOM 1269 N VAL A 81 2.265 14.434 4.487 1.00 31.51 N ATOM 1270 CA VAL A 81 0.840 14.394 4.224 1.00 3.12 C ATOM 1271 C VAL A 81 0.459 13.217 3.330 1.00 5.14 C ATOM 1272 O VAL A 81 0.846 13.153 2.165 1.00 23.40 O ATOM 1273 CB VAL A 81 0.349 15.753 3.731 1.00 33.50 C ATOM 1274 CG1 VAL A 81 1.196 16.474 2.709 1.00 42.32 C ATOM 1275 CG2 VAL A 81 -1.075 15.706 3.159 1.00 25.51 C ATOM 0 H VAL A 81 2.818 14.037 3.727 1.00 31.51 H new ATOM 0 HA VAL A 81 0.311 14.206 5.158 1.00 3.12 H new ATOM 0 HB VAL A 81 0.407 16.320 4.660 1.00 33.50 H new ATOM 0 HG11 VAL A 81 0.726 17.423 2.452 1.00 42.32 H new ATOM 0 HG12 VAL A 81 2.187 16.660 3.124 1.00 42.32 H new ATOM 0 HG13 VAL A 81 1.287 15.860 1.813 1.00 42.32 H new ATOM 0 HG21 VAL A 81 -1.366 16.702 2.826 1.00 25.51 H new ATOM 0 HG22 VAL A 81 -1.105 15.017 2.315 1.00 25.51 H new ATOM 0 HG23 VAL A 81 -1.766 15.365 3.930 1.00 25.51 H new ATOM 1285 N SER A 82 -0.348 12.313 3.872 1.00 31.52 N ATOM 1286 CA SER A 82 -1.259 11.470 3.119 1.00 63.33 C ATOM 1287 C SER A 82 -2.535 12.251 2.780 1.00 32.41 C ATOM 1288 O SER A 82 -3.340 12.564 3.666 1.00 41.35 O ATOM 1289 CB SER A 82 -1.586 10.192 3.912 1.00 53.13 C ATOM 1290 OG SER A 82 -1.553 10.383 5.315 1.00 42.35 O ATOM 0 H SER A 82 -0.385 12.144 4.877 1.00 31.52 H new ATOM 0 HA SER A 82 -0.781 11.172 2.186 1.00 63.33 H new ATOM 0 HB2 SER A 82 -2.575 9.836 3.623 1.00 53.13 H new ATOM 0 HB3 SER A 82 -0.875 9.412 3.641 1.00 53.13 H new ATOM 0 HG SER A 82 -2.421 10.139 5.699 1.00 42.35 H new ATOM 1296 N LYS A 83 -2.749 12.544 1.494 1.00 10.00 N ATOM 1297 CA LYS A 83 -4.087 12.590 0.914 1.00 62.31 C ATOM 1298 C LYS A 83 -4.056 11.828 -0.400 1.00 25.10 C ATOM 1299 O LYS A 83 -3.005 11.710 -1.033 1.00 62.31 O ATOM 1300 CB LYS A 83 -4.578 14.015 0.647 1.00 61.54 C ATOM 1301 CG LYS A 83 -4.811 14.804 1.931 1.00 13.02 C ATOM 1302 CD LYS A 83 -5.585 16.103 1.650 1.00 45.23 C ATOM 1303 CE LYS A 83 -4.666 17.198 1.092 1.00 62.35 C ATOM 1304 NZ LYS A 83 -3.949 17.918 2.160 1.00 65.33 N ATOM 0 H LYS A 83 -2.002 12.754 0.832 1.00 10.00 H new ATOM 0 HA LYS A 83 -4.776 12.145 1.632 1.00 62.31 H new ATOM 0 HB2 LYS A 83 -3.847 14.538 0.031 1.00 61.54 H new ATOM 0 HB3 LYS A 83 -5.506 13.975 0.076 1.00 61.54 H new ATOM 0 HG2 LYS A 83 -5.367 14.192 2.642 1.00 13.02 H new ATOM 0 HG3 LYS A 83 -3.853 15.041 2.395 1.00 13.02 H new ATOM 0 HD2 LYS A 83 -6.387 15.903 0.939 1.00 45.23 H new ATOM 0 HD3 LYS A 83 -6.054 16.454 2.569 1.00 45.23 H new ATOM 0 HE2 LYS A 83 -3.944 16.751 0.409 1.00 62.35 H new ATOM 0 HE3 LYS A 83 -5.258 17.906 0.512 1.00 62.35 H new ATOM 0 HZ1 LYS A 83 -3.242 18.553 1.737 1.00 65.33 H new ATOM 0 HZ2 LYS A 83 -4.626 18.477 2.717 1.00 65.33 H new ATOM 0 HZ3 LYS A 83 -3.472 17.233 2.780 1.00 65.33 H new ATOM 1318 N PHE A 84 -5.229 11.380 -0.847 1.00 32.13 N ATOM 1319 CA PHE A 84 -5.373 10.898 -2.205 1.00 53.41 C ATOM 1320 C PHE A 84 -5.085 12.044 -3.174 1.00 53.44 C ATOM 1321 O PHE A 84 -5.329 13.219 -2.865 1.00 71.32 O ATOM 1322 CB PHE A 84 -6.765 10.280 -2.426 1.00 10.31 C ATOM 1323 CG PHE A 84 -7.935 11.183 -2.067 1.00 33.31 C ATOM 1324 CD1 PHE A 84 -8.313 12.234 -2.926 1.00 71.21 C ATOM 1325 CD2 PHE A 84 -8.631 10.991 -0.856 1.00 52.34 C ATOM 1326 CE1 PHE A 84 -9.349 13.111 -2.561 1.00 30.32 C ATOM 1327 CE2 PHE A 84 -9.686 11.852 -0.507 1.00 14.34 C ATOM 1328 CZ PHE A 84 -10.039 12.918 -1.353 1.00 5.02 C ATOM 0 H PHE A 84 -6.082 11.344 -0.288 1.00 32.13 H new ATOM 0 HA PHE A 84 -4.652 10.102 -2.392 1.00 53.41 H new ATOM 0 HB2 PHE A 84 -6.856 9.992 -3.473 1.00 10.31 H new ATOM 0 HB3 PHE A 84 -6.837 9.366 -1.837 1.00 10.31 H new ATOM 0 HD1 PHE A 84 -7.804 12.366 -3.869 1.00 71.21 H new ATOM 0 HD2 PHE A 84 -8.354 10.182 -0.196 1.00 52.34 H new ATOM 0 HE1 PHE A 84 -9.614 13.933 -3.209 1.00 30.32 H new ATOM 0 HE2 PHE A 84 -10.227 11.694 0.414 1.00 14.34 H new ATOM 0 HZ PHE A 84 -10.839 13.587 -1.074 1.00 5.02 H new ATOM 1338 N THR A 85 -4.603 11.692 -4.356 1.00 53.14 N ATOM 1339 CA THR A 85 -4.160 12.626 -5.385 1.00 61.51 C ATOM 1340 C THR A 85 -5.161 12.682 -6.543 1.00 53.15 C ATOM 1341 O THR A 85 -5.205 13.664 -7.288 1.00 13.32 O ATOM 1342 CB THR A 85 -2.764 12.162 -5.829 1.00 64.45 C ATOM 1343 OG1 THR A 85 -2.844 10.797 -6.199 1.00 11.04 O ATOM 1344 CG2 THR A 85 -1.772 12.315 -4.666 1.00 53.31 C ATOM 0 H THR A 85 -4.505 10.716 -4.637 1.00 53.14 H new ATOM 0 HA THR A 85 -4.105 13.645 -5.003 1.00 61.51 H new ATOM 0 HB THR A 85 -2.422 12.765 -6.670 1.00 64.45 H new ATOM 0 HG1 THR A 85 -2.080 10.311 -5.824 1.00 11.04 H new ATOM 0 HG21 THR A 85 -0.783 11.985 -4.985 1.00 53.31 H new ATOM 0 HG22 THR A 85 -1.725 13.361 -4.363 1.00 53.31 H new ATOM 0 HG23 THR A 85 -2.103 11.708 -3.823 1.00 53.31 H new ATOM 1352 N LEU A 86 -6.014 11.660 -6.659 1.00 13.42 N ATOM 1353 CA LEU A 86 -7.070 11.505 -7.645 1.00 42.04 C ATOM 1354 C LEU A 86 -8.257 10.884 -6.918 1.00 65.34 C ATOM 1355 O LEU A 86 -8.076 10.060 -6.018 1.00 1.00 O ATOM 1356 CB LEU A 86 -6.529 10.643 -8.798 1.00 51.14 C ATOM 1357 CG LEU A 86 -7.525 10.164 -9.877 1.00 3.31 C ATOM 1358 CD1 LEU A 86 -8.161 8.828 -9.500 1.00 2.40 C ATOM 1359 CD2 LEU A 86 -8.513 11.218 -10.382 1.00 52.03 C ATOM 0 H LEU A 86 -5.976 10.867 -6.018 1.00 13.42 H new ATOM 0 HA LEU A 86 -7.397 12.446 -8.088 1.00 42.04 H new ATOM 0 HB2 LEU A 86 -5.743 11.209 -9.298 1.00 51.14 H new ATOM 0 HB3 LEU A 86 -6.059 9.761 -8.363 1.00 51.14 H new ATOM 0 HG LEU A 86 -6.922 9.985 -10.767 1.00 3.31 H new ATOM 0 HD11 LEU A 86 -8.856 8.522 -10.282 1.00 2.40 H new ATOM 0 HD12 LEU A 86 -7.383 8.073 -9.390 1.00 2.40 H new ATOM 0 HD13 LEU A 86 -8.699 8.934 -8.558 1.00 2.40 H new ATOM 0 HD21 LEU A 86 -9.164 10.775 -11.135 1.00 52.03 H new ATOM 0 HD22 LEU A 86 -9.116 11.580 -9.549 1.00 52.03 H new ATOM 0 HD23 LEU A 86 -7.964 12.051 -10.821 1.00 52.03 H new ATOM 1371 N ASN A 87 -9.458 11.319 -7.292 1.00 34.33 N ATOM 1372 CA ASN A 87 -10.706 11.130 -6.545 1.00 4.13 C ATOM 1373 C ASN A 87 -11.839 10.672 -7.469 1.00 34.41 C ATOM 1374 O ASN A 87 -12.989 11.111 -7.362 1.00 25.40 O ATOM 1375 CB ASN A 87 -11.048 12.423 -5.786 1.00 1.04 C ATOM 1376 CG ASN A 87 -12.130 12.225 -4.732 1.00 31.53 C ATOM 1377 OD1 ASN A 87 -12.275 11.147 -4.166 1.00 70.41 O ATOM 1378 ND2 ASN A 87 -12.886 13.260 -4.407 1.00 62.22 N ATOM 0 H ASN A 87 -9.597 11.835 -8.161 1.00 34.33 H new ATOM 0 HA ASN A 87 -10.574 10.335 -5.811 1.00 4.13 H new ATOM 0 HB2 ASN A 87 -10.147 12.806 -5.307 1.00 1.04 H new ATOM 0 HB3 ASN A 87 -11.376 13.180 -6.498 1.00 1.04 H new ATOM 0 HD21 ASN A 87 -13.596 13.165 -3.681 1.00 62.22 H new ATOM 0 HD22 ASN A 87 -12.759 14.153 -4.882 1.00 62.22 H new ATOM 1385 N GLU A 88 -11.507 9.817 -8.432 1.00 50.45 N ATOM 1386 CA GLU A 88 -12.458 9.064 -9.245 1.00 42.12 C ATOM 1387 C GLU A 88 -13.318 8.165 -8.338 1.00 32.14 C ATOM 1388 O GLU A 88 -12.980 7.936 -7.172 1.00 23.40 O ATOM 1389 CB GLU A 88 -11.650 8.204 -10.226 1.00 71.12 C ATOM 1390 CG GLU A 88 -11.115 8.917 -11.469 1.00 61.15 C ATOM 1391 CD GLU A 88 -12.172 9.042 -12.555 1.00 30.22 C ATOM 1392 OE1 GLU A 88 -12.439 8.037 -13.258 1.00 62.12 O ATOM 1393 OE2 GLU A 88 -12.696 10.164 -12.733 1.00 11.01 O ATOM 0 H GLU A 88 -10.536 9.623 -8.676 1.00 50.45 H new ATOM 0 HA GLU A 88 -13.121 9.737 -9.788 1.00 42.12 H new ATOM 0 HB2 GLU A 88 -10.805 7.773 -9.688 1.00 71.12 H new ATOM 0 HB3 GLU A 88 -12.278 7.374 -10.551 1.00 71.12 H new ATOM 0 HG2 GLU A 88 -10.760 9.910 -11.193 1.00 61.15 H new ATOM 0 HG3 GLU A 88 -10.257 8.370 -11.860 1.00 61.15 H new ATOM 1400 N PRO A 89 -14.440 7.636 -8.852 1.00 25.21 N ATOM 1401 CA PRO A 89 -15.288 6.721 -8.102 1.00 61.21 C ATOM 1402 C PRO A 89 -14.611 5.369 -7.882 1.00 21.22 C ATOM 1403 O PRO A 89 -14.626 4.851 -6.766 1.00 23.24 O ATOM 1404 CB PRO A 89 -16.563 6.581 -8.934 1.00 14.30 C ATOM 1405 CG PRO A 89 -16.155 6.964 -10.356 1.00 64.24 C ATOM 1406 CD PRO A 89 -15.031 7.965 -10.141 1.00 2.41 C ATOM 0 HA PRO A 89 -15.497 7.101 -7.102 1.00 61.21 H new ATOM 0 HB2 PRO A 89 -16.949 5.562 -8.896 1.00 14.30 H new ATOM 0 HB3 PRO A 89 -17.351 7.235 -8.560 1.00 14.30 H new ATOM 0 HG2 PRO A 89 -15.818 6.097 -10.925 1.00 64.24 H new ATOM 0 HG3 PRO A 89 -16.986 7.404 -10.908 1.00 64.24 H new ATOM 0 HD2 PRO A 89 -14.291 7.897 -10.938 1.00 2.41 H new ATOM 0 HD3 PRO A 89 -15.412 8.986 -10.146 1.00 2.41 H new ATOM 1414 N LYS A 90 -14.066 4.777 -8.947 1.00 12.11 N ATOM 1415 CA LYS A 90 -13.582 3.393 -8.964 1.00 13.15 C ATOM 1416 C LYS A 90 -12.050 3.276 -8.887 1.00 34.35 C ATOM 1417 O LYS A 90 -11.529 2.168 -9.013 1.00 14.13 O ATOM 1418 CB LYS A 90 -14.135 2.686 -10.221 1.00 11.01 C ATOM 1419 CG LYS A 90 -15.366 1.831 -9.929 1.00 30.41 C ATOM 1420 CD LYS A 90 -16.690 2.584 -9.850 1.00 21.43 C ATOM 1421 CE LYS A 90 -17.206 2.579 -8.412 1.00 61.53 C ATOM 1422 NZ LYS A 90 -18.680 2.677 -8.361 1.00 21.15 N ATOM 0 H LYS A 90 -13.946 5.255 -9.840 1.00 12.11 H new ATOM 0 HA LYS A 90 -13.950 2.902 -8.063 1.00 13.15 H new ATOM 0 HB2 LYS A 90 -14.389 3.435 -10.971 1.00 11.01 H new ATOM 0 HB3 LYS A 90 -13.355 2.057 -10.650 1.00 11.01 H new ATOM 0 HG2 LYS A 90 -15.448 1.069 -10.704 1.00 30.41 H new ATOM 0 HG3 LYS A 90 -15.208 1.310 -8.985 1.00 30.41 H new ATOM 0 HD2 LYS A 90 -16.556 3.610 -10.194 1.00 21.43 H new ATOM 0 HD3 LYS A 90 -17.423 2.119 -10.510 1.00 21.43 H new ATOM 0 HE2 LYS A 90 -16.884 1.665 -7.913 1.00 61.53 H new ATOM 0 HE3 LYS A 90 -16.766 3.413 -7.864 1.00 61.53 H new ATOM 0 HZ1 LYS A 90 -18.994 2.671 -7.370 1.00 21.15 H new ATOM 0 HZ2 LYS A 90 -18.985 3.561 -8.815 1.00 21.15 H new ATOM 0 HZ3 LYS A 90 -19.099 1.868 -8.862 1.00 21.15 H new ATOM 1436 N HIS A 91 -11.334 4.386 -8.726 1.00 30.21 N ATOM 1437 CA HIS A 91 -9.890 4.539 -8.894 1.00 33.22 C ATOM 1438 C HIS A 91 -9.455 5.549 -7.828 1.00 52.44 C ATOM 1439 O HIS A 91 -9.888 6.698 -7.874 1.00 4.21 O ATOM 1440 CB HIS A 91 -9.675 5.019 -10.342 1.00 34.41 C ATOM 1441 CG HIS A 91 -8.286 5.298 -10.852 1.00 5.41 C ATOM 1442 ND1 HIS A 91 -8.030 5.847 -12.086 1.00 34.33 N ATOM 1443 CD2 HIS A 91 -7.079 4.981 -10.293 1.00 22.34 C ATOM 1444 CE1 HIS A 91 -6.708 5.821 -12.290 1.00 34.42 C ATOM 1445 NE2 HIS A 91 -6.086 5.294 -11.225 1.00 14.00 N ATOM 0 H HIS A 91 -11.778 5.264 -8.456 1.00 30.21 H new ATOM 0 HA HIS A 91 -9.300 3.633 -8.759 1.00 33.22 H new ATOM 0 HB2 HIS A 91 -10.115 4.269 -10.999 1.00 34.41 H new ATOM 0 HB3 HIS A 91 -10.255 5.933 -10.468 1.00 34.41 H new ATOM 0 HD2 HIS A 91 -6.922 4.564 -9.309 1.00 22.34 H new ATOM 0 HE1 HIS A 91 -6.213 6.173 -13.183 1.00 34.42 H new ATOM 0 HE2 HIS A 91 -5.082 5.150 -11.116 1.00 14.00 H new ATOM 1453 N LYS A 92 -8.672 5.146 -6.825 1.00 2.02 N ATOM 1454 CA LYS A 92 -8.283 6.015 -5.711 1.00 52.04 C ATOM 1455 C LYS A 92 -6.831 5.774 -5.395 1.00 43.35 C ATOM 1456 O LYS A 92 -6.454 4.742 -4.837 1.00 34.31 O ATOM 1457 CB LYS A 92 -9.174 5.833 -4.475 1.00 42.14 C ATOM 1458 CG LYS A 92 -10.484 6.598 -4.688 1.00 21.51 C ATOM 1459 CD LYS A 92 -11.466 6.419 -3.535 1.00 71.52 C ATOM 1460 CE LYS A 92 -12.573 7.460 -3.714 1.00 71.11 C ATOM 1461 NZ LYS A 92 -12.299 8.721 -3.003 1.00 71.45 N ATOM 0 H LYS A 92 -8.288 4.203 -6.762 1.00 2.02 H new ATOM 0 HA LYS A 92 -8.424 7.052 -6.015 1.00 52.04 H new ATOM 0 HB2 LYS A 92 -9.378 4.775 -4.311 1.00 42.14 H new ATOM 0 HB3 LYS A 92 -8.663 6.201 -3.585 1.00 42.14 H new ATOM 0 HG2 LYS A 92 -10.264 7.659 -4.811 1.00 21.51 H new ATOM 0 HG3 LYS A 92 -10.951 6.260 -5.613 1.00 21.51 H new ATOM 0 HD2 LYS A 92 -11.882 5.411 -3.538 1.00 71.52 H new ATOM 0 HD3 LYS A 92 -10.963 6.554 -2.577 1.00 71.52 H new ATOM 0 HE2 LYS A 92 -12.699 7.669 -4.776 1.00 71.11 H new ATOM 0 HE3 LYS A 92 -13.515 7.045 -3.356 1.00 71.11 H new ATOM 0 HZ1 LYS A 92 -13.109 8.961 -2.397 1.00 71.45 H new ATOM 0 HZ2 LYS A 92 -11.448 8.610 -2.415 1.00 71.45 H new ATOM 0 HZ3 LYS A 92 -12.146 9.483 -3.694 1.00 71.45 H new ATOM 1475 N ILE A 93 -6.029 6.752 -5.779 1.00 61.24 N ATOM 1476 CA ILE A 93 -4.592 6.764 -5.648 1.00 33.11 C ATOM 1477 C ILE A 93 -4.366 7.425 -4.293 1.00 52.41 C ATOM 1478 O ILE A 93 -4.449 8.649 -4.174 1.00 74.34 O ATOM 1479 CB ILE A 93 -3.990 7.484 -6.881 1.00 33.30 C ATOM 1480 CG1 ILE A 93 -4.578 6.879 -8.182 1.00 13.14 C ATOM 1481 CG2 ILE A 93 -2.462 7.372 -6.905 1.00 12.14 C ATOM 1482 CD1 ILE A 93 -4.068 7.510 -9.468 1.00 74.23 C ATOM 0 H ILE A 93 -6.388 7.602 -6.213 1.00 61.24 H new ATOM 0 HA ILE A 93 -4.092 5.795 -5.651 1.00 33.11 H new ATOM 0 HB ILE A 93 -4.251 8.540 -6.814 1.00 33.30 H new ATOM 0 HG12 ILE A 93 -4.353 5.813 -8.204 1.00 13.14 H new ATOM 0 HG13 ILE A 93 -5.663 6.976 -8.152 1.00 13.14 H new ATOM 0 HG21 ILE A 93 -2.073 7.888 -7.783 1.00 12.14 H new ATOM 0 HG22 ILE A 93 -2.050 7.827 -6.004 1.00 12.14 H new ATOM 0 HG23 ILE A 93 -2.175 6.321 -6.945 1.00 12.14 H new ATOM 0 HD11 ILE A 93 -4.535 7.021 -10.323 1.00 74.23 H new ATOM 0 HD12 ILE A 93 -4.316 8.571 -9.476 1.00 74.23 H new ATOM 0 HD13 ILE A 93 -2.986 7.390 -9.528 1.00 74.23 H new ATOM 1494 N PHE A 94 -4.258 6.604 -3.246 1.00 72.35 N ATOM 1495 CA PHE A 94 -3.996 7.045 -1.886 1.00 54.24 C ATOM 1496 C PHE A 94 -2.483 7.004 -1.758 1.00 32.44 C ATOM 1497 O PHE A 94 -1.881 5.933 -1.865 1.00 43.13 O ATOM 1498 CB PHE A 94 -4.721 6.132 -0.881 1.00 50.05 C ATOM 1499 CG PHE A 94 -4.457 6.406 0.597 1.00 51.34 C ATOM 1500 CD1 PHE A 94 -3.356 5.796 1.227 1.00 11.40 C ATOM 1501 CD2 PHE A 94 -5.292 7.264 1.351 1.00 74.43 C ATOM 1502 CE1 PHE A 94 -3.036 6.116 2.559 1.00 71.24 C ATOM 1503 CE2 PHE A 94 -4.969 7.583 2.689 1.00 2.42 C ATOM 1504 CZ PHE A 94 -3.825 7.025 3.279 1.00 12.03 C ATOM 0 H PHE A 94 -4.353 5.592 -3.329 1.00 72.35 H new ATOM 0 HA PHE A 94 -4.370 8.046 -1.671 1.00 54.24 H new ATOM 0 HB2 PHE A 94 -5.794 6.213 -1.057 1.00 50.05 H new ATOM 0 HB3 PHE A 94 -4.441 5.100 -1.093 1.00 50.05 H new ATOM 0 HD1 PHE A 94 -2.755 5.080 0.686 1.00 11.40 H new ATOM 0 HD2 PHE A 94 -6.182 7.678 0.901 1.00 74.43 H new ATOM 0 HE1 PHE A 94 -2.178 5.659 3.030 1.00 71.24 H new ATOM 0 HE2 PHE A 94 -5.600 8.253 3.255 1.00 2.42 H new ATOM 0 HZ PHE A 94 -3.552 7.296 4.288 1.00 12.03 H new ATOM 1514 N GLU A 95 -1.869 8.166 -1.575 1.00 64.33 N ATOM 1515 CA GLU A 95 -0.424 8.330 -1.489 1.00 45.31 C ATOM 1516 C GLU A 95 -0.112 8.816 -0.071 1.00 32.51 C ATOM 1517 O GLU A 95 -0.983 9.389 0.592 1.00 54.35 O ATOM 1518 CB GLU A 95 0.054 9.293 -2.591 1.00 52.02 C ATOM 1519 CG GLU A 95 -0.384 8.802 -3.983 1.00 33.51 C ATOM 1520 CD GLU A 95 0.257 9.561 -5.144 1.00 13.23 C ATOM 1521 OE1 GLU A 95 1.484 9.769 -5.122 1.00 72.35 O ATOM 1522 OE2 GLU A 95 -0.444 9.875 -6.135 1.00 64.33 O ATOM 0 H GLU A 95 -2.377 9.045 -1.480 1.00 64.33 H new ATOM 0 HA GLU A 95 0.113 7.397 -1.659 1.00 45.31 H new ATOM 0 HB2 GLU A 95 -0.351 10.289 -2.409 1.00 52.02 H new ATOM 0 HB3 GLU A 95 1.140 9.379 -2.557 1.00 52.02 H new ATOM 0 HG2 GLU A 95 -0.140 7.744 -4.076 1.00 33.51 H new ATOM 0 HG3 GLU A 95 -1.468 8.887 -4.062 1.00 33.51 H new ATOM 1529 N ALA A 96 1.092 8.566 0.431 1.00 1.12 N ATOM 1530 CA ALA A 96 1.577 9.173 1.657 1.00 44.01 C ATOM 1531 C ALA A 96 3.050 9.481 1.483 1.00 23.14 C ATOM 1532 O ALA A 96 3.763 8.761 0.777 1.00 13.41 O ATOM 1533 CB ALA A 96 1.373 8.246 2.863 1.00 51.42 C ATOM 0 H ALA A 96 1.760 7.932 -0.007 1.00 1.12 H new ATOM 0 HA ALA A 96 1.014 10.086 1.851 1.00 44.01 H new ATOM 0 HB1 ALA A 96 1.748 8.733 3.764 1.00 51.42 H new ATOM 0 HB2 ALA A 96 0.311 8.031 2.981 1.00 51.42 H new ATOM 0 HB3 ALA A 96 1.916 7.314 2.702 1.00 51.42 H new ATOM 1539 N GLY A 97 3.510 10.506 2.190 1.00 44.02 N ATOM 1540 CA GLY A 97 4.874 10.988 2.148 1.00 43.15 C ATOM 1541 C GLY A 97 4.822 12.502 2.122 1.00 2.00 C ATOM 1542 O GLY A 97 3.839 13.107 2.563 1.00 65.44 O ATOM 0 H GLY A 97 2.919 11.039 2.828 1.00 44.02 H new ATOM 0 HA2 GLY A 97 5.431 10.638 3.017 1.00 43.15 H new ATOM 0 HA3 GLY A 97 5.388 10.607 1.266 1.00 43.15 H new ATOM 1546 N TYR A 98 5.895 13.130 1.665 1.00 54.02 N ATOM 1547 CA TYR A 98 6.030 14.564 1.757 1.00 71.12 C ATOM 1548 C TYR A 98 5.163 15.292 0.732 1.00 14.30 C ATOM 1549 O TYR A 98 4.806 14.752 -0.313 1.00 64.33 O ATOM 1550 CB TYR A 98 7.510 14.909 1.616 1.00 72.42 C ATOM 1551 CG TYR A 98 8.271 14.751 2.916 1.00 62.35 C ATOM 1552 CD1 TYR A 98 7.887 15.534 4.013 1.00 13.03 C ATOM 1553 CD2 TYR A 98 9.340 13.848 3.051 1.00 74.53 C ATOM 1554 CE1 TYR A 98 8.544 15.438 5.243 1.00 22.30 C ATOM 1555 CE2 TYR A 98 10.043 13.773 4.264 1.00 4.21 C ATOM 1556 CZ TYR A 98 9.650 14.564 5.369 1.00 3.20 C ATOM 1557 OH TYR A 98 10.337 14.487 6.537 1.00 4.00 O ATOM 0 H TYR A 98 6.686 12.660 1.225 1.00 54.02 H new ATOM 0 HA TYR A 98 5.668 14.905 2.727 1.00 71.12 H new ATOM 0 HB2 TYR A 98 7.958 14.268 0.857 1.00 72.42 H new ATOM 0 HB3 TYR A 98 7.608 15.936 1.264 1.00 72.42 H new ATOM 0 HD1 TYR A 98 7.065 16.227 3.906 1.00 13.03 H new ATOM 0 HD2 TYR A 98 9.620 13.213 2.223 1.00 74.53 H new ATOM 0 HE1 TYR A 98 8.212 16.024 6.087 1.00 22.30 H new ATOM 0 HE2 TYR A 98 10.889 13.107 4.354 1.00 4.21 H new ATOM 0 HH TYR A 98 9.814 14.905 7.252 1.00 4.00 H new ATOM 1567 N GLU A 99 4.833 16.548 1.029 1.00 50.24 N ATOM 1568 CA GLU A 99 4.151 17.465 0.111 1.00 71.15 C ATOM 1569 C GLU A 99 5.132 18.019 -0.930 1.00 2.13 C ATOM 1570 O GLU A 99 4.719 18.609 -1.926 1.00 63.51 O ATOM 1571 CB GLU A 99 3.541 18.627 0.921 1.00 61.34 C ATOM 1572 CG GLU A 99 2.122 19.044 0.523 1.00 42.45 C ATOM 1573 CD GLU A 99 1.988 19.910 -0.738 1.00 45.25 C ATOM 1574 OE1 GLU A 99 2.021 21.159 -0.613 1.00 21.43 O ATOM 1575 OE2 GLU A 99 1.659 19.379 -1.821 1.00 50.15 O ATOM 0 H GLU A 99 5.036 16.968 1.936 1.00 50.24 H new ATOM 0 HA GLU A 99 3.364 16.923 -0.413 1.00 71.15 H new ATOM 0 HB2 GLU A 99 3.535 18.347 1.974 1.00 61.34 H new ATOM 0 HB3 GLU A 99 4.195 19.494 0.825 1.00 61.34 H new ATOM 0 HG2 GLU A 99 1.529 18.141 0.381 1.00 42.45 H new ATOM 0 HG3 GLU A 99 1.680 19.587 1.358 1.00 42.45 H new ATOM 1582 N GLU A 100 6.437 17.884 -0.668 1.00 31.22 N ATOM 1583 CA GLU A 100 7.502 18.590 -1.373 1.00 14.43 C ATOM 1584 C GLU A 100 8.694 17.679 -1.681 1.00 63.25 C ATOM 1585 O GLU A 100 9.643 18.117 -2.325 1.00 21.53 O ATOM 1586 CB GLU A 100 8.016 19.759 -0.517 1.00 1.11 C ATOM 1587 CG GLU A 100 6.957 20.546 0.264 1.00 65.11 C ATOM 1588 CD GLU A 100 7.575 21.808 0.853 1.00 22.14 C ATOM 1589 OE1 GLU A 100 7.652 22.816 0.114 1.00 45.12 O ATOM 1590 OE2 GLU A 100 7.963 21.823 2.043 1.00 10.21 O ATOM 0 H GLU A 100 6.786 17.262 0.061 1.00 31.22 H new ATOM 0 HA GLU A 100 7.074 18.946 -2.310 1.00 14.43 H new ATOM 0 HB2 GLU A 100 8.745 19.368 0.193 1.00 1.11 H new ATOM 0 HB3 GLU A 100 8.546 20.453 -1.169 1.00 1.11 H new ATOM 0 HG2 GLU A 100 6.129 20.810 -0.394 1.00 65.11 H new ATOM 0 HG3 GLU A 100 6.546 19.926 1.061 1.00 65.11 H new ATOM 1597 N SER A 101 8.682 16.437 -1.206 1.00 41.12 N ATOM 1598 CA SER A 101 9.763 15.467 -1.309 1.00 71.32 C ATOM 1599 C SER A 101 9.122 14.129 -1.695 1.00 45.24 C ATOM 1600 O SER A 101 7.989 14.137 -2.183 1.00 13.10 O ATOM 1601 CB SER A 101 10.562 15.415 0.003 1.00 13.30 C ATOM 1602 OG SER A 101 10.546 16.651 0.708 1.00 62.33 O ATOM 0 H SER A 101 7.872 16.062 -0.712 1.00 41.12 H new ATOM 0 HA SER A 101 10.491 15.740 -2.073 1.00 71.32 H new ATOM 0 HB2 SER A 101 10.152 14.632 0.642 1.00 13.30 H new ATOM 0 HB3 SER A 101 11.594 15.140 -0.216 1.00 13.30 H new ATOM 0 HG SER A 101 11.066 16.563 1.534 1.00 62.33 H new ATOM 1608 N GLU A 102 9.821 13.001 -1.557 1.00 50.01 N ATOM 1609 CA GLU A 102 9.293 11.751 -2.087 1.00 3.34 C ATOM 1610 C GLU A 102 8.124 11.188 -1.275 1.00 5.20 C ATOM 1611 O GLU A 102 7.941 11.478 -0.080 1.00 24.33 O ATOM 1612 CB GLU A 102 10.403 10.715 -2.291 1.00 51.02 C ATOM 1613 CG GLU A 102 10.926 10.721 -3.734 1.00 62.11 C ATOM 1614 CD GLU A 102 9.842 10.480 -4.794 1.00 42.02 C ATOM 1615 OE1 GLU A 102 8.771 9.939 -4.452 1.00 45.03 O ATOM 1616 OE2 GLU A 102 10.056 10.908 -5.952 1.00 65.35 O ATOM 0 H GLU A 102 10.728 12.930 -1.096 1.00 50.01 H new ATOM 0 HA GLU A 102 8.877 11.990 -3.066 1.00 3.34 H new ATOM 0 HB2 GLU A 102 11.225 10.922 -1.605 1.00 51.02 H new ATOM 0 HB3 GLU A 102 10.025 9.723 -2.045 1.00 51.02 H new ATOM 0 HG2 GLU A 102 11.405 11.680 -3.931 1.00 62.11 H new ATOM 0 HG3 GLU A 102 11.694 9.954 -3.834 1.00 62.11 H new ATOM 1623 N VAL A 103 7.357 10.335 -1.952 1.00 21.11 N ATOM 1624 CA VAL A 103 6.363 9.476 -1.338 1.00 24.10 C ATOM 1625 C VAL A 103 7.059 8.363 -0.556 1.00 25.33 C ATOM 1626 O VAL A 103 8.250 8.086 -0.723 1.00 64.32 O ATOM 1627 CB VAL A 103 5.391 8.910 -2.394 1.00 73.23 C ATOM 1628 CG1 VAL A 103 4.472 10.029 -2.891 1.00 42.35 C ATOM 1629 CG2 VAL A 103 6.099 8.230 -3.575 1.00 44.03 C ATOM 0 H VAL A 103 7.416 10.224 -2.964 1.00 21.11 H new ATOM 0 HA VAL A 103 5.766 10.064 -0.641 1.00 24.10 H new ATOM 0 HB VAL A 103 4.806 8.130 -1.907 1.00 73.23 H new ATOM 0 HG11 VAL A 103 3.785 9.631 -3.637 1.00 42.35 H new ATOM 0 HG12 VAL A 103 3.904 10.432 -2.053 1.00 42.35 H new ATOM 0 HG13 VAL A 103 5.072 10.822 -3.337 1.00 42.35 H new ATOM 0 HG21 VAL A 103 5.355 7.856 -4.278 1.00 44.03 H new ATOM 0 HG22 VAL A 103 6.743 8.952 -4.078 1.00 44.03 H new ATOM 0 HG23 VAL A 103 6.702 7.399 -3.208 1.00 44.03 H new ATOM 1639 N ASP A 104 6.288 7.685 0.285 1.00 10.13 N ATOM 1640 CA ASP A 104 6.737 6.591 1.138 1.00 51.44 C ATOM 1641 C ASP A 104 5.655 5.525 1.319 1.00 23.12 C ATOM 1642 O ASP A 104 5.832 4.555 2.054 1.00 62.32 O ATOM 1643 CB ASP A 104 7.186 7.174 2.479 1.00 74.53 C ATOM 1644 CG ASP A 104 8.383 6.417 3.040 1.00 42.14 C ATOM 1645 OD1 ASP A 104 9.367 6.187 2.295 1.00 21.44 O ATOM 1646 OD2 ASP A 104 8.381 6.121 4.250 1.00 2.44 O ATOM 0 H ASP A 104 5.295 7.890 0.396 1.00 10.13 H new ATOM 0 HA ASP A 104 7.577 6.085 0.661 1.00 51.44 H new ATOM 0 HB2 ASP A 104 7.445 8.225 2.352 1.00 74.53 H new ATOM 0 HB3 ASP A 104 6.361 7.132 3.190 1.00 74.53 H new ATOM 1651 N LEU A 105 4.517 5.685 0.643 1.00 53.40 N ATOM 1652 CA LEU A 105 3.448 4.699 0.523 1.00 64.34 C ATOM 1653 C LEU A 105 2.675 5.080 -0.741 1.00 11.34 C ATOM 1654 O LEU A 105 2.179 6.206 -0.820 1.00 30.24 O ATOM 1655 CB LEU A 105 2.545 4.754 1.776 1.00 51.11 C ATOM 1656 CG LEU A 105 1.580 3.561 1.944 1.00 62.33 C ATOM 1657 CD1 LEU A 105 2.282 2.331 2.529 1.00 74.50 C ATOM 1658 CD2 LEU A 105 0.462 3.921 2.929 1.00 74.10 C ATOM 0 H LEU A 105 4.308 6.548 0.141 1.00 53.40 H new ATOM 0 HA LEU A 105 3.827 3.679 0.452 1.00 64.34 H new ATOM 0 HB2 LEU A 105 3.180 4.814 2.660 1.00 51.11 H new ATOM 0 HB3 LEU A 105 1.959 5.673 1.742 1.00 51.11 H new ATOM 0 HG LEU A 105 1.195 3.338 0.949 1.00 62.33 H new ATOM 0 HD11 LEU A 105 1.565 1.516 2.630 1.00 74.50 H new ATOM 0 HD12 LEU A 105 3.090 2.023 1.865 1.00 74.50 H new ATOM 0 HD13 LEU A 105 2.691 2.577 3.509 1.00 74.50 H new ATOM 0 HD21 LEU A 105 -0.213 3.072 3.040 1.00 74.10 H new ATOM 0 HD22 LEU A 105 0.896 4.168 3.898 1.00 74.10 H new ATOM 0 HD23 LEU A 105 -0.094 4.779 2.551 1.00 74.10 H new ATOM 1670 N ARG A 106 2.552 4.203 -1.739 1.00 71.53 N ATOM 1671 CA ARG A 106 1.628 4.401 -2.867 1.00 61.22 C ATOM 1672 C ARG A 106 0.807 3.130 -2.953 1.00 65.30 C ATOM 1673 O ARG A 106 1.378 2.037 -2.927 1.00 21.41 O ATOM 1674 CB ARG A 106 2.314 4.724 -4.217 1.00 63.32 C ATOM 1675 CG ARG A 106 3.287 5.920 -4.187 1.00 34.21 C ATOM 1676 CD ARG A 106 2.922 7.039 -5.176 1.00 74.25 C ATOM 1677 NE ARG A 106 3.543 6.918 -6.510 1.00 45.43 N ATOM 1678 CZ ARG A 106 3.128 7.615 -7.581 1.00 52.33 C ATOM 1679 NH1 ARG A 106 2.170 8.524 -7.477 1.00 71.44 N ATOM 1680 NH2 ARG A 106 3.646 7.415 -8.782 1.00 5.34 N ATOM 0 H ARG A 106 3.087 3.336 -1.792 1.00 71.53 H new ATOM 0 HA ARG A 106 1.017 5.284 -2.680 1.00 61.22 H new ATOM 0 HB2 ARG A 106 2.859 3.841 -4.550 1.00 63.32 H new ATOM 0 HB3 ARG A 106 1.542 4.922 -4.961 1.00 63.32 H new ATOM 0 HG2 ARG A 106 3.311 6.332 -3.178 1.00 34.21 H new ATOM 0 HG3 ARG A 106 4.293 5.564 -4.410 1.00 34.21 H new ATOM 0 HD2 ARG A 106 1.839 7.058 -5.296 1.00 74.25 H new ATOM 0 HD3 ARG A 106 3.212 7.996 -4.742 1.00 74.25 H new ATOM 0 HE ARG A 106 4.325 6.274 -6.624 1.00 45.43 H new ATOM 0 HH11 ARG A 106 1.734 8.705 -6.573 1.00 71.44 H new ATOM 0 HH12 ARG A 106 1.868 9.043 -8.301 1.00 71.44 H new ATOM 0 HH21 ARG A 106 4.379 6.718 -8.912 1.00 5.34 H new ATOM 0 HH22 ARG A 106 3.312 7.958 -9.578 1.00 5.34 H new ATOM 1694 N VAL A 107 -0.516 3.260 -2.950 1.00 23.14 N ATOM 1695 CA VAL A 107 -1.429 2.146 -3.143 1.00 62.14 C ATOM 1696 C VAL A 107 -2.623 2.613 -3.976 1.00 13.21 C ATOM 1697 O VAL A 107 -2.958 3.802 -4.020 1.00 24.14 O ATOM 1698 CB VAL A 107 -1.875 1.519 -1.813 1.00 25.53 C ATOM 1699 CG1 VAL A 107 -0.735 0.800 -1.090 1.00 43.23 C ATOM 1700 CG2 VAL A 107 -2.504 2.557 -0.899 1.00 25.24 C ATOM 0 H VAL A 107 -0.987 4.154 -2.812 1.00 23.14 H new ATOM 0 HA VAL A 107 -0.903 1.358 -3.682 1.00 62.14 H new ATOM 0 HB VAL A 107 -2.625 0.769 -2.065 1.00 25.53 H new ATOM 0 HG11 VAL A 107 -1.106 0.376 -0.157 1.00 43.23 H new ATOM 0 HG12 VAL A 107 -0.349 0.001 -1.723 1.00 43.23 H new ATOM 0 HG13 VAL A 107 0.064 1.510 -0.874 1.00 43.23 H new ATOM 0 HG21 VAL A 107 -2.809 2.083 0.034 1.00 25.24 H new ATOM 0 HG22 VAL A 107 -1.778 3.342 -0.687 1.00 25.24 H new ATOM 0 HG23 VAL A 107 -3.376 2.991 -1.388 1.00 25.24 H new ATOM 1710 N GLU A 108 -3.303 1.673 -4.621 1.00 34.25 N ATOM 1711 CA GLU A 108 -4.388 1.917 -5.549 1.00 11.02 C ATOM 1712 C GLU A 108 -5.296 0.701 -5.476 1.00 71.22 C ATOM 1713 O GLU A 108 -4.802 -0.429 -5.423 1.00 0.33 O ATOM 1714 CB GLU A 108 -3.838 2.060 -6.967 1.00 70.34 C ATOM 1715 CG GLU A 108 -3.004 3.324 -7.188 1.00 11.11 C ATOM 1716 CD GLU A 108 -2.650 3.533 -8.657 1.00 22.31 C ATOM 1717 OE1 GLU A 108 -3.454 3.130 -9.532 1.00 53.34 O ATOM 1718 OE2 GLU A 108 -1.574 4.116 -8.932 1.00 2.03 O ATOM 0 H GLU A 108 -3.101 0.680 -4.503 1.00 34.25 H new ATOM 0 HA GLU A 108 -4.923 2.833 -5.298 1.00 11.02 H new ATOM 0 HB2 GLU A 108 -3.225 1.188 -7.197 1.00 70.34 H new ATOM 0 HB3 GLU A 108 -4.671 2.059 -7.670 1.00 70.34 H new ATOM 0 HG2 GLU A 108 -3.556 4.190 -6.823 1.00 11.11 H new ATOM 0 HG3 GLU A 108 -2.088 3.260 -6.601 1.00 11.11 H new ATOM 1725 N PHE A 109 -6.610 0.914 -5.465 1.00 33.15 N ATOM 1726 CA PHE A 109 -7.612 -0.132 -5.336 1.00 32.45 C ATOM 1727 C PHE A 109 -8.647 0.126 -6.427 1.00 51.34 C ATOM 1728 O PHE A 109 -9.338 1.144 -6.373 1.00 65.51 O ATOM 1729 CB PHE A 109 -8.258 -0.120 -3.933 1.00 75.24 C ATOM 1730 CG PHE A 109 -7.362 0.004 -2.700 1.00 54.43 C ATOM 1731 CD1 PHE A 109 -6.111 -0.635 -2.622 1.00 20.32 C ATOM 1732 CD2 PHE A 109 -7.810 0.739 -1.584 1.00 14.41 C ATOM 1733 CE1 PHE A 109 -5.292 -0.502 -1.487 1.00 34.34 C ATOM 1734 CE2 PHE A 109 -7.013 0.837 -0.429 1.00 55.03 C ATOM 1735 CZ PHE A 109 -5.744 0.240 -0.385 1.00 22.43 C ATOM 0 H PHE A 109 -7.014 1.847 -5.548 1.00 33.15 H new ATOM 0 HA PHE A 109 -7.163 -1.119 -5.451 1.00 32.45 H new ATOM 0 HB2 PHE A 109 -8.969 0.706 -3.906 1.00 75.24 H new ATOM 0 HB3 PHE A 109 -8.834 -1.040 -3.829 1.00 75.24 H new ATOM 0 HD1 PHE A 109 -5.773 -1.240 -3.451 1.00 20.32 H new ATOM 0 HD2 PHE A 109 -8.771 1.230 -1.616 1.00 14.41 H new ATOM 0 HE1 PHE A 109 -4.319 -0.969 -1.463 1.00 34.34 H new ATOM 0 HE2 PHE A 109 -7.381 1.376 0.431 1.00 55.03 H new ATOM 0 HZ PHE A 109 -5.120 0.351 0.490 1.00 22.43 H new ATOM 1745 N GLU A 110 -8.746 -0.740 -7.437 1.00 64.30 N ATOM 1746 CA GLU A 110 -9.687 -0.552 -8.537 1.00 2.33 C ATOM 1747 C GLU A 110 -10.806 -1.574 -8.438 1.00 71.42 C ATOM 1748 O GLU A 110 -10.565 -2.776 -8.260 1.00 24.35 O ATOM 1749 CB GLU A 110 -9.014 -0.636 -9.908 1.00 1.22 C ATOM 1750 CG GLU A 110 -8.119 0.574 -10.204 1.00 72.13 C ATOM 1751 CD GLU A 110 -7.421 0.478 -11.571 1.00 25.15 C ATOM 1752 OE1 GLU A 110 -7.158 -0.654 -12.046 1.00 73.41 O ATOM 1753 OE2 GLU A 110 -7.116 1.538 -12.159 1.00 52.13 O ATOM 0 H GLU A 110 -8.180 -1.585 -7.514 1.00 64.30 H new ATOM 0 HA GLU A 110 -10.096 0.454 -8.446 1.00 2.33 H new ATOM 0 HB2 GLU A 110 -8.416 -1.546 -9.959 1.00 1.22 H new ATOM 0 HB3 GLU A 110 -9.780 -0.714 -10.680 1.00 1.22 H new ATOM 0 HG2 GLU A 110 -8.721 1.482 -10.171 1.00 72.13 H new ATOM 0 HG3 GLU A 110 -7.365 0.663 -9.422 1.00 72.13 H new ATOM 1760 N LEU A 111 -12.038 -1.086 -8.579 1.00 21.21 N ATOM 1761 CA LEU A 111 -13.203 -1.974 -8.655 1.00 52.00 C ATOM 1762 C LEU A 111 -13.163 -2.716 -9.980 1.00 41.14 C ATOM 1763 O LEU A 111 -12.994 -2.094 -11.034 1.00 13.11 O ATOM 1764 CB LEU A 111 -14.519 -1.205 -8.517 1.00 72.13 C ATOM 1765 CG LEU A 111 -15.803 -1.983 -8.135 1.00 24.31 C ATOM 1766 CD1 LEU A 111 -16.797 -2.084 -9.286 1.00 4.03 C ATOM 1767 CD2 LEU A 111 -15.633 -3.339 -7.469 1.00 32.33 C ATOM 0 H LEU A 111 -12.257 -0.092 -8.643 1.00 21.21 H new ATOM 0 HA LEU A 111 -13.158 -2.679 -7.824 1.00 52.00 H new ATOM 0 HB2 LEU A 111 -14.370 -0.427 -7.768 1.00 72.13 H new ATOM 0 HB3 LEU A 111 -14.708 -0.702 -9.465 1.00 72.13 H new ATOM 0 HG LEU A 111 -16.206 -1.346 -7.348 1.00 24.31 H new ATOM 0 HD11 LEU A 111 -17.676 -2.639 -8.960 1.00 4.03 H new ATOM 0 HD12 LEU A 111 -17.095 -1.083 -9.598 1.00 4.03 H new ATOM 0 HD13 LEU A 111 -16.331 -2.602 -10.124 1.00 4.03 H new ATOM 0 HD21 LEU A 111 -16.613 -3.767 -7.259 1.00 32.33 H new ATOM 0 HD22 LEU A 111 -15.082 -4.004 -8.134 1.00 32.33 H new ATOM 0 HD23 LEU A 111 -15.082 -3.220 -6.536 1.00 32.33 H new ATOM 1779 N GLN A 112 -13.310 -4.035 -9.928 1.00 40.11 N ATOM 1780 CA GLN A 112 -13.457 -4.860 -11.113 1.00 41.23 C ATOM 1781 C GLN A 112 -14.936 -4.978 -11.454 1.00 11.02 C ATOM 1782 O GLN A 112 -15.778 -4.937 -10.561 1.00 23.54 O ATOM 1783 CB GLN A 112 -12.870 -6.251 -10.868 1.00 42.14 C ATOM 1784 CG GLN A 112 -11.384 -6.193 -10.495 1.00 11.44 C ATOM 1785 CD GLN A 112 -10.543 -5.411 -11.503 1.00 22.11 C ATOM 1786 OE1 GLN A 112 -10.595 -5.661 -12.706 1.00 51.41 O ATOM 1787 NE2 GLN A 112 -9.760 -4.449 -11.047 1.00 22.11 N ATOM 0 H GLN A 112 -13.330 -4.562 -9.055 1.00 40.11 H new ATOM 0 HA GLN A 112 -12.921 -4.399 -11.942 1.00 41.23 H new ATOM 0 HB2 GLN A 112 -13.425 -6.742 -10.069 1.00 42.14 H new ATOM 0 HB3 GLN A 112 -12.995 -6.860 -11.764 1.00 42.14 H new ATOM 0 HG2 GLN A 112 -11.280 -5.735 -9.511 1.00 11.44 H new ATOM 0 HG3 GLN A 112 -10.995 -7.208 -10.417 1.00 11.44 H new ATOM 0 HE21 GLN A 112 -9.725 -4.251 -10.047 1.00 22.11 H new ATOM 0 HE22 GLN A 112 -9.191 -3.905 -11.695 1.00 22.11 H new ATOM 1796 N ALA A 113 -15.256 -5.246 -12.718 1.00 13.24 N ATOM 1797 CA ALA A 113 -16.608 -5.591 -13.146 1.00 11.41 C ATOM 1798 C ALA A 113 -17.144 -6.841 -12.428 1.00 72.24 C ATOM 1799 O ALA A 113 -18.358 -6.992 -12.278 1.00 44.21 O ATOM 1800 CB ALA A 113 -16.587 -5.791 -14.656 1.00 52.43 C ATOM 0 H ALA A 113 -14.578 -5.229 -13.480 1.00 13.24 H new ATOM 0 HA ALA A 113 -17.286 -4.780 -12.881 1.00 11.41 H new ATOM 0 HB1 ALA A 113 -17.587 -6.050 -15.003 1.00 52.43 H new ATOM 0 HB2 ALA A 113 -16.262 -4.870 -15.141 1.00 52.43 H new ATOM 0 HB3 ALA A 113 -15.896 -6.596 -14.907 1.00 52.43 H new ATOM 1806 N ASP A 114 -16.244 -7.688 -11.909 1.00 12.42 N ATOM 1807 CA ASP A 114 -16.551 -8.800 -11.010 1.00 24.42 C ATOM 1808 C ASP A 114 -17.334 -8.331 -9.778 1.00 13.11 C ATOM 1809 O ASP A 114 -18.051 -9.124 -9.171 1.00 54.31 O ATOM 1810 CB ASP A 114 -15.243 -9.483 -10.573 1.00 52.41 C ATOM 1811 CG ASP A 114 -15.478 -10.656 -9.606 1.00 2.41 C ATOM 1812 OD1 ASP A 114 -16.159 -11.636 -9.985 1.00 51.40 O ATOM 1813 OD2 ASP A 114 -14.943 -10.631 -8.474 1.00 52.04 O ATOM 0 H ASP A 114 -15.248 -7.611 -12.113 1.00 12.42 H new ATOM 0 HA ASP A 114 -17.178 -9.510 -11.549 1.00 24.42 H new ATOM 0 HB2 ASP A 114 -14.715 -9.845 -11.455 1.00 52.41 H new ATOM 0 HB3 ASP A 114 -14.596 -8.747 -10.094 1.00 52.41 H new ATOM 1818 N GLY A 115 -17.257 -7.047 -9.408 1.00 2.05 N ATOM 1819 CA GLY A 115 -17.946 -6.476 -8.270 1.00 51.01 C ATOM 1820 C GLY A 115 -17.064 -6.465 -7.033 1.00 53.20 C ATOM 1821 O GLY A 115 -17.423 -5.812 -6.057 1.00 75.10 O ATOM 0 H GLY A 115 -16.693 -6.365 -9.915 1.00 2.05 H new ATOM 0 HA2 GLY A 115 -18.257 -5.458 -8.505 1.00 51.01 H new ATOM 0 HA3 GLY A 115 -18.852 -7.048 -8.067 1.00 51.01 H new ATOM 1825 N LYS A 116 -15.908 -7.136 -7.058 1.00 40.02 N ATOM 1826 CA LYS A 116 -14.915 -6.999 -6.005 1.00 23.42 C ATOM 1827 C LYS A 116 -13.944 -5.907 -6.367 1.00 2.04 C ATOM 1828 O LYS A 116 -13.552 -5.760 -7.528 1.00 2.31 O ATOM 1829 CB LYS A 116 -14.122 -8.286 -5.819 1.00 55.31 C ATOM 1830 CG LYS A 116 -15.023 -9.356 -5.221 1.00 14.14 C ATOM 1831 CD LYS A 116 -14.146 -10.495 -4.732 1.00 61.12 C ATOM 1832 CE LYS A 116 -15.052 -11.619 -4.248 1.00 24.15 C ATOM 1833 NZ LYS A 116 -14.292 -12.863 -4.052 1.00 52.12 N ATOM 0 H LYS A 116 -15.643 -7.781 -7.803 1.00 40.02 H new ATOM 0 HA LYS A 116 -15.444 -6.765 -5.081 1.00 23.42 H new ATOM 0 HB2 LYS A 116 -13.726 -8.623 -6.777 1.00 55.31 H new ATOM 0 HB3 LYS A 116 -13.268 -8.108 -5.166 1.00 55.31 H new ATOM 0 HG2 LYS A 116 -15.607 -8.945 -4.397 1.00 14.14 H new ATOM 0 HG3 LYS A 116 -15.733 -9.715 -5.966 1.00 14.14 H new ATOM 0 HD2 LYS A 116 -13.498 -10.848 -5.535 1.00 61.12 H new ATOM 0 HD3 LYS A 116 -13.497 -10.156 -3.925 1.00 61.12 H new ATOM 0 HE2 LYS A 116 -15.529 -11.329 -3.312 1.00 24.15 H new ATOM 0 HE3 LYS A 116 -15.849 -11.786 -4.973 1.00 24.15 H new ATOM 0 HZ1 LYS A 116 -14.933 -13.613 -3.722 1.00 52.12 H new ATOM 0 HZ2 LYS A 116 -13.858 -13.150 -4.952 1.00 52.12 H new ATOM 0 HZ3 LYS A 116 -13.548 -12.707 -3.343 1.00 52.12 H new ATOM 1847 N TRP A 117 -13.487 -5.198 -5.348 1.00 2.43 N ATOM 1848 CA TRP A 117 -12.312 -4.364 -5.483 1.00 35.32 C ATOM 1849 C TRP A 117 -11.112 -5.293 -5.478 1.00 74.12 C ATOM 1850 O TRP A 117 -11.094 -6.310 -4.782 1.00 20.55 O ATOM 1851 CB TRP A 117 -12.275 -3.322 -4.369 1.00 12.33 C ATOM 1852 CG TRP A 117 -13.488 -2.440 -4.348 1.00 55.34 C ATOM 1853 CD1 TRP A 117 -14.700 -2.805 -3.874 1.00 53.02 C ATOM 1854 CD2 TRP A 117 -13.659 -1.083 -4.863 1.00 1.35 C ATOM 1855 NE1 TRP A 117 -15.617 -1.819 -4.150 1.00 54.44 N ATOM 1856 CE2 TRP A 117 -15.034 -0.723 -4.735 1.00 23.31 C ATOM 1857 CE3 TRP A 117 -12.807 -0.122 -5.445 1.00 10.44 C ATOM 1858 CZ2 TRP A 117 -15.546 0.508 -5.167 1.00 42.24 C ATOM 1859 CZ3 TRP A 117 -13.310 1.121 -5.876 1.00 61.40 C ATOM 1860 CH2 TRP A 117 -14.669 1.445 -5.732 1.00 71.30 C ATOM 0 H TRP A 117 -13.913 -5.185 -4.421 1.00 2.43 H new ATOM 0 HA TRP A 117 -12.315 -3.795 -6.413 1.00 35.32 H new ATOM 0 HB2 TRP A 117 -12.185 -3.829 -3.408 1.00 12.33 H new ATOM 0 HB3 TRP A 117 -11.385 -2.703 -4.488 1.00 12.33 H new ATOM 0 HD1 TRP A 117 -14.915 -3.729 -3.358 1.00 53.02 H new ATOM 0 HE1 TRP A 117 -16.613 -1.893 -3.944 1.00 54.44 H new ATOM 0 HE3 TRP A 117 -11.756 -0.342 -5.562 1.00 10.44 H new ATOM 0 HZ2 TRP A 117 -16.598 0.731 -5.066 1.00 42.24 H new ATOM 0 HZ3 TRP A 117 -12.639 1.838 -6.325 1.00 61.40 H new ATOM 0 HH2 TRP A 117 -15.036 2.408 -6.054 1.00 71.30 H new ATOM 1871 N TYR A 118 -10.123 -4.945 -6.283 1.00 31.42 N ATOM 1872 CA TYR A 118 -8.846 -5.611 -6.354 1.00 14.22 C ATOM 1873 C TYR A 118 -7.833 -4.504 -6.095 1.00 64.34 C ATOM 1874 O TYR A 118 -7.901 -3.436 -6.707 1.00 72.53 O ATOM 1875 CB TYR A 118 -8.661 -6.227 -7.745 1.00 61.21 C ATOM 1876 CG TYR A 118 -9.125 -7.668 -7.923 1.00 34.43 C ATOM 1877 CD1 TYR A 118 -10.471 -8.072 -7.778 1.00 21.53 C ATOM 1878 CD2 TYR A 118 -8.174 -8.621 -8.312 1.00 3.35 C ATOM 1879 CE1 TYR A 118 -10.850 -9.409 -8.045 1.00 51.14 C ATOM 1880 CE2 TYR A 118 -8.527 -9.949 -8.553 1.00 60.14 C ATOM 1881 CZ TYR A 118 -9.871 -10.355 -8.444 1.00 41.40 C ATOM 1882 OH TYR A 118 -10.191 -11.637 -8.776 1.00 64.11 O ATOM 0 H TYR A 118 -10.197 -4.159 -6.928 1.00 31.42 H new ATOM 0 HA TYR A 118 -8.743 -6.428 -5.640 1.00 14.22 H new ATOM 0 HB2 TYR A 118 -9.194 -5.607 -8.465 1.00 61.21 H new ATOM 0 HB3 TYR A 118 -7.603 -6.176 -8.002 1.00 61.21 H new ATOM 0 HD1 TYR A 118 -11.215 -7.356 -7.461 1.00 21.53 H new ATOM 0 HD2 TYR A 118 -7.143 -8.320 -8.428 1.00 3.35 H new ATOM 0 HE1 TYR A 118 -11.883 -9.709 -7.945 1.00 51.14 H new ATOM 0 HE2 TYR A 118 -7.768 -10.668 -8.824 1.00 60.14 H new ATOM 0 HH TYR A 118 -9.377 -12.124 -9.022 1.00 64.11 H new ATOM 1892 N VAL A 119 -6.894 -4.740 -5.189 1.00 55.21 N ATOM 1893 CA VAL A 119 -5.725 -3.892 -5.046 1.00 0.04 C ATOM 1894 C VAL A 119 -4.915 -3.994 -6.334 1.00 64.52 C ATOM 1895 O VAL A 119 -4.734 -5.098 -6.850 1.00 44.31 O ATOM 1896 CB VAL A 119 -4.928 -4.344 -3.815 1.00 22.21 C ATOM 1897 CG1 VAL A 119 -3.654 -3.518 -3.644 1.00 3.35 C ATOM 1898 CG2 VAL A 119 -5.796 -4.238 -2.554 1.00 61.42 C ATOM 0 H VAL A 119 -6.923 -5.523 -4.536 1.00 55.21 H new ATOM 0 HA VAL A 119 -5.996 -2.848 -4.890 1.00 0.04 H new ATOM 0 HB VAL A 119 -4.639 -5.384 -3.966 1.00 22.21 H new ATOM 0 HG11 VAL A 119 -3.112 -3.863 -2.763 1.00 3.35 H new ATOM 0 HG12 VAL A 119 -3.024 -3.634 -4.526 1.00 3.35 H new ATOM 0 HG13 VAL A 119 -3.916 -2.467 -3.520 1.00 3.35 H new ATOM 0 HG21 VAL A 119 -5.220 -4.561 -1.687 1.00 61.42 H new ATOM 0 HG22 VAL A 119 -6.111 -3.204 -2.415 1.00 61.42 H new ATOM 0 HG23 VAL A 119 -6.675 -4.873 -2.663 1.00 61.42 H new ATOM 1908 N VAL A 120 -4.411 -2.871 -6.838 1.00 55.20 N ATOM 1909 CA VAL A 120 -3.635 -2.808 -8.068 1.00 23.53 C ATOM 1910 C VAL A 120 -2.246 -2.214 -7.814 1.00 20.32 C ATOM 1911 O VAL A 120 -1.506 -2.041 -8.775 1.00 63.13 O ATOM 1912 CB VAL A 120 -4.422 -2.081 -9.188 1.00 0.14 C ATOM 1913 CG1 VAL A 120 -5.846 -2.622 -9.363 1.00 52.24 C ATOM 1914 CG2 VAL A 120 -4.560 -0.568 -8.998 1.00 11.02 C ATOM 0 H VAL A 120 -4.534 -1.962 -6.392 1.00 55.20 H new ATOM 0 HA VAL A 120 -3.468 -3.823 -8.428 1.00 23.53 H new ATOM 0 HB VAL A 120 -3.809 -2.280 -10.067 1.00 0.14 H new ATOM 0 HG11 VAL A 120 -6.348 -2.074 -10.161 1.00 52.24 H new ATOM 0 HG12 VAL A 120 -5.804 -3.680 -9.620 1.00 52.24 H new ATOM 0 HG13 VAL A 120 -6.400 -2.496 -8.433 1.00 52.24 H new ATOM 0 HG21 VAL A 120 -5.125 -0.147 -9.830 1.00 11.02 H new ATOM 0 HG22 VAL A 120 -5.084 -0.365 -8.064 1.00 11.02 H new ATOM 0 HG23 VAL A 120 -3.570 -0.114 -8.965 1.00 11.02 H new ATOM 1924 N ASP A 121 -1.857 -1.937 -6.560 1.00 63.31 N ATOM 1925 CA ASP A 121 -0.565 -1.322 -6.258 1.00 75.42 C ATOM 1926 C ASP A 121 -0.007 -1.713 -4.889 1.00 4.42 C ATOM 1927 O ASP A 121 -0.772 -2.085 -3.996 1.00 21.51 O ATOM 1928 CB ASP A 121 -0.660 0.203 -6.355 1.00 11.31 C ATOM 1929 CG ASP A 121 0.723 0.826 -6.500 1.00 1.03 C ATOM 1930 OD1 ASP A 121 1.634 0.104 -6.969 1.00 22.22 O ATOM 1931 OD2 ASP A 121 0.861 2.029 -6.205 1.00 65.54 O ATOM 0 H ASP A 121 -2.427 -2.133 -5.737 1.00 63.31 H new ATOM 0 HA ASP A 121 0.129 -1.705 -7.006 1.00 75.42 H new ATOM 0 HB2 ASP A 121 -1.279 0.479 -7.209 1.00 11.31 H new ATOM 0 HB3 ASP A 121 -1.150 0.598 -5.465 1.00 11.31 H new ATOM 1936 N CYS A 122 1.319 -1.627 -4.734 1.00 24.15 N ATOM 1937 CA CYS A 122 2.070 -1.752 -3.485 1.00 31.14 C ATOM 1938 C CYS A 122 3.425 -1.046 -3.646 1.00 35.13 C ATOM 1939 O CYS A 122 4.355 -1.681 -4.159 1.00 51.31 O ATOM 1940 CB CYS A 122 2.263 -3.252 -3.160 1.00 2.04 C ATOM 1941 SG CYS A 122 3.404 -3.573 -1.777 1.00 64.52 S ATOM 0 H CYS A 122 1.933 -1.457 -5.530 1.00 24.15 H new ATOM 0 HA CYS A 122 1.528 -1.285 -2.662 1.00 31.14 H new ATOM 0 HB2 CYS A 122 1.293 -3.690 -2.925 1.00 2.04 H new ATOM 0 HB3 CYS A 122 2.635 -3.760 -4.049 1.00 2.04 H new ATOM 0 HG CYS A 122 3.498 -4.855 -1.581 1.00 64.52 H new ATOM 1947 N TYR A 123 3.567 0.194 -3.171 1.00 30.14 N ATOM 1948 CA TYR A 123 4.857 0.836 -2.890 1.00 50.11 C ATOM 1949 C TYR A 123 4.884 1.227 -1.413 1.00 12.23 C ATOM 1950 O TYR A 123 3.833 1.505 -0.821 1.00 23.15 O ATOM 1951 CB TYR A 123 5.060 2.070 -3.778 1.00 52.11 C ATOM 1952 CG TYR A 123 6.312 2.893 -3.503 1.00 32.43 C ATOM 1953 CD1 TYR A 123 7.539 2.533 -4.089 1.00 70.13 C ATOM 1954 CD2 TYR A 123 6.252 4.031 -2.671 1.00 51.22 C ATOM 1955 CE1 TYR A 123 8.703 3.276 -3.818 1.00 32.25 C ATOM 1956 CE2 TYR A 123 7.410 4.783 -2.399 1.00 53.40 C ATOM 1957 CZ TYR A 123 8.649 4.395 -2.956 1.00 25.13 C ATOM 1958 OH TYR A 123 9.784 5.109 -2.714 1.00 45.32 O ATOM 0 H TYR A 123 2.769 0.796 -2.966 1.00 30.14 H new ATOM 0 HA TYR A 123 5.669 0.142 -3.109 1.00 50.11 H new ATOM 0 HB2 TYR A 123 5.085 1.744 -4.818 1.00 52.11 H new ATOM 0 HB3 TYR A 123 4.191 2.719 -3.668 1.00 52.11 H new ATOM 0 HD1 TYR A 123 7.588 1.681 -4.751 1.00 70.13 H new ATOM 0 HD2 TYR A 123 5.308 4.328 -2.239 1.00 51.22 H new ATOM 0 HE1 TYR A 123 9.641 2.990 -4.270 1.00 32.25 H new ATOM 0 HE2 TYR A 123 7.352 5.656 -1.765 1.00 53.40 H new ATOM 0 HH TYR A 123 9.582 5.848 -2.103 1.00 45.32 H new ATOM 1968 N THR A 124 6.066 1.237 -0.805 1.00 33.21 N ATOM 1969 CA THR A 124 6.274 1.464 0.617 1.00 11.05 C ATOM 1970 C THR A 124 7.717 1.921 0.835 1.00 44.01 C ATOM 1971 O THR A 124 8.617 1.538 0.079 1.00 23.23 O ATOM 1972 CB THR A 124 5.947 0.164 1.394 1.00 40.34 C ATOM 1973 OG1 THR A 124 6.423 0.205 2.719 1.00 2.43 O ATOM 1974 CG2 THR A 124 6.519 -1.107 0.744 1.00 33.33 C ATOM 0 H THR A 124 6.938 1.081 -1.311 1.00 33.21 H new ATOM 0 HA THR A 124 5.612 2.245 0.991 1.00 11.05 H new ATOM 0 HB THR A 124 4.858 0.115 1.374 1.00 40.34 H new ATOM 0 HG1 THR A 124 5.760 -0.198 3.318 1.00 2.43 H new ATOM 0 HG21 THR A 124 6.249 -1.976 1.344 1.00 33.33 H new ATOM 0 HG22 THR A 124 6.109 -1.218 -0.260 1.00 33.33 H new ATOM 0 HG23 THR A 124 7.605 -1.029 0.686 1.00 33.33 H new ATOM 1982 N GLY A 125 7.943 2.677 1.910 1.00 51.01 N ATOM 1983 CA GLY A 125 9.248 3.091 2.383 1.00 30.32 C ATOM 1984 C GLY A 125 10.136 1.907 2.740 1.00 71.44 C ATOM 1985 O GLY A 125 11.350 2.023 2.570 1.00 43.41 O ATOM 0 H GLY A 125 7.184 3.028 2.494 1.00 51.01 H new ATOM 0 HA2 GLY A 125 9.737 3.690 1.615 1.00 30.32 H new ATOM 0 HA3 GLY A 125 9.129 3.730 3.258 1.00 30.32 H new ATOM 1989 N TRP A 126 9.557 0.751 3.114 1.00 21.11 N ATOM 1990 CA TRP A 126 10.284 -0.507 3.305 1.00 71.34 C ATOM 1991 C TRP A 126 11.172 -0.821 2.108 1.00 53.41 C ATOM 1992 O TRP A 126 12.227 -1.436 2.227 1.00 14.23 O ATOM 1993 CB TRP A 126 9.327 -1.691 3.401 1.00 1.24 C ATOM 1994 CG TRP A 126 8.669 -1.880 4.724 1.00 20.32 C ATOM 1995 CD1 TRP A 126 7.341 -1.984 4.920 1.00 72.54 C ATOM 1996 CD2 TRP A 126 9.273 -1.954 6.050 1.00 54.44 C ATOM 1997 NE1 TRP A 126 7.086 -2.160 6.260 1.00 15.05 N ATOM 1998 CE2 TRP A 126 8.239 -2.151 7.008 1.00 51.33 C ATOM 1999 CE3 TRP A 126 10.580 -1.817 6.553 1.00 52.22 C ATOM 2000 CZ2 TRP A 126 8.496 -2.219 8.384 1.00 15.44 C ATOM 2001 CZ3 TRP A 126 10.853 -1.892 7.925 1.00 35.13 C ATOM 2002 CH2 TRP A 126 9.816 -2.107 8.850 1.00 0.44 C ATOM 0 H TRP A 126 8.556 0.669 3.293 1.00 21.11 H new ATOM 0 HA TRP A 126 10.863 -0.374 4.219 1.00 71.34 H new ATOM 0 HB2 TRP A 126 8.552 -1.572 2.644 1.00 1.24 H new ATOM 0 HB3 TRP A 126 9.876 -2.600 3.155 1.00 1.24 H new ATOM 0 HD1 TRP A 126 6.591 -1.937 4.144 1.00 72.54 H new ATOM 0 HE1 TRP A 126 6.152 -2.283 6.652 1.00 15.05 H new ATOM 0 HE3 TRP A 126 11.394 -1.650 5.863 1.00 52.22 H new ATOM 0 HZ2 TRP A 126 7.684 -2.357 9.082 1.00 15.44 H new ATOM 0 HZ3 TRP A 126 11.869 -1.784 8.275 1.00 35.13 H new ATOM 0 HH2 TRP A 126 10.032 -2.185 9.905 1.00 0.44 H new ATOM 2013 N TYR A 127 10.677 -0.489 0.919 1.00 63.32 N ATOM 2014 CA TYR A 127 11.318 -0.824 -0.328 1.00 13.21 C ATOM 2015 C TYR A 127 11.277 0.428 -1.206 1.00 43.40 C ATOM 2016 O TYR A 127 10.860 0.372 -2.368 1.00 21.45 O ATOM 2017 CB TYR A 127 10.635 -2.053 -0.938 1.00 60.31 C ATOM 2018 CG TYR A 127 10.410 -3.228 -0.004 1.00 13.45 C ATOM 2019 CD1 TYR A 127 11.491 -3.849 0.647 1.00 44.34 C ATOM 2020 CD2 TYR A 127 9.114 -3.747 0.158 1.00 62.12 C ATOM 2021 CE1 TYR A 127 11.285 -4.981 1.453 1.00 51.23 C ATOM 2022 CE2 TYR A 127 8.906 -4.914 0.910 1.00 51.14 C ATOM 2023 CZ TYR A 127 9.991 -5.534 1.566 1.00 41.03 C ATOM 2024 OH TYR A 127 9.790 -6.673 2.279 1.00 1.02 O ATOM 0 H TYR A 127 9.805 0.028 0.804 1.00 63.32 H new ATOM 0 HA TYR A 127 12.363 -1.108 -0.206 1.00 13.21 H new ATOM 0 HB2 TYR A 127 9.670 -1.744 -1.339 1.00 60.31 H new ATOM 0 HB3 TYR A 127 11.235 -2.395 -1.781 1.00 60.31 H new ATOM 0 HD1 TYR A 127 12.488 -3.452 0.526 1.00 44.34 H new ATOM 0 HD2 TYR A 127 8.274 -3.245 -0.299 1.00 62.12 H new ATOM 0 HE1 TYR A 127 12.113 -5.426 1.984 1.00 51.23 H new ATOM 0 HE2 TYR A 127 7.915 -5.338 0.987 1.00 51.14 H new ATOM 0 HH TYR A 127 9.275 -7.309 1.740 1.00 1.02 H new ATOM 2034 N GLY A 128 11.615 1.567 -0.600 1.00 23.34 N ATOM 2035 CA GLY A 128 11.616 2.885 -1.202 1.00 32.22 C ATOM 2036 C GLY A 128 13.043 3.401 -1.300 1.00 50.40 C ATOM 2037 O GLY A 128 14.007 2.649 -1.137 1.00 34.15 O ATOM 0 H GLY A 128 11.910 1.587 0.376 1.00 23.34 H new ATOM 0 HA2 GLY A 128 11.165 2.843 -2.193 1.00 32.22 H new ATOM 0 HA3 GLY A 128 11.012 3.569 -0.606 1.00 32.22 H new ATOM 2041 N TYR A 129 13.197 4.696 -1.562 1.00 73.41 N ATOM 2042 CA TYR A 129 14.483 5.350 -1.797 1.00 5.41 C ATOM 2043 C TYR A 129 15.312 5.541 -0.502 1.00 34.12 C ATOM 2044 O TYR A 129 16.126 6.461 -0.401 1.00 30.14 O ATOM 2045 CB TYR A 129 14.240 6.675 -2.528 1.00 70.15 C ATOM 2046 CG TYR A 129 14.095 6.565 -4.040 1.00 41.13 C ATOM 2047 CD1 TYR A 129 13.015 5.861 -4.602 1.00 34.34 C ATOM 2048 CD2 TYR A 129 15.027 7.193 -4.893 1.00 73.44 C ATOM 2049 CE1 TYR A 129 12.830 5.831 -5.993 1.00 1.21 C ATOM 2050 CE2 TYR A 129 14.862 7.150 -6.291 1.00 65.14 C ATOM 2051 CZ TYR A 129 13.750 6.476 -6.846 1.00 11.23 C ATOM 2052 OH TYR A 129 13.531 6.449 -8.187 1.00 33.31 O ATOM 0 H TYR A 129 12.407 5.339 -1.619 1.00 73.41 H new ATOM 0 HA TYR A 129 15.091 4.698 -2.424 1.00 5.41 H new ATOM 0 HB2 TYR A 129 13.337 7.133 -2.125 1.00 70.15 H new ATOM 0 HB3 TYR A 129 15.066 7.350 -2.307 1.00 70.15 H new ATOM 0 HD1 TYR A 129 12.322 5.339 -3.958 1.00 34.34 H new ATOM 0 HD2 TYR A 129 15.875 7.711 -4.470 1.00 73.44 H new ATOM 0 HE1 TYR A 129 11.980 5.312 -6.412 1.00 1.21 H new ATOM 0 HE2 TYR A 129 15.582 7.630 -6.937 1.00 65.14 H new ATOM 0 HH TYR A 129 14.151 7.064 -8.632 1.00 33.31 H new ATOM 2062 N ASP A 130 15.138 4.685 0.499 1.00 21.24 N ATOM 2063 CA ASP A 130 15.758 4.806 1.825 1.00 12.02 C ATOM 2064 C ASP A 130 16.903 3.813 2.017 1.00 2.34 C ATOM 2065 O ASP A 130 17.857 4.102 2.747 1.00 61.41 O ATOM 2066 CB ASP A 130 14.716 4.626 2.932 1.00 2.31 C ATOM 2067 CG ASP A 130 15.351 4.936 4.291 1.00 53.20 C ATOM 2068 OD1 ASP A 130 15.606 6.127 4.577 1.00 34.32 O ATOM 2069 OD2 ASP A 130 15.635 4.007 5.068 1.00 61.42 O ATOM 0 H ASP A 130 14.544 3.860 0.413 1.00 21.24 H new ATOM 0 HA ASP A 130 16.176 5.811 1.889 1.00 12.02 H new ATOM 0 HB2 ASP A 130 13.867 5.287 2.757 1.00 2.31 H new ATOM 0 HB3 ASP A 130 14.333 3.605 2.922 1.00 2.31 H new ATOM 2074 N LEU A 131 16.895 2.695 1.281 1.00 5.01 N ATOM 2075 CA LEU A 131 17.957 1.693 1.324 1.00 54.40 C ATOM 2076 C LEU A 131 18.474 1.389 -0.090 1.00 14.23 C ATOM 2077 O LEU A 131 17.683 1.369 -1.038 1.00 33.35 O ATOM 2078 CB LEU A 131 17.456 0.384 1.968 1.00 62.32 C ATOM 2079 CG LEU A 131 17.647 0.177 3.488 1.00 41.30 C ATOM 2080 CD1 LEU A 131 19.014 0.579 4.063 1.00 52.42 C ATOM 2081 CD2 LEU A 131 16.572 0.897 4.284 1.00 15.03 C ATOM 0 H LEU A 131 16.142 2.462 0.634 1.00 5.01 H new ATOM 0 HA LEU A 131 18.768 2.102 1.927 1.00 54.40 H new ATOM 0 HB2 LEU A 131 16.390 0.299 1.755 1.00 62.32 H new ATOM 0 HB3 LEU A 131 17.949 -0.444 1.458 1.00 62.32 H new ATOM 0 HG LEU A 131 17.574 -0.905 3.594 1.00 41.30 H new ATOM 0 HD11 LEU A 131 19.028 0.388 5.136 1.00 52.42 H new ATOM 0 HD12 LEU A 131 19.798 -0.005 3.580 1.00 52.42 H new ATOM 0 HD13 LEU A 131 19.188 1.640 3.881 1.00 52.42 H new ATOM 0 HD21 LEU A 131 16.735 0.731 5.349 1.00 15.03 H new ATOM 0 HD22 LEU A 131 16.616 1.965 4.072 1.00 15.03 H new ATOM 0 HD23 LEU A 131 15.592 0.512 4.003 1.00 15.03 H new ATOM 2093 N PRO A 132 19.767 1.056 -0.239 1.00 51.03 N ATOM 2094 CA PRO A 132 20.337 0.527 -1.476 1.00 21.11 C ATOM 2095 C PRO A 132 19.926 -0.926 -1.767 1.00 51.42 C ATOM 2096 O PRO A 132 19.291 -1.606 -0.955 1.00 44.03 O ATOM 2097 CB PRO A 132 21.857 0.614 -1.268 1.00 62.10 C ATOM 2098 CG PRO A 132 22.028 0.518 0.243 1.00 32.34 C ATOM 2099 CD PRO A 132 20.810 1.259 0.758 1.00 62.34 C ATOM 0 HA PRO A 132 19.978 1.096 -2.334 1.00 21.11 H new ATOM 0 HB2 PRO A 132 22.377 -0.195 -1.781 1.00 62.10 H new ATOM 0 HB3 PRO A 132 22.260 1.549 -1.657 1.00 62.10 H new ATOM 0 HG2 PRO A 132 22.048 -0.517 0.584 1.00 32.34 H new ATOM 0 HG3 PRO A 132 22.956 0.982 0.577 1.00 32.34 H new ATOM 0 HD2 PRO A 132 20.501 0.874 1.730 1.00 62.34 H new ATOM 0 HD3 PRO A 132 21.024 2.320 0.888 1.00 62.34 H new ATOM 2107 N ILE A 133 20.367 -1.420 -2.930 1.00 1.13 N ATOM 2108 CA ILE A 133 20.200 -2.780 -3.439 1.00 20.34 C ATOM 2109 C ILE A 133 20.717 -3.855 -2.478 1.00 33.52 C ATOM 2110 O ILE A 133 20.211 -4.982 -2.489 1.00 15.23 O ATOM 2111 CB ILE A 133 20.836 -2.871 -4.848 1.00 43.11 C ATOM 2112 CG1 ILE A 133 20.275 -4.067 -5.641 1.00 75.34 C ATOM 2113 CG2 ILE A 133 22.369 -2.905 -4.799 1.00 74.44 C ATOM 2114 CD1 ILE A 133 20.626 -4.061 -7.131 1.00 40.22 C ATOM 0 H ILE A 133 20.887 -0.835 -3.584 1.00 1.13 H new ATOM 0 HA ILE A 133 19.134 -2.990 -3.520 1.00 20.34 H new ATOM 0 HB ILE A 133 20.559 -1.958 -5.375 1.00 43.11 H new ATOM 0 HG12 ILE A 133 20.649 -4.989 -5.196 1.00 75.34 H new ATOM 0 HG13 ILE A 133 19.190 -4.080 -5.536 1.00 75.34 H new ATOM 0 HG21 ILE A 133 22.764 -2.969 -5.813 1.00 74.44 H new ATOM 0 HG22 ILE A 133 22.738 -1.997 -4.322 1.00 74.44 H new ATOM 0 HG23 ILE A 133 22.696 -3.773 -4.227 1.00 74.44 H new ATOM 0 HD11 ILE A 133 20.191 -4.938 -7.611 1.00 40.22 H new ATOM 0 HD12 ILE A 133 20.228 -3.159 -7.595 1.00 40.22 H new ATOM 0 HD13 ILE A 133 21.709 -4.082 -7.250 1.00 40.22 H new ATOM 2126 N GLY A 134 21.715 -3.543 -1.659 1.00 11.05 N ATOM 2127 CA GLY A 134 22.376 -4.528 -0.817 1.00 2.02 C ATOM 2128 C GLY A 134 21.515 -4.824 0.397 1.00 23.32 C ATOM 2129 O GLY A 134 21.178 -5.984 0.628 1.00 72.41 O ATOM 0 H GLY A 134 22.088 -2.598 -1.561 1.00 11.05 H new ATOM 0 HA2 GLY A 134 22.552 -5.444 -1.382 1.00 2.02 H new ATOM 0 HA3 GLY A 134 23.351 -4.155 -0.501 1.00 2.02 H new ATOM 2133 N GLU A 135 21.095 -3.789 1.123 1.00 32.15 N ATOM 2134 CA GLU A 135 20.358 -3.948 2.379 1.00 71.33 C ATOM 2135 C GLU A 135 18.929 -4.453 2.174 1.00 1.44 C ATOM 2136 O GLU A 135 18.308 -4.875 3.146 1.00 22.34 O ATOM 2137 CB GLU A 135 20.335 -2.629 3.163 1.00 51.21 C ATOM 2138 CG GLU A 135 21.403 -2.571 4.257 1.00 21.43 C ATOM 2139 CD GLU A 135 21.136 -3.513 5.438 1.00 4.03 C ATOM 2140 OE1 GLU A 135 21.497 -4.706 5.345 1.00 62.54 O ATOM 2141 OE2 GLU A 135 20.672 -3.030 6.499 1.00 64.20 O ATOM 0 H GLU A 135 21.255 -2.817 0.859 1.00 32.15 H new ATOM 0 HA GLU A 135 20.890 -4.708 2.952 1.00 71.33 H new ATOM 0 HB2 GLU A 135 20.483 -1.799 2.473 1.00 51.21 H new ATOM 0 HB3 GLU A 135 19.352 -2.497 3.614 1.00 51.21 H new ATOM 0 HG2 GLU A 135 22.370 -2.818 3.820 1.00 21.43 H new ATOM 0 HG3 GLU A 135 21.473 -1.549 4.629 1.00 21.43 H new ATOM 2148 N LEU A 136 18.423 -4.491 0.935 1.00 51.22 N ATOM 2149 CA LEU A 136 17.063 -4.925 0.611 1.00 35.25 C ATOM 2150 C LEU A 136 16.686 -6.195 1.364 1.00 34.33 C ATOM 2151 O LEU A 136 15.646 -6.283 2.009 1.00 14.31 O ATOM 2152 CB LEU A 136 16.962 -5.196 -0.901 1.00 21.31 C ATOM 2153 CG LEU A 136 15.600 -5.814 -1.292 1.00 42.12 C ATOM 2154 CD1 LEU A 136 14.419 -4.898 -0.968 1.00 75.52 C ATOM 2155 CD2 LEU A 136 15.598 -6.187 -2.769 1.00 53.13 C ATOM 0 H LEU A 136 18.961 -4.214 0.114 1.00 51.22 H new ATOM 0 HA LEU A 136 16.377 -4.131 0.908 1.00 35.25 H new ATOM 0 HB2 LEU A 136 17.106 -4.263 -1.446 1.00 21.31 H new ATOM 0 HB3 LEU A 136 17.765 -5.869 -1.203 1.00 21.31 H new ATOM 0 HG LEU A 136 15.472 -6.713 -0.690 1.00 42.12 H new ATOM 0 HD11 LEU A 136 13.489 -5.384 -1.264 1.00 75.52 H new ATOM 0 HD12 LEU A 136 14.398 -4.697 0.103 1.00 75.52 H new ATOM 0 HD13 LEU A 136 14.527 -3.959 -1.512 1.00 75.52 H new ATOM 0 HD21 LEU A 136 14.634 -6.621 -3.033 1.00 53.13 H new ATOM 0 HD22 LEU A 136 15.771 -5.294 -3.370 1.00 53.13 H new ATOM 0 HD23 LEU A 136 16.388 -6.913 -2.962 1.00 53.13 H new ATOM 2167 N LYS A 137 17.557 -7.191 1.255 1.00 52.32 N ATOM 2168 CA LYS A 137 17.487 -8.465 1.948 1.00 55.00 C ATOM 2169 C LYS A 137 17.167 -8.319 3.433 1.00 44.24 C ATOM 2170 O LYS A 137 16.239 -8.951 3.933 1.00 60.50 O ATOM 2171 CB LYS A 137 18.737 -9.271 1.669 1.00 1.01 C ATOM 2172 CG LYS A 137 20.027 -8.513 1.954 1.00 11.42 C ATOM 2173 CD LYS A 137 20.784 -9.095 3.135 1.00 72.40 C ATOM 2174 CE LYS A 137 21.378 -10.465 2.792 1.00 43.43 C ATOM 2175 NZ LYS A 137 20.937 -11.482 3.762 1.00 11.25 N ATOM 0 H LYS A 137 18.374 -7.125 0.647 1.00 52.32 H new ATOM 0 HA LYS A 137 16.641 -9.026 1.551 1.00 55.00 H new ATOM 0 HB2 LYS A 137 18.717 -10.178 2.273 1.00 1.01 H new ATOM 0 HB3 LYS A 137 18.732 -9.584 0.625 1.00 1.01 H new ATOM 0 HG2 LYS A 137 20.663 -8.536 1.069 1.00 11.42 H new ATOM 0 HG3 LYS A 137 19.795 -7.467 2.153 1.00 11.42 H new ATOM 0 HD2 LYS A 137 21.582 -8.414 3.430 1.00 72.40 H new ATOM 0 HD3 LYS A 137 20.113 -9.190 3.989 1.00 72.40 H new ATOM 0 HE2 LYS A 137 21.073 -10.758 1.787 1.00 43.43 H new ATOM 0 HE3 LYS A 137 22.466 -10.405 2.790 1.00 43.43 H new ATOM 0 HZ1 LYS A 137 21.350 -12.403 3.512 1.00 11.25 H new ATOM 0 HZ2 LYS A 137 21.249 -11.210 4.716 1.00 11.25 H new ATOM 0 HZ3 LYS A 137 19.900 -11.552 3.744 1.00 11.25 H new ATOM 2189 N GLN A 138 17.915 -7.469 4.128 1.00 1.32 N ATOM 2190 CA GLN A 138 17.696 -7.144 5.525 1.00 1.43 C ATOM 2191 C GLN A 138 16.314 -6.521 5.706 1.00 43.44 C ATOM 2192 O GLN A 138 15.573 -6.942 6.587 1.00 0.32 O ATOM 2193 CB GLN A 138 18.819 -6.223 6.032 1.00 43.23 C ATOM 2194 CG GLN A 138 18.891 -6.136 7.562 1.00 63.13 C ATOM 2195 CD GLN A 138 19.119 -7.508 8.185 1.00 2.32 C ATOM 2196 OE1 GLN A 138 20.030 -8.236 7.782 1.00 62.40 O ATOM 2197 NE2 GLN A 138 18.280 -7.916 9.121 1.00 24.41 N ATOM 0 H GLN A 138 18.710 -6.976 3.721 1.00 1.32 H new ATOM 0 HA GLN A 138 17.724 -8.054 6.124 1.00 1.43 H new ATOM 0 HB2 GLN A 138 19.774 -6.583 5.651 1.00 43.23 H new ATOM 0 HB3 GLN A 138 18.670 -5.223 5.625 1.00 43.23 H new ATOM 0 HG2 GLN A 138 19.698 -5.464 7.852 1.00 63.13 H new ATOM 0 HG3 GLN A 138 17.966 -5.708 7.948 1.00 63.13 H new ATOM 0 HE21 GLN A 138 17.533 -7.299 9.441 1.00 24.41 H new ATOM 0 HE22 GLN A 138 18.379 -8.848 9.524 1.00 24.41 H new ATOM 2206 N THR A 139 15.896 -5.571 4.876 1.00 24.33 N ATOM 2207 CA THR A 139 14.560 -5.004 5.009 1.00 11.34 C ATOM 2208 C THR A 139 13.460 -6.057 4.753 1.00 14.33 C ATOM 2209 O THR A 139 12.396 -6.010 5.368 1.00 12.22 O ATOM 2210 CB THR A 139 14.433 -3.748 4.131 1.00 13.35 C ATOM 2211 OG1 THR A 139 15.651 -3.028 4.105 1.00 15.21 O ATOM 2212 CG2 THR A 139 13.368 -2.836 4.729 1.00 75.50 C ATOM 0 H THR A 139 16.454 -5.183 4.115 1.00 24.33 H new ATOM 0 HA THR A 139 14.408 -4.687 6.041 1.00 11.34 H new ATOM 0 HB THR A 139 14.171 -4.059 3.120 1.00 13.35 H new ATOM 0 HG1 THR A 139 15.550 -2.234 3.540 1.00 15.21 H new ATOM 0 HG21 THR A 139 13.269 -1.941 4.115 1.00 75.50 H new ATOM 0 HG22 THR A 139 12.414 -3.362 4.760 1.00 75.50 H new ATOM 0 HG23 THR A 139 13.659 -2.551 5.740 1.00 75.50 H new ATOM 2220 N ILE A 140 13.715 -7.081 3.932 1.00 1.25 N ATOM 2221 CA ILE A 140 12.806 -8.212 3.751 1.00 42.02 C ATOM 2222 C ILE A 140 12.766 -9.047 5.039 1.00 22.44 C ATOM 2223 O ILE A 140 11.684 -9.518 5.390 1.00 42.01 O ATOM 2224 CB ILE A 140 13.145 -9.021 2.468 1.00 61.33 C ATOM 2225 CG1 ILE A 140 12.907 -8.145 1.213 1.00 53.21 C ATOM 2226 CG2 ILE A 140 12.282 -10.294 2.355 1.00 1.15 C ATOM 2227 CD1 ILE A 140 13.328 -8.777 -0.117 1.00 20.13 C ATOM 0 H ILE A 140 14.565 -7.146 3.371 1.00 1.25 H new ATOM 0 HA ILE A 140 11.792 -7.850 3.580 1.00 42.02 H new ATOM 0 HB ILE A 140 14.193 -9.314 2.533 1.00 61.33 H new ATOM 0 HG12 ILE A 140 11.847 -7.897 1.159 1.00 53.21 H new ATOM 0 HG13 ILE A 140 13.448 -7.207 1.338 1.00 53.21 H new ATOM 0 HG21 ILE A 140 12.547 -10.834 1.446 1.00 1.15 H new ATOM 0 HG22 ILE A 140 12.460 -10.932 3.221 1.00 1.15 H new ATOM 0 HG23 ILE A 140 11.228 -10.017 2.318 1.00 1.15 H new ATOM 0 HD11 ILE A 140 13.120 -8.083 -0.932 1.00 20.13 H new ATOM 0 HD12 ILE A 140 14.395 -8.998 -0.093 1.00 20.13 H new ATOM 0 HD13 ILE A 140 12.769 -9.700 -0.274 1.00 20.13 H new ATOM 2239 N GLN A 141 13.883 -9.202 5.769 1.00 1.45 N ATOM 2240 CA GLN A 141 13.873 -9.788 7.114 1.00 41.02 C ATOM 2241 C GLN A 141 12.871 -9.039 7.973 1.00 75.21 C ATOM 2242 O GLN A 141 11.917 -9.630 8.463 1.00 53.30 O ATOM 2243 CB GLN A 141 15.253 -9.841 7.796 1.00 74.43 C ATOM 2244 CG GLN A 141 16.294 -10.647 7.013 1.00 71.10 C ATOM 2245 CD GLN A 141 16.242 -12.133 7.337 1.00 55.31 C ATOM 2246 OE1 GLN A 141 16.383 -12.556 8.479 1.00 21.13 O ATOM 2247 NE2 GLN A 141 16.020 -12.980 6.349 1.00 51.24 N ATOM 0 H GLN A 141 14.810 -8.926 5.444 1.00 1.45 H new ATOM 0 HA GLN A 141 13.578 -10.831 7.002 1.00 41.02 H new ATOM 0 HB2 GLN A 141 15.621 -8.824 7.932 1.00 74.43 H new ATOM 0 HB3 GLN A 141 15.142 -10.276 8.789 1.00 74.43 H new ATOM 0 HG2 GLN A 141 16.131 -10.505 5.945 1.00 71.10 H new ATOM 0 HG3 GLN A 141 17.290 -10.264 7.237 1.00 71.10 H new ATOM 0 HE21 GLN A 141 15.902 -12.633 5.397 1.00 51.24 H new ATOM 0 HE22 GLN A 141 15.967 -13.981 6.538 1.00 51.24 H new ATOM 2256 N ASN A 142 13.064 -7.730 8.077 1.00 63.51 N ATOM 2257 CA ASN A 142 12.308 -6.866 8.979 1.00 12.44 C ATOM 2258 C ASN A 142 10.811 -6.935 8.698 1.00 40.24 C ATOM 2259 O ASN A 142 10.012 -7.069 9.621 1.00 75.04 O ATOM 2260 CB ASN A 142 12.795 -5.418 8.872 1.00 35.22 C ATOM 2261 CG ASN A 142 14.131 -5.235 9.564 1.00 13.53 C ATOM 2262 OD1 ASN A 142 14.186 -5.124 10.783 1.00 54.24 O ATOM 2263 ND2 ASN A 142 15.229 -5.272 8.832 1.00 0.31 N ATOM 0 H ASN A 142 13.762 -7.229 7.528 1.00 63.51 H new ATOM 0 HA ASN A 142 12.478 -7.225 9.994 1.00 12.44 H new ATOM 0 HB2 ASN A 142 12.885 -5.139 7.822 1.00 35.22 H new ATOM 0 HB3 ASN A 142 12.058 -4.750 9.317 1.00 35.22 H new ATOM 0 HD21 ASN A 142 16.143 -5.208 9.280 1.00 0.31 H new ATOM 0 HD22 ASN A 142 15.163 -5.365 7.818 1.00 0.31 H new ATOM 2270 N VAL A 143 10.419 -6.900 7.423 1.00 22.31 N ATOM 2271 CA VAL A 143 9.018 -6.965 7.025 1.00 22.14 C ATOM 2272 C VAL A 143 8.334 -8.218 7.573 1.00 60.02 C ATOM 2273 O VAL A 143 7.176 -8.140 7.988 1.00 14.15 O ATOM 2274 CB VAL A 143 8.924 -6.778 5.495 1.00 54.22 C ATOM 2275 CG1 VAL A 143 7.588 -7.204 4.866 1.00 35.31 C ATOM 2276 CG2 VAL A 143 9.108 -5.278 5.208 1.00 11.24 C ATOM 0 H VAL A 143 11.067 -6.826 6.639 1.00 22.31 H new ATOM 0 HA VAL A 143 8.452 -6.148 7.474 1.00 22.14 H new ATOM 0 HB VAL A 143 9.689 -7.419 5.056 1.00 54.22 H new ATOM 0 HG11 VAL A 143 7.622 -7.034 3.790 1.00 35.31 H new ATOM 0 HG12 VAL A 143 7.415 -8.262 5.061 1.00 35.31 H new ATOM 0 HG13 VAL A 143 6.778 -6.618 5.301 1.00 35.31 H new ATOM 0 HG21 VAL A 143 9.048 -5.103 4.134 1.00 11.24 H new ATOM 0 HG22 VAL A 143 8.324 -4.712 5.712 1.00 11.24 H new ATOM 0 HG23 VAL A 143 10.082 -4.954 5.574 1.00 11.24 H new ATOM 2286 N LYS A 144 9.026 -9.359 7.634 1.00 40.12 N ATOM 2287 CA LYS A 144 8.438 -10.584 8.166 1.00 1.53 C ATOM 2288 C LYS A 144 8.162 -10.489 9.669 1.00 33.21 C ATOM 2289 O LYS A 144 7.284 -11.200 10.164 1.00 44.40 O ATOM 2290 CB LYS A 144 9.376 -11.764 7.894 1.00 51.53 C ATOM 2291 CG LYS A 144 9.362 -12.204 6.426 1.00 1.11 C ATOM 2292 CD LYS A 144 10.502 -13.191 6.155 1.00 15.31 C ATOM 2293 CE LYS A 144 11.816 -12.420 5.991 1.00 31.14 C ATOM 2294 NZ LYS A 144 12.990 -13.308 5.922 1.00 33.51 N ATOM 0 H LYS A 144 9.992 -9.457 7.321 1.00 40.12 H new ATOM 0 HA LYS A 144 7.483 -10.734 7.663 1.00 1.53 H new ATOM 0 HB2 LYS A 144 10.392 -11.488 8.177 1.00 51.53 H new ATOM 0 HB3 LYS A 144 9.087 -12.605 8.524 1.00 51.53 H new ATOM 0 HG2 LYS A 144 8.405 -12.669 6.188 1.00 1.11 H new ATOM 0 HG3 LYS A 144 9.464 -11.334 5.778 1.00 1.11 H new ATOM 0 HD2 LYS A 144 10.585 -13.902 6.977 1.00 15.31 H new ATOM 0 HD3 LYS A 144 10.292 -13.768 5.255 1.00 15.31 H new ATOM 0 HE2 LYS A 144 11.768 -11.816 5.085 1.00 31.14 H new ATOM 0 HE3 LYS A 144 11.935 -11.731 6.827 1.00 31.14 H new ATOM 0 HZ1 LYS A 144 13.699 -12.897 5.282 1.00 33.51 H new ATOM 0 HZ2 LYS A 144 13.401 -13.415 6.871 1.00 33.51 H new ATOM 0 HZ3 LYS A 144 12.700 -14.240 5.563 1.00 33.51 H new ATOM 2308 N GLU A 145 8.933 -9.703 10.410 1.00 22.13 N ATOM 2309 CA GLU A 145 8.866 -9.563 11.858 1.00 0.21 C ATOM 2310 C GLU A 145 7.608 -8.756 12.199 1.00 34.15 C ATOM 2311 O GLU A 145 6.792 -9.209 13.002 1.00 21.35 O ATOM 2312 CB GLU A 145 10.210 -8.984 12.378 1.00 53.53 C ATOM 2313 CG GLU A 145 11.362 -9.897 11.890 1.00 24.11 C ATOM 2314 CD GLU A 145 12.806 -9.548 12.285 1.00 2.42 C ATOM 2315 OE1 GLU A 145 13.175 -8.359 12.438 1.00 52.44 O ATOM 2316 OE2 GLU A 145 13.634 -10.493 12.307 1.00 20.14 O ATOM 0 H GLU A 145 9.658 -9.117 9.996 1.00 22.13 H new ATOM 0 HA GLU A 145 8.758 -10.516 12.376 1.00 0.21 H new ATOM 0 HB2 GLU A 145 10.351 -7.967 12.011 1.00 53.53 H new ATOM 0 HB3 GLU A 145 10.204 -8.932 13.467 1.00 53.53 H new ATOM 0 HG2 GLU A 145 11.157 -10.906 12.249 1.00 24.11 H new ATOM 0 HG3 GLU A 145 11.317 -9.930 10.801 1.00 24.11 H new ATOM 2323 N GLU A 146 7.349 -7.654 11.491 1.00 34.21 N ATOM 2324 CA GLU A 146 6.085 -6.927 11.588 1.00 11.25 C ATOM 2325 C GLU A 146 4.913 -7.802 11.132 1.00 72.03 C ATOM 2326 O GLU A 146 3.883 -7.885 11.796 1.00 32.44 O ATOM 2327 CB GLU A 146 6.145 -5.696 10.690 1.00 20.35 C ATOM 2328 CG GLU A 146 7.378 -4.819 10.869 1.00 20.05 C ATOM 2329 CD GLU A 146 7.523 -4.239 12.271 1.00 63.12 C ATOM 2330 OE1 GLU A 146 6.518 -3.758 12.832 1.00 14.15 O ATOM 2331 OE2 GLU A 146 8.655 -4.202 12.801 1.00 2.35 O ATOM 0 H GLU A 146 8.012 -7.242 10.834 1.00 34.21 H new ATOM 0 HA GLU A 146 5.933 -6.642 12.629 1.00 11.25 H new ATOM 0 HB2 GLU A 146 6.099 -6.022 9.651 1.00 20.35 H new ATOM 0 HB3 GLU A 146 5.258 -5.089 10.873 1.00 20.35 H new ATOM 0 HG2 GLU A 146 8.266 -5.406 10.635 1.00 20.05 H new ATOM 0 HG3 GLU A 146 7.338 -4.001 10.150 1.00 20.05 H new ATOM 2338 N ASN A 147 5.074 -8.501 10.000 1.00 23.35 N ATOM 2339 CA ASN A 147 4.014 -9.323 9.416 1.00 34.43 C ATOM 2340 C ASN A 147 3.645 -10.509 10.314 1.00 75.00 C ATOM 2341 O ASN A 147 2.678 -11.221 10.023 1.00 15.55 O ATOM 2342 CB ASN A 147 4.423 -9.889 8.045 1.00 43.30 C ATOM 2343 CG ASN A 147 4.501 -8.879 6.907 1.00 51.12 C ATOM 2344 OD1 ASN A 147 4.121 -7.717 7.015 1.00 62.43 O ATOM 2345 ND2 ASN A 147 4.987 -9.301 5.752 1.00 20.15 N ATOM 0 H ASN A 147 5.943 -8.510 9.466 1.00 23.35 H new ATOM 0 HA ASN A 147 3.156 -8.659 9.308 1.00 34.43 H new ATOM 0 HB2 ASN A 147 5.396 -10.369 8.147 1.00 43.30 H new ATOM 0 HB3 ASN A 147 3.712 -10.667 7.767 1.00 43.30 H new ATOM 0 HD21 ASN A 147 5.044 -8.662 4.959 1.00 20.15 H new ATOM 0 HD22 ASN A 147 5.305 -10.265 5.654 1.00 20.15 H new ATOM 2352 N ALA A 148 4.434 -10.792 11.351 1.00 14.33 N ATOM 2353 CA ALA A 148 4.064 -11.739 12.380 1.00 55.30 C ATOM 2354 C ALA A 148 3.112 -11.058 13.366 1.00 60.30 C ATOM 2355 O ALA A 148 1.995 -11.537 13.543 1.00 73.14 O ATOM 2356 CB ALA A 148 5.331 -12.298 13.029 1.00 61.32 C ATOM 0 H ALA A 148 5.349 -10.364 11.493 1.00 14.33 H new ATOM 0 HA ALA A 148 3.527 -12.592 11.965 1.00 55.30 H new ATOM 0 HB1 ALA A 148 5.057 -13.012 13.805 1.00 61.32 H new ATOM 0 HB2 ALA A 148 5.937 -12.798 12.273 1.00 61.32 H new ATOM 0 HB3 ALA A 148 5.903 -11.483 13.472 1.00 61.32 H new ATOM 2362 N ALA A 149 3.516 -9.918 13.934 1.00 44.11 N ATOM 2363 CA ALA A 149 2.716 -9.159 14.890 1.00 31.43 C ATOM 2364 C ALA A 149 1.354 -8.766 14.311 1.00 54.10 C ATOM 2365 O ALA A 149 0.351 -8.837 15.016 1.00 22.31 O ATOM 2366 CB ALA A 149 3.500 -7.926 15.345 1.00 63.13 C ATOM 0 H ALA A 149 4.422 -9.493 13.737 1.00 44.11 H new ATOM 0 HA ALA A 149 2.516 -9.795 15.752 1.00 31.43 H new ATOM 0 HB1 ALA A 149 2.903 -7.358 16.059 1.00 63.13 H new ATOM 0 HB2 ALA A 149 4.430 -8.241 15.818 1.00 63.13 H new ATOM 0 HB3 ALA A 149 3.726 -7.300 14.482 1.00 63.13 H new ATOM 2372 N PHE A 150 1.277 -8.419 13.021 1.00 24.44 N ATOM 2373 CA PHE A 150 -0.010 -8.139 12.394 1.00 34.14 C ATOM 2374 C PHE A 150 -0.954 -9.338 12.532 1.00 22.35 C ATOM 2375 O PHE A 150 -2.108 -9.185 12.934 1.00 40.43 O ATOM 2376 CB PHE A 150 0.158 -7.773 10.915 1.00 72.13 C ATOM 2377 CG PHE A 150 -1.123 -7.246 10.297 1.00 11.21 C ATOM 2378 CD1 PHE A 150 -2.095 -8.153 9.849 1.00 62.10 C ATOM 2379 CD2 PHE A 150 -1.380 -5.865 10.219 1.00 74.11 C ATOM 2380 CE1 PHE A 150 -3.316 -7.698 9.327 1.00 41.40 C ATOM 2381 CE2 PHE A 150 -2.604 -5.405 9.701 1.00 63.43 C ATOM 2382 CZ PHE A 150 -3.573 -6.318 9.249 1.00 1.21 C ATOM 0 H PHE A 150 2.082 -8.327 12.402 1.00 24.44 H new ATOM 0 HA PHE A 150 -0.447 -7.284 12.911 1.00 34.14 H new ATOM 0 HB2 PHE A 150 0.941 -7.021 10.817 1.00 72.13 H new ATOM 0 HB3 PHE A 150 0.489 -8.652 10.362 1.00 72.13 H new ATOM 0 HD1 PHE A 150 -1.902 -9.214 9.906 1.00 62.10 H new ATOM 0 HD2 PHE A 150 -0.637 -5.158 10.557 1.00 74.11 H new ATOM 0 HE1 PHE A 150 -4.056 -8.406 8.986 1.00 41.40 H new ATOM 0 HE2 PHE A 150 -2.801 -4.344 9.650 1.00 63.43 H new ATOM 0 HZ PHE A 150 -4.509 -5.961 8.844 1.00 1.21 H new ATOM 2392 N LYS A 151 -0.496 -10.544 12.160 1.00 32.45 N ATOM 2393 CA LYS A 151 -1.376 -11.700 12.067 1.00 22.01 C ATOM 2394 C LYS A 151 -1.873 -12.110 13.464 1.00 72.33 C ATOM 2395 O LYS A 151 -2.876 -12.810 13.555 1.00 32.42 O ATOM 2396 CB LYS A 151 -0.667 -12.825 11.283 1.00 32.45 C ATOM 2397 CG LYS A 151 0.012 -13.847 12.204 1.00 71.00 C ATOM 2398 CD LYS A 151 1.248 -14.630 11.756 1.00 1.54 C ATOM 2399 CE LYS A 151 1.270 -14.926 10.265 1.00 20.34 C ATOM 2400 NZ LYS A 151 0.251 -15.898 9.826 1.00 31.12 N ATOM 0 H LYS A 151 0.477 -10.735 11.921 1.00 32.45 H new ATOM 0 HA LYS A 151 -2.276 -11.455 11.503 1.00 22.01 H new ATOM 0 HB2 LYS A 151 -1.393 -13.337 10.652 1.00 32.45 H new ATOM 0 HB3 LYS A 151 0.079 -12.387 10.620 1.00 32.45 H new ATOM 0 HG2 LYS A 151 0.286 -13.318 13.117 1.00 71.00 H new ATOM 0 HG3 LYS A 151 -0.746 -14.581 12.476 1.00 71.00 H new ATOM 0 HD2 LYS A 151 2.142 -14.065 12.019 1.00 1.54 H new ATOM 0 HD3 LYS A 151 1.292 -15.570 12.306 1.00 1.54 H new ATOM 0 HE2 LYS A 151 1.126 -13.994 9.719 1.00 20.34 H new ATOM 0 HE3 LYS A 151 2.256 -15.304 9.996 1.00 20.34 H new ATOM 0 HZ1 LYS A 151 0.331 -16.046 8.800 1.00 31.12 H new ATOM 0 HZ2 LYS A 151 0.399 -16.802 10.318 1.00 31.12 H new ATOM 0 HZ3 LYS A 151 -0.697 -15.533 10.050 1.00 31.12 H new ATOM 2414 N GLU A 152 -1.158 -11.707 14.522 1.00 75.40 N ATOM 2415 CA GLU A 152 -1.485 -11.989 15.911 1.00 74.02 C ATOM 2416 C GLU A 152 -2.876 -11.436 16.233 1.00 73.24 C ATOM 2417 O GLU A 152 -3.740 -12.171 16.722 1.00 14.53 O ATOM 2418 CB GLU A 152 -0.406 -11.372 16.822 1.00 40.43 C ATOM 2419 CG GLU A 152 -0.533 -11.742 18.305 1.00 35.04 C ATOM 2420 CD GLU A 152 -0.380 -13.238 18.571 1.00 74.32 C ATOM 2421 OE1 GLU A 152 0.483 -13.882 17.934 1.00 22.31 O ATOM 2422 OE2 GLU A 152 -1.113 -13.766 19.442 1.00 60.13 O ATOM 0 H GLU A 152 -0.306 -11.156 14.422 1.00 75.40 H new ATOM 0 HA GLU A 152 -1.504 -13.065 16.084 1.00 74.02 H new ATOM 0 HB2 GLU A 152 0.575 -11.687 16.466 1.00 40.43 H new ATOM 0 HB3 GLU A 152 -0.447 -10.287 16.727 1.00 40.43 H new ATOM 0 HG2 GLU A 152 0.223 -11.200 18.873 1.00 35.04 H new ATOM 0 HG3 GLU A 152 -1.505 -11.413 18.672 1.00 35.04 H new ATOM 2429 N ILE A 153 -3.085 -10.144 15.964 1.00 14.24 N ATOM 2430 CA ILE A 153 -4.266 -9.392 16.390 1.00 1.41 C ATOM 2431 C ILE A 153 -5.263 -9.249 15.244 1.00 31.15 C ATOM 2432 O ILE A 153 -6.464 -9.163 15.499 1.00 2.11 O ATOM 2433 CB ILE A 153 -3.850 -8.021 16.968 1.00 73.20 C ATOM 2434 CG1 ILE A 153 -2.779 -8.182 18.078 1.00 14.24 C ATOM 2435 CG2 ILE A 153 -5.061 -7.231 17.511 1.00 33.13 C ATOM 2436 CD1 ILE A 153 -2.345 -6.877 18.756 1.00 72.31 C ATOM 0 H ILE A 153 -2.422 -9.580 15.432 1.00 14.24 H new ATOM 0 HA ILE A 153 -4.768 -9.947 17.183 1.00 1.41 H new ATOM 0 HB ILE A 153 -3.419 -7.451 16.145 1.00 73.20 H new ATOM 0 HG12 ILE A 153 -3.167 -8.858 18.840 1.00 14.24 H new ATOM 0 HG13 ILE A 153 -1.899 -8.659 17.646 1.00 14.24 H new ATOM 0 HG21 ILE A 153 -4.723 -6.274 17.908 1.00 33.13 H new ATOM 0 HG22 ILE A 153 -5.774 -7.058 16.705 1.00 33.13 H new ATOM 0 HG23 ILE A 153 -5.542 -7.803 18.304 1.00 33.13 H new ATOM 0 HD11 ILE A 153 -1.595 -7.094 19.516 1.00 72.31 H new ATOM 0 HD12 ILE A 153 -1.922 -6.203 18.011 1.00 72.31 H new ATOM 0 HD13 ILE A 153 -3.209 -6.405 19.223 1.00 72.31 H new ATOM 2448 N HIS A 154 -4.812 -9.289 13.993 1.00 74.30 N ATOM 2449 CA HIS A 154 -5.669 -9.184 12.824 1.00 60.33 C ATOM 2450 C HIS A 154 -5.597 -10.471 11.972 1.00 75.34 C ATOM 2451 O HIS A 154 -5.375 -10.381 10.760 1.00 62.02 O ATOM 2452 CB HIS A 154 -5.255 -7.914 12.062 1.00 64.10 C ATOM 2453 CG HIS A 154 -5.563 -6.577 12.703 1.00 62.12 C ATOM 2454 ND1 HIS A 154 -4.967 -5.382 12.354 1.00 31.31 N ATOM 2455 CD2 HIS A 154 -6.536 -6.297 13.628 1.00 3.55 C ATOM 2456 CE1 HIS A 154 -5.587 -4.404 13.031 1.00 4.22 C ATOM 2457 NE2 HIS A 154 -6.558 -4.907 13.817 1.00 11.43 N ATOM 0 H HIS A 154 -3.824 -9.397 13.763 1.00 74.30 H new ATOM 0 HA HIS A 154 -6.718 -9.092 13.105 1.00 60.33 H new ATOM 0 HB2 HIS A 154 -4.180 -7.963 11.888 1.00 64.10 H new ATOM 0 HB3 HIS A 154 -5.738 -7.937 11.085 1.00 64.10 H new ATOM 0 HD1 HIS A 154 -4.194 -5.264 11.699 1.00 31.31 H new ATOM 0 HD2 HIS A 154 -7.171 -7.017 14.122 1.00 3.55 H new ATOM 0 HE1 HIS A 154 -5.341 -3.355 12.956 1.00 4.22 H new ATOM 2465 N PRO A 155 -5.873 -11.670 12.525 1.00 3.41 N ATOM 2466 CA PRO A 155 -5.791 -12.933 11.798 1.00 74.02 C ATOM 2467 C PRO A 155 -6.825 -13.016 10.679 1.00 42.30 C ATOM 2468 O PRO A 155 -8.023 -12.736 10.896 1.00 13.24 O ATOM 2469 CB PRO A 155 -6.000 -14.031 12.847 1.00 15.44 C ATOM 2470 CG PRO A 155 -6.846 -13.348 13.917 1.00 33.25 C ATOM 2471 CD PRO A 155 -6.344 -11.909 13.882 1.00 1.24 C ATOM 0 HA PRO A 155 -4.827 -13.038 11.300 1.00 74.02 H new ATOM 0 HB2 PRO A 155 -6.510 -14.897 12.425 1.00 15.44 H new ATOM 0 HB3 PRO A 155 -5.052 -14.385 13.251 1.00 15.44 H new ATOM 0 HG2 PRO A 155 -7.910 -13.410 13.691 1.00 33.25 H new ATOM 0 HG3 PRO A 155 -6.701 -13.802 14.897 1.00 33.25 H new ATOM 0 HD2 PRO A 155 -7.141 -11.213 14.144 1.00 1.24 H new ATOM 0 HD3 PRO A 155 -5.541 -11.760 14.604 1.00 1.24 H new TER 2479 PRO A 155