USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1048 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 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -0.0332 USER MOD Set 2.1: A 25 LYS NZ :NH3+ -127:sc= -2.9! (180deg=-4.52!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -161:sc= -0.614 (180deg=-1.7!) USER MOD Single : A 1 GLN : amide:sc= -0.959 X(o=-0.96,f=-1.4) USER MOD Single : A 1 GLN N :NH3+ -168:sc= -0.554 (180deg=-0.964) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.431 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0.399 (180deg=0.238) USER MOD Single : A 18 MET CE :methyl -157:sc= -0.384 (180deg=-1.85!) USER MOD Single : A 19 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 63:sc= 0.52 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 130:sc= -1.81 USER MOD Single : A 29 GLN : amide:sc= -4.1 K(o=-4.1,f=-1.5) USER MOD Single : A 30 THR OG1 : rot 90:sc= 0.155 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.79 K(o=-1.8,f=-7.2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00929 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.936) USER MOD Single : A 57 SER OG : rot 97:sc= 0.346 USER MOD Single : A 59 LYS NZ :NH3+ 148:sc= -0.0668 (180deg=-0.758) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 61 SER OG : rot 138:sc= 0.0442 USER MOD Single : A 62 GLN : amide:sc= -0.318 X(o=-0.32,f=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= -0.0229 (180deg=-0.797) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00644 USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= -0.123 (180deg=-0.598) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 151:sc= -0.187 (180deg=-1.1) USER MOD Single : A 104 TYR OH : rot 57:sc= -4.06! USER MOD Single : A 106 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 110 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.9!) USER MOD Single : A 111 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -171:sc= -7.79! (180deg=-8.18!) USER MOD Single : A 116 GLN : amide:sc= -0.325 X(o=-0.33,f=-0.05) USER MOD Single : A 126 LYS NZ :NH3+ -133:sc= 0.295 (180deg=-0.999) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -10.598 16.323 5.535 1.00 0.00 N ATOM 2 CA GLN A 1 -9.860 15.055 5.295 1.00 0.00 C ATOM 3 C GLN A 1 -10.389 14.334 4.060 1.00 0.00 C ATOM 4 O GLN A 1 -11.285 14.829 3.375 1.00 0.00 O ATOM 5 CB GLN A 1 -10.007 14.164 6.530 1.00 0.00 C ATOM 6 CG GLN A 1 -9.750 14.890 7.841 1.00 0.00 C ATOM 7 CD GLN A 1 -10.987 15.582 8.377 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.019 16.805 8.514 1.00 0.00 O ATOM 9 NE2 GLN A 1 -12.016 14.801 8.685 1.00 0.00 N ATOM 0 H1 GLN A 1 -10.094 16.888 6.248 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.661 16.861 4.647 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.556 16.108 5.878 1.00 0.00 H new ATOM 0 HA GLN A 1 -8.809 15.281 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.013 13.746 6.548 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.315 13.326 6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -9.387 14.177 8.582 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -8.960 15.627 7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.947 13.792 8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.876 15.211 9.051 1.00 0.00 H new ATOM 20 N PHE A 2 -9.829 13.161 3.780 1.00 0.00 N ATOM 21 CA PHE A 2 -10.246 12.371 2.626 1.00 0.00 C ATOM 22 C PHE A 2 -11.318 11.355 3.013 1.00 0.00 C ATOM 23 O PHE A 2 -12.073 10.884 2.162 1.00 0.00 O ATOM 24 CB PHE A 2 -9.039 11.656 2.011 1.00 0.00 C ATOM 25 CG PHE A 2 -9.324 10.992 0.689 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.352 11.440 -0.129 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.557 9.919 0.265 1.00 0.00 C ATOM 28 CE1 PHE A 2 -10.606 10.828 -1.341 1.00 0.00 C ATOM 29 CE2 PHE A 2 -8.808 9.304 -0.946 1.00 0.00 C ATOM 30 CZ PHE A 2 -9.835 9.760 -1.751 1.00 0.00 C ATOM 0 H PHE A 2 -9.086 12.737 4.336 1.00 0.00 H new ATOM 0 HA PHE A 2 -10.673 13.050 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.233 12.377 1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.680 10.904 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.960 12.276 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.753 9.559 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.409 11.186 -1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.203 8.468 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.033 9.281 -2.699 1.00 0.00 H new ATOM 40 N ASP A 3 -11.383 11.025 4.301 1.00 0.00 N ATOM 41 CA ASP A 3 -12.367 10.069 4.801 1.00 0.00 C ATOM 42 C ASP A 3 -12.133 8.678 4.219 1.00 0.00 C ATOM 43 O ASP A 3 -13.071 7.897 4.061 1.00 0.00 O ATOM 44 CB ASP A 3 -13.785 10.540 4.469 1.00 0.00 C ATOM 45 CG ASP A 3 -14.400 11.356 5.590 1.00 0.00 C ATOM 46 OD1 ASP A 3 -13.640 11.851 6.448 1.00 0.00 O ATOM 47 OD2 ASP A 3 -15.641 11.498 5.609 1.00 0.00 O ATOM 0 H ASP A 3 -10.765 11.406 5.018 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.253 10.011 5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.762 11.138 3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.415 9.674 4.266 1.00 0.00 H new ATOM 52 N LEU A 4 -10.878 8.371 3.904 1.00 0.00 N ATOM 53 CA LEU A 4 -10.531 7.070 3.342 1.00 0.00 C ATOM 54 C LEU A 4 -9.938 6.153 4.410 1.00 0.00 C ATOM 55 O LEU A 4 -9.158 6.590 5.255 1.00 0.00 O ATOM 56 CB LEU A 4 -9.540 7.234 2.188 1.00 0.00 C ATOM 57 CG LEU A 4 -9.354 5.990 1.318 1.00 0.00 C ATOM 58 CD1 LEU A 4 -9.193 6.373 -0.145 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.163 5.177 1.803 1.00 0.00 C ATOM 0 H LEU A 4 -10.087 9.003 4.028 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.446 6.613 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.875 8.056 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.572 7.521 2.598 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.247 5.372 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.062 5.472 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.082 6.907 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.319 7.015 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.044 4.295 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.261 5.786 1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.330 4.867 2.834 1.00 0.00 H new ATOM 71 N THR A 5 -10.316 4.878 4.362 1.00 0.00 N ATOM 72 CA THR A 5 -9.824 3.894 5.321 1.00 0.00 C ATOM 73 C THR A 5 -9.892 2.489 4.732 1.00 0.00 C ATOM 74 O THR A 5 -10.971 1.913 4.597 1.00 0.00 O ATOM 75 CB THR A 5 -10.642 3.961 6.612 1.00 0.00 C ATOM 76 OG1 THR A 5 -10.625 5.272 7.148 1.00 0.00 O ATOM 77 CG2 THR A 5 -10.143 3.021 7.689 1.00 0.00 C ATOM 0 H THR A 5 -10.962 4.502 3.668 1.00 0.00 H new ATOM 0 HA THR A 5 -8.783 4.125 5.548 1.00 0.00 H new ATOM 0 HB THR A 5 -11.651 3.661 6.329 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.155 5.295 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.768 3.120 8.576 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.189 1.994 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.113 3.271 7.941 1.00 0.00 H new ATOM 85 N VAL A 6 -8.735 1.941 4.373 1.00 0.00 N ATOM 86 CA VAL A 6 -8.676 0.607 3.787 1.00 0.00 C ATOM 87 C VAL A 6 -8.022 -0.393 4.736 1.00 0.00 C ATOM 88 O VAL A 6 -7.373 -0.014 5.710 1.00 0.00 O ATOM 89 CB VAL A 6 -7.925 0.613 2.419 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.406 2.005 2.091 1.00 0.00 C ATOM 91 CG2 VAL A 6 -6.780 -0.402 2.381 1.00 0.00 C ATOM 0 H VAL A 6 -7.829 2.398 4.477 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.706 0.295 3.613 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.650 0.317 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.886 1.983 1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.243 2.701 2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.716 2.329 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.288 -0.360 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.058 -0.166 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.177 -1.404 2.544 1.00 0.00 H new ATOM 101 N GLY A 7 -8.190 -1.671 4.421 1.00 0.00 N ATOM 102 CA GLY A 7 -7.606 -2.736 5.213 1.00 0.00 C ATOM 103 C GLY A 7 -7.251 -3.920 4.341 1.00 0.00 C ATOM 104 O GLY A 7 -8.136 -4.564 3.777 1.00 0.00 O ATOM 0 H GLY A 7 -8.730 -1.992 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.713 -2.371 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.307 -3.046 5.988 1.00 0.00 H new ATOM 108 N ILE A 8 -5.959 -4.205 4.202 1.00 0.00 N ATOM 109 CA ILE A 8 -5.530 -5.312 3.359 1.00 0.00 C ATOM 110 C ILE A 8 -5.676 -6.650 4.086 1.00 0.00 C ATOM 111 O ILE A 8 -5.003 -6.904 5.086 1.00 0.00 O ATOM 112 CB ILE A 8 -4.063 -5.124 2.902 1.00 0.00 C ATOM 113 CG1 ILE A 8 -3.951 -3.917 1.967 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.533 -6.380 2.216 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.463 -2.661 2.655 1.00 0.00 C ATOM 0 H ILE A 8 -5.203 -3.692 4.655 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.175 -5.320 2.481 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.453 -4.943 3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.271 -4.162 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.926 -3.722 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.501 -6.217 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.576 -7.219 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.144 -6.602 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.408 -1.848 1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.155 -2.391 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.474 -2.838 3.077 1.00 0.00 H new ATOM 127 N THR A 9 -6.552 -7.503 3.561 1.00 0.00 N ATOM 128 CA THR A 9 -6.788 -8.826 4.135 1.00 0.00 C ATOM 129 C THR A 9 -7.366 -9.768 3.085 1.00 0.00 C ATOM 130 O THR A 9 -8.231 -9.358 2.313 1.00 0.00 O ATOM 131 CB THR A 9 -7.742 -8.730 5.326 1.00 0.00 C ATOM 132 OG1 THR A 9 -7.373 -7.662 6.180 1.00 0.00 O ATOM 133 CG2 THR A 9 -7.783 -9.993 6.158 1.00 0.00 C ATOM 0 H THR A 9 -7.113 -7.300 2.734 1.00 0.00 H new ATOM 0 HA THR A 9 -5.833 -9.223 4.478 1.00 0.00 H new ATOM 0 HB THR A 9 -8.730 -8.565 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.996 -7.616 6.935 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.478 -9.860 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.113 -10.827 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.788 -10.203 6.549 1.00 0.00 H new ATOM 141 N ASP A 10 -6.898 -11.027 3.067 1.00 0.00 N ATOM 142 CA ASP A 10 -7.387 -12.042 2.112 1.00 0.00 C ATOM 143 C ASP A 10 -6.354 -12.432 1.047 1.00 0.00 C ATOM 144 O ASP A 10 -6.382 -13.559 0.553 1.00 0.00 O ATOM 145 CB ASP A 10 -8.654 -11.570 1.398 1.00 0.00 C ATOM 146 CG ASP A 10 -9.362 -12.693 0.666 1.00 0.00 C ATOM 147 OD1 ASP A 10 -8.885 -13.090 -0.417 1.00 0.00 O ATOM 148 OD2 ASP A 10 -10.396 -13.173 1.175 1.00 0.00 O ATOM 0 H ASP A 10 -6.179 -11.370 3.704 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.595 -12.921 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.335 -11.130 2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.396 -10.784 0.688 1.00 0.00 H new ATOM 153 N PRO A 11 -5.453 -11.514 0.641 1.00 0.00 N ATOM 154 CA PRO A 11 -4.458 -11.786 -0.399 1.00 0.00 C ATOM 155 C PRO A 11 -3.894 -13.199 -0.387 1.00 0.00 C ATOM 156 O PRO A 11 -3.094 -13.565 0.474 1.00 0.00 O ATOM 157 CB PRO A 11 -3.385 -10.759 -0.089 1.00 0.00 C ATOM 158 CG PRO A 11 -4.176 -9.577 0.326 1.00 0.00 C ATOM 159 CD PRO A 11 -5.332 -10.123 1.125 1.00 0.00 C ATOM 0 HA PRO A 11 -4.890 -11.714 -1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.717 -11.098 0.703 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.765 -10.546 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.574 -8.893 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.528 -9.017 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.134 -10.086 2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.246 -9.555 0.950 1.00 0.00 H new ATOM 167 N GLU A 12 -4.305 -13.970 -1.386 1.00 0.00 N ATOM 168 CA GLU A 12 -3.842 -15.335 -1.561 1.00 0.00 C ATOM 169 C GLU A 12 -3.152 -15.447 -2.912 1.00 0.00 C ATOM 170 O GLU A 12 -3.442 -14.671 -3.819 1.00 0.00 O ATOM 171 CB GLU A 12 -5.013 -16.319 -1.481 1.00 0.00 C ATOM 172 CG GLU A 12 -6.252 -15.858 -2.230 1.00 0.00 C ATOM 173 CD GLU A 12 -7.438 -16.776 -2.014 1.00 0.00 C ATOM 174 OE1 GLU A 12 -7.528 -17.806 -2.714 1.00 0.00 O ATOM 175 OE2 GLU A 12 -8.278 -16.466 -1.143 1.00 0.00 O ATOM 0 H GLU A 12 -4.969 -13.663 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.141 -15.584 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.695 -17.282 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.271 -16.479 -0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.514 -14.850 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.029 -15.803 -3.295 1.00 0.00 H new ATOM 182 N LYS A 13 -2.234 -16.393 -3.049 1.00 0.00 N ATOM 183 CA LYS A 13 -1.515 -16.555 -4.304 1.00 0.00 C ATOM 184 C LYS A 13 -2.446 -17.061 -5.405 1.00 0.00 C ATOM 185 O LYS A 13 -2.787 -18.243 -5.465 1.00 0.00 O ATOM 186 CB LYS A 13 -0.318 -17.490 -4.116 1.00 0.00 C ATOM 187 CG LYS A 13 0.371 -17.890 -5.413 1.00 0.00 C ATOM 188 CD LYS A 13 1.309 -16.797 -5.905 1.00 0.00 C ATOM 189 CE LYS A 13 2.668 -17.360 -6.292 1.00 0.00 C ATOM 190 NZ LYS A 13 3.738 -16.328 -6.221 1.00 0.00 N ATOM 0 H LYS A 13 -1.972 -17.053 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.138 -15.580 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.410 -17.004 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.652 -18.391 -3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.933 -18.811 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.379 -18.098 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.864 -16.294 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.434 -16.046 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.919 -18.189 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.619 -17.763 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.667 -16.794 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.697 -15.726 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.599 -15.742 -5.373 1.00 0.00 H new ATOM 204 N ILE A 14 -2.846 -16.135 -6.270 1.00 0.00 N ATOM 205 CA ILE A 14 -3.736 -16.423 -7.390 1.00 0.00 C ATOM 206 C ILE A 14 -3.093 -17.398 -8.373 1.00 0.00 C ATOM 207 O ILE A 14 -1.877 -17.575 -8.380 1.00 0.00 O ATOM 208 CB ILE A 14 -4.104 -15.125 -8.150 1.00 0.00 C ATOM 209 CG1 ILE A 14 -4.382 -13.969 -7.182 1.00 0.00 C ATOM 210 CG2 ILE A 14 -5.305 -15.349 -9.047 1.00 0.00 C ATOM 211 CD1 ILE A 14 -5.273 -14.347 -6.025 1.00 0.00 C ATOM 0 H ILE A 14 -2.560 -15.157 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.637 -16.874 -6.973 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.247 -14.855 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.434 -13.597 -6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.844 -13.149 -7.732 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.545 -14.424 -9.571 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.076 -16.129 -9.774 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.158 -15.656 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.425 -13.479 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.235 -14.691 -6.404 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.804 -15.145 -5.450 1.00 0.00 H new ATOM 223 N GLY A 15 -3.922 -18.017 -9.210 1.00 0.00 N ATOM 224 CA GLY A 15 -3.426 -18.961 -10.201 1.00 0.00 C ATOM 225 C GLY A 15 -2.406 -19.937 -9.643 1.00 0.00 C ATOM 226 O GLY A 15 -2.342 -20.157 -8.434 1.00 0.00 O ATOM 0 H GLY A 15 -4.933 -17.882 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.266 -19.520 -10.612 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.976 -18.408 -11.026 1.00 0.00 H new ATOM 230 N ASP A 16 -1.608 -20.523 -10.532 1.00 0.00 N ATOM 231 CA ASP A 16 -0.586 -21.485 -10.131 1.00 0.00 C ATOM 232 C ASP A 16 0.211 -21.968 -11.342 1.00 0.00 C ATOM 233 O ASP A 16 -0.018 -21.520 -12.465 1.00 0.00 O ATOM 234 CB ASP A 16 -1.231 -22.674 -9.417 1.00 0.00 C ATOM 235 CG ASP A 16 -0.570 -22.982 -8.089 1.00 0.00 C ATOM 236 OD1 ASP A 16 -0.022 -22.048 -7.468 1.00 0.00 O ATOM 237 OD2 ASP A 16 -0.602 -24.157 -7.668 1.00 0.00 O ATOM 0 H ASP A 16 -1.650 -20.348 -11.536 1.00 0.00 H new ATOM 0 HA ASP A 16 0.100 -20.989 -9.445 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.288 -22.465 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.175 -23.553 -10.059 1.00 0.00 H new ATOM 242 N GLY A 17 1.144 -22.885 -11.105 1.00 0.00 N ATOM 243 CA GLY A 17 1.956 -23.415 -12.187 1.00 0.00 C ATOM 244 C GLY A 17 3.188 -22.575 -12.461 1.00 0.00 C ATOM 245 O GLY A 17 3.230 -21.832 -13.442 1.00 0.00 O ATOM 0 H GLY A 17 1.353 -23.271 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.262 -24.432 -11.941 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.353 -23.474 -13.093 1.00 0.00 H new ATOM 249 N MET A 18 4.191 -22.698 -11.590 1.00 0.00 N ATOM 250 CA MET A 18 5.449 -21.955 -11.723 1.00 0.00 C ATOM 251 C MET A 18 5.227 -20.552 -12.289 1.00 0.00 C ATOM 252 O MET A 18 6.048 -20.042 -13.050 1.00 0.00 O ATOM 253 CB MET A 18 6.437 -22.722 -12.609 1.00 0.00 C ATOM 254 CG MET A 18 5.798 -23.386 -13.819 1.00 0.00 C ATOM 255 SD MET A 18 5.030 -24.968 -13.421 1.00 0.00 S ATOM 256 CE MET A 18 6.409 -25.836 -12.678 1.00 0.00 C ATOM 0 H MET A 18 4.157 -23.312 -10.776 1.00 0.00 H new ATOM 0 HA MET A 18 5.867 -21.851 -10.722 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.211 -22.035 -12.951 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.931 -23.485 -12.008 1.00 0.00 H new ATOM 0 HG2 MET A 18 5.047 -22.718 -14.240 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.556 -23.538 -14.587 1.00 0.00 H new ATOM 0 HE1 MET A 18 6.244 -26.911 -12.751 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.328 -25.574 -13.201 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.495 -25.552 -11.629 1.00 0.00 H new ATOM 266 N ASN A 19 4.113 -19.935 -11.910 1.00 0.00 N ATOM 267 CA ASN A 19 3.785 -18.592 -12.378 1.00 0.00 C ATOM 268 C ASN A 19 2.441 -18.137 -11.816 1.00 0.00 C ATOM 269 O ASN A 19 1.411 -18.238 -12.482 1.00 0.00 O ATOM 270 CB ASN A 19 3.752 -18.554 -13.909 1.00 0.00 C ATOM 271 CG ASN A 19 4.395 -17.301 -14.472 1.00 0.00 C ATOM 272 OD1 ASN A 19 5.207 -16.654 -13.809 1.00 0.00 O ATOM 273 ND2 ASN A 19 4.035 -16.951 -15.702 1.00 0.00 N ATOM 0 H ASN A 19 3.422 -20.343 -11.280 1.00 0.00 H new ATOM 0 HA ASN A 19 4.558 -17.910 -12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.266 -19.431 -14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.718 -18.612 -14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.435 -16.117 -16.133 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.359 -17.516 -16.216 1.00 0.00 H new ATOM 280 N ALA A 20 2.459 -17.638 -10.584 1.00 0.00 N ATOM 281 CA ALA A 20 1.242 -17.173 -9.932 1.00 0.00 C ATOM 282 C ALA A 20 1.486 -15.883 -9.155 1.00 0.00 C ATOM 283 O ALA A 20 2.622 -15.556 -8.810 1.00 0.00 O ATOM 284 CB ALA A 20 0.696 -18.252 -9.008 1.00 0.00 C ATOM 0 H ALA A 20 3.303 -17.546 -10.018 1.00 0.00 H new ATOM 0 HA ALA A 20 0.505 -16.962 -10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.213 -17.893 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.470 -19.147 -9.587 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.439 -18.490 -8.247 1.00 0.00 H new ATOM 290 N TYR A 21 0.408 -15.156 -8.880 1.00 0.00 N ATOM 291 CA TYR A 21 0.490 -13.902 -8.139 1.00 0.00 C ATOM 292 C TYR A 21 -0.613 -13.833 -7.109 1.00 0.00 C ATOM 293 O TYR A 21 -1.670 -14.412 -7.311 1.00 0.00 O ATOM 294 CB TYR A 21 0.339 -12.710 -9.087 1.00 0.00 C ATOM 295 CG TYR A 21 -0.958 -12.715 -9.880 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.210 -12.584 -9.260 1.00 0.00 C ATOM 297 CD2 TYR A 21 -0.931 -12.849 -11.263 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.375 -12.588 -10.004 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.095 -12.853 -12.008 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.311 -12.722 -11.375 1.00 0.00 C ATOM 301 OH TYR A 21 -4.471 -12.725 -12.116 1.00 0.00 O ATOM 0 H TYR A 21 -0.538 -15.415 -9.161 1.00 0.00 H new ATOM 0 HA TYR A 21 1.463 -13.863 -7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.396 -11.788 -8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.179 -12.702 -9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.264 -12.479 -8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.019 -12.952 -11.766 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.332 -12.487 -9.513 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.051 -12.958 -13.082 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.252 -12.827 -13.066 1.00 0.00 H new ATOM 311 N VAL A 22 -0.398 -13.093 -6.030 1.00 0.00 N ATOM 312 CA VAL A 22 -1.443 -12.946 -5.033 1.00 0.00 C ATOM 313 C VAL A 22 -2.166 -11.631 -5.234 1.00 0.00 C ATOM 314 O VAL A 22 -1.561 -10.601 -5.527 1.00 0.00 O ATOM 315 CB VAL A 22 -0.956 -13.040 -3.571 1.00 0.00 C ATOM 316 CG1 VAL A 22 0.468 -12.533 -3.429 1.00 0.00 C ATOM 317 CG2 VAL A 22 -1.915 -12.288 -2.640 1.00 0.00 C ATOM 0 H VAL A 22 0.470 -12.597 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.112 -13.793 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.953 -14.090 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.780 -12.613 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.131 -13.131 -4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.516 -11.490 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.559 -12.363 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.959 -11.239 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.910 -12.727 -2.712 1.00 0.00 H new ATOM 327 N ALA A 23 -3.466 -11.694 -5.069 1.00 0.00 N ATOM 328 CA ALA A 23 -4.322 -10.543 -5.218 1.00 0.00 C ATOM 329 C ALA A 23 -4.291 -9.681 -3.961 1.00 0.00 C ATOM 330 O ALA A 23 -4.048 -10.181 -2.863 1.00 0.00 O ATOM 331 CB ALA A 23 -5.720 -11.036 -5.500 1.00 0.00 C ATOM 0 H ALA A 23 -3.962 -12.551 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.974 -9.921 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.390 -10.184 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.720 -11.626 -6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.062 -11.655 -4.670 1.00 0.00 H new ATOM 337 N TYR A 24 -4.535 -8.387 -4.124 1.00 0.00 N ATOM 338 CA TYR A 24 -4.532 -7.469 -2.992 1.00 0.00 C ATOM 339 C TYR A 24 -5.932 -6.951 -2.713 1.00 0.00 C ATOM 340 O TYR A 24 -6.419 -6.055 -3.401 1.00 0.00 O ATOM 341 CB TYR A 24 -3.588 -6.299 -3.252 1.00 0.00 C ATOM 342 CG TYR A 24 -2.151 -6.615 -2.937 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.448 -7.563 -3.669 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.501 -5.967 -1.902 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.130 -7.855 -3.374 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.184 -6.251 -1.599 1.00 0.00 C ATOM 347 CZ TYR A 24 0.498 -7.197 -2.338 1.00 0.00 C ATOM 348 OH TYR A 24 1.810 -7.484 -2.040 1.00 0.00 O ATOM 0 H TYR A 24 -4.736 -7.951 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.182 -8.017 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.667 -6.002 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.905 -5.445 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.939 -8.080 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.032 -5.227 -1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.405 -8.594 -3.952 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.310 -5.736 -0.788 1.00 0.00 H new ATOM 0 HH TYR A 24 2.378 -7.249 -2.803 1.00 0.00 H new ATOM 358 N LYS A 25 -6.574 -7.513 -1.697 1.00 0.00 N ATOM 359 CA LYS A 25 -7.917 -7.095 -1.338 1.00 0.00 C ATOM 360 C LYS A 25 -7.879 -5.806 -0.534 1.00 0.00 C ATOM 361 O LYS A 25 -7.820 -5.824 0.695 1.00 0.00 O ATOM 362 CB LYS A 25 -8.632 -8.189 -0.545 1.00 0.00 C ATOM 363 CG LYS A 25 -10.117 -7.926 -0.351 1.00 0.00 C ATOM 364 CD LYS A 25 -10.926 -8.362 -1.563 1.00 0.00 C ATOM 365 CE LYS A 25 -10.785 -7.376 -2.715 1.00 0.00 C ATOM 366 NZ LYS A 25 -11.868 -7.531 -3.730 1.00 0.00 N ATOM 0 H LYS A 25 -6.187 -8.254 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.472 -6.916 -2.259 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.504 -9.142 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.158 -8.287 0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.469 -8.458 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.278 -6.864 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.596 -9.349 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.977 -8.452 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.800 -6.359 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.817 -7.518 -3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.446 -7.647 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.441 -8.369 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.474 -6.686 -3.723 1.00 0.00 H new ATOM 380 N VAL A 26 -7.916 -4.690 -1.246 1.00 0.00 N ATOM 381 CA VAL A 26 -7.892 -3.380 -0.621 1.00 0.00 C ATOM 382 C VAL A 26 -9.312 -2.874 -0.397 1.00 0.00 C ATOM 383 O VAL A 26 -9.933 -2.319 -1.303 1.00 0.00 O ATOM 384 CB VAL A 26 -7.116 -2.372 -1.489 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.918 -1.061 -0.745 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.778 -2.960 -1.923 1.00 0.00 C ATOM 0 H VAL A 26 -7.963 -4.668 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.388 -3.475 0.341 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.703 -2.165 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.368 -0.364 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.889 -0.635 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.355 -1.244 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.243 -2.234 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.183 -3.200 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.950 -3.867 -2.502 1.00 0.00 H new ATOM 396 N THR A 27 -9.828 -3.081 0.811 1.00 0.00 N ATOM 397 CA THR A 27 -11.182 -2.655 1.141 1.00 0.00 C ATOM 398 C THR A 27 -11.205 -1.201 1.587 1.00 0.00 C ATOM 399 O THR A 27 -11.364 -0.902 2.770 1.00 0.00 O ATOM 400 CB THR A 27 -11.776 -3.547 2.230 1.00 0.00 C ATOM 401 OG1 THR A 27 -11.779 -4.904 1.822 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.197 -3.175 2.597 1.00 0.00 C ATOM 0 H THR A 27 -9.330 -3.539 1.574 1.00 0.00 H new ATOM 0 HA THR A 27 -11.789 -2.747 0.240 1.00 0.00 H new ATOM 0 HB THR A 27 -11.140 -3.399 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.161 -5.459 2.534 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.560 -3.847 3.375 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.221 -2.149 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.835 -3.262 1.717 1.00 0.00 H new ATOM 410 N THR A 28 -11.054 -0.302 0.624 1.00 0.00 N ATOM 411 CA THR A 28 -11.065 1.125 0.899 1.00 0.00 C ATOM 412 C THR A 28 -12.498 1.633 1.007 1.00 0.00 C ATOM 413 O THR A 28 -13.380 1.187 0.272 1.00 0.00 O ATOM 414 CB THR A 28 -10.319 1.879 -0.204 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.960 1.483 -0.251 1.00 0.00 O ATOM 416 CG2 THR A 28 -10.354 3.381 -0.037 1.00 0.00 C ATOM 0 H THR A 28 -10.922 -0.539 -0.359 1.00 0.00 H new ATOM 0 HA THR A 28 -10.561 1.302 1.849 1.00 0.00 H new ATOM 0 HB THR A 28 -10.838 1.623 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.718 1.254 -1.173 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.806 3.851 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.388 3.724 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.893 3.652 0.913 1.00 0.00 H new ATOM 424 N GLN A 29 -12.726 2.568 1.921 1.00 0.00 N ATOM 425 CA GLN A 29 -14.055 3.130 2.113 1.00 0.00 C ATOM 426 C GLN A 29 -13.991 4.637 2.280 1.00 0.00 C ATOM 427 O GLN A 29 -13.703 5.140 3.366 1.00 0.00 O ATOM 428 CB GLN A 29 -14.736 2.520 3.336 1.00 0.00 C ATOM 429 CG GLN A 29 -13.828 2.419 4.550 1.00 0.00 C ATOM 430 CD GLN A 29 -13.582 0.985 4.980 1.00 0.00 C ATOM 431 OE1 GLN A 29 -13.561 0.678 6.172 1.00 0.00 O ATOM 432 NE2 GLN A 29 -13.393 0.100 4.009 1.00 0.00 N ATOM 0 H GLN A 29 -12.010 2.951 2.538 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.637 2.893 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.608 3.121 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.099 1.525 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.874 2.895 4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.273 2.971 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.419 0.399 3.034 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.222 -0.879 4.238 1.00 0.00 H new ATOM 441 N THR A 30 -14.279 5.353 1.208 1.00 0.00 N ATOM 442 CA THR A 30 -14.272 6.805 1.251 1.00 0.00 C ATOM 443 C THR A 30 -15.585 7.350 0.712 1.00 0.00 C ATOM 444 O THR A 30 -15.790 7.439 -0.499 1.00 0.00 O ATOM 445 CB THR A 30 -13.100 7.357 0.442 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.260 8.744 0.202 1.00 0.00 O ATOM 447 CG2 THR A 30 -12.946 6.674 -0.892 1.00 0.00 C ATOM 0 H THR A 30 -14.520 4.955 0.300 1.00 0.00 H new ATOM 0 HA THR A 30 -14.157 7.122 2.287 1.00 0.00 H new ATOM 0 HB THR A 30 -12.210 7.169 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.839 9.252 0.927 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.099 7.105 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.774 5.609 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.854 6.814 -1.479 1.00 0.00 H new ATOM 455 N SER A 31 -16.467 7.709 1.627 1.00 0.00 N ATOM 456 CA SER A 31 -17.774 8.248 1.271 1.00 0.00 C ATOM 457 C SER A 31 -17.630 9.515 0.436 1.00 0.00 C ATOM 458 O SER A 31 -18.529 9.875 -0.325 1.00 0.00 O ATOM 459 CB SER A 31 -18.586 8.545 2.533 1.00 0.00 C ATOM 460 OG SER A 31 -19.956 8.235 2.344 1.00 0.00 O ATOM 0 H SER A 31 -16.303 7.637 2.631 1.00 0.00 H new ATOM 0 HA SER A 31 -18.299 7.500 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.191 7.966 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.481 9.597 2.797 1.00 0.00 H new ATOM 0 HG SER A 31 -20.452 8.432 3.166 1.00 0.00 H new ATOM 466 N LEU A 32 -16.492 10.185 0.579 1.00 0.00 N ATOM 467 CA LEU A 32 -16.231 11.409 -0.165 1.00 0.00 C ATOM 468 C LEU A 32 -16.248 11.138 -1.667 1.00 0.00 C ATOM 469 O LEU A 32 -15.510 10.282 -2.157 1.00 0.00 O ATOM 470 CB LEU A 32 -14.880 11.998 0.248 1.00 0.00 C ATOM 471 CG LEU A 32 -14.931 12.987 1.415 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.706 12.396 2.583 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.524 13.376 1.847 1.00 0.00 C ATOM 0 H LEU A 32 -15.737 9.901 1.203 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.017 12.128 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.211 11.180 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.441 12.500 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.448 13.887 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.731 13.114 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.724 12.170 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.218 11.480 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.580 14.080 2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.981 12.485 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.003 13.842 1.011 1.00 0.00 H new ATOM 485 N PRO A 33 -17.089 11.864 -2.425 1.00 0.00 N ATOM 486 CA PRO A 33 -17.187 11.688 -3.877 1.00 0.00 C ATOM 487 C PRO A 33 -15.865 11.984 -4.574 1.00 0.00 C ATOM 488 O PRO A 33 -15.654 13.083 -5.088 1.00 0.00 O ATOM 489 CB PRO A 33 -18.255 12.703 -4.300 1.00 0.00 C ATOM 490 CG PRO A 33 -18.327 13.683 -3.178 1.00 0.00 C ATOM 491 CD PRO A 33 -18.005 12.908 -1.935 1.00 0.00 C ATOM 0 HA PRO A 33 -17.437 10.662 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -17.984 13.194 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -19.218 12.218 -4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -17.618 14.498 -3.325 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -19.319 14.131 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -17.534 13.536 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -18.900 12.480 -1.483 1.00 0.00 H new ATOM 499 N LEU A 34 -14.972 11.000 -4.580 1.00 0.00 N ATOM 500 CA LEU A 34 -13.667 11.162 -5.205 1.00 0.00 C ATOM 501 C LEU A 34 -13.310 9.958 -6.069 1.00 0.00 C ATOM 502 O LEU A 34 -13.224 10.066 -7.292 1.00 0.00 O ATOM 503 CB LEU A 34 -12.592 11.373 -4.137 1.00 0.00 C ATOM 504 CG LEU A 34 -12.304 12.834 -3.789 1.00 0.00 C ATOM 505 CD1 LEU A 34 -13.115 13.263 -2.577 1.00 0.00 C ATOM 506 CD2 LEU A 34 -10.817 13.040 -3.537 1.00 0.00 C ATOM 0 H LEU A 34 -15.129 10.084 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.714 12.040 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.896 10.852 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.667 10.907 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.598 13.454 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -12.897 14.305 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.178 13.154 -2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.852 12.638 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.631 14.085 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.498 12.409 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.256 12.773 -4.432 1.00 0.00 H new ATOM 518 N PHE A 35 -13.086 8.812 -5.430 1.00 0.00 N ATOM 519 CA PHE A 35 -12.720 7.602 -6.158 1.00 0.00 C ATOM 520 C PHE A 35 -13.234 6.342 -5.470 1.00 0.00 C ATOM 521 O PHE A 35 -12.459 5.441 -5.155 1.00 0.00 O ATOM 522 CB PHE A 35 -11.199 7.525 -6.303 1.00 0.00 C ATOM 523 CG PHE A 35 -10.632 8.553 -7.239 1.00 0.00 C ATOM 524 CD1 PHE A 35 -10.763 8.406 -8.610 1.00 0.00 C ATOM 525 CD2 PHE A 35 -9.970 9.666 -6.748 1.00 0.00 C ATOM 526 CE1 PHE A 35 -10.243 9.351 -9.475 1.00 0.00 C ATOM 527 CE2 PHE A 35 -9.447 10.614 -7.606 1.00 0.00 C ATOM 528 CZ PHE A 35 -9.584 10.457 -8.972 1.00 0.00 C ATOM 0 H PHE A 35 -13.151 8.697 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.187 7.656 -7.141 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.742 7.648 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -10.926 6.532 -6.659 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -11.277 7.544 -9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.861 9.794 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -10.352 9.225 -10.542 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.932 11.477 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.177 11.197 -9.645 1.00 0.00 H new ATOM 538 N ARG A 36 -14.542 6.273 -5.256 1.00 0.00 N ATOM 539 CA ARG A 36 -15.152 5.109 -4.620 1.00 0.00 C ATOM 540 C ARG A 36 -16.667 5.141 -4.783 1.00 0.00 C ATOM 541 O ARG A 36 -17.255 4.265 -5.417 1.00 0.00 O ATOM 542 CB ARG A 36 -14.795 5.056 -3.131 1.00 0.00 C ATOM 543 CG ARG A 36 -13.447 4.409 -2.820 1.00 0.00 C ATOM 544 CD ARG A 36 -13.213 3.134 -3.627 1.00 0.00 C ATOM 545 NE ARG A 36 -14.451 2.393 -3.865 1.00 0.00 N ATOM 546 CZ ARG A 36 -14.719 1.726 -4.987 1.00 0.00 C ATOM 547 NH1 ARG A 36 -13.834 1.686 -5.978 1.00 0.00 N ATOM 548 NH2 ARG A 36 -15.876 1.092 -5.118 1.00 0.00 N ATOM 0 H ARG A 36 -15.201 7.008 -5.513 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.761 4.217 -5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.795 6.072 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -15.576 4.508 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.648 5.120 -3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.395 4.177 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.756 3.390 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.506 2.496 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.154 2.386 -3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.940 2.169 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.049 1.173 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.559 1.115 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.083 0.581 -5.976 1.00 0.00 H new ATOM 562 N SER A 37 -17.290 6.166 -4.212 1.00 0.00 N ATOM 563 CA SER A 37 -18.739 6.334 -4.292 1.00 0.00 C ATOM 564 C SER A 37 -19.484 5.276 -3.478 1.00 0.00 C ATOM 565 O SER A 37 -20.209 5.603 -2.539 1.00 0.00 O ATOM 566 CB SER A 37 -19.201 6.281 -5.751 1.00 0.00 C ATOM 567 OG SER A 37 -20.539 6.733 -5.880 1.00 0.00 O ATOM 0 H SER A 37 -16.812 6.898 -3.686 1.00 0.00 H new ATOM 0 HA SER A 37 -18.974 7.310 -3.868 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.545 6.897 -6.366 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.121 5.260 -6.124 1.00 0.00 H new ATOM 0 HG SER A 37 -20.809 6.691 -6.821 1.00 0.00 H new ATOM 573 N LYS A 38 -19.322 4.010 -3.855 1.00 0.00 N ATOM 574 CA LYS A 38 -20.005 2.915 -3.167 1.00 0.00 C ATOM 575 C LYS A 38 -19.133 2.277 -2.087 1.00 0.00 C ATOM 576 O LYS A 38 -19.649 1.675 -1.145 1.00 0.00 O ATOM 577 CB LYS A 38 -20.436 1.849 -4.176 1.00 0.00 C ATOM 578 CG LYS A 38 -21.734 2.182 -4.895 1.00 0.00 C ATOM 579 CD LYS A 38 -22.909 2.224 -3.932 1.00 0.00 C ATOM 580 CE LYS A 38 -24.237 2.179 -4.672 1.00 0.00 C ATOM 581 NZ LYS A 38 -24.478 3.420 -5.457 1.00 0.00 N ATOM 0 H LYS A 38 -18.727 3.717 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.881 3.339 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.645 1.718 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.551 0.896 -3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.637 3.146 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -21.923 1.439 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.846 1.382 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.856 3.132 -3.331 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.251 1.318 -5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -25.047 2.040 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -25.393 3.349 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -24.490 4.239 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -23.719 3.540 -6.158 1.00 0.00 H new ATOM 595 N GLN A 39 -17.816 2.397 -2.224 1.00 0.00 N ATOM 596 CA GLN A 39 -16.895 1.810 -1.250 1.00 0.00 C ATOM 597 C GLN A 39 -16.943 0.286 -1.323 1.00 0.00 C ATOM 598 O GLN A 39 -18.023 -0.305 -1.336 1.00 0.00 O ATOM 599 CB GLN A 39 -17.248 2.267 0.169 1.00 0.00 C ATOM 600 CG GLN A 39 -17.646 3.731 0.263 1.00 0.00 C ATOM 601 CD GLN A 39 -17.768 4.209 1.697 1.00 0.00 C ATOM 602 OE1 GLN A 39 -17.331 5.308 2.036 1.00 0.00 O ATOM 603 NE2 GLN A 39 -18.364 3.381 2.548 1.00 0.00 N ATOM 0 H GLN A 39 -17.363 2.891 -2.993 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.887 2.148 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.067 1.653 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.392 2.091 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.906 4.339 -0.258 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -18.597 3.879 -0.248 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.712 2.479 2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -18.474 3.648 3.526 1.00 0.00 H new ATOM 612 N PHE A 40 -15.773 -0.351 -1.365 1.00 0.00 N ATOM 613 CA PHE A 40 -15.709 -1.811 -1.431 1.00 0.00 C ATOM 614 C PHE A 40 -14.266 -2.318 -1.422 1.00 0.00 C ATOM 615 O PHE A 40 -13.347 -1.609 -1.011 1.00 0.00 O ATOM 616 CB PHE A 40 -16.441 -2.326 -2.681 1.00 0.00 C ATOM 617 CG PHE A 40 -15.664 -2.192 -3.968 1.00 0.00 C ATOM 618 CD1 PHE A 40 -14.638 -1.265 -4.097 1.00 0.00 C ATOM 619 CD2 PHE A 40 -15.966 -3.002 -5.053 1.00 0.00 C ATOM 620 CE1 PHE A 40 -13.931 -1.151 -5.279 1.00 0.00 C ATOM 621 CE2 PHE A 40 -15.262 -2.892 -6.236 1.00 0.00 C ATOM 622 CZ PHE A 40 -14.243 -1.966 -6.350 1.00 0.00 C ATOM 0 H PHE A 40 -14.866 0.115 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.204 -2.198 -0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -16.691 -3.376 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.382 -1.785 -2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -14.389 -0.625 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -16.762 -3.728 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.136 -0.426 -5.365 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -15.508 -3.530 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.691 -1.879 -7.275 1.00 0.00 H new ATOM 632 N ALA A 41 -14.084 -3.557 -1.878 1.00 0.00 N ATOM 633 CA ALA A 41 -12.769 -4.180 -1.929 1.00 0.00 C ATOM 634 C ALA A 41 -12.248 -4.246 -3.362 1.00 0.00 C ATOM 635 O ALA A 41 -13.012 -4.475 -4.300 1.00 0.00 O ATOM 636 CB ALA A 41 -12.844 -5.571 -1.315 1.00 0.00 C ATOM 0 H ALA A 41 -14.840 -4.150 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.068 -3.573 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.860 -6.039 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.170 -5.494 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.556 -6.178 -1.875 1.00 0.00 H new ATOM 642 N VAL A 42 -10.942 -4.040 -3.527 1.00 0.00 N ATOM 643 CA VAL A 42 -10.323 -4.069 -4.849 1.00 0.00 C ATOM 644 C VAL A 42 -9.420 -5.291 -5.012 1.00 0.00 C ATOM 645 O VAL A 42 -8.738 -5.698 -4.074 1.00 0.00 O ATOM 646 CB VAL A 42 -9.495 -2.788 -5.098 1.00 0.00 C ATOM 647 CG1 VAL A 42 -8.686 -2.888 -6.387 1.00 0.00 C ATOM 648 CG2 VAL A 42 -10.404 -1.568 -5.126 1.00 0.00 C ATOM 0 H VAL A 42 -10.294 -3.852 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.129 -4.125 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.789 -2.679 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.116 -1.970 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.002 -3.734 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.362 -3.031 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.807 -0.673 -5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.137 -1.678 -5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.920 -1.477 -4.170 1.00 0.00 H new ATOM 658 N LYS A 43 -9.412 -5.862 -6.215 1.00 0.00 N ATOM 659 CA LYS A 43 -8.578 -7.025 -6.506 1.00 0.00 C ATOM 660 C LYS A 43 -7.480 -6.650 -7.496 1.00 0.00 C ATOM 661 O LYS A 43 -7.762 -6.230 -8.617 1.00 0.00 O ATOM 662 CB LYS A 43 -9.425 -8.168 -7.079 1.00 0.00 C ATOM 663 CG LYS A 43 -9.193 -9.507 -6.396 1.00 0.00 C ATOM 664 CD LYS A 43 -9.485 -9.429 -4.906 1.00 0.00 C ATOM 665 CE LYS A 43 -10.774 -10.151 -4.531 1.00 0.00 C ATOM 666 NZ LYS A 43 -11.783 -10.122 -5.628 1.00 0.00 N ATOM 0 H LYS A 43 -9.973 -5.538 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.122 -7.361 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.479 -7.905 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.208 -8.271 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.829 -10.265 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.161 -9.821 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.653 -9.864 -4.352 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.556 -8.383 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.546 -11.187 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.198 -9.691 -3.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.726 -10.325 -5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.787 -9.181 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.541 -10.839 -6.341 1.00 0.00 H new ATOM 680 N ARG A 44 -6.230 -6.800 -7.074 1.00 0.00 N ATOM 681 CA ARG A 44 -5.096 -6.469 -7.930 1.00 0.00 C ATOM 682 C ARG A 44 -3.857 -7.269 -7.539 1.00 0.00 C ATOM 683 O ARG A 44 -3.633 -7.551 -6.363 1.00 0.00 O ATOM 684 CB ARG A 44 -4.794 -4.971 -7.856 1.00 0.00 C ATOM 685 CG ARG A 44 -4.928 -4.385 -6.457 1.00 0.00 C ATOM 686 CD ARG A 44 -5.275 -2.907 -6.507 1.00 0.00 C ATOM 687 NE ARG A 44 -4.304 -2.148 -7.290 1.00 0.00 N ATOM 688 CZ ARG A 44 -3.132 -1.730 -6.816 1.00 0.00 C ATOM 689 NH1 ARG A 44 -2.783 -1.991 -5.563 1.00 0.00 N ATOM 690 NH2 ARG A 44 -2.306 -1.054 -7.598 1.00 0.00 N ATOM 0 H ARG A 44 -5.976 -7.147 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.363 -6.731 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.781 -4.796 -8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.468 -4.440 -8.528 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.700 -4.923 -5.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.994 -4.523 -5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.268 -2.781 -6.939 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.315 -2.509 -5.493 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.537 -1.925 -8.258 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.414 -2.515 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.884 -1.668 -5.206 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.567 -0.853 -8.563 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.408 -0.734 -7.235 1.00 0.00 H new ATOM 704 N ARG A 45 -3.054 -7.628 -8.534 1.00 0.00 N ATOM 705 CA ARG A 45 -1.835 -8.393 -8.293 1.00 0.00 C ATOM 706 C ARG A 45 -0.778 -7.532 -7.610 1.00 0.00 C ATOM 707 O ARG A 45 -0.925 -6.315 -7.510 1.00 0.00 O ATOM 708 CB ARG A 45 -1.287 -8.951 -9.609 1.00 0.00 C ATOM 709 CG ARG A 45 -1.149 -7.907 -10.707 1.00 0.00 C ATOM 710 CD ARG A 45 -0.418 -8.466 -11.918 1.00 0.00 C ATOM 711 NE ARG A 45 -1.023 -8.025 -13.174 1.00 0.00 N ATOM 712 CZ ARG A 45 -2.165 -8.510 -13.656 1.00 0.00 C ATOM 713 NH1 ARG A 45 -2.827 -9.452 -12.995 1.00 0.00 N ATOM 714 NH2 ARG A 45 -2.647 -8.053 -14.804 1.00 0.00 N ATOM 0 H ARG A 45 -3.224 -7.402 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.082 -9.223 -7.632 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.312 -9.402 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.945 -9.747 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.138 -7.559 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.609 -7.042 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.625 -8.152 -11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.425 -9.555 -11.875 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.542 -7.304 -13.712 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.461 -9.808 -12.112 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.702 -9.819 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.143 -7.330 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.522 -8.424 -15.174 1.00 0.00 H new ATOM 728 N PHE A 46 0.288 -8.175 -7.142 1.00 0.00 N ATOM 729 CA PHE A 46 1.373 -7.471 -6.467 1.00 0.00 C ATOM 730 C PHE A 46 1.986 -6.408 -7.377 1.00 0.00 C ATOM 731 O PHE A 46 2.394 -5.342 -6.916 1.00 0.00 O ATOM 732 CB PHE A 46 2.450 -8.468 -6.021 1.00 0.00 C ATOM 733 CG PHE A 46 3.714 -7.823 -5.523 1.00 0.00 C ATOM 734 CD1 PHE A 46 3.667 -6.699 -4.715 1.00 0.00 C ATOM 735 CD2 PHE A 46 4.951 -8.346 -5.866 1.00 0.00 C ATOM 736 CE1 PHE A 46 4.829 -6.107 -4.259 1.00 0.00 C ATOM 737 CE2 PHE A 46 6.117 -7.758 -5.413 1.00 0.00 C ATOM 738 CZ PHE A 46 6.056 -6.638 -4.608 1.00 0.00 C ATOM 0 H PHE A 46 0.423 -9.183 -7.218 1.00 0.00 H new ATOM 0 HA PHE A 46 0.962 -6.972 -5.590 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.041 -9.099 -5.232 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.694 -9.122 -6.858 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.711 -6.280 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.004 -9.223 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.778 -5.230 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.075 -8.174 -5.688 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.966 -6.178 -4.252 1.00 0.00 H new ATOM 748 N SER A 47 2.051 -6.708 -8.669 1.00 0.00 N ATOM 749 CA SER A 47 2.617 -5.782 -9.643 1.00 0.00 C ATOM 750 C SER A 47 1.864 -4.455 -9.648 1.00 0.00 C ATOM 751 O SER A 47 2.441 -3.405 -9.926 1.00 0.00 O ATOM 752 CB SER A 47 2.590 -6.400 -11.042 1.00 0.00 C ATOM 753 OG SER A 47 2.996 -7.757 -11.010 1.00 0.00 O ATOM 0 H SER A 47 1.718 -7.586 -9.067 1.00 0.00 H new ATOM 0 HA SER A 47 3.650 -5.587 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.584 -6.328 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.247 -5.836 -11.704 1.00 0.00 H new ATOM 0 HG SER A 47 2.968 -8.128 -11.917 1.00 0.00 H new ATOM 759 N ASP A 48 0.571 -4.511 -9.348 1.00 0.00 N ATOM 760 CA ASP A 48 -0.259 -3.311 -9.328 1.00 0.00 C ATOM 761 C ASP A 48 0.140 -2.377 -8.187 1.00 0.00 C ATOM 762 O ASP A 48 0.369 -1.188 -8.399 1.00 0.00 O ATOM 763 CB ASP A 48 -1.734 -3.692 -9.198 1.00 0.00 C ATOM 764 CG ASP A 48 -2.215 -4.548 -10.353 1.00 0.00 C ATOM 765 OD1 ASP A 48 -1.361 -5.095 -11.083 1.00 0.00 O ATOM 766 OD2 ASP A 48 -3.446 -4.671 -10.530 1.00 0.00 O ATOM 0 H ASP A 48 0.076 -5.372 -9.116 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.104 -2.782 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.886 -4.231 -8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.337 -2.786 -9.146 1.00 0.00 H new ATOM 771 N PHE A 49 0.220 -2.922 -6.977 1.00 0.00 N ATOM 772 CA PHE A 49 0.588 -2.133 -5.806 1.00 0.00 C ATOM 773 C PHE A 49 2.082 -1.827 -5.789 1.00 0.00 C ATOM 774 O PHE A 49 2.515 -0.836 -5.201 1.00 0.00 O ATOM 775 CB PHE A 49 0.188 -2.845 -4.513 1.00 0.00 C ATOM 776 CG PHE A 49 0.083 -1.911 -3.341 1.00 0.00 C ATOM 777 CD1 PHE A 49 1.224 -1.399 -2.743 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.155 -1.534 -2.843 1.00 0.00 C ATOM 779 CE1 PHE A 49 1.133 -0.532 -1.672 1.00 0.00 C ATOM 780 CE2 PHE A 49 -1.251 -0.665 -1.772 1.00 0.00 C ATOM 781 CZ PHE A 49 -0.106 -0.165 -1.185 1.00 0.00 C ATOM 0 H PHE A 49 0.035 -3.906 -6.782 1.00 0.00 H new ATOM 0 HA PHE A 49 0.043 -1.191 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.770 -3.345 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.921 -3.620 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.196 -1.682 -3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.054 -1.924 -3.297 1.00 0.00 H new ATOM 0 HE1 PHE A 49 2.030 -0.141 -1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.221 -0.377 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.179 0.512 -0.347 1.00 0.00 H new ATOM 791 N LEU A 50 2.869 -2.688 -6.426 1.00 0.00 N ATOM 792 CA LEU A 50 4.316 -2.514 -6.470 1.00 0.00 C ATOM 793 C LEU A 50 4.685 -1.132 -7.003 1.00 0.00 C ATOM 794 O LEU A 50 5.688 -0.549 -6.592 1.00 0.00 O ATOM 795 CB LEU A 50 4.956 -3.597 -7.343 1.00 0.00 C ATOM 796 CG LEU A 50 6.472 -3.470 -7.522 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.191 -4.640 -6.866 1.00 0.00 C ATOM 798 CD2 LEU A 50 6.832 -3.383 -8.999 1.00 0.00 C ATOM 0 H LEU A 50 2.529 -3.514 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 50 4.697 -2.604 -5.453 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.737 -4.571 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.486 -3.575 -8.326 1.00 0.00 H new ATOM 0 HG LEU A 50 6.797 -2.551 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.267 -4.530 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.962 -4.656 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.860 -5.573 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.913 -3.293 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.491 -4.283 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.350 -2.510 -9.440 1.00 0.00 H new ATOM 810 N GLY A 51 3.871 -0.610 -7.915 1.00 0.00 N ATOM 811 CA GLY A 51 4.138 0.703 -8.480 1.00 0.00 C ATOM 812 C GLY A 51 4.436 1.747 -7.415 1.00 0.00 C ATOM 813 O GLY A 51 5.311 2.591 -7.596 1.00 0.00 O ATOM 0 H GLY A 51 3.034 -1.070 -8.273 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.984 0.635 -9.164 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.278 1.024 -9.068 1.00 0.00 H new ATOM 817 N LEU A 52 3.714 1.677 -6.297 1.00 0.00 N ATOM 818 CA LEU A 52 3.912 2.610 -5.189 1.00 0.00 C ATOM 819 C LEU A 52 5.061 2.151 -4.317 1.00 0.00 C ATOM 820 O LEU A 52 5.965 2.917 -3.982 1.00 0.00 O ATOM 821 CB LEU A 52 2.651 2.698 -4.331 1.00 0.00 C ATOM 822 CG LEU A 52 1.377 3.087 -5.073 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.384 3.718 -4.110 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.706 4.029 -6.216 1.00 0.00 C ATOM 0 H LEU A 52 2.985 0.982 -6.135 1.00 0.00 H new ATOM 0 HA LEU A 52 4.136 3.590 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.491 1.732 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.824 3.424 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 52 0.919 2.192 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.522 3.992 -4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.136 3.005 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.825 4.610 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.789 4.300 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.179 4.929 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.387 3.536 -6.910 1.00 0.00 H new ATOM 836 N TYR A 53 4.998 0.886 -3.947 1.00 0.00 N ATOM 837 CA TYR A 53 6.010 0.276 -3.094 1.00 0.00 C ATOM 838 C TYR A 53 7.413 0.494 -3.663 1.00 0.00 C ATOM 839 O TYR A 53 8.333 0.866 -2.936 1.00 0.00 O ATOM 840 CB TYR A 53 5.724 -1.223 -2.935 1.00 0.00 C ATOM 841 CG TYR A 53 6.887 -2.019 -2.381 1.00 0.00 C ATOM 842 CD1 TYR A 53 7.919 -2.440 -3.209 1.00 0.00 C ATOM 843 CD2 TYR A 53 6.950 -2.349 -1.033 1.00 0.00 C ATOM 844 CE1 TYR A 53 8.982 -3.168 -2.709 1.00 0.00 C ATOM 845 CE2 TYR A 53 8.010 -3.076 -0.526 1.00 0.00 C ATOM 846 CZ TYR A 53 9.023 -3.483 -1.367 1.00 0.00 C ATOM 847 OH TYR A 53 10.079 -4.209 -0.866 1.00 0.00 O ATOM 0 H TYR A 53 4.249 0.252 -4.226 1.00 0.00 H new ATOM 0 HA TYR A 53 5.968 0.753 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.864 -1.350 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.446 -1.634 -3.906 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.891 -2.195 -4.260 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.158 -2.032 -0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.777 -3.489 -3.366 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.044 -3.324 0.525 1.00 0.00 H new ATOM 0 HH TYR A 53 9.955 -4.344 0.097 1.00 0.00 H new ATOM 857 N GLU A 54 7.569 0.264 -4.963 1.00 0.00 N ATOM 858 CA GLU A 54 8.862 0.441 -5.615 1.00 0.00 C ATOM 859 C GLU A 54 9.170 1.921 -5.844 1.00 0.00 C ATOM 860 O GLU A 54 10.328 2.337 -5.795 1.00 0.00 O ATOM 861 CB GLU A 54 8.896 -0.313 -6.947 1.00 0.00 C ATOM 862 CG GLU A 54 7.912 0.217 -7.977 1.00 0.00 C ATOM 863 CD GLU A 54 8.593 0.976 -9.100 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.785 0.711 -9.360 1.00 0.00 O ATOM 865 OE2 GLU A 54 7.932 1.837 -9.719 1.00 0.00 O ATOM 0 H GLU A 54 6.820 -0.044 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 54 9.626 0.032 -4.954 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.904 -0.258 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.683 -1.366 -6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.348 -0.616 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.194 0.872 -7.484 1.00 0.00 H new ATOM 872 N LYS A 55 8.131 2.711 -6.105 1.00 0.00 N ATOM 873 CA LYS A 55 8.299 4.142 -6.351 1.00 0.00 C ATOM 874 C LYS A 55 8.717 4.885 -5.086 1.00 0.00 C ATOM 875 O LYS A 55 9.664 5.671 -5.101 1.00 0.00 O ATOM 876 CB LYS A 55 7.002 4.745 -6.895 1.00 0.00 C ATOM 877 CG LYS A 55 6.897 4.692 -8.410 1.00 0.00 C ATOM 878 CD LYS A 55 7.796 5.728 -9.065 1.00 0.00 C ATOM 879 CE LYS A 55 8.255 5.277 -10.442 1.00 0.00 C ATOM 880 NZ LYS A 55 9.218 4.144 -10.364 1.00 0.00 N ATOM 0 H LYS A 55 7.165 2.386 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 55 9.092 4.255 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.154 4.215 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.929 5.783 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.171 3.697 -8.761 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.863 4.863 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.261 6.674 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.665 5.910 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.389 4.977 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.721 6.114 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.849 4.167 -11.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.783 4.228 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.696 3.245 -10.352 1.00 0.00 H new ATOM 894 N LEU A 56 8.001 4.641 -3.994 1.00 0.00 N ATOM 895 CA LEU A 56 8.295 5.300 -2.726 1.00 0.00 C ATOM 896 C LEU A 56 9.574 4.752 -2.101 1.00 0.00 C ATOM 897 O LEU A 56 10.268 5.458 -1.370 1.00 0.00 O ATOM 898 CB LEU A 56 7.124 5.134 -1.756 1.00 0.00 C ATOM 899 CG LEU A 56 5.999 6.160 -1.918 1.00 0.00 C ATOM 900 CD1 LEU A 56 5.348 6.031 -3.289 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.965 5.992 -0.814 1.00 0.00 C ATOM 0 H LEU A 56 7.214 3.993 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 56 8.443 6.361 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.706 4.135 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.505 5.193 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 56 6.429 7.159 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.551 6.769 -3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.095 6.202 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.931 5.030 -3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.172 6.729 -0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.540 4.989 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.441 6.138 0.156 1.00 0.00 H new ATOM 913 N SER A 57 9.882 3.492 -2.390 1.00 0.00 N ATOM 914 CA SER A 57 11.081 2.860 -1.852 1.00 0.00 C ATOM 915 C SER A 57 12.338 3.575 -2.337 1.00 0.00 C ATOM 916 O SER A 57 13.257 3.832 -1.560 1.00 0.00 O ATOM 917 CB SER A 57 11.130 1.385 -2.256 1.00 0.00 C ATOM 918 OG SER A 57 10.602 0.558 -1.233 1.00 0.00 O ATOM 0 H SER A 57 9.320 2.890 -2.992 1.00 0.00 H new ATOM 0 HA SER A 57 11.042 2.931 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.564 1.238 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.160 1.096 -2.466 1.00 0.00 H new ATOM 0 HG SER A 57 9.666 0.349 -1.432 1.00 0.00 H new ATOM 924 N GLU A 58 12.370 3.895 -3.627 1.00 0.00 N ATOM 925 CA GLU A 58 13.512 4.584 -4.216 1.00 0.00 C ATOM 926 C GLU A 58 13.517 6.060 -3.828 1.00 0.00 C ATOM 927 O GLU A 58 14.543 6.599 -3.409 1.00 0.00 O ATOM 928 CB GLU A 58 13.489 4.444 -5.741 1.00 0.00 C ATOM 929 CG GLU A 58 14.456 3.397 -6.269 1.00 0.00 C ATOM 930 CD GLU A 58 14.237 2.032 -5.645 1.00 0.00 C ATOM 931 OE1 GLU A 58 14.774 1.790 -4.544 1.00 0.00 O ATOM 932 OE2 GLU A 58 13.529 1.207 -6.258 1.00 0.00 O ATOM 0 H GLU A 58 11.618 3.688 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 58 14.421 4.123 -3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.479 4.187 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.729 5.408 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.346 3.320 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.478 3.721 -6.075 1.00 0.00 H new ATOM 939 N LYS A 59 12.366 6.708 -3.972 1.00 0.00 N ATOM 940 CA LYS A 59 12.234 8.121 -3.640 1.00 0.00 C ATOM 941 C LYS A 59 12.466 8.359 -2.151 1.00 0.00 C ATOM 942 O LYS A 59 13.097 9.342 -1.762 1.00 0.00 O ATOM 943 CB LYS A 59 10.847 8.632 -4.040 1.00 0.00 C ATOM 944 CG LYS A 59 10.622 10.102 -3.718 1.00 0.00 C ATOM 945 CD LYS A 59 9.459 10.298 -2.756 1.00 0.00 C ATOM 946 CE LYS A 59 8.268 10.948 -3.444 1.00 0.00 C ATOM 947 NZ LYS A 59 7.954 10.294 -4.744 1.00 0.00 N ATOM 0 H LYS A 59 11.509 6.275 -4.317 1.00 0.00 H new ATOM 0 HA LYS A 59 12.993 8.670 -4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.707 8.478 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.089 8.037 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.529 10.522 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.428 10.650 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.161 9.334 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.779 10.918 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.397 10.894 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.477 12.005 -3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.930 10.341 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.458 10.784 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.254 9.299 -4.713 1.00 0.00 H new ATOM 961 N HIS A 60 11.950 7.456 -1.324 1.00 0.00 N ATOM 962 CA HIS A 60 12.100 7.572 0.123 1.00 0.00 C ATOM 963 C HIS A 60 11.407 8.830 0.639 1.00 0.00 C ATOM 964 O HIS A 60 10.971 9.675 -0.143 1.00 0.00 O ATOM 965 CB HIS A 60 13.582 7.595 0.506 1.00 0.00 C ATOM 966 CG HIS A 60 13.914 6.705 1.662 1.00 0.00 C ATOM 967 ND1 HIS A 60 13.740 5.337 1.635 1.00 0.00 N ATOM 968 CD2 HIS A 60 14.416 6.994 2.887 1.00 0.00 C ATOM 969 CE1 HIS A 60 14.119 4.824 2.792 1.00 0.00 C ATOM 970 NE2 HIS A 60 14.533 5.808 3.568 1.00 0.00 N ATOM 0 H HIS A 60 11.425 6.637 -1.630 1.00 0.00 H new ATOM 0 HA HIS A 60 11.630 6.703 0.584 1.00 0.00 H new ATOM 0 HB2 HIS A 60 14.177 7.294 -0.356 1.00 0.00 H new ATOM 0 HB3 HIS A 60 13.870 8.617 0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 60 14.676 7.974 3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 60 14.094 3.777 3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 60 14.883 5.704 4.520 1.00 0.00 H new ATOM 979 N SER A 61 11.309 8.947 1.959 1.00 0.00 N ATOM 980 CA SER A 61 10.668 10.101 2.577 1.00 0.00 C ATOM 981 C SER A 61 11.708 11.106 3.064 1.00 0.00 C ATOM 982 O SER A 61 12.479 10.821 3.980 1.00 0.00 O ATOM 983 CB SER A 61 9.784 9.657 3.743 1.00 0.00 C ATOM 984 OG SER A 61 10.237 8.429 4.288 1.00 0.00 O ATOM 0 H SER A 61 11.665 8.257 2.621 1.00 0.00 H new ATOM 0 HA SER A 61 10.046 10.586 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.785 10.424 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.754 9.549 3.402 1.00 0.00 H new ATOM 0 HG SER A 61 10.197 8.471 5.266 1.00 0.00 H new ATOM 990 N GLN A 62 11.722 12.282 2.445 1.00 0.00 N ATOM 991 CA GLN A 62 12.667 13.329 2.817 1.00 0.00 C ATOM 992 C GLN A 62 12.366 14.627 2.071 1.00 0.00 C ATOM 993 O GLN A 62 12.277 15.695 2.677 1.00 0.00 O ATOM 994 CB GLN A 62 14.107 12.884 2.533 1.00 0.00 C ATOM 995 CG GLN A 62 14.243 11.972 1.322 1.00 0.00 C ATOM 996 CD GLN A 62 15.685 11.612 1.025 1.00 0.00 C ATOM 997 OE1 GLN A 62 16.482 12.466 0.633 1.00 0.00 O ATOM 998 NE2 GLN A 62 16.028 10.343 1.209 1.00 0.00 N ATOM 0 H GLN A 62 11.091 12.534 1.685 1.00 0.00 H new ATOM 0 HA GLN A 62 12.559 13.511 3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.727 13.768 2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.497 12.368 3.410 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.672 11.059 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.808 12.462 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.335 9.669 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.985 10.041 1.024 1.00 0.00 H new ATOM 1007 N ASN A 63 12.208 14.527 0.756 1.00 0.00 N ATOM 1008 CA ASN A 63 11.916 15.693 -0.071 1.00 0.00 C ATOM 1009 C ASN A 63 10.544 15.563 -0.724 1.00 0.00 C ATOM 1010 O ASN A 63 10.104 14.463 -1.056 1.00 0.00 O ATOM 1011 CB ASN A 63 12.991 15.867 -1.145 1.00 0.00 C ATOM 1012 CG ASN A 63 13.049 17.284 -1.679 1.00 0.00 C ATOM 1013 OD1 ASN A 63 12.335 17.637 -2.618 1.00 0.00 O ATOM 1014 ND2 ASN A 63 13.902 18.108 -1.081 1.00 0.00 N ATOM 0 H ASN A 63 12.277 13.650 0.239 1.00 0.00 H new ATOM 0 HA ASN A 63 11.912 16.573 0.572 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.962 15.598 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.794 15.179 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 63 13.984 19.074 -1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 63 14.475 17.774 -0.306 1.00 0.00 H new ATOM 1021 N GLY A 64 9.872 16.695 -0.908 1.00 0.00 N ATOM 1022 CA GLY A 64 8.558 16.686 -1.522 1.00 0.00 C ATOM 1023 C GLY A 64 7.439 16.772 -0.502 1.00 0.00 C ATOM 1024 O GLY A 64 6.552 17.617 -0.614 1.00 0.00 O ATOM 0 H GLY A 64 10.215 17.618 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.479 17.524 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.441 15.775 -2.109 1.00 0.00 H new ATOM 1028 N PHE A 65 7.481 15.894 0.495 1.00 0.00 N ATOM 1029 CA PHE A 65 6.462 15.873 1.537 1.00 0.00 C ATOM 1030 C PHE A 65 6.735 16.941 2.591 1.00 0.00 C ATOM 1031 O PHE A 65 5.824 17.653 3.015 1.00 0.00 O ATOM 1032 CB PHE A 65 6.404 14.492 2.191 1.00 0.00 C ATOM 1033 CG PHE A 65 6.318 13.365 1.200 1.00 0.00 C ATOM 1034 CD1 PHE A 65 7.467 12.827 0.642 1.00 0.00 C ATOM 1035 CD2 PHE A 65 5.089 12.847 0.824 1.00 0.00 C ATOM 1036 CE1 PHE A 65 7.392 11.793 -0.271 1.00 0.00 C ATOM 1037 CE2 PHE A 65 5.007 11.813 -0.089 1.00 0.00 C ATOM 1038 CZ PHE A 65 6.160 11.285 -0.637 1.00 0.00 C ATOM 0 H PHE A 65 8.210 15.188 0.603 1.00 0.00 H new ATOM 0 HA PHE A 65 5.499 16.089 1.074 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.290 14.354 2.811 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.541 14.449 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.432 13.221 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.185 13.256 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.295 11.382 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.043 11.418 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.099 10.476 -1.350 1.00 0.00 H new ATOM 1048 N ILE A 66 7.993 17.051 3.009 1.00 0.00 N ATOM 1049 CA ILE A 66 8.390 18.035 4.015 1.00 0.00 C ATOM 1050 C ILE A 66 7.865 17.662 5.397 1.00 0.00 C ATOM 1051 O ILE A 66 8.642 17.446 6.328 1.00 0.00 O ATOM 1052 CB ILE A 66 7.888 19.449 3.654 1.00 0.00 C ATOM 1053 CG1 ILE A 66 8.196 19.769 2.191 1.00 0.00 C ATOM 1054 CG2 ILE A 66 8.521 20.483 4.574 1.00 0.00 C ATOM 1055 CD1 ILE A 66 9.676 19.793 1.875 1.00 0.00 C ATOM 0 H ILE A 66 8.758 16.470 2.666 1.00 0.00 H new ATOM 0 HA ILE A 66 9.480 18.037 4.033 1.00 0.00 H new ATOM 0 HB ILE A 66 6.807 19.481 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.709 19.029 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.764 20.738 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.159 21.476 4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.253 20.263 5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.605 20.451 4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.819 20.026 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.166 20.553 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.110 18.817 2.093 1.00 0.00 H new ATOM 1067 N VAL A 67 6.544 17.593 5.530 1.00 0.00 N ATOM 1068 CA VAL A 67 5.920 17.250 6.803 1.00 0.00 C ATOM 1069 C VAL A 67 6.369 15.867 7.278 1.00 0.00 C ATOM 1070 O VAL A 67 6.473 14.936 6.481 1.00 0.00 O ATOM 1071 CB VAL A 67 4.381 17.280 6.693 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.906 18.663 6.270 1.00 0.00 C ATOM 1073 CG2 VAL A 67 3.889 16.218 5.717 1.00 0.00 C ATOM 0 H VAL A 67 5.885 17.770 4.772 1.00 0.00 H new ATOM 0 HA VAL A 67 6.237 17.997 7.531 1.00 0.00 H new ATOM 0 HB VAL A 67 3.961 17.057 7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.818 18.668 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.223 19.399 7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.336 18.915 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.801 16.257 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.316 16.404 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.197 15.232 6.066 1.00 0.00 H new ATOM 1083 N PRO A 68 6.666 15.717 8.587 1.00 0.00 N ATOM 1084 CA PRO A 68 7.130 14.456 9.157 1.00 0.00 C ATOM 1085 C PRO A 68 6.049 13.571 9.815 1.00 0.00 C ATOM 1086 O PRO A 68 6.396 12.682 10.594 1.00 0.00 O ATOM 1087 CB PRO A 68 8.101 14.954 10.221 1.00 0.00 C ATOM 1088 CG PRO A 68 7.487 16.223 10.728 1.00 0.00 C ATOM 1089 CD PRO A 68 6.620 16.772 9.616 1.00 0.00 C ATOM 0 HA PRO A 68 7.532 13.804 8.382 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.221 14.224 11.022 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.091 15.132 9.802 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.893 16.033 11.622 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.259 16.941 11.005 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.601 16.956 9.956 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.006 17.719 9.237 1.00 0.00 H new ATOM 1097 N PRO A 69 4.735 13.764 9.537 1.00 0.00 N ATOM 1098 CA PRO A 69 3.691 12.926 10.147 1.00 0.00 C ATOM 1099 C PRO A 69 3.950 11.432 9.916 1.00 0.00 C ATOM 1100 O PRO A 69 5.032 11.048 9.472 1.00 0.00 O ATOM 1101 CB PRO A 69 2.404 13.376 9.444 1.00 0.00 C ATOM 1102 CG PRO A 69 2.692 14.743 8.942 1.00 0.00 C ATOM 1103 CD PRO A 69 4.162 14.778 8.635 1.00 0.00 C ATOM 0 HA PRO A 69 3.649 13.044 11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.146 12.703 8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.559 13.379 10.133 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.103 14.962 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.433 15.494 9.688 1.00 0.00 H new ATOM 0 HD2 PRO A 69 4.358 14.540 7.590 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.586 15.765 8.822 1.00 0.00 H new ATOM 1111 N PRO A 70 2.965 10.560 10.218 1.00 0.00 N ATOM 1112 CA PRO A 70 3.113 9.108 10.043 1.00 0.00 C ATOM 1113 C PRO A 70 3.800 8.709 8.733 1.00 0.00 C ATOM 1114 O PRO A 70 4.653 7.823 8.728 1.00 0.00 O ATOM 1115 CB PRO A 70 1.670 8.611 10.075 1.00 0.00 C ATOM 1116 CG PRO A 70 0.973 9.571 10.976 1.00 0.00 C ATOM 1117 CD PRO A 70 1.634 10.908 10.759 1.00 0.00 C ATOM 0 HA PRO A 70 3.755 8.676 10.811 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.228 8.607 9.079 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.608 7.591 10.455 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.091 9.621 10.744 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.058 9.259 12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.068 11.526 10.062 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.715 11.470 11.689 1.00 0.00 H new ATOM 1125 N PRO A 71 3.448 9.347 7.599 1.00 0.00 N ATOM 1126 CA PRO A 71 4.055 9.028 6.300 1.00 0.00 C ATOM 1127 C PRO A 71 5.572 9.192 6.319 1.00 0.00 C ATOM 1128 O PRO A 71 6.091 10.277 6.060 1.00 0.00 O ATOM 1129 CB PRO A 71 3.418 10.042 5.343 1.00 0.00 C ATOM 1130 CG PRO A 71 2.153 10.455 6.013 1.00 0.00 C ATOM 1131 CD PRO A 71 2.445 10.420 7.485 1.00 0.00 C ATOM 0 HA PRO A 71 3.881 7.991 6.013 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.075 10.896 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.222 9.596 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.850 11.453 5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.336 9.779 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.832 11.374 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.551 10.200 8.069 1.00 0.00 H new ATOM 1139 N GLU A 72 6.277 8.107 6.630 1.00 0.00 N ATOM 1140 CA GLU A 72 7.736 8.134 6.685 1.00 0.00 C ATOM 1141 C GLU A 72 8.314 6.722 6.749 1.00 0.00 C ATOM 1142 O GLU A 72 9.346 6.438 6.143 1.00 0.00 O ATOM 1143 CB GLU A 72 8.206 8.945 7.894 1.00 0.00 C ATOM 1144 CG GLU A 72 7.864 8.304 9.230 1.00 0.00 C ATOM 1145 CD GLU A 72 8.196 9.200 10.408 1.00 0.00 C ATOM 1146 OE1 GLU A 72 9.220 9.912 10.343 1.00 0.00 O ATOM 1147 OE2 GLU A 72 7.431 9.190 11.396 1.00 0.00 O ATOM 0 H GLU A 72 5.863 7.201 6.847 1.00 0.00 H new ATOM 0 HA GLU A 72 8.096 8.609 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.286 9.081 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.757 9.937 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.802 8.061 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.408 7.364 9.328 1.00 0.00 H new ATOM 1154 N LYS A 73 7.643 5.842 7.492 1.00 0.00 N ATOM 1155 CA LYS A 73 8.083 4.456 7.644 1.00 0.00 C ATOM 1156 C LYS A 73 9.559 4.376 8.032 1.00 0.00 C ATOM 1157 O LYS A 73 10.218 5.399 8.220 1.00 0.00 O ATOM 1158 CB LYS A 73 7.828 3.662 6.355 1.00 0.00 C ATOM 1159 CG LYS A 73 8.767 4.009 5.209 1.00 0.00 C ATOM 1160 CD LYS A 73 8.961 2.827 4.273 1.00 0.00 C ATOM 1161 CE LYS A 73 7.655 2.416 3.615 1.00 0.00 C ATOM 1162 NZ LYS A 73 7.028 1.250 4.298 1.00 0.00 N ATOM 0 H LYS A 73 6.788 6.067 8.001 1.00 0.00 H new ATOM 0 HA LYS A 73 7.499 4.013 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.918 2.598 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.801 3.835 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.365 4.855 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.732 4.320 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.690 3.086 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.370 1.984 4.830 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.963 3.258 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.838 2.168 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.027 0.431 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.569 1.018 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.049 1.486 4.559 1.00 0.00 H new ATOM 1176 N SER A 74 10.066 3.153 8.150 1.00 0.00 N ATOM 1177 CA SER A 74 11.461 2.936 8.516 1.00 0.00 C ATOM 1178 C SER A 74 11.906 1.523 8.145 1.00 0.00 C ATOM 1179 O SER A 74 12.580 0.850 8.923 1.00 0.00 O ATOM 1180 CB SER A 74 11.660 3.169 10.014 1.00 0.00 C ATOM 1181 OG SER A 74 12.909 3.786 10.274 1.00 0.00 O ATOM 0 H SER A 74 9.532 2.297 7.998 1.00 0.00 H new ATOM 0 HA SER A 74 12.072 3.648 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.855 3.796 10.398 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.604 2.218 10.544 1.00 0.00 H new ATOM 0 HG SER A 74 13.011 3.925 11.239 1.00 0.00 H new ATOM 1187 N LEU A 75 11.519 1.083 6.951 1.00 0.00 N ATOM 1188 CA LEU A 75 11.873 -0.249 6.471 1.00 0.00 C ATOM 1189 C LEU A 75 11.264 -1.331 7.359 1.00 0.00 C ATOM 1190 O LEU A 75 11.353 -1.267 8.585 1.00 0.00 O ATOM 1191 CB LEU A 75 13.395 -0.411 6.416 1.00 0.00 C ATOM 1192 CG LEU A 75 13.886 -1.813 6.045 1.00 0.00 C ATOM 1193 CD1 LEU A 75 13.436 -2.182 4.640 1.00 0.00 C ATOM 1194 CD2 LEU A 75 15.401 -1.895 6.161 1.00 0.00 C ATOM 0 H LEU A 75 10.959 1.631 6.297 1.00 0.00 H new ATOM 0 HA LEU A 75 11.468 -0.362 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.795 0.300 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.809 -0.144 7.388 1.00 0.00 H new ATOM 0 HG LEU A 75 13.449 -2.527 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.794 -3.182 4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.347 -2.164 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.843 -1.465 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 75 15.733 -2.898 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 75 15.857 -1.170 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 75 15.700 -1.675 7.186 1.00 0.00 H new ATOM 1206 N ILE A 76 10.645 -2.324 6.730 1.00 0.00 N ATOM 1207 CA ILE A 76 10.021 -3.421 7.458 1.00 0.00 C ATOM 1208 C ILE A 76 11.006 -4.563 7.678 1.00 0.00 C ATOM 1209 O ILE A 76 11.186 -5.416 6.808 1.00 0.00 O ATOM 1210 CB ILE A 76 8.784 -3.961 6.714 1.00 0.00 C ATOM 1211 CG1 ILE A 76 7.888 -2.807 6.262 1.00 0.00 C ATOM 1212 CG2 ILE A 76 8.010 -4.923 7.601 1.00 0.00 C ATOM 1213 CD1 ILE A 76 8.258 -2.249 4.905 1.00 0.00 C ATOM 0 H ILE A 76 10.562 -2.391 5.716 1.00 0.00 H new ATOM 0 HA ILE A 76 9.708 -3.022 8.423 1.00 0.00 H new ATOM 0 HB ILE A 76 9.119 -4.503 5.830 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.854 -3.150 6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.939 -2.007 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.139 -5.295 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.652 -5.760 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.683 -4.404 8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.580 -1.434 4.650 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.281 -1.875 4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.179 -3.035 4.154 1.00 0.00 H new ATOM 1225 N GLY A 77 11.644 -4.572 8.844 1.00 0.00 N ATOM 1226 CA GLY A 77 12.607 -5.614 9.153 1.00 0.00 C ATOM 1227 C GLY A 77 13.783 -5.613 8.197 1.00 0.00 C ATOM 1228 O GLY A 77 13.927 -4.700 7.383 1.00 0.00 O ATOM 0 H GLY A 77 11.512 -3.878 9.580 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.970 -5.479 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.113 -6.585 9.116 1.00 0.00 H new ATOM 1232 N MET A 78 14.625 -6.637 8.292 1.00 0.00 N ATOM 1233 CA MET A 78 15.793 -6.745 7.425 1.00 0.00 C ATOM 1234 C MET A 78 16.081 -8.202 7.067 1.00 0.00 C ATOM 1235 O MET A 78 17.192 -8.540 6.658 1.00 0.00 O ATOM 1236 CB MET A 78 17.015 -6.123 8.101 1.00 0.00 C ATOM 1237 CG MET A 78 17.199 -6.560 9.546 1.00 0.00 C ATOM 1238 SD MET A 78 18.776 -7.386 9.831 1.00 0.00 S ATOM 1239 CE MET A 78 19.890 -5.985 9.876 1.00 0.00 C ATOM 0 H MET A 78 14.521 -7.402 8.959 1.00 0.00 H new ATOM 0 HA MET A 78 15.578 -6.202 6.504 1.00 0.00 H new ATOM 0 HB2 MET A 78 17.907 -6.387 7.534 1.00 0.00 H new ATOM 0 HB3 MET A 78 16.925 -5.037 8.067 1.00 0.00 H new ATOM 0 HG2 MET A 78 17.128 -5.688 10.196 1.00 0.00 H new ATOM 0 HG3 MET A 78 16.387 -7.232 9.824 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.908 -6.335 10.046 1.00 0.00 H new ATOM 0 HE2 MET A 78 19.843 -5.452 8.926 1.00 0.00 H new ATOM 0 HE3 MET A 78 19.598 -5.314 10.684 1.00 0.00 H new ATOM 1249 N THR A 79 15.077 -9.061 7.222 1.00 0.00 N ATOM 1250 CA THR A 79 15.225 -10.481 6.911 1.00 0.00 C ATOM 1251 C THR A 79 16.463 -11.068 7.589 1.00 0.00 C ATOM 1252 O THR A 79 17.046 -10.450 8.479 1.00 0.00 O ATOM 1253 CB THR A 79 15.313 -10.685 5.396 1.00 0.00 C ATOM 1254 OG1 THR A 79 14.782 -9.566 4.707 1.00 0.00 O ATOM 1255 CG2 THR A 79 14.572 -11.912 4.914 1.00 0.00 C ATOM 0 H THR A 79 14.151 -8.799 7.561 1.00 0.00 H new ATOM 0 HA THR A 79 14.347 -11.002 7.293 1.00 0.00 H new ATOM 0 HB THR A 79 16.374 -10.813 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.849 -9.715 3.741 1.00 0.00 H new ATOM 0 HG21 THR A 79 14.675 -11.997 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.990 -12.799 5.389 1.00 0.00 H new ATOM 0 HG23 THR A 79 13.517 -11.825 5.173 1.00 0.00 H new ATOM 1263 N LYS A 80 16.855 -12.264 7.161 1.00 0.00 N ATOM 1264 CA LYS A 80 18.022 -12.933 7.725 1.00 0.00 C ATOM 1265 C LYS A 80 18.789 -13.690 6.646 1.00 0.00 C ATOM 1266 O LYS A 80 18.194 -14.329 5.779 1.00 0.00 O ATOM 1267 CB LYS A 80 17.597 -13.898 8.834 1.00 0.00 C ATOM 1268 CG LYS A 80 17.482 -13.242 10.200 1.00 0.00 C ATOM 1269 CD LYS A 80 16.391 -13.886 11.038 1.00 0.00 C ATOM 1270 CE LYS A 80 16.807 -14.010 12.495 1.00 0.00 C ATOM 1271 NZ LYS A 80 17.986 -14.904 12.662 1.00 0.00 N ATOM 0 H LYS A 80 16.382 -12.789 6.426 1.00 0.00 H new ATOM 0 HA LYS A 80 18.678 -12.171 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.636 -14.341 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.318 -14.713 8.891 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.436 -13.318 10.722 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.269 -12.180 10.078 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.479 -13.293 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.160 -14.874 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.042 -13.022 12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.972 -14.397 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.978 -15.314 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 17.945 -15.667 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.859 -14.355 12.528 1.00 0.00 H new ATOM 1285 N VAL A 81 20.116 -13.613 6.704 1.00 0.00 N ATOM 1286 CA VAL A 81 20.963 -14.291 5.730 1.00 0.00 C ATOM 1287 C VAL A 81 21.104 -15.773 6.060 1.00 0.00 C ATOM 1288 O VAL A 81 21.739 -16.142 7.047 1.00 0.00 O ATOM 1289 CB VAL A 81 22.367 -13.657 5.666 1.00 0.00 C ATOM 1290 CG1 VAL A 81 22.283 -12.219 5.177 1.00 0.00 C ATOM 1291 CG2 VAL A 81 23.049 -13.729 7.026 1.00 0.00 C ATOM 0 H VAL A 81 20.626 -13.088 7.415 1.00 0.00 H new ATOM 0 HA VAL A 81 20.477 -14.181 4.760 1.00 0.00 H new ATOM 0 HB VAL A 81 22.969 -14.222 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 81 23.284 -11.789 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 21.841 -12.199 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 81 21.664 -11.638 5.861 1.00 0.00 H new ATOM 0 HG21 VAL A 81 24.039 -13.277 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 81 22.451 -13.191 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 81 23.146 -14.771 7.330 1.00 0.00 H new ATOM 1301 N LYS A 82 20.507 -16.619 5.225 1.00 0.00 N ATOM 1302 CA LYS A 82 20.567 -18.062 5.429 1.00 0.00 C ATOM 1303 C LYS A 82 19.971 -18.446 6.780 1.00 0.00 C ATOM 1304 O LYS A 82 20.569 -18.198 7.827 1.00 0.00 O ATOM 1305 CB LYS A 82 22.016 -18.549 5.336 1.00 0.00 C ATOM 1306 CG LYS A 82 22.327 -19.291 4.046 1.00 0.00 C ATOM 1307 CD LYS A 82 22.422 -20.792 4.273 1.00 0.00 C ATOM 1308 CE LYS A 82 23.381 -21.447 3.291 1.00 0.00 C ATOM 1309 NZ LYS A 82 24.614 -21.942 3.965 1.00 0.00 N ATOM 0 H LYS A 82 19.977 -16.330 4.402 1.00 0.00 H new ATOM 0 HA LYS A 82 19.979 -18.542 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 82 22.685 -17.693 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 82 22.225 -19.204 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 82 21.551 -19.082 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 82 23.267 -18.925 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.755 -20.986 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.433 -21.239 4.170 1.00 0.00 H new ATOM 0 HE2 LYS A 82 22.880 -22.278 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 82 23.653 -20.730 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 25.242 -22.381 3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 25.106 -21.145 4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 24.357 -22.645 4.687 1.00 0.00 H new ATOM 1323 N VAL A 83 18.786 -19.051 6.748 1.00 0.00 N ATOM 1324 CA VAL A 83 18.103 -19.469 7.972 1.00 0.00 C ATOM 1325 C VAL A 83 19.047 -20.225 8.908 1.00 0.00 C ATOM 1326 O VAL A 83 19.577 -19.652 9.860 1.00 0.00 O ATOM 1327 CB VAL A 83 16.866 -20.348 7.673 1.00 0.00 C ATOM 1328 CG1 VAL A 83 15.617 -19.486 7.567 1.00 0.00 C ATOM 1329 CG2 VAL A 83 17.062 -21.168 6.403 1.00 0.00 C ATOM 0 H VAL A 83 18.278 -19.263 5.889 1.00 0.00 H new ATOM 0 HA VAL A 83 17.769 -18.555 8.464 1.00 0.00 H new ATOM 0 HB VAL A 83 16.741 -21.045 8.501 1.00 0.00 H new ATOM 0 HG11 VAL A 83 14.755 -20.119 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 83 15.458 -18.958 8.507 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.742 -18.763 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 83 16.175 -21.775 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 83 17.223 -20.498 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 83 17.929 -21.819 6.520 1.00 0.00 H new ATOM 1339 N GLY A 84 19.256 -21.511 8.634 1.00 0.00 N ATOM 1340 CA GLY A 84 20.139 -22.310 9.464 1.00 0.00 C ATOM 1341 C GLY A 84 19.482 -22.765 10.753 1.00 0.00 C ATOM 1342 O GLY A 84 19.385 -23.964 11.016 1.00 0.00 O ATOM 0 H GLY A 84 18.830 -22.012 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.467 -23.184 8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.031 -21.730 9.701 1.00 0.00 H new ATOM 1346 N LYS A 85 19.031 -21.810 11.561 1.00 0.00 N ATOM 1347 CA LYS A 85 18.382 -22.129 12.831 1.00 0.00 C ATOM 1348 C LYS A 85 16.902 -21.750 12.805 1.00 0.00 C ATOM 1349 O LYS A 85 16.041 -22.604 12.599 1.00 0.00 O ATOM 1350 CB LYS A 85 19.088 -21.428 14.001 1.00 0.00 C ATOM 1351 CG LYS A 85 19.707 -20.082 13.648 1.00 0.00 C ATOM 1352 CD LYS A 85 21.212 -20.191 13.450 1.00 0.00 C ATOM 1353 CE LYS A 85 21.602 -19.983 11.996 1.00 0.00 C ATOM 1354 NZ LYS A 85 23.073 -20.094 11.794 1.00 0.00 N ATOM 0 H LYS A 85 19.102 -20.812 11.361 1.00 0.00 H new ATOM 0 HA LYS A 85 18.458 -23.207 12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.370 -21.283 14.808 1.00 0.00 H new ATOM 0 HB3 LYS A 85 19.870 -22.084 14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.247 -19.697 12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.495 -19.364 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.716 -19.451 14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.553 -21.172 13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 85 21.094 -20.720 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.263 -19.001 11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 23.298 -19.946 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.557 -19.374 12.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.393 -21.040 12.084 1.00 0.00 H new ATOM 1368 N GLU A 86 16.612 -20.470 13.018 1.00 0.00 N ATOM 1369 CA GLU A 86 15.234 -19.992 13.021 1.00 0.00 C ATOM 1370 C GLU A 86 14.682 -19.905 11.603 1.00 0.00 C ATOM 1371 O GLU A 86 15.310 -19.328 10.714 1.00 0.00 O ATOM 1372 CB GLU A 86 15.147 -18.623 13.698 1.00 0.00 C ATOM 1373 CG GLU A 86 13.736 -18.240 14.116 1.00 0.00 C ATOM 1374 CD GLU A 86 13.284 -16.924 13.513 1.00 0.00 C ATOM 1375 OE1 GLU A 86 14.057 -15.945 13.580 1.00 0.00 O ATOM 1376 OE2 GLU A 86 12.158 -16.873 12.975 1.00 0.00 O ATOM 0 H GLU A 86 17.311 -19.747 13.190 1.00 0.00 H new ATOM 0 HA GLU A 86 14.632 -20.707 13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.791 -18.620 14.577 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.534 -17.865 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.046 -19.029 13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.689 -18.172 15.203 1.00 0.00 H new ATOM 1383 N ASP A 87 13.501 -20.480 11.398 1.00 0.00 N ATOM 1384 CA ASP A 87 12.859 -20.466 10.088 1.00 0.00 C ATOM 1385 C ASP A 87 11.367 -20.183 10.221 1.00 0.00 C ATOM 1386 O ASP A 87 10.829 -19.306 9.546 1.00 0.00 O ATOM 1387 CB ASP A 87 13.076 -21.802 9.376 1.00 0.00 C ATOM 1388 CG ASP A 87 14.537 -22.061 9.065 1.00 0.00 C ATOM 1389 OD1 ASP A 87 15.356 -22.048 10.009 1.00 0.00 O ATOM 1390 OD2 ASP A 87 14.863 -22.278 7.879 1.00 0.00 O ATOM 0 H ASP A 87 12.969 -20.962 12.123 1.00 0.00 H new ATOM 0 HA ASP A 87 13.311 -19.671 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.691 -22.609 9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.502 -21.814 8.449 1.00 0.00 H new ATOM 1395 N SER A 88 10.705 -20.933 11.097 1.00 0.00 N ATOM 1396 CA SER A 88 9.273 -20.767 11.325 1.00 0.00 C ATOM 1397 C SER A 88 8.479 -21.060 10.054 1.00 0.00 C ATOM 1398 O SER A 88 7.932 -22.152 9.892 1.00 0.00 O ATOM 1399 CB SER A 88 8.973 -19.349 11.816 1.00 0.00 C ATOM 1400 OG SER A 88 7.578 -19.100 11.834 1.00 0.00 O ATOM 0 H SER A 88 11.138 -21.663 11.662 1.00 0.00 H new ATOM 0 HA SER A 88 8.969 -21.480 12.091 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.383 -19.213 12.817 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.467 -18.624 11.168 1.00 0.00 H new ATOM 0 HG SER A 88 7.413 -18.188 12.153 1.00 0.00 H new ATOM 1406 N SER A 89 8.420 -20.081 9.155 1.00 0.00 N ATOM 1407 CA SER A 89 7.693 -20.237 7.900 1.00 0.00 C ATOM 1408 C SER A 89 7.787 -18.969 7.058 1.00 0.00 C ATOM 1409 O SER A 89 8.008 -17.877 7.584 1.00 0.00 O ATOM 1410 CB SER A 89 6.226 -20.574 8.172 1.00 0.00 C ATOM 1411 OG SER A 89 5.767 -19.937 9.353 1.00 0.00 O ATOM 0 H SER A 89 8.867 -19.172 9.273 1.00 0.00 H new ATOM 0 HA SER A 89 8.149 -21.057 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.615 -20.262 7.325 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.109 -21.653 8.268 1.00 0.00 H new ATOM 0 HG SER A 89 4.826 -20.167 9.504 1.00 0.00 H new ATOM 1417 N SER A 90 7.617 -19.119 5.749 1.00 0.00 N ATOM 1418 CA SER A 90 7.679 -17.985 4.835 1.00 0.00 C ATOM 1419 C SER A 90 6.280 -17.481 4.500 1.00 0.00 C ATOM 1420 O SER A 90 6.079 -16.291 4.258 1.00 0.00 O ATOM 1421 CB SER A 90 8.415 -18.376 3.552 1.00 0.00 C ATOM 1422 OG SER A 90 8.642 -17.244 2.728 1.00 0.00 O ATOM 0 H SER A 90 7.435 -20.015 5.297 1.00 0.00 H new ATOM 0 HA SER A 90 8.227 -17.182 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 90 9.367 -18.843 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.831 -19.116 3.005 1.00 0.00 H new ATOM 0 HG SER A 90 9.115 -17.520 1.915 1.00 0.00 H new ATOM 1428 N ALA A 91 5.316 -18.394 4.488 1.00 0.00 N ATOM 1429 CA ALA A 91 3.934 -18.045 4.184 1.00 0.00 C ATOM 1430 C ALA A 91 3.376 -17.066 5.211 1.00 0.00 C ATOM 1431 O ALA A 91 2.713 -16.090 4.857 1.00 0.00 O ATOM 1432 CB ALA A 91 3.075 -19.299 4.128 1.00 0.00 C ATOM 0 H ALA A 91 5.467 -19.383 4.686 1.00 0.00 H new ATOM 0 HA ALA A 91 3.914 -17.558 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.045 -19.025 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.453 -19.965 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.110 -19.808 5.091 1.00 0.00 H new ATOM 1438 N GLU A 92 3.649 -17.332 6.484 1.00 0.00 N ATOM 1439 CA GLU A 92 3.173 -16.473 7.563 1.00 0.00 C ATOM 1440 C GLU A 92 3.854 -15.109 7.514 1.00 0.00 C ATOM 1441 O GLU A 92 3.238 -14.085 7.810 1.00 0.00 O ATOM 1442 CB GLU A 92 3.426 -17.136 8.920 1.00 0.00 C ATOM 1443 CG GLU A 92 2.284 -16.955 9.905 1.00 0.00 C ATOM 1444 CD GLU A 92 2.709 -17.192 11.341 1.00 0.00 C ATOM 1445 OE1 GLU A 92 3.228 -18.289 11.633 1.00 0.00 O ATOM 1446 OE2 GLU A 92 2.522 -16.279 12.173 1.00 0.00 O ATOM 0 H GLU A 92 4.197 -18.135 6.794 1.00 0.00 H new ATOM 0 HA GLU A 92 2.101 -16.327 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.599 -18.201 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.337 -16.723 9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.884 -15.945 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.477 -17.643 9.651 1.00 0.00 H new ATOM 1453 N PHE A 93 5.128 -15.102 7.135 1.00 0.00 N ATOM 1454 CA PHE A 93 5.893 -13.862 7.044 1.00 0.00 C ATOM 1455 C PHE A 93 5.229 -12.888 6.075 1.00 0.00 C ATOM 1456 O PHE A 93 5.230 -11.678 6.299 1.00 0.00 O ATOM 1457 CB PHE A 93 7.325 -14.155 6.592 1.00 0.00 C ATOM 1458 CG PHE A 93 8.363 -13.354 7.327 1.00 0.00 C ATOM 1459 CD1 PHE A 93 8.413 -13.365 8.712 1.00 0.00 C ATOM 1460 CD2 PHE A 93 9.287 -12.590 6.633 1.00 0.00 C ATOM 1461 CE1 PHE A 93 9.367 -12.630 9.390 1.00 0.00 C ATOM 1462 CE2 PHE A 93 10.243 -11.854 7.306 1.00 0.00 C ATOM 1463 CZ PHE A 93 10.283 -11.874 8.686 1.00 0.00 C ATOM 0 H PHE A 93 5.653 -15.940 6.886 1.00 0.00 H new ATOM 0 HA PHE A 93 5.919 -13.404 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.531 -15.216 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.409 -13.951 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.699 -13.954 9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.260 -12.570 5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.396 -12.647 10.469 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.959 -11.263 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.030 -11.299 9.214 1.00 0.00 H new ATOM 1473 N LEU A 94 4.665 -13.427 4.999 1.00 0.00 N ATOM 1474 CA LEU A 94 3.996 -12.610 3.992 1.00 0.00 C ATOM 1475 C LEU A 94 2.899 -11.754 4.621 1.00 0.00 C ATOM 1476 O LEU A 94 2.596 -10.665 4.136 1.00 0.00 O ATOM 1477 CB LEU A 94 3.404 -13.500 2.895 1.00 0.00 C ATOM 1478 CG LEU A 94 3.992 -13.284 1.500 1.00 0.00 C ATOM 1479 CD1 LEU A 94 3.259 -14.134 0.474 1.00 0.00 C ATOM 1480 CD2 LEU A 94 3.930 -11.813 1.117 1.00 0.00 C ATOM 0 H LEU A 94 4.658 -14.428 4.801 1.00 0.00 H new ATOM 0 HA LEU A 94 4.737 -11.944 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.549 -14.543 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.328 -13.329 2.850 1.00 0.00 H new ATOM 0 HG LEU A 94 5.038 -13.591 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.691 -13.967 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.355 -15.187 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.205 -13.858 0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.353 -11.678 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.892 -11.480 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.501 -11.225 1.836 1.00 0.00 H new ATOM 1492 N GLU A 95 2.307 -12.255 5.702 1.00 0.00 N ATOM 1493 CA GLU A 95 1.242 -11.537 6.395 1.00 0.00 C ATOM 1494 C GLU A 95 1.682 -10.125 6.761 1.00 0.00 C ATOM 1495 O GLU A 95 0.868 -9.201 6.803 1.00 0.00 O ATOM 1496 CB GLU A 95 0.824 -12.295 7.656 1.00 0.00 C ATOM 1497 CG GLU A 95 0.099 -13.600 7.368 1.00 0.00 C ATOM 1498 CD GLU A 95 -1.136 -13.783 8.228 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -2.048 -12.935 8.144 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -1.189 -14.774 8.987 1.00 0.00 O ATOM 0 H GLU A 95 2.547 -13.155 6.117 1.00 0.00 H new ATOM 0 HA GLU A 95 0.389 -11.467 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.711 -12.506 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.178 -11.655 8.257 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.188 -13.628 6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.780 -14.434 7.535 1.00 0.00 H new ATOM 1507 N LYS A 96 2.975 -9.960 7.017 1.00 0.00 N ATOM 1508 CA LYS A 96 3.520 -8.657 7.370 1.00 0.00 C ATOM 1509 C LYS A 96 3.420 -7.700 6.187 1.00 0.00 C ATOM 1510 O LYS A 96 3.199 -6.501 6.360 1.00 0.00 O ATOM 1511 CB LYS A 96 4.979 -8.793 7.815 1.00 0.00 C ATOM 1512 CG LYS A 96 5.147 -8.887 9.324 1.00 0.00 C ATOM 1513 CD LYS A 96 5.450 -10.311 9.768 1.00 0.00 C ATOM 1514 CE LYS A 96 6.624 -10.356 10.733 1.00 0.00 C ATOM 1515 NZ LYS A 96 6.531 -9.295 11.774 1.00 0.00 N ATOM 0 H LYS A 96 3.663 -10.712 6.986 1.00 0.00 H new ATOM 0 HA LYS A 96 2.937 -8.252 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.410 -9.681 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.544 -7.937 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.954 -8.227 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.238 -8.538 9.814 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.569 -10.740 10.245 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.671 -10.926 8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.661 -11.334 11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.555 -10.239 10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.003 -9.619 12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.994 -8.430 11.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.531 -9.095 11.977 1.00 0.00 H new ATOM 1529 N ARG A 97 3.581 -8.242 4.983 1.00 0.00 N ATOM 1530 CA ARG A 97 3.507 -7.443 3.766 1.00 0.00 C ATOM 1531 C ARG A 97 2.081 -6.959 3.513 1.00 0.00 C ATOM 1532 O ARG A 97 1.876 -5.883 2.956 1.00 0.00 O ATOM 1533 CB ARG A 97 4.003 -8.250 2.564 1.00 0.00 C ATOM 1534 CG ARG A 97 5.514 -8.225 2.389 1.00 0.00 C ATOM 1535 CD ARG A 97 6.046 -6.801 2.314 1.00 0.00 C ATOM 1536 NE ARG A 97 5.249 -5.963 1.420 1.00 0.00 N ATOM 1537 CZ ARG A 97 5.361 -5.980 0.094 1.00 0.00 C ATOM 1538 NH1 ARG A 97 6.237 -6.783 -0.496 1.00 0.00 N ATOM 1539 NH2 ARG A 97 4.597 -5.187 -0.645 1.00 0.00 N ATOM 0 H ARG A 97 3.764 -9.233 4.825 1.00 0.00 H new ATOM 0 HA ARG A 97 4.149 -6.572 3.899 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.676 -9.284 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.535 -7.861 1.659 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.986 -8.747 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.785 -8.763 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.051 -6.363 3.312 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.080 -6.818 1.968 1.00 0.00 H new ATOM 0 HE ARG A 97 4.568 -5.329 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.830 -7.393 0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.317 -6.791 -1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.924 -4.565 -0.197 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.682 -5.199 -1.661 1.00 0.00 H new ATOM 1553 N ARG A 98 1.099 -7.763 3.919 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.306 -7.410 3.727 1.00 0.00 C ATOM 1555 C ARG A 98 -0.737 -6.333 4.716 1.00 0.00 C ATOM 1556 O ARG A 98 -1.264 -5.291 4.325 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.191 -8.649 3.888 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.138 -9.595 2.699 1.00 0.00 C ATOM 1559 CD ARG A 98 -0.310 -10.832 3.008 1.00 0.00 C ATOM 1560 NE ARG A 98 -0.578 -11.923 2.074 1.00 0.00 N ATOM 1561 CZ ARG A 98 -0.374 -13.208 2.355 1.00 0.00 C ATOM 1562 NH1 ARG A 98 0.107 -13.569 3.539 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -0.651 -14.136 1.450 1.00 0.00 N ATOM 0 H ARG A 98 1.250 -8.660 4.381 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.421 -7.017 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -0.886 -9.189 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.222 -8.331 4.043 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -2.150 -9.893 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.713 -9.077 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.749 -10.577 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.523 -11.165 4.024 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.943 -11.686 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.323 -12.860 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.261 -14.555 3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.020 -13.865 0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.495 -15.121 1.665 1.00 0.00 H new ATOM 1577 N ALA A 99 -0.504 -6.589 5.998 1.00 0.00 N ATOM 1578 CA ALA A 99 -0.860 -5.639 7.046 1.00 0.00 C ATOM 1579 C ALA A 99 -0.119 -4.322 6.849 1.00 0.00 C ATOM 1580 O ALA A 99 -0.734 -3.260 6.739 1.00 0.00 O ATOM 1581 CB ALA A 99 -0.550 -6.226 8.415 1.00 0.00 C ATOM 0 H ALA A 99 -0.070 -7.447 6.337 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.930 -5.441 6.986 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.820 -5.507 9.189 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.122 -7.143 8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.515 -6.449 8.483 1.00 0.00 H new ATOM 1587 N ALA A 100 1.206 -4.402 6.786 1.00 0.00 N ATOM 1588 CA ALA A 100 2.042 -3.223 6.582 1.00 0.00 C ATOM 1589 C ALA A 100 1.588 -2.441 5.356 1.00 0.00 C ATOM 1590 O ALA A 100 1.758 -1.224 5.282 1.00 0.00 O ATOM 1591 CB ALA A 100 3.503 -3.615 6.436 1.00 0.00 C ATOM 0 H ALA A 100 1.726 -5.275 6.874 1.00 0.00 H new ATOM 0 HA ALA A 100 1.937 -2.586 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.107 -2.720 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.834 -4.128 7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.618 -4.279 5.579 1.00 0.00 H new ATOM 1597 N LEU A 101 1.033 -3.157 4.386 1.00 0.00 N ATOM 1598 CA LEU A 101 0.577 -2.546 3.146 1.00 0.00 C ATOM 1599 C LEU A 101 -0.479 -1.480 3.414 1.00 0.00 C ATOM 1600 O LEU A 101 -0.545 -0.479 2.703 1.00 0.00 O ATOM 1601 CB LEU A 101 -0.008 -3.625 2.219 1.00 0.00 C ATOM 1602 CG LEU A 101 0.505 -3.656 0.765 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.659 -3.531 -0.205 1.00 0.00 C ATOM 1604 CD2 LEU A 101 1.538 -2.567 0.494 1.00 0.00 C ATOM 0 H LEU A 101 0.888 -4.165 4.436 1.00 0.00 H new ATOM 0 HA LEU A 101 1.433 -2.071 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.188 -4.599 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.090 -3.498 2.193 1.00 0.00 H new ATOM 0 HG LEU A 101 1.000 -4.616 0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.284 -3.554 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.350 -4.360 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.179 -2.589 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.869 -2.629 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.091 -1.589 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.393 -2.703 1.157 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.300 -1.686 4.439 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.337 -0.716 4.765 1.00 0.00 C ATOM 1618 C GLU A 102 -1.737 0.540 5.377 1.00 0.00 C ATOM 1619 O GLU A 102 -2.035 1.647 4.940 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.374 -1.299 5.717 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.563 -0.374 5.917 1.00 0.00 C ATOM 1622 CD GLU A 102 -4.606 0.231 7.307 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -3.609 0.868 7.709 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.636 0.069 7.993 1.00 0.00 O ATOM 0 H GLU A 102 -1.269 -2.503 5.049 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.833 -0.457 3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.723 -2.256 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.906 -1.498 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.524 0.426 5.178 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.484 -0.929 5.738 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.887 0.371 6.386 1.00 0.00 N ATOM 1632 CA ARG A 103 -0.258 1.516 7.031 1.00 0.00 C ATOM 1633 C ARG A 103 0.504 2.329 5.995 1.00 0.00 C ATOM 1634 O ARG A 103 0.400 3.554 5.950 1.00 0.00 O ATOM 1635 CB ARG A 103 0.683 1.065 8.151 1.00 0.00 C ATOM 1636 CG ARG A 103 1.643 -0.037 7.738 1.00 0.00 C ATOM 1637 CD ARG A 103 2.533 -0.460 8.896 1.00 0.00 C ATOM 1638 NE ARG A 103 3.763 -1.098 8.435 1.00 0.00 N ATOM 1639 CZ ARG A 103 4.719 -0.463 7.762 1.00 0.00 C ATOM 1640 NH1 ARG A 103 4.590 0.825 7.466 1.00 0.00 N ATOM 1641 NH2 ARG A 103 5.808 -1.117 7.381 1.00 0.00 N ATOM 0 H ARG A 103 -0.621 -0.536 6.770 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.035 2.137 7.477 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.258 1.924 8.498 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.088 0.718 8.995 1.00 0.00 H new ATOM 0 HG2 ARG A 103 1.079 -0.897 7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.261 0.308 6.909 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.781 0.413 9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 103 1.987 -1.149 9.541 1.00 0.00 H new ATOM 0 HE ARG A 103 3.897 -2.088 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 103 3.754 1.333 7.755 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.327 1.306 6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.913 -2.107 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.541 -0.630 6.865 1.00 0.00 H new ATOM 1655 N TYR A 104 1.248 1.630 5.143 1.00 0.00 N ATOM 1656 CA TYR A 104 2.002 2.279 4.080 1.00 0.00 C ATOM 1657 C TYR A 104 1.047 2.954 3.094 1.00 0.00 C ATOM 1658 O TYR A 104 1.390 3.956 2.468 1.00 0.00 O ATOM 1659 CB TYR A 104 2.886 1.257 3.353 1.00 0.00 C ATOM 1660 CG TYR A 104 3.393 1.735 2.009 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.589 1.662 0.879 1.00 0.00 C ATOM 1662 CD2 TYR A 104 4.671 2.262 1.872 1.00 0.00 C ATOM 1663 CE1 TYR A 104 3.042 2.101 -0.349 1.00 0.00 C ATOM 1664 CE2 TYR A 104 5.131 2.704 0.646 1.00 0.00 C ATOM 1665 CZ TYR A 104 4.313 2.620 -0.461 1.00 0.00 C ATOM 1666 OH TYR A 104 4.765 3.061 -1.683 1.00 0.00 O ATOM 0 H TYR A 104 1.344 0.615 5.169 1.00 0.00 H new ATOM 0 HA TYR A 104 2.645 3.041 4.521 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.739 1.012 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.320 0.337 3.211 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.592 1.255 0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.315 2.327 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 104 2.403 2.038 -1.217 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.126 3.113 0.555 1.00 0.00 H new ATOM 0 HH TYR A 104 4.157 3.747 -2.029 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.146 2.382 2.951 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.157 2.911 2.037 1.00 0.00 C ATOM 1678 C LEU A 105 -1.949 4.046 2.679 1.00 0.00 C ATOM 1679 O LEU A 105 -2.316 5.014 2.017 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.113 1.788 1.626 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.039 2.066 0.433 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -4.459 2.319 0.919 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -2.540 3.232 -0.413 1.00 0.00 C ATOM 0 H LEU A 105 -0.438 1.547 3.459 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.647 3.308 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.519 0.904 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.734 1.539 2.487 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.036 1.182 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.107 2.515 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.822 1.442 1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.467 3.181 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.223 3.396 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.493 4.132 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.546 3.003 -0.798 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.231 3.910 3.968 1.00 0.00 N ATOM 1696 CA GLN A 106 -3.002 4.912 4.689 1.00 0.00 C ATOM 1697 C GLN A 106 -2.337 6.286 4.633 1.00 0.00 C ATOM 1698 O GLN A 106 -3.020 7.305 4.575 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.202 4.494 6.139 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.474 3.697 6.372 1.00 0.00 C ATOM 1701 CD GLN A 106 -5.624 4.561 6.851 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -5.958 4.568 8.035 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -6.235 5.296 5.930 1.00 0.00 N ATOM 0 H GLN A 106 -1.937 3.115 4.535 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.973 4.986 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.347 3.899 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.222 5.385 6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.760 3.198 5.446 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.280 2.917 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.924 5.259 4.959 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -7.015 5.898 6.193 1.00 0.00 H new ATOM 1712 N ARG A 107 -1.008 6.315 4.653 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.288 7.583 4.603 1.00 0.00 C ATOM 1714 C ARG A 107 -0.551 8.294 3.280 1.00 0.00 C ATOM 1715 O ARG A 107 -0.894 9.476 3.258 1.00 0.00 O ATOM 1716 CB ARG A 107 1.216 7.371 4.794 1.00 0.00 C ATOM 1717 CG ARG A 107 1.805 6.296 3.899 1.00 0.00 C ATOM 1718 CD ARG A 107 2.932 5.549 4.594 1.00 0.00 C ATOM 1719 NE ARG A 107 2.504 4.979 5.870 1.00 0.00 N ATOM 1720 CZ ARG A 107 3.275 4.213 6.637 1.00 0.00 C ATOM 1721 NH1 ARG A 107 4.511 3.912 6.260 1.00 0.00 N ATOM 1722 NH2 ARG A 107 2.808 3.741 7.786 1.00 0.00 N ATOM 0 H ARG A 107 -0.414 5.487 4.703 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.653 8.207 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.733 8.312 4.603 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.406 7.108 5.835 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.024 5.592 3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.179 6.750 2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.294 4.752 3.944 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.768 6.228 4.762 1.00 0.00 H new ATOM 0 HE ARG A 107 1.557 5.181 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.876 4.269 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.096 3.324 6.853 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.858 3.966 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.399 3.154 8.374 1.00 0.00 H new ATOM 1736 N ILE A 108 -0.398 7.566 2.176 1.00 0.00 N ATOM 1737 CA ILE A 108 -0.633 8.140 0.853 1.00 0.00 C ATOM 1738 C ILE A 108 -2.092 8.544 0.690 1.00 0.00 C ATOM 1739 O ILE A 108 -2.386 9.631 0.200 1.00 0.00 O ATOM 1740 CB ILE A 108 -0.211 7.201 -0.310 1.00 0.00 C ATOM 1741 CG1 ILE A 108 -0.412 5.718 0.047 1.00 0.00 C ATOM 1742 CG2 ILE A 108 1.235 7.479 -0.696 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.767 4.830 -0.302 1.00 0.00 C ATOM 0 H ILE A 108 -0.115 6.586 2.170 1.00 0.00 H new ATOM 0 HA ILE A 108 0.002 9.024 0.793 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.855 7.409 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.610 5.637 1.116 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.297 5.348 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.527 6.818 -1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.333 8.516 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.882 7.302 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.544 3.801 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.954 4.878 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.651 5.171 0.236 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.007 7.684 1.122 1.00 0.00 N ATOM 1756 CA VAL A 109 -4.430 7.998 1.030 1.00 0.00 C ATOM 1757 C VAL A 109 -4.821 9.049 2.069 1.00 0.00 C ATOM 1758 O VAL A 109 -5.803 9.770 1.897 1.00 0.00 O ATOM 1759 CB VAL A 109 -5.320 6.751 1.226 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -5.371 5.917 -0.044 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -4.844 5.914 2.405 1.00 0.00 C ATOM 0 H VAL A 109 -2.795 6.775 1.534 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.595 8.385 0.025 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.330 7.095 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.004 5.044 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.782 6.516 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.364 5.591 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.490 5.043 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.820 5.585 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.881 6.513 3.315 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.049 9.120 3.151 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.313 10.069 4.230 1.00 0.00 C ATOM 1773 C ASN A 110 -4.368 11.514 3.728 1.00 0.00 C ATOM 1774 O ASN A 110 -5.401 12.173 3.839 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.243 9.941 5.318 1.00 0.00 C ATOM 1776 CG ASN A 110 -3.753 9.218 6.549 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.277 8.135 6.889 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -4.728 9.816 7.225 1.00 0.00 N ATOM 0 H ASN A 110 -3.232 8.529 3.304 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.292 9.824 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.383 9.406 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.896 10.935 5.601 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.112 9.377 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.093 10.714 6.907 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.253 12.009 3.195 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.193 13.385 2.705 1.00 0.00 C ATOM 1787 C HIS A 111 -3.292 13.438 1.186 1.00 0.00 C ATOM 1788 O HIS A 111 -2.842 12.525 0.501 1.00 0.00 O ATOM 1789 CB HIS A 111 -1.897 14.056 3.167 1.00 0.00 C ATOM 1790 CG HIS A 111 -2.117 15.335 3.917 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -1.611 16.549 3.500 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -2.792 15.585 5.064 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -1.963 17.489 4.360 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -2.681 16.930 5.317 1.00 0.00 N ATOM 0 H HIS A 111 -2.385 11.483 3.092 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.045 13.924 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.345 13.363 3.802 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.272 14.258 2.297 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -3.319 14.861 5.667 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -1.707 18.536 4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -3.087 17.418 6.115 1.00 0.00 H new ATOM 1803 N PRO A 112 -3.878 14.518 0.637 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.026 14.687 -0.813 1.00 0.00 C ATOM 1805 C PRO A 112 -2.683 14.882 -1.507 1.00 0.00 C ATOM 1806 O PRO A 112 -2.394 14.236 -2.515 1.00 0.00 O ATOM 1807 CB PRO A 112 -4.885 15.948 -0.943 1.00 0.00 C ATOM 1808 CG PRO A 112 -4.657 16.698 0.322 1.00 0.00 C ATOM 1809 CD PRO A 112 -4.433 15.660 1.386 1.00 0.00 C ATOM 0 HA PRO A 112 -4.468 13.809 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.591 16.538 -1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.938 15.697 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.794 17.358 0.234 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.515 17.325 0.564 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.742 16.012 2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -5.362 15.396 1.892 1.00 0.00 H new ATOM 1817 N THR A 113 -1.864 15.773 -0.959 1.00 0.00 N ATOM 1818 CA THR A 113 -0.548 16.048 -1.523 1.00 0.00 C ATOM 1819 C THR A 113 0.372 14.840 -1.361 1.00 0.00 C ATOM 1820 O THR A 113 1.327 14.668 -2.117 1.00 0.00 O ATOM 1821 CB THR A 113 0.072 17.272 -0.849 1.00 0.00 C ATOM 1822 OG1 THR A 113 -0.771 18.401 -0.987 1.00 0.00 O ATOM 1823 CG2 THR A 113 1.429 17.641 -1.410 1.00 0.00 C ATOM 0 H THR A 113 -2.088 16.317 -0.126 1.00 0.00 H new ATOM 0 HA THR A 113 -0.668 16.252 -2.587 1.00 0.00 H new ATOM 0 HB THR A 113 0.193 16.995 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 113 -0.358 19.173 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 113 1.812 18.518 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 113 2.118 16.807 -1.274 1.00 0.00 H new ATOM 0 HG23 THR A 113 1.335 17.864 -2.473 1.00 0.00 H new ATOM 1831 N MET A 114 0.075 14.004 -0.368 1.00 0.00 N ATOM 1832 CA MET A 114 0.870 12.811 -0.105 1.00 0.00 C ATOM 1833 C MET A 114 0.927 11.912 -1.338 1.00 0.00 C ATOM 1834 O MET A 114 1.917 11.218 -1.568 1.00 0.00 O ATOM 1835 CB MET A 114 0.290 12.043 1.086 1.00 0.00 C ATOM 1836 CG MET A 114 1.156 12.108 2.335 1.00 0.00 C ATOM 1837 SD MET A 114 2.715 11.221 2.149 1.00 0.00 S ATOM 1838 CE MET A 114 2.140 9.676 1.452 1.00 0.00 C ATOM 0 H MET A 114 -0.712 14.133 0.268 1.00 0.00 H new ATOM 0 HA MET A 114 1.886 13.122 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 114 -0.698 12.442 1.318 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.154 10.999 0.803 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.363 13.151 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.604 11.691 3.177 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.961 8.960 1.427 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.331 9.279 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.777 9.847 0.439 1.00 0.00 H new ATOM 1848 N LEU A 115 -0.141 11.934 -2.131 1.00 0.00 N ATOM 1849 CA LEU A 115 -0.209 11.127 -3.346 1.00 0.00 C ATOM 1850 C LEU A 115 0.719 11.694 -4.411 1.00 0.00 C ATOM 1851 O LEU A 115 1.560 10.985 -4.964 1.00 0.00 O ATOM 1852 CB LEU A 115 -1.644 11.083 -3.883 1.00 0.00 C ATOM 1853 CG LEU A 115 -2.666 10.382 -2.985 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -2.133 9.043 -2.504 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -3.032 11.266 -1.804 1.00 0.00 C ATOM 0 H LEU A 115 -0.970 12.501 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 115 0.107 10.113 -3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.980 12.106 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.635 10.583 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.566 10.199 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.876 8.563 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.924 8.405 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.216 9.199 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.760 10.752 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.137 11.482 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.462 12.199 -2.168 1.00 0.00 H new ATOM 1867 N GLN A 116 0.564 12.986 -4.686 1.00 0.00 N ATOM 1868 CA GLN A 116 1.386 13.671 -5.678 1.00 0.00 C ATOM 1869 C GLN A 116 1.155 13.101 -7.074 1.00 0.00 C ATOM 1870 O GLN A 116 0.458 13.702 -7.891 1.00 0.00 O ATOM 1871 CB GLN A 116 2.869 13.568 -5.303 1.00 0.00 C ATOM 1872 CG GLN A 116 3.793 14.297 -6.265 1.00 0.00 C ATOM 1873 CD GLN A 116 4.106 15.710 -5.813 1.00 0.00 C ATOM 1874 OE1 GLN A 116 3.936 16.667 -6.567 1.00 0.00 O ATOM 1875 NE2 GLN A 116 4.569 15.846 -4.576 1.00 0.00 N ATOM 0 H GLN A 116 -0.128 13.583 -4.232 1.00 0.00 H new ATOM 0 HA GLN A 116 1.095 14.721 -5.689 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.010 13.972 -4.301 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.153 12.516 -5.266 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.723 13.737 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 116 3.332 14.329 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.694 15.024 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 116 4.799 16.772 -4.217 1.00 0.00 H new ATOM 1884 N ASP A 117 1.742 11.939 -7.343 1.00 0.00 N ATOM 1885 CA ASP A 117 1.594 11.296 -8.642 1.00 0.00 C ATOM 1886 C ASP A 117 0.141 10.884 -8.876 1.00 0.00 C ATOM 1887 O ASP A 117 -0.457 10.200 -8.047 1.00 0.00 O ATOM 1888 CB ASP A 117 2.509 10.071 -8.738 1.00 0.00 C ATOM 1889 CG ASP A 117 3.417 10.122 -9.950 1.00 0.00 C ATOM 1890 OD1 ASP A 117 2.899 10.042 -11.084 1.00 0.00 O ATOM 1891 OD2 ASP A 117 4.647 10.242 -9.767 1.00 0.00 O ATOM 0 H ASP A 117 2.323 11.425 -6.680 1.00 0.00 H new ATOM 0 HA ASP A 117 1.881 12.012 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.116 10.003 -7.835 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.900 9.168 -8.782 1.00 0.00 H new ATOM 1896 N PRO A 118 -0.449 11.295 -10.014 1.00 0.00 N ATOM 1897 CA PRO A 118 -1.838 10.961 -10.342 1.00 0.00 C ATOM 1898 C PRO A 118 -2.118 9.465 -10.239 1.00 0.00 C ATOM 1899 O PRO A 118 -3.266 9.052 -10.073 1.00 0.00 O ATOM 1900 CB PRO A 118 -1.984 11.431 -11.791 1.00 0.00 C ATOM 1901 CG PRO A 118 -0.967 12.507 -11.945 1.00 0.00 C ATOM 1902 CD PRO A 118 0.186 12.115 -11.064 1.00 0.00 C ATOM 0 HA PRO A 118 -2.541 11.429 -9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.806 10.615 -12.492 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.989 11.805 -11.986 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -0.651 12.599 -12.984 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.374 13.474 -11.649 1.00 0.00 H new ATOM 0 HD2 PRO A 118 0.938 11.550 -11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.686 12.988 -10.645 1.00 0.00 H new ATOM 1910 N ASP A 119 -1.067 8.657 -10.339 1.00 0.00 N ATOM 1911 CA ASP A 119 -1.211 7.210 -10.258 1.00 0.00 C ATOM 1912 C ASP A 119 -1.445 6.758 -8.831 1.00 0.00 C ATOM 1913 O ASP A 119 -2.370 6.000 -8.559 1.00 0.00 O ATOM 1914 CB ASP A 119 0.032 6.512 -10.791 1.00 0.00 C ATOM 1915 CG ASP A 119 -0.034 6.258 -12.285 1.00 0.00 C ATOM 1916 OD1 ASP A 119 -0.817 6.948 -12.971 1.00 0.00 O ATOM 1917 OD2 ASP A 119 0.699 5.369 -12.768 1.00 0.00 O ATOM 0 H ASP A 119 -0.109 8.980 -10.476 1.00 0.00 H new ATOM 0 HA ASP A 119 -2.075 6.942 -10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.909 7.120 -10.568 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.162 5.563 -10.271 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.589 7.215 -7.924 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.699 6.835 -6.524 1.00 0.00 C ATOM 1924 C VAL A 120 -2.048 7.237 -5.966 1.00 0.00 C ATOM 1925 O VAL A 120 -2.642 6.518 -5.162 1.00 0.00 O ATOM 1926 CB VAL A 120 0.400 7.477 -5.669 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.457 6.800 -4.311 1.00 0.00 C ATOM 1928 CG2 VAL A 120 1.742 7.402 -6.381 1.00 0.00 C ATOM 0 H VAL A 120 0.185 7.846 -8.133 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.586 5.752 -6.483 1.00 0.00 H new ATOM 0 HB VAL A 120 0.166 8.531 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.240 7.260 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.503 6.913 -3.807 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.676 5.740 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.510 7.862 -5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 120 2.000 6.359 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.679 7.931 -7.332 1.00 0.00 H new ATOM 1938 N ARG A 121 -2.538 8.378 -6.416 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.832 8.866 -5.983 1.00 0.00 C ATOM 1940 C ARG A 121 -4.914 7.858 -6.350 1.00 0.00 C ATOM 1941 O ARG A 121 -5.933 7.753 -5.669 1.00 0.00 O ATOM 1942 CB ARG A 121 -4.125 10.236 -6.605 1.00 0.00 C ATOM 1943 CG ARG A 121 -5.505 10.780 -6.266 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.443 11.801 -5.141 1.00 0.00 C ATOM 1945 NE ARG A 121 -6.621 11.737 -4.278 1.00 0.00 N ATOM 1946 CZ ARG A 121 -6.931 12.665 -3.375 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -6.153 13.730 -3.214 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -8.021 12.529 -2.632 1.00 0.00 N ATOM 0 H ARG A 121 -2.058 8.984 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.822 8.986 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.371 10.947 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.030 10.161 -7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.943 11.240 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.160 9.958 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.547 11.629 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.357 12.802 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 121 -7.242 10.934 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.314 13.839 -3.784 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.395 14.438 -2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.622 11.714 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.259 13.240 -1.940 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.687 7.112 -7.435 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.653 6.114 -7.879 1.00 0.00 C ATOM 1964 C GLU A 122 -5.037 4.719 -7.949 1.00 0.00 C ATOM 1965 O GLU A 122 -5.635 3.803 -8.514 1.00 0.00 O ATOM 1966 CB GLU A 122 -6.216 6.501 -9.248 1.00 0.00 C ATOM 1967 CG GLU A 122 -6.943 7.836 -9.251 1.00 0.00 C ATOM 1968 CD GLU A 122 -7.001 8.465 -10.630 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -6.190 8.075 -11.495 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -7.860 9.346 -10.844 1.00 0.00 O ATOM 0 H GLU A 122 -3.850 7.182 -8.014 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.458 6.087 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.400 6.539 -9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.901 5.723 -9.583 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -7.957 7.694 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.443 8.519 -8.565 1.00 0.00 H new ATOM 1977 N PHE A 123 -3.845 4.550 -7.378 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.184 3.252 -7.396 1.00 0.00 C ATOM 1979 C PHE A 123 -3.708 2.356 -6.282 1.00 0.00 C ATOM 1980 O PHE A 123 -3.769 1.135 -6.424 1.00 0.00 O ATOM 1981 CB PHE A 123 -1.670 3.425 -7.272 1.00 0.00 C ATOM 1982 CG PHE A 123 -0.907 2.750 -8.372 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.316 1.519 -8.847 1.00 0.00 C ATOM 1984 CD2 PHE A 123 0.213 3.344 -8.929 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -0.623 0.886 -9.862 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.912 2.717 -9.944 1.00 0.00 C ATOM 1987 CZ PHE A 123 0.493 1.487 -10.410 1.00 0.00 C ATOM 0 H PHE A 123 -3.325 5.288 -6.903 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.406 2.772 -8.349 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.431 4.488 -7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.342 3.025 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.188 1.045 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.544 4.306 -8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -0.953 -0.076 -10.225 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.784 3.189 -10.372 1.00 0.00 H new ATOM 0 HZ PHE A 123 1.038 0.995 -11.202 1.00 0.00 H new ATOM 1997 N LEU A 124 -4.084 2.977 -5.174 1.00 0.00 N ATOM 1998 CA LEU A 124 -4.603 2.252 -4.018 1.00 0.00 C ATOM 1999 C LEU A 124 -5.759 1.329 -4.404 1.00 0.00 C ATOM 2000 O LEU A 124 -5.978 0.299 -3.768 1.00 0.00 O ATOM 2001 CB LEU A 124 -5.063 3.239 -2.942 1.00 0.00 C ATOM 2002 CG LEU A 124 -6.321 4.042 -3.290 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -7.260 4.113 -2.096 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -5.946 5.440 -3.762 1.00 0.00 C ATOM 0 H LEU A 124 -4.040 3.988 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.796 1.633 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.247 2.687 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -4.250 3.937 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.841 3.532 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -8.147 4.687 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.555 3.105 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -6.752 4.598 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.851 5.997 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.403 5.957 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -5.315 5.368 -4.648 1.00 0.00 H new ATOM 2016 N GLU A 125 -6.499 1.707 -5.444 1.00 0.00 N ATOM 2017 CA GLU A 125 -7.633 0.909 -5.900 1.00 0.00 C ATOM 2018 C GLU A 125 -7.641 0.765 -7.419 1.00 0.00 C ATOM 2019 O GLU A 125 -8.683 0.508 -8.021 1.00 0.00 O ATOM 2020 CB GLU A 125 -8.944 1.541 -5.433 1.00 0.00 C ATOM 2021 CG GLU A 125 -9.113 2.985 -5.878 1.00 0.00 C ATOM 2022 CD GLU A 125 -10.465 3.555 -5.501 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -10.624 3.987 -4.339 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -11.366 3.571 -6.366 1.00 0.00 O ATOM 0 H GLU A 125 -6.334 2.557 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.534 -0.086 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.778 0.952 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -8.992 1.496 -4.345 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.328 3.594 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.985 3.046 -6.959 1.00 0.00 H new ATOM 2031 N LYS A 126 -6.476 0.932 -8.036 1.00 0.00 N ATOM 2032 CA LYS A 126 -6.357 0.817 -9.486 1.00 0.00 C ATOM 2033 C LYS A 126 -6.736 -0.586 -9.951 1.00 0.00 C ATOM 2034 O LYS A 126 -6.427 -1.575 -9.287 1.00 0.00 O ATOM 2035 CB LYS A 126 -4.929 1.146 -9.931 1.00 0.00 C ATOM 2036 CG LYS A 126 -4.713 1.026 -11.432 1.00 0.00 C ATOM 2037 CD LYS A 126 -4.593 2.392 -12.092 1.00 0.00 C ATOM 2038 CE LYS A 126 -3.163 2.906 -12.050 1.00 0.00 C ATOM 2039 NZ LYS A 126 -2.960 3.895 -10.955 1.00 0.00 N ATOM 0 H LYS A 126 -5.602 1.147 -7.556 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.044 1.531 -9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.685 2.161 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.236 0.479 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.810 0.447 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.544 0.478 -11.877 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -4.928 2.328 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -5.251 3.100 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.480 2.068 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.915 3.367 -13.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -2.449 4.722 -11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -3.884 4.196 -10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.405 3.458 -10.191 1.00 0.00 H new ATOM 2053 N GLU A 127 -7.404 -0.664 -11.096 1.00 0.00 N ATOM 2054 CA GLU A 127 -7.823 -1.945 -11.651 1.00 0.00 C ATOM 2055 C GLU A 127 -6.824 -2.438 -12.693 1.00 0.00 C ATOM 2056 O GLU A 127 -6.588 -3.640 -12.821 1.00 0.00 O ATOM 2057 CB GLU A 127 -9.214 -1.825 -12.276 1.00 0.00 C ATOM 2058 CG GLU A 127 -10.236 -1.172 -11.360 1.00 0.00 C ATOM 2059 CD GLU A 127 -10.652 0.207 -11.837 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -9.786 1.105 -11.882 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -11.844 0.387 -12.164 1.00 0.00 O ATOM 0 H GLU A 127 -7.667 0.145 -11.658 1.00 0.00 H new ATOM 0 HA GLU A 127 -7.861 -2.670 -10.838 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -9.141 -1.246 -13.197 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -9.567 -2.819 -12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -11.117 -1.810 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -9.821 -1.095 -10.355 1.00 0.00 H new ATOM 2068 N GLU A 128 -6.241 -1.503 -13.434 1.00 0.00 N ATOM 2069 CA GLU A 128 -5.267 -1.841 -14.466 1.00 0.00 C ATOM 2070 C GLU A 128 -4.253 -0.715 -14.646 1.00 0.00 C ATOM 2071 O GLU A 128 -4.676 0.413 -14.972 1.00 0.00 O ATOM 2072 CB GLU A 128 -5.974 -2.123 -15.792 1.00 0.00 C ATOM 2073 CG GLU A 128 -5.107 -2.858 -16.799 1.00 0.00 C ATOM 2074 CD GLU A 128 -5.288 -2.342 -18.213 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -6.406 -1.891 -18.542 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -4.313 -2.389 -18.993 1.00 0.00 O ATOM 2077 OXT GLU A 128 -3.045 -0.973 -14.459 1.00 0.00 O ATOM 0 H GLU A 128 -6.426 -0.504 -13.340 1.00 0.00 H new ATOM 0 HA GLU A 128 -4.735 -2.738 -14.149 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.870 -2.712 -15.598 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.301 -1.179 -16.228 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.060 -2.759 -16.512 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -5.346 -3.921 -16.771 1.00 0.00 H new TER 2084 GLU A 128