USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 850 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 NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 124 ZNZN :(H bumps) USER MOD Set 1.1: A 36 ASN : amide:sc= -2.14! K(o=-1.1!,f=0.89) USER MOD Set 1.2: A 41 SER OG : rot 56:sc= 1.17 USER MOD Set 1.3: A 61 HIS : no HE2:sc= -0.104 K(o=-1.1,f=-1.9) USER MOD Single : A 1 VAL N :NH3+ 144:sc= 0.0291 (180deg=-0.256) USER MOD Single : A 2 SER OG : rot 180:sc= -0.435 USER MOD Single : A 3 LYS NZ :NH3+ 168:sc=-0.00907 (180deg=-0.142) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 13 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.11) USER MOD Single : A 20 SER OG : rot -7:sc= 0.971 USER MOD Single : A 23 LYS NZ :NH3+ -117:sc= -2.27! (180deg=-4.89!) USER MOD Single : A 32 ASN : amide:sc= -1.04 K(o=-1,f=-2.8) USER MOD Single : A 38 THR OG1 : rot 179:sc= 1.74 USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.64) USER MOD Single : A 51 SER OG : rot 180:sc= -0.11 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 159:sc= -1.47 (180deg=-3.13!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -63:sc= 2.01 USER MOD Single : A 77 THR OG1 : rot -61:sc= 1.71 USER MOD Single : A 84 TYR OH : rot 84:sc= 0.541 USER MOD Single : A 85 SER OG : rot 28:sc= 0.473 USER MOD Single : A 87 GLN : amide:sc= 0.745 K(o=0.74,f=1.3) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= 0.823 K(o=0.82,f=-7.3!) USER MOD Single : A 103 HIS : no HD1:sc= -0.755! C(o=-0.76!,f=-6.6!) USER MOD Single : A 108 MET CE :methyl -150:sc= -1.67! (180deg=-2.53!) USER MOD Single : A 110 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 111 MET CE :methyl -159:sc= -0.135 (180deg=-0.664) USER MOD Single : A 112 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.092) USER MOD Single : A 114 THR OG1 : rot -31:sc= 0.178 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.141 -9.568 -11.700 1.00 0.75 N ATOM 2 CA VAL A 1 -5.948 -9.445 -10.470 1.00 0.65 C ATOM 3 C VAL A 1 -5.183 -10.026 -9.287 1.00 0.73 C ATOM 4 O VAL A 1 -4.427 -10.986 -9.440 1.00 0.89 O ATOM 5 CB VAL A 1 -7.299 -10.180 -10.623 1.00 0.76 C ATOM 6 CG1 VAL A 1 -7.068 -11.665 -10.824 1.00 1.17 C ATOM 7 CG2 VAL A 1 -8.202 -9.937 -9.418 1.00 1.17 C ATOM 0 H1 VAL A 1 -5.766 -9.768 -12.507 1.00 0.75 H new ATOM 0 H2 VAL A 1 -4.630 -8.678 -11.870 1.00 0.75 H new ATOM 0 H3 VAL A 1 -4.458 -10.345 -11.591 1.00 0.75 H new ATOM 0 HA VAL A 1 -6.144 -8.387 -10.295 1.00 0.65 H new ATOM 0 HB VAL A 1 -7.804 -9.780 -11.502 1.00 0.76 H new ATOM 0 HG11 VAL A 1 -8.027 -12.171 -10.930 1.00 1.17 H new ATOM 0 HG12 VAL A 1 -6.473 -11.822 -11.724 1.00 1.17 H new ATOM 0 HG13 VAL A 1 -6.537 -12.071 -9.963 1.00 1.17 H new ATOM 0 HG21 VAL A 1 -9.144 -10.467 -9.557 1.00 1.17 H new ATOM 0 HG22 VAL A 1 -7.710 -10.300 -8.516 1.00 1.17 H new ATOM 0 HG23 VAL A 1 -8.398 -8.869 -9.320 1.00 1.17 H new ATOM 17 N SER A 2 -5.336 -9.415 -8.123 1.00 0.77 N ATOM 18 CA SER A 2 -4.789 -9.970 -6.902 1.00 1.05 C ATOM 19 C SER A 2 -5.530 -11.245 -6.509 1.00 0.74 C ATOM 20 O SER A 2 -6.689 -11.189 -6.099 1.00 0.74 O ATOM 21 CB SER A 2 -4.919 -8.953 -5.770 1.00 1.59 C ATOM 22 OG SER A 2 -4.570 -7.657 -6.208 1.00 2.17 O ATOM 0 H SER A 2 -5.835 -8.534 -8.001 1.00 0.77 H new ATOM 0 HA SER A 2 -3.739 -10.207 -7.074 1.00 1.05 H new ATOM 0 HB2 SER A 2 -5.943 -8.950 -5.395 1.00 1.59 H new ATOM 0 HB3 SER A 2 -4.276 -9.245 -4.939 1.00 1.59 H new ATOM 0 HG SER A 2 -4.663 -7.025 -5.465 1.00 2.17 H new ATOM 28 N LYS A 3 -4.871 -12.394 -6.632 1.00 1.00 N ATOM 29 CA LYS A 3 -5.437 -13.638 -6.118 1.00 1.20 C ATOM 30 C LYS A 3 -5.538 -13.551 -4.598 1.00 1.01 C ATOM 31 O LYS A 3 -6.351 -14.224 -3.967 1.00 1.21 O ATOM 32 CB LYS A 3 -4.582 -14.843 -6.523 1.00 1.77 C ATOM 33 CG LYS A 3 -4.489 -15.055 -8.022 1.00 2.09 C ATOM 34 CD LYS A 3 -3.730 -16.330 -8.356 1.00 2.48 C ATOM 35 CE LYS A 3 -3.559 -16.504 -9.857 1.00 2.97 C ATOM 36 NZ LYS A 3 -2.658 -15.473 -10.439 1.00 3.76 N ATOM 0 H LYS A 3 -3.958 -12.490 -7.076 1.00 1.00 H new ATOM 0 HA LYS A 3 -6.430 -13.776 -6.547 1.00 1.20 H new ATOM 0 HB2 LYS A 3 -3.577 -14.714 -6.121 1.00 1.77 H new ATOM 0 HB3 LYS A 3 -4.996 -15.741 -6.064 1.00 1.77 H new ATOM 0 HG2 LYS A 3 -5.492 -15.105 -8.447 1.00 2.09 H new ATOM 0 HG3 LYS A 3 -3.990 -14.202 -8.481 1.00 2.09 H new ATOM 0 HD2 LYS A 3 -2.751 -16.307 -7.878 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -4.263 -17.189 -7.948 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -3.156 -17.496 -10.063 1.00 2.97 H new ATOM 0 HE3 LYS A 3 -4.534 -16.449 -10.342 1.00 2.97 H new ATOM 0 HZ1 LYS A 3 -2.406 -15.741 -11.412 1.00 3.76 H new ATOM 0 HZ2 LYS A 3 -3.143 -14.553 -10.448 1.00 3.76 H new ATOM 0 HZ3 LYS A 3 -1.794 -15.403 -9.864 1.00 3.76 H new ATOM 50 N TYR A 4 -4.711 -12.685 -4.030 1.00 0.82 N ATOM 51 CA TYR A 4 -4.707 -12.422 -2.601 1.00 0.74 C ATOM 52 C TYR A 4 -5.620 -11.247 -2.254 1.00 0.71 C ATOM 53 O TYR A 4 -5.335 -10.471 -1.348 1.00 0.85 O ATOM 54 CB TYR A 4 -3.275 -12.151 -2.129 1.00 0.79 C ATOM 55 CG TYR A 4 -2.509 -13.406 -1.778 1.00 0.97 C ATOM 56 CD1 TYR A 4 -1.864 -14.147 -2.759 1.00 1.18 C ATOM 57 CD2 TYR A 4 -2.438 -13.853 -0.464 1.00 1.63 C ATOM 58 CE1 TYR A 4 -1.167 -15.298 -2.440 1.00 1.59 C ATOM 59 CE2 TYR A 4 -1.745 -15.002 -0.138 1.00 2.20 C ATOM 60 CZ TYR A 4 -1.112 -15.720 -1.129 1.00 2.07 C ATOM 61 OH TYR A 4 -0.419 -16.864 -0.807 1.00 2.69 O ATOM 0 H TYR A 4 -4.021 -12.143 -4.551 1.00 0.82 H new ATOM 0 HA TYR A 4 -5.092 -13.302 -2.085 1.00 0.74 H new ATOM 0 HB2 TYR A 4 -2.738 -11.614 -2.911 1.00 0.79 H new ATOM 0 HB3 TYR A 4 -3.306 -11.498 -1.257 1.00 0.79 H new ATOM 0 HD1 TYR A 4 -1.907 -13.819 -3.787 1.00 1.18 H new ATOM 0 HD2 TYR A 4 -2.933 -13.292 0.315 1.00 1.63 H new ATOM 0 HE1 TYR A 4 -0.669 -15.863 -3.214 1.00 1.59 H new ATOM 0 HE2 TYR A 4 -1.699 -15.336 0.888 1.00 2.20 H new ATOM 0 HH TYR A 4 -0.477 -17.021 0.159 1.00 2.69 H new ATOM 71 N ALA A 5 -6.715 -11.111 -2.993 1.00 0.72 N ATOM 72 CA ALA A 5 -7.708 -10.088 -2.697 1.00 0.78 C ATOM 73 C ALA A 5 -8.651 -10.578 -1.607 1.00 0.84 C ATOM 74 O ALA A 5 -8.873 -9.898 -0.604 1.00 1.03 O ATOM 75 CB ALA A 5 -8.491 -9.723 -3.946 1.00 1.02 C ATOM 0 H ALA A 5 -6.936 -11.695 -3.799 1.00 0.72 H new ATOM 0 HA ALA A 5 -7.192 -9.195 -2.344 1.00 0.78 H new ATOM 0 HB1 ALA A 5 -9.228 -8.957 -3.703 1.00 1.02 H new ATOM 0 HB2 ALA A 5 -7.808 -9.342 -4.705 1.00 1.02 H new ATOM 0 HB3 ALA A 5 -9.000 -10.608 -4.328 1.00 1.02 H new ATOM 81 N ASN A 6 -9.207 -11.764 -1.816 1.00 0.88 N ATOM 82 CA ASN A 6 -10.065 -12.398 -0.831 1.00 1.15 C ATOM 83 C ASN A 6 -9.231 -13.020 0.277 1.00 1.35 C ATOM 84 O ASN A 6 -9.595 -12.965 1.452 1.00 1.76 O ATOM 85 CB ASN A 6 -10.930 -13.463 -1.502 1.00 1.22 C ATOM 86 CG ASN A 6 -12.142 -12.873 -2.195 1.00 1.60 C ATOM 87 OD1 ASN A 6 -12.069 -12.449 -3.349 1.00 2.19 O ATOM 88 ND2 ASN A 6 -13.267 -12.854 -1.502 1.00 2.25 N ATOM 0 H ASN A 6 -9.076 -12.309 -2.668 1.00 0.88 H new ATOM 0 HA ASN A 6 -10.713 -11.640 -0.391 1.00 1.15 H new ATOM 0 HB2 ASN A 6 -10.329 -14.009 -2.229 1.00 1.22 H new ATOM 0 HB3 ASN A 6 -11.258 -14.184 -0.754 1.00 1.22 H new ATOM 0 HD21 ASN A 6 -14.118 -12.478 -1.921 1.00 2.25 H new ATOM 0 HD22 ASN A 6 -13.285 -13.215 -0.548 1.00 2.25 H new ATOM 95 N ASN A 7 -8.101 -13.596 -0.103 1.00 1.33 N ATOM 96 CA ASN A 7 -7.190 -14.210 0.856 1.00 1.82 C ATOM 97 C ASN A 7 -6.197 -13.189 1.387 1.00 1.74 C ATOM 98 O ASN A 7 -4.997 -13.442 1.451 1.00 2.40 O ATOM 99 CB ASN A 7 -6.447 -15.386 0.219 1.00 2.31 C ATOM 100 CG ASN A 7 -7.331 -16.606 0.063 1.00 2.79 C ATOM 101 OD1 ASN A 7 -8.025 -16.762 -0.942 1.00 3.33 O ATOM 102 ND2 ASN A 7 -7.302 -17.484 1.053 1.00 3.26 N ATOM 0 H ASN A 7 -7.790 -13.652 -1.073 1.00 1.33 H new ATOM 0 HA ASN A 7 -7.783 -14.584 1.691 1.00 1.82 H new ATOM 0 HB2 ASN A 7 -6.068 -15.087 -0.758 1.00 2.31 H new ATOM 0 HB3 ASN A 7 -5.583 -15.642 0.832 1.00 2.31 H new ATOM 0 HD21 ASN A 7 -7.869 -18.330 1.001 1.00 3.26 H new ATOM 0 HD22 ASN A 7 -6.712 -17.315 1.868 1.00 3.26 H new ATOM 109 N LEU A 8 -6.711 -12.028 1.756 1.00 1.18 N ATOM 110 CA LEU A 8 -5.890 -10.979 2.326 1.00 1.17 C ATOM 111 C LEU A 8 -6.163 -10.891 3.820 1.00 0.94 C ATOM 112 O LEU A 8 -7.162 -10.309 4.245 1.00 1.12 O ATOM 113 CB LEU A 8 -6.175 -9.639 1.632 1.00 1.36 C ATOM 114 CG LEU A 8 -5.196 -8.495 1.945 1.00 1.46 C ATOM 115 CD1 LEU A 8 -5.551 -7.800 3.248 1.00 1.38 C ATOM 116 CD2 LEU A 8 -3.768 -9.014 2.002 1.00 2.10 C ATOM 0 H LEU A 8 -7.699 -11.790 1.669 1.00 1.18 H new ATOM 0 HA LEU A 8 -4.837 -11.212 2.171 1.00 1.17 H new ATOM 0 HB2 LEU A 8 -6.177 -9.804 0.555 1.00 1.36 H new ATOM 0 HB3 LEU A 8 -7.179 -9.317 1.907 1.00 1.36 H new ATOM 0 HG LEU A 8 -5.276 -7.765 1.140 1.00 1.46 H new ATOM 0 HD11 LEU A 8 -4.839 -6.997 3.438 1.00 1.38 H new ATOM 0 HD12 LEU A 8 -6.556 -7.384 3.176 1.00 1.38 H new ATOM 0 HD13 LEU A 8 -5.514 -8.519 4.066 1.00 1.38 H new ATOM 0 HD21 LEU A 8 -3.090 -8.190 2.225 1.00 2.10 H new ATOM 0 HD22 LEU A 8 -3.687 -9.771 2.782 1.00 2.10 H new ATOM 0 HD23 LEU A 8 -3.502 -9.453 1.041 1.00 2.10 H new ATOM 128 N THR A 9 -5.296 -11.506 4.607 1.00 0.92 N ATOM 129 CA THR A 9 -5.407 -11.442 6.051 1.00 0.82 C ATOM 130 C THR A 9 -5.176 -10.012 6.529 1.00 0.67 C ATOM 131 O THR A 9 -4.102 -9.445 6.319 1.00 0.76 O ATOM 132 CB THR A 9 -4.391 -12.380 6.718 1.00 1.14 C ATOM 133 OG1 THR A 9 -4.351 -13.627 6.011 1.00 1.34 O ATOM 134 CG2 THR A 9 -4.764 -12.631 8.172 1.00 1.25 C ATOM 0 H THR A 9 -4.507 -12.056 4.267 1.00 0.92 H new ATOM 0 HA THR A 9 -6.411 -11.761 6.331 1.00 0.82 H new ATOM 0 HB THR A 9 -3.409 -11.907 6.687 1.00 1.14 H new ATOM 0 HG1 THR A 9 -3.701 -14.224 6.437 1.00 1.34 H new ATOM 0 HG21 THR A 9 -4.031 -13.298 8.626 1.00 1.25 H new ATOM 0 HG22 THR A 9 -4.777 -11.685 8.713 1.00 1.25 H new ATOM 0 HG23 THR A 9 -5.751 -13.090 8.220 1.00 1.25 H new ATOM 142 N GLN A 10 -6.190 -9.422 7.142 1.00 0.63 N ATOM 143 CA GLN A 10 -6.100 -8.045 7.599 1.00 0.63 C ATOM 144 C GLN A 10 -5.664 -8.005 9.058 1.00 0.66 C ATOM 145 O GLN A 10 -6.270 -8.644 9.919 1.00 0.85 O ATOM 146 CB GLN A 10 -7.442 -7.331 7.407 1.00 0.78 C ATOM 147 CG GLN A 10 -8.002 -7.480 6.002 1.00 0.90 C ATOM 148 CD GLN A 10 -9.177 -6.565 5.729 1.00 1.21 C ATOM 149 OE1 GLN A 10 -9.006 -5.453 5.234 1.00 1.49 O ATOM 150 NE2 GLN A 10 -10.374 -7.020 6.059 1.00 1.91 N ATOM 0 H GLN A 10 -7.084 -9.875 7.334 1.00 0.63 H new ATOM 0 HA GLN A 10 -5.351 -7.522 7.004 1.00 0.63 H new ATOM 0 HB2 GLN A 10 -8.163 -7.727 8.123 1.00 0.78 H new ATOM 0 HB3 GLN A 10 -7.318 -6.272 7.632 1.00 0.78 H new ATOM 0 HG2 GLN A 10 -7.213 -7.273 5.279 1.00 0.90 H new ATOM 0 HG3 GLN A 10 -8.311 -8.514 5.849 1.00 0.90 H new ATOM 0 HE21 GLN A 10 -10.471 -7.949 6.468 1.00 1.91 H new ATOM 0 HE22 GLN A 10 -11.200 -6.441 5.905 1.00 1.91 H new ATOM 159 N LEU A 11 -4.608 -7.257 9.322 1.00 0.56 N ATOM 160 CA LEU A 11 -3.999 -7.210 10.640 1.00 0.56 C ATOM 161 C LEU A 11 -4.114 -5.815 11.237 1.00 0.57 C ATOM 162 O LEU A 11 -3.578 -4.849 10.697 1.00 0.73 O ATOM 163 CB LEU A 11 -2.529 -7.642 10.539 1.00 0.62 C ATOM 164 CG LEU A 11 -1.652 -7.388 11.771 1.00 0.53 C ATOM 165 CD1 LEU A 11 -2.253 -8.033 13.014 1.00 0.91 C ATOM 166 CD2 LEU A 11 -0.248 -7.921 11.528 1.00 0.88 C ATOM 0 H LEU A 11 -4.148 -6.665 8.630 1.00 0.56 H new ATOM 0 HA LEU A 11 -4.526 -7.897 11.302 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -2.502 -8.709 10.316 1.00 0.62 H new ATOM 0 HB3 LEU A 11 -2.080 -7.127 9.690 1.00 0.62 H new ATOM 0 HG LEU A 11 -1.602 -6.312 11.940 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -1.611 -7.837 13.872 1.00 0.91 H new ATOM 0 HD12 LEU A 11 -3.243 -7.615 13.198 1.00 0.91 H new ATOM 0 HD13 LEU A 11 -2.336 -9.109 12.861 1.00 0.91 H new ATOM 0 HD21 LEU A 11 0.369 -7.737 12.408 1.00 0.88 H new ATOM 0 HD22 LEU A 11 -0.294 -8.993 11.335 1.00 0.88 H new ATOM 0 HD23 LEU A 11 0.189 -7.416 10.667 1.00 0.88 H new ATOM 178 N ASP A 12 -4.831 -5.714 12.343 1.00 0.63 N ATOM 179 CA ASP A 12 -4.978 -4.445 13.035 1.00 0.83 C ATOM 180 C ASP A 12 -4.171 -4.463 14.317 1.00 0.94 C ATOM 181 O ASP A 12 -4.618 -4.980 15.341 1.00 1.05 O ATOM 182 CB ASP A 12 -6.449 -4.155 13.346 1.00 1.10 C ATOM 183 CG ASP A 12 -7.279 -3.953 12.097 1.00 1.44 C ATOM 184 OD1 ASP A 12 -7.728 -4.956 11.501 1.00 1.94 O ATOM 185 OD2 ASP A 12 -7.482 -2.792 11.691 1.00 2.02 O ATOM 0 H ASP A 12 -5.320 -6.495 12.781 1.00 0.63 H new ATOM 0 HA ASP A 12 -4.607 -3.654 12.384 1.00 0.83 H new ATOM 0 HB2 ASP A 12 -6.864 -4.981 13.924 1.00 1.10 H new ATOM 0 HB3 ASP A 12 -6.516 -3.264 13.970 1.00 1.10 H new ATOM 190 N ASN A 13 -2.973 -3.912 14.254 1.00 1.02 N ATOM 191 CA ASN A 13 -2.104 -3.843 15.417 1.00 1.28 C ATOM 192 C ASN A 13 -1.362 -2.514 15.429 1.00 1.44 C ATOM 193 O ASN A 13 -0.133 -2.464 15.397 1.00 1.62 O ATOM 194 CB ASN A 13 -1.113 -5.015 15.417 1.00 1.46 C ATOM 195 CG ASN A 13 -0.293 -5.102 16.696 1.00 1.77 C ATOM 196 OD1 ASN A 13 0.866 -5.524 16.671 1.00 1.90 O ATOM 197 ND2 ASN A 13 -0.886 -4.728 17.822 1.00 2.47 N ATOM 0 H ASN A 13 -2.577 -3.504 13.407 1.00 1.02 H new ATOM 0 HA ASN A 13 -2.713 -3.914 16.318 1.00 1.28 H new ATOM 0 HB2 ASN A 13 -1.661 -5.947 15.280 1.00 1.46 H new ATOM 0 HB3 ASN A 13 -0.439 -4.913 14.566 1.00 1.46 H new ATOM 0 HD21 ASN A 13 -0.382 -4.784 18.707 1.00 2.47 H new ATOM 0 HD22 ASN A 13 -1.846 -4.384 17.803 1.00 2.47 H new ATOM 204 N GLY A 14 -2.122 -1.433 15.469 1.00 1.54 N ATOM 205 CA GLY A 14 -1.525 -0.115 15.456 1.00 1.82 C ATOM 206 C GLY A 14 -1.675 0.562 14.112 1.00 1.62 C ATOM 207 O GLY A 14 -1.011 1.560 13.833 1.00 1.79 O ATOM 0 H GLY A 14 -3.141 -1.444 15.510 1.00 1.54 H new ATOM 0 HA2 GLY A 14 -1.990 0.501 16.226 1.00 1.82 H new ATOM 0 HA3 GLY A 14 -0.467 -0.194 15.706 1.00 1.82 H new ATOM 211 N VAL A 15 -2.544 0.011 13.276 1.00 1.30 N ATOM 212 CA VAL A 15 -2.813 0.578 11.972 1.00 1.12 C ATOM 213 C VAL A 15 -3.875 1.667 12.062 1.00 1.26 C ATOM 214 O VAL A 15 -5.026 1.412 12.416 1.00 1.39 O ATOM 215 CB VAL A 15 -3.248 -0.516 10.972 1.00 0.92 C ATOM 216 CG1 VAL A 15 -4.425 -1.317 11.497 1.00 0.98 C ATOM 217 CG2 VAL A 15 -3.571 0.087 9.612 1.00 0.93 C ATOM 0 H VAL A 15 -3.076 -0.834 13.484 1.00 1.30 H new ATOM 0 HA VAL A 15 -1.889 1.027 11.607 1.00 1.12 H new ATOM 0 HB VAL A 15 -2.409 -1.201 10.853 1.00 0.92 H new ATOM 0 HG11 VAL A 15 -4.703 -2.077 10.767 1.00 0.98 H new ATOM 0 HG12 VAL A 15 -4.148 -1.799 12.435 1.00 0.98 H new ATOM 0 HG13 VAL A 15 -5.271 -0.651 11.668 1.00 0.98 H new ATOM 0 HG21 VAL A 15 -3.875 -0.704 8.926 1.00 0.93 H new ATOM 0 HG22 VAL A 15 -4.382 0.808 9.717 1.00 0.93 H new ATOM 0 HG23 VAL A 15 -2.688 0.590 9.218 1.00 0.93 H new ATOM 227 N ARG A 16 -3.468 2.888 11.778 1.00 1.34 N ATOM 228 CA ARG A 16 -4.391 4.005 11.748 1.00 1.54 C ATOM 229 C ARG A 16 -4.064 4.904 10.565 1.00 1.39 C ATOM 230 O ARG A 16 -3.200 5.780 10.649 1.00 1.49 O ATOM 231 CB ARG A 16 -4.331 4.782 13.061 1.00 1.95 C ATOM 232 CG ARG A 16 -5.672 5.369 13.468 1.00 2.24 C ATOM 233 CD ARG A 16 -6.103 6.497 12.550 1.00 2.54 C ATOM 234 NE ARG A 16 -7.397 7.047 12.938 1.00 3.18 N ATOM 235 CZ ARG A 16 -7.901 8.182 12.461 1.00 3.77 C ATOM 236 NH1 ARG A 16 -7.217 8.897 11.575 1.00 3.91 N ATOM 237 NH2 ARG A 16 -9.086 8.603 12.889 1.00 4.59 N ATOM 0 H ARG A 16 -2.501 3.132 11.564 1.00 1.34 H new ATOM 0 HA ARG A 16 -5.408 3.630 11.630 1.00 1.54 H new ATOM 0 HB2 ARG A 16 -3.976 4.121 13.851 1.00 1.95 H new ATOM 0 HB3 ARG A 16 -3.602 5.587 12.967 1.00 1.95 H new ATOM 0 HG2 ARG A 16 -6.429 4.585 13.458 1.00 2.24 H new ATOM 0 HG3 ARG A 16 -5.610 5.739 14.492 1.00 2.24 H new ATOM 0 HD2 ARG A 16 -5.352 7.287 12.568 1.00 2.54 H new ATOM 0 HD3 ARG A 16 -6.156 6.131 11.525 1.00 2.54 H new ATOM 0 HE ARG A 16 -7.951 6.528 13.619 1.00 3.18 H new ATOM 0 HH11 ARG A 16 -6.302 8.576 11.258 1.00 3.91 H new ATOM 0 HH12 ARG A 16 -7.607 9.767 11.211 1.00 3.91 H new ATOM 0 HH21 ARG A 16 -9.603 8.057 13.579 1.00 4.59 H new ATOM 0 HH22 ARG A 16 -9.479 9.472 12.528 1.00 4.59 H new ATOM 251 N ILE A 17 -4.764 4.683 9.472 1.00 1.28 N ATOM 252 CA ILE A 17 -4.465 5.361 8.220 1.00 1.19 C ATOM 253 C ILE A 17 -5.428 6.520 7.984 1.00 1.73 C ATOM 254 O ILE A 17 -6.633 6.403 8.219 1.00 2.16 O ATOM 255 CB ILE A 17 -4.552 4.389 7.022 1.00 1.21 C ATOM 256 CG1 ILE A 17 -3.891 3.049 7.356 1.00 1.00 C ATOM 257 CG2 ILE A 17 -3.877 5.003 5.810 1.00 1.15 C ATOM 258 CD1 ILE A 17 -2.396 3.147 7.542 1.00 0.64 C ATOM 0 H ILE A 17 -5.550 4.035 9.422 1.00 1.28 H new ATOM 0 HA ILE A 17 -3.447 5.743 8.299 1.00 1.19 H new ATOM 0 HB ILE A 17 -5.605 4.210 6.802 1.00 1.21 H new ATOM 0 HG12 ILE A 17 -4.337 2.649 8.267 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -4.104 2.338 6.558 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -3.942 4.313 4.969 1.00 1.15 H new ATOM 0 HG22 ILE A 17 -4.374 5.938 5.551 1.00 1.15 H new ATOM 0 HG23 ILE A 17 -2.829 5.200 6.038 1.00 1.15 H new ATOM 0 HD11 ILE A 17 -1.993 2.162 7.776 1.00 0.64 H new ATOM 0 HD12 ILE A 17 -1.939 3.517 6.624 1.00 0.64 H new ATOM 0 HD13 ILE A 17 -2.175 3.833 8.360 1.00 0.64 H new ATOM 270 N PRO A 18 -4.901 7.671 7.554 1.00 1.80 N ATOM 271 CA PRO A 18 -5.709 8.809 7.179 1.00 2.40 C ATOM 272 C PRO A 18 -6.083 8.769 5.704 1.00 2.55 C ATOM 273 O PRO A 18 -5.357 8.213 4.878 1.00 2.19 O ATOM 274 CB PRO A 18 -4.786 9.985 7.469 1.00 2.44 C ATOM 275 CG PRO A 18 -3.400 9.458 7.282 1.00 1.82 C ATOM 276 CD PRO A 18 -3.469 7.953 7.380 1.00 1.42 C ATOM 0 HA PRO A 18 -6.657 8.852 7.714 1.00 2.40 H new ATOM 0 HB2 PRO A 18 -4.985 10.816 6.793 1.00 2.44 H new ATOM 0 HB3 PRO A 18 -4.931 10.357 8.483 1.00 2.44 H new ATOM 0 HG2 PRO A 18 -3.002 9.761 6.314 1.00 1.82 H new ATOM 0 HG3 PRO A 18 -2.731 9.861 8.042 1.00 1.82 H new ATOM 0 HD2 PRO A 18 -3.075 7.476 6.482 1.00 1.42 H new ATOM 0 HD3 PRO A 18 -2.884 7.581 8.221 1.00 1.42 H new ATOM 284 N PRO A 19 -7.229 9.363 5.362 1.00 3.21 N ATOM 285 CA PRO A 19 -7.683 9.480 3.972 1.00 3.52 C ATOM 286 C PRO A 19 -6.717 10.299 3.112 1.00 3.11 C ATOM 287 O PRO A 19 -6.810 10.293 1.883 1.00 3.33 O ATOM 288 CB PRO A 19 -9.030 10.206 4.082 1.00 4.30 C ATOM 289 CG PRO A 19 -9.446 10.076 5.508 1.00 4.44 C ATOM 290 CD PRO A 19 -8.186 9.946 6.314 1.00 3.79 C ATOM 0 HA PRO A 19 -7.749 8.504 3.491 1.00 3.52 H new ATOM 0 HB2 PRO A 19 -8.934 11.254 3.797 1.00 4.30 H new ATOM 0 HB3 PRO A 19 -9.770 9.761 3.417 1.00 4.30 H new ATOM 0 HG2 PRO A 19 -10.020 10.947 5.825 1.00 4.44 H new ATOM 0 HG3 PRO A 19 -10.086 9.205 5.647 1.00 4.44 H new ATOM 0 HD2 PRO A 19 -7.845 10.913 6.685 1.00 3.79 H new ATOM 0 HD3 PRO A 19 -8.330 9.304 7.183 1.00 3.79 H new ATOM 298 N SER A 20 -5.794 10.998 3.768 1.00 2.62 N ATOM 299 CA SER A 20 -4.832 11.863 3.100 1.00 2.22 C ATOM 300 C SER A 20 -3.695 12.194 4.061 1.00 1.11 C ATOM 301 O SER A 20 -3.887 12.187 5.280 1.00 1.53 O ATOM 302 CB SER A 20 -5.504 13.155 2.626 1.00 3.11 C ATOM 303 OG SER A 20 -6.465 12.904 1.609 1.00 3.71 O ATOM 0 H SER A 20 -5.694 10.978 4.783 1.00 2.62 H new ATOM 0 HA SER A 20 -4.436 11.341 2.229 1.00 2.22 H new ATOM 0 HB2 SER A 20 -5.988 13.645 3.471 1.00 3.11 H new ATOM 0 HB3 SER A 20 -4.747 13.843 2.250 1.00 3.11 H new ATOM 0 HG SER A 20 -6.422 11.962 1.343 1.00 3.71 H new ATOM 309 N GLY A 21 -2.520 12.481 3.521 1.00 1.33 N ATOM 310 CA GLY A 21 -1.384 12.799 4.361 1.00 1.87 C ATOM 311 C GLY A 21 -0.612 11.563 4.766 1.00 1.69 C ATOM 312 O GLY A 21 -0.255 11.400 5.933 1.00 2.56 O ATOM 0 H GLY A 21 -2.333 12.499 2.518 1.00 1.33 H new ATOM 0 HA2 GLY A 21 -0.721 13.482 3.830 1.00 1.87 H new ATOM 0 HA3 GLY A 21 -1.729 13.319 5.254 1.00 1.87 H new ATOM 316 N TRP A 22 -0.362 10.688 3.803 1.00 0.80 N ATOM 317 CA TRP A 22 0.385 9.463 4.054 1.00 0.60 C ATOM 318 C TRP A 22 1.877 9.747 4.087 1.00 0.47 C ATOM 319 O TRP A 22 2.319 10.829 3.683 1.00 0.57 O ATOM 320 CB TRP A 22 0.098 8.403 2.987 1.00 0.60 C ATOM 321 CG TRP A 22 -0.875 8.823 1.929 1.00 0.94 C ATOM 322 CD1 TRP A 22 -2.177 8.456 1.853 1.00 1.96 C ATOM 323 CD2 TRP A 22 -0.627 9.667 0.797 1.00 1.26 C ATOM 324 NE1 TRP A 22 -2.769 9.024 0.752 1.00 2.25 N ATOM 325 CE2 TRP A 22 -1.837 9.775 0.088 1.00 1.73 C ATOM 326 CE3 TRP A 22 0.494 10.349 0.318 1.00 2.10 C ATOM 327 CZ2 TRP A 22 -1.955 10.529 -1.075 1.00 2.22 C ATOM 328 CZ3 TRP A 22 0.376 11.097 -0.837 1.00 2.82 C ATOM 329 CH2 TRP A 22 -0.842 11.185 -1.521 1.00 2.65 C ATOM 0 H TRP A 22 -0.667 10.804 2.837 1.00 0.80 H new ATOM 0 HA TRP A 22 0.063 9.080 5.022 1.00 0.60 H new ATOM 0 HB2 TRP A 22 1.037 8.127 2.508 1.00 0.60 H new ATOM 0 HB3 TRP A 22 -0.285 7.508 3.478 1.00 0.60 H new ATOM 0 HD1 TRP A 22 -2.678 7.809 2.558 1.00 1.96 H new ATOM 0 HE1 TRP A 22 -3.743 8.906 0.474 1.00 2.25 H new ATOM 0 HE3 TRP A 22 1.437 10.292 0.842 1.00 2.10 H new ATOM 0 HZ2 TRP A 22 -2.893 10.594 -1.607 1.00 2.22 H new ATOM 0 HZ3 TRP A 22 1.238 11.623 -1.219 1.00 2.82 H new ATOM 0 HH2 TRP A 22 -0.904 11.783 -2.418 1.00 2.65 H new ATOM 340 N LYS A 23 2.646 8.770 4.556 1.00 0.41 N ATOM 341 CA LYS A 23 4.089 8.907 4.644 1.00 0.39 C ATOM 342 C LYS A 23 4.708 7.638 5.212 1.00 0.37 C ATOM 343 O LYS A 23 4.156 7.004 6.109 1.00 0.39 O ATOM 344 CB LYS A 23 4.458 10.120 5.502 1.00 0.51 C ATOM 345 CG LYS A 23 5.941 10.439 5.531 1.00 0.59 C ATOM 346 CD LYS A 23 6.193 11.876 5.959 1.00 0.70 C ATOM 347 CE LYS A 23 5.587 12.860 4.967 1.00 0.67 C ATOM 348 NZ LYS A 23 4.148 13.137 5.236 1.00 1.23 N ATOM 0 H LYS A 23 2.289 7.872 4.882 1.00 0.41 H new ATOM 0 HA LYS A 23 4.486 9.063 3.641 1.00 0.39 H new ATOM 0 HB2 LYS A 23 3.919 10.991 5.130 1.00 0.51 H new ATOM 0 HB3 LYS A 23 4.116 9.946 6.522 1.00 0.51 H new ATOM 0 HG2 LYS A 23 6.447 9.760 6.217 1.00 0.59 H new ATOM 0 HG3 LYS A 23 6.370 10.272 4.543 1.00 0.59 H new ATOM 0 HD2 LYS A 23 5.767 12.044 6.948 1.00 0.70 H new ATOM 0 HD3 LYS A 23 7.266 12.051 6.040 1.00 0.70 H new ATOM 0 HE2 LYS A 23 6.145 13.795 5.003 1.00 0.67 H new ATOM 0 HE3 LYS A 23 5.694 12.463 3.957 1.00 0.67 H new ATOM 0 HZ1 LYS A 23 3.576 12.815 4.430 1.00 1.23 H new ATOM 0 HZ2 LYS A 23 3.852 12.631 6.095 1.00 1.23 H new ATOM 0 HZ3 LYS A 23 4.011 14.159 5.371 1.00 1.23 H new ATOM 362 N CYS A 24 5.853 7.287 4.662 1.00 0.37 N ATOM 363 CA CYS A 24 6.571 6.075 5.013 1.00 0.40 C ATOM 364 C CYS A 24 7.094 6.111 6.450 1.00 0.48 C ATOM 365 O CYS A 24 7.486 7.156 6.973 1.00 0.57 O ATOM 366 CB CYS A 24 7.697 5.899 4.005 1.00 0.46 C ATOM 367 SG CYS A 24 9.217 5.228 4.667 1.00 0.80 S ATOM 0 H CYS A 24 6.320 7.844 3.946 1.00 0.37 H new ATOM 0 HA CYS A 24 5.895 5.221 4.973 1.00 0.40 H new ATOM 0 HB2 CYS A 24 7.348 5.245 3.206 1.00 0.46 H new ATOM 0 HB3 CYS A 24 7.913 6.867 3.553 1.00 0.46 H new ATOM 372 N ALA A 25 7.063 4.930 7.068 1.00 0.50 N ATOM 373 CA ALA A 25 7.440 4.734 8.463 1.00 0.62 C ATOM 374 C ALA A 25 8.895 5.105 8.743 1.00 0.70 C ATOM 375 O ALA A 25 9.224 5.566 9.834 1.00 0.90 O ATOM 376 CB ALA A 25 7.188 3.285 8.849 1.00 0.72 C ATOM 0 H ALA A 25 6.770 4.070 6.603 1.00 0.50 H new ATOM 0 HA ALA A 25 6.826 5.403 9.066 1.00 0.62 H new ATOM 0 HB1 ALA A 25 7.468 3.132 9.891 1.00 0.72 H new ATOM 0 HB2 ALA A 25 6.131 3.052 8.719 1.00 0.72 H new ATOM 0 HB3 ALA A 25 7.784 2.630 8.213 1.00 0.72 H new ATOM 382 N ARG A 26 9.763 4.881 7.767 1.00 0.72 N ATOM 383 CA ARG A 26 11.178 5.188 7.920 1.00 0.88 C ATOM 384 C ARG A 26 11.532 6.496 7.216 1.00 0.84 C ATOM 385 O ARG A 26 11.438 7.571 7.808 1.00 0.94 O ATOM 386 CB ARG A 26 12.051 4.046 7.383 1.00 1.00 C ATOM 387 CG ARG A 26 12.509 3.061 8.441 1.00 1.18 C ATOM 388 CD ARG A 26 11.450 2.015 8.742 1.00 1.06 C ATOM 389 NE ARG A 26 11.931 1.024 9.707 1.00 1.71 N ATOM 390 CZ ARG A 26 11.406 -0.193 9.864 1.00 1.86 C ATOM 391 NH1 ARG A 26 10.335 -0.557 9.169 1.00 1.80 N ATOM 392 NH2 ARG A 26 11.948 -1.044 10.729 1.00 2.59 N ATOM 0 H ARG A 26 9.512 4.487 6.860 1.00 0.72 H new ATOM 0 HA ARG A 26 11.377 5.303 8.986 1.00 0.88 H new ATOM 0 HB2 ARG A 26 11.493 3.506 6.618 1.00 1.00 H new ATOM 0 HB3 ARG A 26 12.928 4.473 6.896 1.00 1.00 H new ATOM 0 HG2 ARG A 26 13.421 2.567 8.106 1.00 1.18 H new ATOM 0 HG3 ARG A 26 12.756 3.600 9.356 1.00 1.18 H new ATOM 0 HD2 ARG A 26 10.557 2.502 9.134 1.00 1.06 H new ATOM 0 HD3 ARG A 26 11.160 1.514 7.819 1.00 1.06 H new ATOM 0 HE ARG A 26 12.721 1.281 10.299 1.00 1.71 H new ATOM 0 HH11 ARG A 26 9.909 0.095 8.510 1.00 1.80 H new ATOM 0 HH12 ARG A 26 9.939 -1.489 9.294 1.00 1.80 H new ATOM 0 HH21 ARG A 26 12.765 -0.767 11.273 1.00 2.59 H new ATOM 0 HH22 ARG A 26 11.547 -1.974 10.849 1.00 2.59 H new ATOM 406 N CYS A 27 11.919 6.399 5.947 1.00 0.75 N ATOM 407 CA CYS A 27 12.307 7.568 5.169 1.00 0.75 C ATOM 408 C CYS A 27 11.115 8.481 4.912 1.00 0.75 C ATOM 409 O CYS A 27 10.001 8.018 4.678 1.00 0.85 O ATOM 410 CB CYS A 27 12.928 7.123 3.854 1.00 0.75 C ATOM 411 SG CYS A 27 12.777 5.343 3.550 1.00 0.76 S ATOM 0 H CYS A 27 11.972 5.518 5.435 1.00 0.75 H new ATOM 0 HA CYS A 27 13.041 8.136 5.741 1.00 0.75 H new ATOM 0 HB2 CYS A 27 12.454 7.665 3.036 1.00 0.75 H new ATOM 0 HB3 CYS A 27 13.983 7.396 3.849 1.00 0.75 H new ATOM 416 N ASP A 28 11.373 9.774 4.902 1.00 0.72 N ATOM 417 CA ASP A 28 10.304 10.776 4.890 1.00 0.74 C ATOM 418 C ASP A 28 9.896 11.179 3.474 1.00 0.68 C ATOM 419 O ASP A 28 9.697 12.360 3.183 1.00 0.89 O ATOM 420 CB ASP A 28 10.717 12.013 5.701 1.00 0.86 C ATOM 421 CG ASP A 28 12.022 12.627 5.235 1.00 1.34 C ATOM 422 OD1 ASP A 28 13.099 12.143 5.639 1.00 2.00 O ATOM 423 OD2 ASP A 28 11.979 13.594 4.444 1.00 1.66 O ATOM 0 H ASP A 28 12.315 10.165 4.902 1.00 0.72 H new ATOM 0 HA ASP A 28 9.432 10.317 5.356 1.00 0.74 H new ATOM 0 HB2 ASP A 28 9.928 12.762 5.636 1.00 0.86 H new ATOM 0 HB3 ASP A 28 10.808 11.736 6.751 1.00 0.86 H new ATOM 428 N LEU A 29 9.749 10.198 2.594 1.00 0.53 N ATOM 429 CA LEU A 29 9.227 10.460 1.262 1.00 0.47 C ATOM 430 C LEU A 29 7.722 10.667 1.321 1.00 0.48 C ATOM 431 O LEU A 29 7.016 9.980 2.059 1.00 0.51 O ATOM 432 CB LEU A 29 9.569 9.325 0.294 1.00 0.46 C ATOM 433 CG LEU A 29 10.994 9.364 -0.262 1.00 0.48 C ATOM 434 CD1 LEU A 29 11.290 8.120 -1.082 1.00 0.52 C ATOM 435 CD2 LEU A 29 11.180 10.605 -1.115 1.00 0.56 C ATOM 0 H LEU A 29 9.982 9.222 2.777 1.00 0.53 H new ATOM 0 HA LEU A 29 9.699 11.369 0.889 1.00 0.47 H new ATOM 0 HB2 LEU A 29 9.419 8.374 0.804 1.00 0.46 H new ATOM 0 HB3 LEU A 29 8.868 9.354 -0.540 1.00 0.46 H new ATOM 0 HG LEU A 29 11.690 9.394 0.576 1.00 0.48 H new ATOM 0 HD11 LEU A 29 12.309 8.171 -1.466 1.00 0.52 H new ATOM 0 HD12 LEU A 29 11.183 7.236 -0.453 1.00 0.52 H new ATOM 0 HD13 LEU A 29 10.590 8.059 -1.916 1.00 0.52 H new ATOM 0 HD21 LEU A 29 12.196 10.627 -1.508 1.00 0.56 H new ATOM 0 HD22 LEU A 29 10.471 10.587 -1.943 1.00 0.56 H new ATOM 0 HD23 LEU A 29 11.006 11.493 -0.508 1.00 0.56 H new ATOM 447 N ARG A 30 7.244 11.625 0.546 1.00 0.51 N ATOM 448 CA ARG A 30 5.832 11.976 0.539 1.00 0.59 C ATOM 449 C ARG A 30 5.174 11.420 -0.717 1.00 0.60 C ATOM 450 O ARG A 30 4.006 11.691 -1.001 1.00 0.71 O ATOM 451 CB ARG A 30 5.680 13.495 0.570 1.00 0.72 C ATOM 452 CG ARG A 30 6.721 14.181 1.437 1.00 0.94 C ATOM 453 CD ARG A 30 6.890 15.628 1.045 1.00 1.06 C ATOM 454 NE ARG A 30 8.142 16.192 1.540 1.00 2.05 N ATOM 455 CZ ARG A 30 8.781 17.199 0.947 1.00 2.56 C ATOM 456 NH1 ARG A 30 8.237 17.806 -0.100 1.00 2.36 N ATOM 457 NH2 ARG A 30 9.958 17.606 1.403 1.00 3.67 N ATOM 0 H ARG A 30 7.817 12.178 -0.091 1.00 0.51 H new ATOM 0 HA ARG A 30 5.349 11.549 1.418 1.00 0.59 H new ATOM 0 HB2 ARG A 30 5.751 13.882 -0.447 1.00 0.72 H new ATOM 0 HB3 ARG A 30 4.686 13.747 0.939 1.00 0.72 H new ATOM 0 HG2 ARG A 30 6.425 14.117 2.484 1.00 0.94 H new ATOM 0 HG3 ARG A 30 7.675 13.662 1.343 1.00 0.94 H new ATOM 0 HD2 ARG A 30 6.859 15.714 -0.041 1.00 1.06 H new ATOM 0 HD3 ARG A 30 6.053 16.208 1.434 1.00 1.06 H new ATOM 0 HE ARG A 30 8.550 15.793 2.386 1.00 2.05 H new ATOM 0 HH11 ARG A 30 7.329 17.502 -0.451 1.00 2.36 H new ATOM 0 HH12 ARG A 30 8.727 18.577 -0.554 1.00 2.36 H new ATOM 0 HH21 ARG A 30 10.378 17.147 2.211 1.00 3.67 H new ATOM 0 HH22 ARG A 30 10.443 18.378 0.945 1.00 3.67 H new ATOM 471 N GLU A 31 5.942 10.631 -1.453 1.00 0.55 N ATOM 472 CA GLU A 31 5.533 10.133 -2.759 1.00 0.65 C ATOM 473 C GLU A 31 6.038 8.709 -2.947 1.00 0.55 C ATOM 474 O GLU A 31 6.982 8.297 -2.266 1.00 0.49 O ATOM 475 CB GLU A 31 6.097 11.020 -3.872 1.00 0.81 C ATOM 476 CG GLU A 31 5.609 12.459 -3.832 1.00 1.49 C ATOM 477 CD GLU A 31 6.290 13.330 -4.864 1.00 2.12 C ATOM 478 OE1 GLU A 31 5.910 13.261 -6.051 1.00 2.41 O ATOM 479 OE2 GLU A 31 7.209 14.093 -4.497 1.00 2.82 O ATOM 0 H GLU A 31 6.868 10.317 -1.162 1.00 0.55 H new ATOM 0 HA GLU A 31 4.444 10.148 -2.810 1.00 0.65 H new ATOM 0 HB2 GLU A 31 7.185 11.016 -3.808 1.00 0.81 H new ATOM 0 HB3 GLU A 31 5.833 10.586 -4.836 1.00 0.81 H new ATOM 0 HG2 GLU A 31 4.532 12.479 -3.998 1.00 1.49 H new ATOM 0 HG3 GLU A 31 5.786 12.872 -2.839 1.00 1.49 H new ATOM 486 N ASN A 32 5.422 7.985 -3.883 1.00 0.60 N ATOM 487 CA ASN A 32 5.747 6.579 -4.143 1.00 0.61 C ATOM 488 C ASN A 32 5.742 5.796 -2.835 1.00 0.50 C ATOM 489 O ASN A 32 6.751 5.212 -2.422 1.00 0.54 O ATOM 490 CB ASN A 32 7.101 6.445 -4.850 1.00 0.69 C ATOM 491 CG ASN A 32 7.337 5.045 -5.395 1.00 1.23 C ATOM 492 OD1 ASN A 32 6.397 4.332 -5.744 1.00 1.82 O ATOM 493 ND2 ASN A 32 8.596 4.648 -5.483 1.00 2.01 N ATOM 0 H ASN A 32 4.684 8.355 -4.482 1.00 0.60 H new ATOM 0 HA ASN A 32 4.987 6.166 -4.806 1.00 0.61 H new ATOM 0 HB2 ASN A 32 7.153 7.163 -5.668 1.00 0.69 H new ATOM 0 HB3 ASN A 32 7.899 6.699 -4.152 1.00 0.69 H new ATOM 0 HD21 ASN A 32 8.814 3.722 -5.850 1.00 2.01 H new ATOM 0 HD22 ASN A 32 9.348 5.268 -5.183 1.00 2.01 H new ATOM 500 N LEU A 33 4.597 5.831 -2.171 1.00 0.41 N ATOM 501 CA LEU A 33 4.431 5.183 -0.883 1.00 0.32 C ATOM 502 C LEU A 33 3.646 3.893 -1.040 1.00 0.30 C ATOM 503 O LEU A 33 2.748 3.805 -1.872 1.00 0.34 O ATOM 504 CB LEU A 33 3.698 6.111 0.090 1.00 0.31 C ATOM 505 CG LEU A 33 4.371 7.460 0.340 1.00 0.34 C ATOM 506 CD1 LEU A 33 3.351 8.498 0.782 1.00 0.39 C ATOM 507 CD2 LEU A 33 5.455 7.320 1.395 1.00 0.32 C ATOM 0 H LEU A 33 3.761 6.308 -2.509 1.00 0.41 H new ATOM 0 HA LEU A 33 5.420 4.956 -0.484 1.00 0.32 H new ATOM 0 HB2 LEU A 33 2.693 6.290 -0.292 1.00 0.31 H new ATOM 0 HB3 LEU A 33 3.589 5.596 1.044 1.00 0.31 H new ATOM 0 HG LEU A 33 4.823 7.793 -0.594 1.00 0.34 H new ATOM 0 HD11 LEU A 33 3.852 9.450 0.954 1.00 0.39 H new ATOM 0 HD12 LEU A 33 2.596 8.620 0.005 1.00 0.39 H new ATOM 0 HD13 LEU A 33 2.872 8.168 1.704 1.00 0.39 H new ATOM 0 HD21 LEU A 33 5.926 8.288 1.563 1.00 0.32 H new ATOM 0 HD22 LEU A 33 5.013 6.965 2.326 1.00 0.32 H new ATOM 0 HD23 LEU A 33 6.205 6.606 1.054 1.00 0.32 H new ATOM 519 N TRP A 34 3.981 2.901 -0.240 1.00 0.28 N ATOM 520 CA TRP A 34 3.283 1.634 -0.275 1.00 0.28 C ATOM 521 C TRP A 34 2.571 1.368 1.036 1.00 0.27 C ATOM 522 O TRP A 34 3.198 1.114 2.061 1.00 0.31 O ATOM 523 CB TRP A 34 4.237 0.488 -0.606 1.00 0.32 C ATOM 524 CG TRP A 34 4.623 0.439 -2.052 1.00 0.57 C ATOM 525 CD1 TRP A 34 3.775 0.322 -3.114 1.00 1.79 C ATOM 526 CD2 TRP A 34 5.947 0.486 -2.597 1.00 0.53 C ATOM 527 NE1 TRP A 34 4.488 0.309 -4.288 1.00 1.85 N ATOM 528 CE2 TRP A 34 5.823 0.408 -3.998 1.00 0.73 C ATOM 529 CE3 TRP A 34 7.225 0.596 -2.040 1.00 1.77 C ATOM 530 CZ2 TRP A 34 6.926 0.433 -4.847 1.00 0.67 C ATOM 531 CZ3 TRP A 34 8.320 0.618 -2.885 1.00 2.25 C ATOM 532 CH2 TRP A 34 8.165 0.538 -4.275 1.00 1.47 C ATOM 0 H TRP A 34 4.736 2.949 0.445 1.00 0.28 H new ATOM 0 HA TRP A 34 2.535 1.693 -1.065 1.00 0.28 H new ATOM 0 HB2 TRP A 34 5.137 0.587 0.000 1.00 0.32 H new ATOM 0 HB3 TRP A 34 3.769 -0.457 -0.330 1.00 0.32 H new ATOM 0 HD1 TRP A 34 2.700 0.250 -3.042 1.00 1.79 H new ATOM 0 HE1 TRP A 34 4.088 0.237 -5.224 1.00 1.85 H new ATOM 0 HE3 TRP A 34 7.355 0.663 -0.970 1.00 1.77 H new ATOM 0 HZ2 TRP A 34 6.808 0.372 -5.919 1.00 0.67 H new ATOM 0 HZ3 TRP A 34 9.312 0.698 -2.466 1.00 2.25 H new ATOM 0 HH2 TRP A 34 9.040 0.560 -4.908 1.00 1.47 H new ATOM 543 N LEU A 35 1.258 1.449 0.985 1.00 0.25 N ATOM 544 CA LEU A 35 0.412 1.166 2.130 1.00 0.26 C ATOM 545 C LEU A 35 0.097 -0.330 2.163 1.00 0.27 C ATOM 546 O LEU A 35 -0.719 -0.813 1.381 1.00 0.29 O ATOM 547 CB LEU A 35 -0.874 1.995 2.004 1.00 0.28 C ATOM 548 CG LEU A 35 -1.646 2.281 3.297 1.00 0.32 C ATOM 549 CD1 LEU A 35 -2.924 3.024 2.967 1.00 0.36 C ATOM 550 CD2 LEU A 35 -1.963 1.013 4.071 1.00 0.32 C ATOM 0 H LEU A 35 0.743 1.714 0.145 1.00 0.25 H new ATOM 0 HA LEU A 35 0.916 1.432 3.059 1.00 0.26 H new ATOM 0 HB2 LEU A 35 -0.618 2.949 1.544 1.00 0.28 H new ATOM 0 HB3 LEU A 35 -1.544 1.479 1.316 1.00 0.28 H new ATOM 0 HG LEU A 35 -1.011 2.895 3.936 1.00 0.32 H new ATOM 0 HD11 LEU A 35 -3.474 3.228 3.886 1.00 0.36 H new ATOM 0 HD12 LEU A 35 -2.681 3.965 2.473 1.00 0.36 H new ATOM 0 HD13 LEU A 35 -3.538 2.415 2.304 1.00 0.36 H new ATOM 0 HD21 LEU A 35 -2.510 1.268 4.979 1.00 0.32 H new ATOM 0 HD22 LEU A 35 -2.572 0.352 3.454 1.00 0.32 H new ATOM 0 HD23 LEU A 35 -1.035 0.507 4.337 1.00 0.32 H new ATOM 562 N ASN A 36 0.755 -1.053 3.064 1.00 0.28 N ATOM 563 CA ASN A 36 0.583 -2.505 3.173 1.00 0.30 C ATOM 564 C ASN A 36 -0.875 -2.877 3.441 1.00 0.30 C ATOM 565 O ASN A 36 -1.517 -2.315 4.329 1.00 0.35 O ATOM 566 CB ASN A 36 1.473 -3.055 4.292 1.00 0.37 C ATOM 567 CG ASN A 36 1.279 -4.549 4.510 1.00 0.83 C ATOM 568 OD1 ASN A 36 0.998 -5.294 3.581 1.00 1.62 O ATOM 569 ND2 ASN A 36 1.409 -4.998 5.744 1.00 1.44 N ATOM 0 H ASN A 36 1.416 -0.659 3.734 1.00 0.28 H new ATOM 0 HA ASN A 36 0.876 -2.949 2.221 1.00 0.30 H new ATOM 0 HB2 ASN A 36 2.518 -2.859 4.050 1.00 0.37 H new ATOM 0 HB3 ASN A 36 1.255 -2.525 5.219 1.00 0.37 H new ATOM 0 HD21 ASN A 36 1.275 -5.989 5.943 1.00 1.44 H new ATOM 0 HD22 ASN A 36 1.644 -4.354 6.499 1.00 1.44 H new ATOM 576 N LEU A 37 -1.371 -3.855 2.680 1.00 0.28 N ATOM 577 CA LEU A 37 -2.783 -4.247 2.717 1.00 0.31 C ATOM 578 C LEU A 37 -3.150 -4.921 4.030 1.00 0.33 C ATOM 579 O LEU A 37 -4.317 -4.938 4.426 1.00 0.40 O ATOM 580 CB LEU A 37 -3.105 -5.203 1.563 1.00 0.33 C ATOM 581 CG LEU A 37 -3.232 -4.573 0.172 1.00 0.41 C ATOM 582 CD1 LEU A 37 -4.591 -4.896 -0.416 1.00 0.59 C ATOM 583 CD2 LEU A 37 -3.037 -3.068 0.226 1.00 0.54 C ATOM 0 H LEU A 37 -0.809 -4.396 2.023 1.00 0.28 H new ATOM 0 HA LEU A 37 -3.368 -3.333 2.620 1.00 0.31 H new ATOM 0 HB2 LEU A 37 -2.327 -5.965 1.523 1.00 0.33 H new ATOM 0 HB3 LEU A 37 -4.040 -5.714 1.793 1.00 0.33 H new ATOM 0 HG LEU A 37 -2.450 -4.991 -0.462 1.00 0.41 H new ATOM 0 HD11 LEU A 37 -4.676 -4.446 -1.405 1.00 0.59 H new ATOM 0 HD12 LEU A 37 -4.704 -5.977 -0.499 1.00 0.59 H new ATOM 0 HD13 LEU A 37 -5.372 -4.498 0.232 1.00 0.59 H new ATOM 0 HD21 LEU A 37 -3.133 -2.652 -0.777 1.00 0.54 H new ATOM 0 HD22 LEU A 37 -3.792 -2.626 0.876 1.00 0.54 H new ATOM 0 HD23 LEU A 37 -2.045 -2.843 0.618 1.00 0.54 H new ATOM 595 N THR A 38 -2.155 -5.469 4.699 1.00 0.32 N ATOM 596 CA THR A 38 -2.391 -6.275 5.880 1.00 0.37 C ATOM 597 C THR A 38 -2.433 -5.434 7.148 1.00 0.35 C ATOM 598 O THR A 38 -3.491 -5.265 7.753 1.00 0.40 O ATOM 599 CB THR A 38 -1.312 -7.363 6.014 1.00 0.43 C ATOM 600 OG1 THR A 38 -1.414 -8.268 4.912 1.00 0.53 O ATOM 601 CG2 THR A 38 -1.447 -8.126 7.323 1.00 0.48 C ATOM 0 H THR A 38 -1.172 -5.370 4.444 1.00 0.32 H new ATOM 0 HA THR A 38 -3.368 -6.743 5.757 1.00 0.37 H new ATOM 0 HB THR A 38 -0.335 -6.879 6.011 1.00 0.43 H new ATOM 0 HG1 THR A 38 -0.719 -8.955 4.987 1.00 0.53 H new ATOM 0 HG21 THR A 38 -0.668 -8.886 7.383 1.00 0.48 H new ATOM 0 HG22 THR A 38 -1.344 -7.435 8.159 1.00 0.48 H new ATOM 0 HG23 THR A 38 -2.425 -8.605 7.366 1.00 0.48 H new ATOM 609 N ASP A 39 -1.286 -4.902 7.533 1.00 0.34 N ATOM 610 CA ASP A 39 -1.134 -4.270 8.836 1.00 0.36 C ATOM 611 C ASP A 39 -1.046 -2.748 8.719 1.00 0.32 C ATOM 612 O ASP A 39 -0.874 -2.047 9.714 1.00 0.48 O ATOM 613 CB ASP A 39 0.104 -4.839 9.538 1.00 0.45 C ATOM 614 CG ASP A 39 1.366 -4.712 8.697 1.00 0.95 C ATOM 615 OD1 ASP A 39 1.562 -3.663 8.054 1.00 1.44 O ATOM 616 OD2 ASP A 39 2.198 -5.646 8.709 1.00 1.32 O ATOM 0 H ASP A 39 -0.442 -4.894 6.961 1.00 0.34 H new ATOM 0 HA ASP A 39 -2.019 -4.491 9.433 1.00 0.36 H new ATOM 0 HB2 ASP A 39 0.250 -4.320 10.486 1.00 0.45 H new ATOM 0 HB3 ASP A 39 -0.067 -5.890 9.773 1.00 0.45 H new ATOM 621 N GLY A 40 -1.162 -2.249 7.494 1.00 0.28 N ATOM 622 CA GLY A 40 -1.172 -0.814 7.265 1.00 0.27 C ATOM 623 C GLY A 40 0.210 -0.187 7.290 1.00 0.29 C ATOM 624 O GLY A 40 0.335 1.025 7.462 1.00 0.39 O ATOM 0 H GLY A 40 -1.250 -2.815 6.650 1.00 0.28 H new ATOM 0 HA2 GLY A 40 -1.637 -0.611 6.300 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -1.792 -0.337 8.024 1.00 0.27 H new ATOM 628 N SER A 41 1.249 -0.998 7.129 1.00 0.29 N ATOM 629 CA SER A 41 2.608 -0.469 7.057 1.00 0.38 C ATOM 630 C SER A 41 2.783 0.392 5.813 1.00 0.32 C ATOM 631 O SER A 41 2.809 -0.114 4.691 1.00 0.32 O ATOM 632 CB SER A 41 3.642 -1.594 7.050 1.00 0.51 C ATOM 633 OG SER A 41 3.658 -2.290 8.284 1.00 0.93 O ATOM 0 H SER A 41 1.180 -2.012 7.047 1.00 0.29 H new ATOM 0 HA SER A 41 2.768 0.144 7.944 1.00 0.38 H new ATOM 0 HB2 SER A 41 3.419 -2.290 6.241 1.00 0.51 H new ATOM 0 HB3 SER A 41 4.631 -1.180 6.851 1.00 0.51 H new ATOM 0 HG SER A 41 2.758 -2.620 8.485 1.00 0.93 H new ATOM 639 N VAL A 42 2.891 1.691 6.023 1.00 0.32 N ATOM 640 CA VAL A 42 3.117 2.626 4.936 1.00 0.28 C ATOM 641 C VAL A 42 4.609 2.820 4.740 1.00 0.29 C ATOM 642 O VAL A 42 5.312 3.315 5.623 1.00 0.35 O ATOM 643 CB VAL A 42 2.458 4.002 5.184 1.00 0.28 C ATOM 644 CG1 VAL A 42 2.721 4.935 4.007 1.00 0.26 C ATOM 645 CG2 VAL A 42 0.963 3.853 5.417 1.00 0.31 C ATOM 0 H VAL A 42 2.825 2.125 6.944 1.00 0.32 H new ATOM 0 HA VAL A 42 2.658 2.199 4.044 1.00 0.28 H new ATOM 0 HB VAL A 42 2.901 4.435 6.081 1.00 0.28 H new ATOM 0 HG11 VAL A 42 2.251 5.900 4.196 1.00 0.26 H new ATOM 0 HG12 VAL A 42 3.795 5.072 3.885 1.00 0.26 H new ATOM 0 HG13 VAL A 42 2.305 4.500 3.098 1.00 0.26 H new ATOM 0 HG21 VAL A 42 0.522 4.835 5.589 1.00 0.31 H new ATOM 0 HG22 VAL A 42 0.502 3.397 4.541 1.00 0.31 H new ATOM 0 HG23 VAL A 42 0.792 3.221 6.288 1.00 0.31 H new ATOM 655 N LEU A 43 5.088 2.406 3.593 1.00 0.28 N ATOM 656 CA LEU A 43 6.493 2.508 3.271 1.00 0.33 C ATOM 657 C LEU A 43 6.645 3.362 2.030 1.00 0.30 C ATOM 658 O LEU A 43 5.667 3.929 1.563 1.00 0.29 O ATOM 659 CB LEU A 43 7.056 1.104 3.061 1.00 0.44 C ATOM 660 CG LEU A 43 6.843 0.162 4.249 1.00 0.51 C ATOM 661 CD1 LEU A 43 7.337 -1.233 3.921 1.00 0.63 C ATOM 662 CD2 LEU A 43 7.546 0.701 5.486 1.00 0.54 C ATOM 0 H LEU A 43 4.518 1.990 2.857 1.00 0.28 H new ATOM 0 HA LEU A 43 7.049 2.978 4.082 1.00 0.33 H new ATOM 0 HB2 LEU A 43 6.593 0.667 2.177 1.00 0.44 H new ATOM 0 HB3 LEU A 43 8.124 1.179 2.857 1.00 0.44 H new ATOM 0 HG LEU A 43 5.774 0.105 4.456 1.00 0.51 H new ATOM 0 HD11 LEU A 43 7.176 -1.887 4.778 1.00 0.63 H new ATOM 0 HD12 LEU A 43 6.789 -1.620 3.062 1.00 0.63 H new ATOM 0 HD13 LEU A 43 8.401 -1.197 3.687 1.00 0.63 H new ATOM 0 HD21 LEU A 43 7.385 0.020 6.322 1.00 0.54 H new ATOM 0 HD22 LEU A 43 8.615 0.787 5.289 1.00 0.54 H new ATOM 0 HD23 LEU A 43 7.143 1.683 5.735 1.00 0.54 H new ATOM 674 N CYS A 44 7.852 3.497 1.512 1.00 0.40 N ATOM 675 CA CYS A 44 8.021 4.231 0.264 1.00 0.46 C ATOM 676 C CYS A 44 9.035 3.542 -0.633 1.00 0.61 C ATOM 677 O CYS A 44 9.485 2.441 -0.319 1.00 0.71 O ATOM 678 CB CYS A 44 8.380 5.714 0.505 1.00 0.52 C ATOM 679 SG CYS A 44 10.064 6.075 1.063 1.00 0.71 S ATOM 0 H CYS A 44 8.709 3.122 1.919 1.00 0.40 H new ATOM 0 HA CYS A 44 7.061 4.227 -0.252 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.207 6.259 -0.423 1.00 0.52 H new ATOM 0 HB3 CYS A 44 7.686 6.114 1.244 1.00 0.52 H new ATOM 684 N GLY A 45 9.373 4.170 -1.744 1.00 0.68 N ATOM 685 CA GLY A 45 10.291 3.564 -2.684 1.00 0.87 C ATOM 686 C GLY A 45 11.733 3.618 -2.221 1.00 1.23 C ATOM 687 O GLY A 45 12.020 3.777 -1.030 1.00 2.12 O ATOM 0 H GLY A 45 9.028 5.091 -2.014 1.00 0.68 H new ATOM 0 HA2 GLY A 45 10.005 2.524 -2.844 1.00 0.87 H new ATOM 0 HA3 GLY A 45 10.205 4.070 -3.646 1.00 0.87 H new ATOM 691 N LYS A 46 12.642 3.473 -3.167 1.00 1.63 N ATOM 692 CA LYS A 46 14.064 3.544 -2.888 1.00 2.41 C ATOM 693 C LYS A 46 14.813 3.951 -4.147 1.00 2.38 C ATOM 694 O LYS A 46 15.232 3.098 -4.930 1.00 2.93 O ATOM 695 CB LYS A 46 14.597 2.197 -2.398 1.00 3.41 C ATOM 696 CG LYS A 46 16.075 2.232 -2.036 1.00 4.32 C ATOM 697 CD LYS A 46 16.698 0.850 -2.105 1.00 5.11 C ATOM 698 CE LYS A 46 16.625 0.278 -3.517 1.00 5.83 C ATOM 699 NZ LYS A 46 17.246 1.183 -4.522 1.00 6.44 N ATOM 0 H LYS A 46 12.417 3.303 -4.147 1.00 1.63 H new ATOM 0 HA LYS A 46 14.220 4.285 -2.104 1.00 2.41 H new ATOM 0 HB2 LYS A 46 14.024 1.882 -1.526 1.00 3.41 H new ATOM 0 HB3 LYS A 46 14.437 1.447 -3.173 1.00 3.41 H new ATOM 0 HG2 LYS A 46 16.601 2.903 -2.715 1.00 4.32 H new ATOM 0 HG3 LYS A 46 16.195 2.636 -1.031 1.00 4.32 H new ATOM 0 HD2 LYS A 46 17.739 0.902 -1.785 1.00 5.11 H new ATOM 0 HD3 LYS A 46 16.184 0.182 -1.413 1.00 5.11 H new ATOM 0 HE2 LYS A 46 17.127 -0.689 -3.542 1.00 5.83 H new ATOM 0 HE3 LYS A 46 15.583 0.103 -3.783 1.00 5.83 H new ATOM 0 HZ1 LYS A 46 17.467 0.645 -5.384 1.00 6.44 H new ATOM 0 HZ2 LYS A 46 16.584 1.951 -4.753 1.00 6.44 H new ATOM 0 HZ3 LYS A 46 18.122 1.586 -4.132 1.00 6.44 H new ATOM 713 N TRP A 47 14.962 5.246 -4.352 1.00 2.40 N ATOM 714 CA TRP A 47 15.689 5.743 -5.509 1.00 2.90 C ATOM 715 C TRP A 47 17.180 5.657 -5.228 1.00 3.16 C ATOM 716 O TRP A 47 17.860 4.728 -5.663 1.00 3.82 O ATOM 717 CB TRP A 47 15.291 7.192 -5.815 1.00 3.59 C ATOM 718 CG TRP A 47 13.811 7.433 -5.741 1.00 3.94 C ATOM 719 CD1 TRP A 47 13.136 8.057 -4.732 1.00 4.43 C ATOM 720 CD2 TRP A 47 12.825 7.052 -6.707 1.00 4.46 C ATOM 721 NE1 TRP A 47 11.792 8.092 -5.013 1.00 5.12 N ATOM 722 CE2 TRP A 47 11.576 7.481 -6.218 1.00 5.13 C ATOM 723 CE3 TRP A 47 12.876 6.391 -7.938 1.00 4.85 C ATOM 724 CZ2 TRP A 47 10.393 7.273 -6.918 1.00 6.00 C ATOM 725 CZ3 TRP A 47 11.698 6.183 -8.630 1.00 5.76 C ATOM 726 CH2 TRP A 47 10.472 6.623 -8.119 1.00 6.25 C ATOM 0 H TRP A 47 14.592 5.971 -3.737 1.00 2.40 H new ATOM 0 HA TRP A 47 15.442 5.134 -6.379 1.00 2.90 H new ATOM 0 HB2 TRP A 47 15.795 7.855 -5.112 1.00 3.59 H new ATOM 0 HB3 TRP A 47 15.645 7.455 -6.812 1.00 3.59 H new ATOM 0 HD1 TRP A 47 13.592 8.464 -3.842 1.00 4.43 H new ATOM 0 HE1 TRP A 47 11.072 8.506 -4.420 1.00 5.12 H new ATOM 0 HE3 TRP A 47 13.818 6.049 -8.340 1.00 4.85 H new ATOM 0 HZ2 TRP A 47 9.445 7.613 -6.527 1.00 6.00 H new ATOM 0 HZ3 TRP A 47 11.724 5.672 -9.581 1.00 5.76 H new ATOM 0 HH2 TRP A 47 9.569 6.446 -8.685 1.00 6.25 H new ATOM 737 N PHE A 48 17.666 6.624 -4.467 1.00 3.23 N ATOM 738 CA PHE A 48 19.037 6.643 -3.992 1.00 3.94 C ATOM 739 C PHE A 48 19.047 7.248 -2.600 1.00 3.98 C ATOM 740 O PHE A 48 18.164 8.034 -2.257 1.00 4.37 O ATOM 741 CB PHE A 48 19.932 7.477 -4.921 1.00 4.71 C ATOM 742 CG PHE A 48 20.035 6.953 -6.329 1.00 5.10 C ATOM 743 CD1 PHE A 48 20.897 5.913 -6.633 1.00 5.41 C ATOM 744 CD2 PHE A 48 19.268 7.503 -7.346 1.00 5.51 C ATOM 745 CE1 PHE A 48 20.995 5.429 -7.923 1.00 6.04 C ATOM 746 CE2 PHE A 48 19.363 7.023 -8.638 1.00 6.19 C ATOM 747 CZ PHE A 48 20.228 5.985 -8.926 1.00 6.43 C ATOM 0 H PHE A 48 17.114 7.425 -4.160 1.00 3.23 H new ATOM 0 HA PHE A 48 19.427 5.625 -3.976 1.00 3.94 H new ATOM 0 HB2 PHE A 48 19.549 8.497 -4.954 1.00 4.71 H new ATOM 0 HB3 PHE A 48 20.933 7.526 -4.492 1.00 4.71 H new ATOM 0 HD1 PHE A 48 21.500 5.475 -5.852 1.00 5.41 H new ATOM 0 HD2 PHE A 48 18.590 8.314 -7.125 1.00 5.51 H new ATOM 0 HE1 PHE A 48 21.671 4.617 -8.146 1.00 6.04 H new ATOM 0 HE2 PHE A 48 18.762 7.459 -9.422 1.00 6.19 H new ATOM 0 HZ PHE A 48 20.304 5.609 -9.936 1.00 6.43 H new ATOM 757 N PHE A 49 20.037 6.897 -1.798 1.00 4.01 N ATOM 758 CA PHE A 49 20.153 7.454 -0.458 1.00 4.29 C ATOM 759 C PHE A 49 20.836 8.815 -0.547 1.00 4.03 C ATOM 760 O PHE A 49 20.958 9.544 0.436 1.00 4.43 O ATOM 761 CB PHE A 49 20.937 6.508 0.459 1.00 5.23 C ATOM 762 CG PHE A 49 20.812 6.840 1.921 1.00 5.92 C ATOM 763 CD1 PHE A 49 19.609 6.672 2.587 1.00 6.27 C ATOM 764 CD2 PHE A 49 21.902 7.324 2.627 1.00 6.52 C ATOM 765 CE1 PHE A 49 19.495 6.980 3.930 1.00 7.24 C ATOM 766 CE2 PHE A 49 21.793 7.635 3.969 1.00 7.39 C ATOM 767 CZ PHE A 49 20.572 7.447 4.625 1.00 7.76 C ATOM 0 H PHE A 49 20.770 6.233 -2.048 1.00 4.01 H new ATOM 0 HA PHE A 49 19.159 7.575 -0.028 1.00 4.29 H new ATOM 0 HB2 PHE A 49 20.589 5.488 0.296 1.00 5.23 H new ATOM 0 HB3 PHE A 49 21.990 6.534 0.178 1.00 5.23 H new ATOM 0 HD1 PHE A 49 18.750 6.296 2.051 1.00 6.27 H new ATOM 0 HD2 PHE A 49 22.847 7.460 2.123 1.00 6.52 H new ATOM 0 HE1 PHE A 49 18.548 6.850 4.432 1.00 7.24 H new ATOM 0 HE2 PHE A 49 22.646 8.021 4.508 1.00 7.39 H new ATOM 0 HZ PHE A 49 20.482 7.671 5.678 1.00 7.76 H new ATOM 777 N ASP A 50 21.288 9.136 -1.752 1.00 3.84 N ATOM 778 CA ASP A 50 21.888 10.430 -2.040 1.00 4.03 C ATOM 779 C ASP A 50 21.014 11.201 -3.024 1.00 3.49 C ATOM 780 O ASP A 50 21.442 12.199 -3.605 1.00 3.96 O ATOM 781 CB ASP A 50 23.295 10.249 -2.625 1.00 4.77 C ATOM 782 CG ASP A 50 24.223 9.495 -1.693 1.00 5.24 C ATOM 783 OD1 ASP A 50 24.829 10.128 -0.803 1.00 5.52 O ATOM 784 OD2 ASP A 50 24.361 8.267 -1.855 1.00 5.68 O ATOM 0 H ASP A 50 21.249 8.508 -2.555 1.00 3.84 H new ATOM 0 HA ASP A 50 21.965 10.993 -1.110 1.00 4.03 H new ATOM 0 HB2 ASP A 50 23.224 9.714 -3.572 1.00 4.77 H new ATOM 0 HB3 ASP A 50 23.722 11.228 -2.843 1.00 4.77 H new ATOM 789 N SER A 51 19.786 10.722 -3.220 1.00 2.95 N ATOM 790 CA SER A 51 18.852 11.343 -4.155 1.00 2.87 C ATOM 791 C SER A 51 17.409 11.036 -3.763 1.00 2.57 C ATOM 792 O SER A 51 16.942 9.909 -3.931 1.00 3.12 O ATOM 793 CB SER A 51 19.121 10.849 -5.578 1.00 3.44 C ATOM 794 OG SER A 51 20.459 11.113 -5.968 1.00 4.15 O ATOM 0 H SER A 51 19.415 9.902 -2.741 1.00 2.95 H new ATOM 0 HA SER A 51 19.000 12.422 -4.118 1.00 2.87 H new ATOM 0 HB2 SER A 51 18.927 9.778 -5.637 1.00 3.44 H new ATOM 0 HB3 SER A 51 18.435 11.336 -6.271 1.00 3.44 H new ATOM 0 HG SER A 51 20.604 10.786 -6.880 1.00 4.15 H new ATOM 800 N SER A 52 16.726 12.049 -3.225 1.00 2.29 N ATOM 801 CA SER A 52 15.328 11.946 -2.797 1.00 2.37 C ATOM 802 C SER A 52 15.191 11.130 -1.510 1.00 1.79 C ATOM 803 O SER A 52 14.684 11.628 -0.503 1.00 2.13 O ATOM 804 CB SER A 52 14.447 11.360 -3.907 1.00 3.06 C ATOM 805 OG SER A 52 14.484 12.168 -5.075 1.00 3.81 O ATOM 0 H SER A 52 17.131 12.973 -3.073 1.00 2.29 H new ATOM 0 HA SER A 52 14.981 12.958 -2.588 1.00 2.37 H new ATOM 0 HB2 SER A 52 14.785 10.352 -4.148 1.00 3.06 H new ATOM 0 HB3 SER A 52 13.420 11.276 -3.553 1.00 3.06 H new ATOM 0 HG SER A 52 13.915 11.770 -5.766 1.00 3.81 H new ATOM 811 N GLY A 53 15.648 9.887 -1.542 1.00 1.40 N ATOM 812 CA GLY A 53 15.586 9.044 -0.371 1.00 1.25 C ATOM 813 C GLY A 53 14.984 7.684 -0.662 1.00 1.07 C ATOM 814 O GLY A 53 14.844 7.285 -1.822 1.00 1.28 O ATOM 0 H GLY A 53 16.062 9.447 -2.364 1.00 1.40 H new ATOM 0 HA2 GLY A 53 16.590 8.914 0.032 1.00 1.25 H new ATOM 0 HA3 GLY A 53 14.996 9.541 0.399 1.00 1.25 H new ATOM 818 N GLY A 54 14.634 6.974 0.397 1.00 0.86 N ATOM 819 CA GLY A 54 14.048 5.657 0.262 1.00 0.86 C ATOM 820 C GLY A 54 14.894 4.603 0.952 1.00 0.91 C ATOM 821 O GLY A 54 15.958 4.916 1.486 1.00 1.55 O ATOM 0 H GLY A 54 14.747 7.291 1.360 1.00 0.86 H new ATOM 0 HA2 GLY A 54 13.045 5.658 0.689 1.00 0.86 H new ATOM 0 HA3 GLY A 54 13.945 5.409 -0.794 1.00 0.86 H new ATOM 825 N ASN A 55 14.435 3.357 0.937 1.00 0.89 N ATOM 826 CA ASN A 55 15.060 2.297 1.731 1.00 0.87 C ATOM 827 C ASN A 55 14.511 0.933 1.296 1.00 1.01 C ATOM 828 O ASN A 55 13.609 0.868 0.463 1.00 1.21 O ATOM 829 CB ASN A 55 14.787 2.575 3.225 1.00 0.83 C ATOM 830 CG ASN A 55 15.358 1.532 4.168 1.00 1.45 C ATOM 831 OD1 ASN A 55 14.662 0.604 4.576 1.00 2.39 O ATOM 832 ND2 ASN A 55 16.627 1.666 4.507 1.00 1.63 N ATOM 0 H ASN A 55 13.633 3.053 0.385 1.00 0.89 H new ATOM 0 HA ASN A 55 16.138 2.281 1.572 1.00 0.87 H new ATOM 0 HB2 ASN A 55 15.203 3.549 3.484 1.00 0.83 H new ATOM 0 HB3 ASN A 55 13.710 2.638 3.380 1.00 0.83 H new ATOM 0 HD21 ASN A 55 17.063 0.985 5.129 1.00 1.63 H new ATOM 0 HD22 ASN A 55 17.171 2.450 4.147 1.00 1.63 H new ATOM 839 N GLY A 56 15.044 -0.149 1.851 1.00 1.23 N ATOM 840 CA GLY A 56 14.600 -1.482 1.475 1.00 1.44 C ATOM 841 C GLY A 56 13.467 -2.004 2.348 1.00 1.14 C ATOM 842 O GLY A 56 13.203 -3.199 2.361 1.00 1.07 O ATOM 0 H GLY A 56 15.779 -0.129 2.558 1.00 1.23 H new ATOM 0 HA2 GLY A 56 14.273 -1.469 0.435 1.00 1.44 H new ATOM 0 HA3 GLY A 56 15.443 -2.170 1.536 1.00 1.44 H new ATOM 846 N HIS A 57 12.805 -1.095 3.066 1.00 1.06 N ATOM 847 CA HIS A 57 11.662 -1.421 3.946 1.00 0.77 C ATOM 848 C HIS A 57 10.637 -2.365 3.317 1.00 0.66 C ATOM 849 O HIS A 57 10.027 -3.150 4.028 1.00 0.55 O ATOM 850 CB HIS A 57 10.936 -0.148 4.435 1.00 0.68 C ATOM 851 CG HIS A 57 10.858 0.980 3.465 1.00 0.72 C ATOM 852 ND1 HIS A 57 11.620 1.118 2.328 1.00 1.73 N ATOM 853 CD2 HIS A 57 10.130 2.097 3.553 1.00 0.82 C ATOM 854 CE1 HIS A 57 11.344 2.307 1.795 1.00 1.92 C ATOM 855 NE2 HIS A 57 10.444 2.932 2.506 1.00 1.19 N ATOM 0 H HIS A 57 13.042 -0.103 3.059 1.00 1.06 H new ATOM 0 HA HIS A 57 12.112 -1.944 4.790 1.00 0.77 H new ATOM 0 HB2 HIS A 57 9.921 -0.422 4.724 1.00 0.68 H new ATOM 0 HB3 HIS A 57 11.438 0.208 5.335 1.00 0.68 H new ATOM 0 HD1 HIS A 57 12.279 0.432 1.959 1.00 1.73 H new ATOM 0 HD2 HIS A 57 9.407 2.311 4.326 1.00 0.82 H new ATOM 0 HE1 HIS A 57 11.801 2.700 0.899 1.00 1.92 H new ATOM 863 N ALA A 58 10.424 -2.287 2.011 1.00 0.78 N ATOM 864 CA ALA A 58 9.478 -3.191 1.362 1.00 0.75 C ATOM 865 C ALA A 58 9.982 -4.627 1.448 1.00 0.66 C ATOM 866 O ALA A 58 9.247 -5.537 1.834 1.00 0.54 O ATOM 867 CB ALA A 58 9.253 -2.782 -0.086 1.00 0.97 C ATOM 0 H ALA A 58 10.882 -1.622 1.388 1.00 0.78 H new ATOM 0 HA ALA A 58 8.522 -3.128 1.881 1.00 0.75 H new ATOM 0 HB1 ALA A 58 8.545 -3.468 -0.552 1.00 0.97 H new ATOM 0 HB2 ALA A 58 8.853 -1.769 -0.120 1.00 0.97 H new ATOM 0 HB3 ALA A 58 10.200 -2.816 -0.625 1.00 0.97 H new ATOM 873 N LEU A 59 11.253 -4.806 1.113 1.00 0.78 N ATOM 874 CA LEU A 59 11.915 -6.096 1.229 1.00 0.79 C ATOM 875 C LEU A 59 12.021 -6.496 2.694 1.00 0.66 C ATOM 876 O LEU A 59 11.721 -7.627 3.069 1.00 0.63 O ATOM 877 CB LEU A 59 13.310 -6.012 0.614 1.00 0.98 C ATOM 878 CG LEU A 59 14.138 -7.295 0.686 1.00 1.75 C ATOM 879 CD1 LEU A 59 13.435 -8.432 -0.039 1.00 2.28 C ATOM 880 CD2 LEU A 59 15.522 -7.056 0.103 1.00 2.31 C ATOM 0 H LEU A 59 11.852 -4.062 0.754 1.00 0.78 H new ATOM 0 HA LEU A 59 11.331 -6.847 0.698 1.00 0.79 H new ATOM 0 HB2 LEU A 59 13.210 -5.723 -0.432 1.00 0.98 H new ATOM 0 HB3 LEU A 59 13.861 -5.216 1.114 1.00 0.98 H new ATOM 0 HG LEU A 59 14.246 -7.582 1.732 1.00 1.75 H new ATOM 0 HD11 LEU A 59 14.042 -9.335 0.025 1.00 2.28 H new ATOM 0 HD12 LEU A 59 12.465 -8.614 0.423 1.00 2.28 H new ATOM 0 HD13 LEU A 59 13.293 -8.164 -1.086 1.00 2.28 H new ATOM 0 HD21 LEU A 59 16.104 -7.976 0.159 1.00 2.31 H new ATOM 0 HD22 LEU A 59 15.430 -6.748 -0.938 1.00 2.31 H new ATOM 0 HD23 LEU A 59 16.025 -6.273 0.670 1.00 2.31 H new ATOM 892 N GLU A 60 12.453 -5.544 3.509 1.00 0.66 N ATOM 893 CA GLU A 60 12.541 -5.731 4.957 1.00 0.65 C ATOM 894 C GLU A 60 11.203 -6.190 5.532 1.00 0.51 C ATOM 895 O GLU A 60 11.153 -7.073 6.382 1.00 0.57 O ATOM 896 CB GLU A 60 12.971 -4.434 5.646 1.00 0.76 C ATOM 897 CG GLU A 60 14.304 -3.885 5.158 1.00 0.99 C ATOM 898 CD GLU A 60 15.453 -4.843 5.376 1.00 1.98 C ATOM 899 OE1 GLU A 60 16.016 -4.863 6.486 1.00 2.64 O ATOM 900 OE2 GLU A 60 15.794 -5.590 4.437 1.00 2.58 O ATOM 0 H GLU A 60 12.752 -4.622 3.190 1.00 0.66 H new ATOM 0 HA GLU A 60 13.289 -6.501 5.143 1.00 0.65 H new ATOM 0 HB2 GLU A 60 12.200 -3.679 5.490 1.00 0.76 H new ATOM 0 HB3 GLU A 60 13.033 -4.609 6.720 1.00 0.76 H new ATOM 0 HG2 GLU A 60 14.228 -3.653 4.096 1.00 0.99 H new ATOM 0 HG3 GLU A 60 14.516 -2.949 5.674 1.00 0.99 H new ATOM 907 N HIS A 61 10.116 -5.593 5.053 1.00 0.43 N ATOM 908 CA HIS A 61 8.781 -5.931 5.530 1.00 0.41 C ATOM 909 C HIS A 61 8.401 -7.341 5.105 1.00 0.38 C ATOM 910 O HIS A 61 7.694 -8.049 5.827 1.00 0.40 O ATOM 911 CB HIS A 61 7.743 -4.928 5.015 1.00 0.57 C ATOM 912 CG HIS A 61 6.418 -5.057 5.698 1.00 0.94 C ATOM 913 ND1 HIS A 61 6.255 -4.819 7.044 1.00 1.54 N ATOM 914 CD2 HIS A 61 5.201 -5.419 5.230 1.00 1.45 C ATOM 915 CE1 HIS A 61 4.998 -5.024 7.377 1.00 1.72 C ATOM 916 NE2 HIS A 61 4.334 -5.389 6.296 1.00 1.60 N ATOM 0 H HIS A 61 10.135 -4.871 4.333 1.00 0.43 H new ATOM 0 HA HIS A 61 8.794 -5.884 6.619 1.00 0.41 H new ATOM 0 HB2 HIS A 61 8.122 -3.916 5.157 1.00 0.57 H new ATOM 0 HB3 HIS A 61 7.609 -5.071 3.943 1.00 0.57 H new ATOM 0 HD1 HIS A 61 6.994 -4.529 7.684 1.00 1.54 H new ATOM 0 HD2 HIS A 61 4.957 -5.682 4.211 1.00 1.45 H new ATOM 0 HE1 HIS A 61 4.581 -4.912 8.367 1.00 1.72 H new ATOM 925 N TYR A 62 8.870 -7.741 3.933 1.00 0.44 N ATOM 926 CA TYR A 62 8.670 -9.095 3.446 1.00 0.54 C ATOM 927 C TYR A 62 9.473 -10.071 4.304 1.00 0.59 C ATOM 928 O TYR A 62 9.114 -11.240 4.446 1.00 0.67 O ATOM 929 CB TYR A 62 9.080 -9.188 1.972 1.00 0.69 C ATOM 930 CG TYR A 62 8.917 -10.564 1.368 1.00 0.97 C ATOM 931 CD1 TYR A 62 7.655 -11.083 1.117 1.00 1.08 C ATOM 932 CD2 TYR A 62 10.022 -11.345 1.050 1.00 1.39 C ATOM 933 CE1 TYR A 62 7.496 -12.338 0.568 1.00 1.55 C ATOM 934 CE2 TYR A 62 9.871 -12.603 0.499 1.00 1.89 C ATOM 935 CZ TYR A 62 8.626 -13.096 0.256 1.00 1.97 C ATOM 936 OH TYR A 62 8.450 -14.349 -0.290 1.00 2.50 O ATOM 0 H TYR A 62 9.396 -7.141 3.298 1.00 0.44 H new ATOM 0 HA TYR A 62 7.615 -9.358 3.519 1.00 0.54 H new ATOM 0 HB2 TYR A 62 8.486 -8.478 1.396 1.00 0.69 H new ATOM 0 HB3 TYR A 62 10.122 -8.883 1.877 1.00 0.69 H new ATOM 0 HD1 TYR A 62 6.782 -10.494 1.356 1.00 1.08 H new ATOM 0 HD2 TYR A 62 11.015 -10.962 1.237 1.00 1.39 H new ATOM 0 HE1 TYR A 62 6.507 -12.730 0.381 1.00 1.55 H new ATOM 0 HE2 TYR A 62 10.742 -13.196 0.261 1.00 1.89 H new ATOM 0 HH TYR A 62 9.324 -14.759 -0.456 1.00 2.50 H new ATOM 946 N ARG A 63 10.550 -9.568 4.886 1.00 0.60 N ATOM 947 CA ARG A 63 11.371 -10.349 5.796 1.00 0.73 C ATOM 948 C ARG A 63 10.733 -10.411 7.182 1.00 0.75 C ATOM 949 O ARG A 63 10.708 -11.464 7.813 1.00 0.87 O ATOM 950 CB ARG A 63 12.772 -9.758 5.876 1.00 0.80 C ATOM 951 CG ARG A 63 13.552 -9.947 4.594 1.00 1.19 C ATOM 952 CD ARG A 63 14.884 -9.227 4.643 1.00 1.33 C ATOM 953 NE ARG A 63 15.683 -9.487 3.447 1.00 1.71 N ATOM 954 CZ ARG A 63 16.827 -8.871 3.152 1.00 2.01 C ATOM 955 NH1 ARG A 63 17.274 -7.881 3.912 1.00 1.88 N ATOM 956 NH2 ARG A 63 17.511 -9.229 2.073 1.00 2.76 N ATOM 0 H ARG A 63 10.878 -8.613 4.742 1.00 0.60 H new ATOM 0 HA ARG A 63 11.443 -11.367 5.412 1.00 0.73 H new ATOM 0 HB2 ARG A 63 12.702 -8.694 6.102 1.00 0.80 H new ATOM 0 HB3 ARG A 63 13.313 -10.224 6.699 1.00 0.80 H new ATOM 0 HG2 ARG A 63 13.718 -11.010 4.421 1.00 1.19 H new ATOM 0 HG3 ARG A 63 12.967 -9.575 3.753 1.00 1.19 H new ATOM 0 HD2 ARG A 63 14.715 -8.155 4.742 1.00 1.33 H new ATOM 0 HD3 ARG A 63 15.437 -9.545 5.527 1.00 1.33 H new ATOM 0 HE ARG A 63 15.341 -10.190 2.792 1.00 1.71 H new ATOM 0 HH11 ARG A 63 16.741 -7.585 4.730 1.00 1.88 H new ATOM 0 HH12 ARG A 63 18.151 -7.415 3.679 1.00 1.88 H new ATOM 0 HH21 ARG A 63 17.161 -9.974 1.471 1.00 2.76 H new ATOM 0 HH22 ARG A 63 18.387 -8.759 1.845 1.00 2.76 H new ATOM 970 N ASP A 64 10.207 -9.277 7.646 1.00 0.68 N ATOM 971 CA ASP A 64 9.546 -9.217 8.950 1.00 0.75 C ATOM 972 C ASP A 64 8.275 -10.053 8.966 1.00 0.75 C ATOM 973 O ASP A 64 8.162 -11.013 9.727 1.00 0.89 O ATOM 974 CB ASP A 64 9.180 -7.775 9.316 1.00 0.75 C ATOM 975 CG ASP A 64 10.360 -6.945 9.780 1.00 1.18 C ATOM 976 OD1 ASP A 64 10.951 -7.275 10.831 1.00 1.43 O ATOM 977 OD2 ASP A 64 10.712 -5.974 9.086 1.00 1.85 O ATOM 0 H ASP A 64 10.225 -8.391 7.141 1.00 0.68 H new ATOM 0 HA ASP A 64 10.253 -9.615 9.678 1.00 0.75 H new ATOM 0 HB2 ASP A 64 8.727 -7.294 8.449 1.00 0.75 H new ATOM 0 HB3 ASP A 64 8.426 -7.790 10.103 1.00 0.75 H new ATOM 982 N MET A 65 7.328 -9.699 8.105 1.00 0.63 N ATOM 983 CA MET A 65 6.024 -10.359 8.081 1.00 0.67 C ATOM 984 C MET A 65 5.824 -11.103 6.772 1.00 0.65 C ATOM 985 O MET A 65 5.307 -12.218 6.741 1.00 0.80 O ATOM 986 CB MET A 65 4.896 -9.335 8.233 1.00 0.68 C ATOM 987 CG MET A 65 5.017 -8.430 9.456 1.00 0.75 C ATOM 988 SD MET A 65 4.300 -9.135 10.961 1.00 1.35 S ATOM 989 CE MET A 65 5.473 -10.428 11.364 1.00 1.84 C ATOM 0 H MET A 65 7.437 -8.958 7.413 1.00 0.63 H new ATOM 0 HA MET A 65 5.998 -11.062 8.913 1.00 0.67 H new ATOM 0 HB2 MET A 65 4.866 -8.712 7.339 1.00 0.68 H new ATOM 0 HB3 MET A 65 3.946 -9.866 8.284 1.00 0.68 H new ATOM 0 HG2 MET A 65 6.071 -8.214 9.634 1.00 0.75 H new ATOM 0 HG3 MET A 65 4.528 -7.479 9.243 1.00 0.75 H new ATOM 0 HE1 MET A 65 5.382 -10.686 12.419 1.00 1.84 H new ATOM 0 HE2 MET A 65 5.267 -11.309 10.756 1.00 1.84 H new ATOM 0 HE3 MET A 65 6.485 -10.077 11.163 1.00 1.84 H new ATOM 999 N GLY A 66 6.238 -10.462 5.694 1.00 0.56 N ATOM 1000 CA GLY A 66 5.971 -10.970 4.376 1.00 0.64 C ATOM 1001 C GLY A 66 4.970 -10.092 3.669 1.00 0.70 C ATOM 1002 O GLY A 66 5.321 -9.006 3.209 1.00 1.36 O ATOM 0 H GLY A 66 6.761 -9.587 5.714 1.00 0.56 H new ATOM 0 HA2 GLY A 66 6.896 -11.014 3.801 1.00 0.64 H new ATOM 0 HA3 GLY A 66 5.589 -11.989 4.442 1.00 0.64 H new ATOM 1006 N TYR A 67 3.723 -10.555 3.652 1.00 0.55 N ATOM 1007 CA TYR A 67 2.585 -9.857 3.031 1.00 0.49 C ATOM 1008 C TYR A 67 2.978 -8.983 1.836 1.00 0.53 C ATOM 1009 O TYR A 67 3.081 -7.760 1.946 1.00 0.82 O ATOM 1010 CB TYR A 67 1.841 -9.044 4.090 1.00 0.64 C ATOM 1011 CG TYR A 67 1.299 -9.914 5.201 1.00 1.61 C ATOM 1012 CD1 TYR A 67 0.317 -10.864 4.959 1.00 2.31 C ATOM 1013 CD2 TYR A 67 1.757 -9.759 6.504 1.00 2.04 C ATOM 1014 CE1 TYR A 67 -0.193 -11.639 5.985 1.00 3.28 C ATOM 1015 CE2 TYR A 67 1.256 -10.530 7.532 1.00 2.98 C ATOM 1016 CZ TYR A 67 0.325 -11.559 7.220 1.00 3.57 C ATOM 1017 OH TYR A 67 -0.226 -12.225 8.298 1.00 4.55 O ATOM 0 H TYR A 67 3.463 -11.445 4.077 1.00 0.55 H new ATOM 0 HA TYR A 67 1.924 -10.622 2.624 1.00 0.49 H new ATOM 0 HB2 TYR A 67 2.514 -8.297 4.511 1.00 0.64 H new ATOM 0 HB3 TYR A 67 1.019 -8.504 3.620 1.00 0.64 H new ATOM 0 HD1 TYR A 67 -0.055 -11.000 3.954 1.00 2.31 H new ATOM 0 HD2 TYR A 67 2.518 -9.022 6.715 1.00 2.04 H new ATOM 0 HE1 TYR A 67 -1.014 -12.313 5.791 1.00 3.28 H new ATOM 0 HE2 TYR A 67 1.564 -10.356 8.552 1.00 2.98 H new ATOM 0 HH TYR A 67 0.300 -12.036 9.103 1.00 4.55 H new ATOM 1027 N PRO A 68 3.184 -9.615 0.669 1.00 0.46 N ATOM 1028 CA PRO A 68 3.628 -8.939 -0.558 1.00 0.59 C ATOM 1029 C PRO A 68 2.515 -8.160 -1.263 1.00 0.49 C ATOM 1030 O PRO A 68 2.300 -8.329 -2.469 1.00 0.64 O ATOM 1031 CB PRO A 68 4.094 -10.102 -1.453 1.00 0.80 C ATOM 1032 CG PRO A 68 4.051 -11.325 -0.596 1.00 0.88 C ATOM 1033 CD PRO A 68 3.018 -11.053 0.450 1.00 0.59 C ATOM 0 HA PRO A 68 4.394 -8.195 -0.340 1.00 0.59 H new ATOM 0 HB2 PRO A 68 3.444 -10.211 -2.321 1.00 0.80 H new ATOM 0 HB3 PRO A 68 5.101 -9.925 -1.830 1.00 0.80 H new ATOM 0 HG2 PRO A 68 3.790 -12.205 -1.184 1.00 0.88 H new ATOM 0 HG3 PRO A 68 5.023 -11.520 -0.144 1.00 0.88 H new ATOM 0 HD2 PRO A 68 2.014 -11.301 0.107 1.00 0.59 H new ATOM 0 HD3 PRO A 68 3.195 -11.628 1.359 1.00 0.59 H new ATOM 1041 N LEU A 69 1.824 -7.298 -0.527 1.00 0.34 N ATOM 1042 CA LEU A 69 0.687 -6.555 -1.068 1.00 0.28 C ATOM 1043 C LEU A 69 0.615 -5.160 -0.463 1.00 0.24 C ATOM 1044 O LEU A 69 0.593 -5.008 0.757 1.00 0.27 O ATOM 1045 CB LEU A 69 -0.606 -7.309 -0.771 1.00 0.34 C ATOM 1046 CG LEU A 69 -0.705 -8.684 -1.421 1.00 0.43 C ATOM 1047 CD1 LEU A 69 -1.458 -9.631 -0.512 1.00 0.61 C ATOM 1048 CD2 LEU A 69 -1.386 -8.585 -2.776 1.00 0.43 C ATOM 0 H LEU A 69 2.031 -7.094 0.451 1.00 0.34 H new ATOM 0 HA LEU A 69 0.818 -6.459 -2.146 1.00 0.28 H new ATOM 0 HB2 LEU A 69 -0.703 -7.425 0.308 1.00 0.34 H new ATOM 0 HB3 LEU A 69 -1.449 -6.703 -1.104 1.00 0.34 H new ATOM 0 HG LEU A 69 0.301 -9.074 -1.576 1.00 0.43 H new ATOM 0 HD11 LEU A 69 -1.525 -10.612 -0.983 1.00 0.61 H new ATOM 0 HD12 LEU A 69 -0.931 -9.720 0.438 1.00 0.61 H new ATOM 0 HD13 LEU A 69 -2.462 -9.244 -0.335 1.00 0.61 H new ATOM 0 HD21 LEU A 69 -1.448 -9.576 -3.225 1.00 0.43 H new ATOM 0 HD22 LEU A 69 -2.390 -8.180 -2.650 1.00 0.43 H new ATOM 0 HD23 LEU A 69 -0.809 -7.927 -3.426 1.00 0.43 H new ATOM 1060 N ALA A 70 0.563 -4.143 -1.313 1.00 0.22 N ATOM 1061 CA ALA A 70 0.550 -2.763 -0.835 1.00 0.24 C ATOM 1062 C ALA A 70 -0.097 -1.819 -1.844 1.00 0.27 C ATOM 1063 O ALA A 70 -0.023 -2.037 -3.050 1.00 0.32 O ATOM 1064 CB ALA A 70 1.969 -2.307 -0.532 1.00 0.27 C ATOM 0 H ALA A 70 0.529 -4.243 -2.327 1.00 0.22 H new ATOM 0 HA ALA A 70 -0.048 -2.733 0.076 1.00 0.24 H new ATOM 0 HB1 ALA A 70 1.952 -1.277 -0.176 1.00 0.27 H new ATOM 0 HB2 ALA A 70 2.401 -2.949 0.235 1.00 0.27 H new ATOM 0 HB3 ALA A 70 2.572 -2.368 -1.438 1.00 0.27 H new ATOM 1070 N VAL A 71 -0.740 -0.773 -1.339 1.00 0.26 N ATOM 1071 CA VAL A 71 -1.315 0.266 -2.183 1.00 0.29 C ATOM 1072 C VAL A 71 -0.274 1.335 -2.477 1.00 0.30 C ATOM 1073 O VAL A 71 0.298 1.914 -1.553 1.00 0.29 O ATOM 1074 CB VAL A 71 -2.538 0.944 -1.517 1.00 0.31 C ATOM 1075 CG1 VAL A 71 -3.085 2.061 -2.395 1.00 0.36 C ATOM 1076 CG2 VAL A 71 -3.629 -0.069 -1.222 1.00 0.32 C ATOM 0 H VAL A 71 -0.877 -0.622 -0.340 1.00 0.26 H new ATOM 0 HA VAL A 71 -1.642 -0.217 -3.104 1.00 0.29 H new ATOM 0 HB VAL A 71 -2.203 1.375 -0.574 1.00 0.31 H new ATOM 0 HG11 VAL A 71 -3.943 2.521 -1.906 1.00 0.36 H new ATOM 0 HG12 VAL A 71 -2.311 2.812 -2.553 1.00 0.36 H new ATOM 0 HG13 VAL A 71 -3.393 1.650 -3.357 1.00 0.36 H new ATOM 0 HG21 VAL A 71 -4.476 0.434 -0.755 1.00 0.32 H new ATOM 0 HG22 VAL A 71 -3.953 -0.536 -2.152 1.00 0.32 H new ATOM 0 HG23 VAL A 71 -3.243 -0.833 -0.547 1.00 0.32 H new ATOM 1086 N LYS A 72 -0.023 1.592 -3.752 1.00 0.33 N ATOM 1087 CA LYS A 72 0.880 2.660 -4.136 1.00 0.36 C ATOM 1088 C LYS A 72 0.159 3.993 -4.022 1.00 0.37 C ATOM 1089 O LYS A 72 -0.610 4.384 -4.902 1.00 0.42 O ATOM 1090 CB LYS A 72 1.404 2.454 -5.553 1.00 0.43 C ATOM 1091 CG LYS A 72 2.444 3.479 -5.956 1.00 0.50 C ATOM 1092 CD LYS A 72 2.798 3.361 -7.426 1.00 0.89 C ATOM 1093 CE LYS A 72 3.748 4.461 -7.861 1.00 0.91 C ATOM 1094 NZ LYS A 72 4.030 4.391 -9.319 1.00 1.54 N ATOM 0 H LYS A 72 -0.431 1.077 -4.533 1.00 0.33 H new ATOM 0 HA LYS A 72 1.738 2.654 -3.464 1.00 0.36 H new ATOM 0 HB2 LYS A 72 1.836 1.456 -5.633 1.00 0.43 H new ATOM 0 HB3 LYS A 72 0.569 2.497 -6.253 1.00 0.43 H new ATOM 0 HG2 LYS A 72 2.068 4.481 -5.750 1.00 0.50 H new ATOM 0 HG3 LYS A 72 3.342 3.345 -5.352 1.00 0.50 H new ATOM 0 HD2 LYS A 72 3.255 2.389 -7.614 1.00 0.89 H new ATOM 0 HD3 LYS A 72 1.888 3.407 -8.025 1.00 0.89 H new ATOM 0 HE2 LYS A 72 3.317 5.432 -7.619 1.00 0.91 H new ATOM 0 HE3 LYS A 72 4.681 4.379 -7.304 1.00 0.91 H new ATOM 0 HZ1 LYS A 72 4.682 5.157 -9.584 1.00 1.54 H new ATOM 0 HZ2 LYS A 72 4.464 3.473 -9.545 1.00 1.54 H new ATOM 0 HZ3 LYS A 72 3.142 4.494 -9.850 1.00 1.54 H new ATOM 1108 N LEU A 73 0.406 4.675 -2.925 1.00 0.33 N ATOM 1109 CA LEU A 73 -0.306 5.889 -2.590 1.00 0.33 C ATOM 1110 C LEU A 73 0.035 7.013 -3.556 1.00 0.35 C ATOM 1111 O LEU A 73 1.091 7.012 -4.189 1.00 0.38 O ATOM 1112 CB LEU A 73 0.031 6.299 -1.164 1.00 0.32 C ATOM 1113 CG LEU A 73 -0.122 5.186 -0.127 1.00 0.32 C ATOM 1114 CD1 LEU A 73 0.534 5.587 1.180 1.00 0.31 C ATOM 1115 CD2 LEU A 73 -1.592 4.870 0.095 1.00 0.35 C ATOM 0 H LEU A 73 1.109 4.402 -2.238 1.00 0.33 H new ATOM 0 HA LEU A 73 -1.376 5.696 -2.670 1.00 0.33 H new ATOM 0 HB2 LEU A 73 1.058 6.663 -1.138 1.00 0.32 H new ATOM 0 HB3 LEU A 73 -0.610 7.133 -0.879 1.00 0.32 H new ATOM 0 HG LEU A 73 0.374 4.291 -0.503 1.00 0.32 H new ATOM 0 HD11 LEU A 73 0.416 4.784 1.908 1.00 0.31 H new ATOM 0 HD12 LEU A 73 1.595 5.772 1.013 1.00 0.31 H new ATOM 0 HD13 LEU A 73 0.063 6.493 1.560 1.00 0.31 H new ATOM 0 HD21 LEU A 73 -1.686 4.076 0.836 1.00 0.35 H new ATOM 0 HD22 LEU A 73 -2.106 5.762 0.453 1.00 0.35 H new ATOM 0 HD23 LEU A 73 -2.040 4.545 -0.844 1.00 0.35 H new ATOM 1127 N GLY A 74 -0.864 7.974 -3.654 1.00 0.37 N ATOM 1128 CA GLY A 74 -0.697 9.054 -4.604 1.00 0.41 C ATOM 1129 C GLY A 74 -1.413 8.781 -5.911 1.00 0.43 C ATOM 1130 O GLY A 74 -1.543 9.666 -6.754 1.00 0.49 O ATOM 0 H GLY A 74 -1.712 8.028 -3.090 1.00 0.37 H new ATOM 0 HA2 GLY A 74 -1.076 9.979 -4.170 1.00 0.41 H new ATOM 0 HA3 GLY A 74 0.365 9.204 -4.798 1.00 0.41 H new ATOM 1134 N THR A 75 -1.886 7.551 -6.081 1.00 0.43 N ATOM 1135 CA THR A 75 -2.604 7.167 -7.292 1.00 0.47 C ATOM 1136 C THR A 75 -4.078 6.963 -6.982 1.00 0.43 C ATOM 1137 O THR A 75 -4.869 6.573 -7.842 1.00 0.43 O ATOM 1138 CB THR A 75 -2.033 5.868 -7.890 1.00 0.50 C ATOM 1139 OG1 THR A 75 -2.214 4.786 -6.963 1.00 0.44 O ATOM 1140 CG2 THR A 75 -0.554 6.026 -8.215 1.00 0.62 C ATOM 0 H THR A 75 -1.785 6.802 -5.396 1.00 0.43 H new ATOM 0 HA THR A 75 -2.484 7.971 -8.018 1.00 0.47 H new ATOM 0 HB THR A 75 -2.568 5.649 -8.814 1.00 0.50 H new ATOM 0 HG1 THR A 75 -1.702 4.965 -6.147 1.00 0.44 H new ATOM 0 HG21 THR A 75 -0.173 5.096 -8.636 1.00 0.62 H new ATOM 0 HG22 THR A 75 -0.424 6.832 -8.938 1.00 0.62 H new ATOM 0 HG23 THR A 75 -0.005 6.264 -7.304 1.00 0.62 H new ATOM 1148 N ILE A 76 -4.435 7.232 -5.736 1.00 0.44 N ATOM 1149 CA ILE A 76 -5.781 6.993 -5.253 1.00 0.43 C ATOM 1150 C ILE A 76 -6.755 8.021 -5.808 1.00 0.46 C ATOM 1151 O ILE A 76 -6.668 9.213 -5.509 1.00 0.53 O ATOM 1152 CB ILE A 76 -5.812 6.998 -3.713 1.00 0.45 C ATOM 1153 CG1 ILE A 76 -4.943 5.862 -3.182 1.00 0.45 C ATOM 1154 CG2 ILE A 76 -7.242 6.866 -3.199 1.00 0.49 C ATOM 1155 CD1 ILE A 76 -4.300 6.175 -1.858 1.00 0.47 C ATOM 0 H ILE A 76 -3.802 7.620 -5.036 1.00 0.44 H new ATOM 0 HA ILE A 76 -6.093 6.010 -5.605 1.00 0.43 H new ATOM 0 HB ILE A 76 -5.416 7.948 -3.355 1.00 0.45 H new ATOM 0 HG12 ILE A 76 -5.553 4.965 -3.079 1.00 0.45 H new ATOM 0 HG13 ILE A 76 -4.165 5.637 -3.912 1.00 0.45 H new ATOM 0 HG21 ILE A 76 -7.239 6.872 -2.109 1.00 0.49 H new ATOM 0 HG22 ILE A 76 -7.839 7.702 -3.565 1.00 0.49 H new ATOM 0 HG23 ILE A 76 -7.672 5.930 -3.556 1.00 0.49 H new ATOM 0 HD11 ILE A 76 -3.696 5.326 -1.537 1.00 0.47 H new ATOM 0 HD12 ILE A 76 -3.664 7.054 -1.961 1.00 0.47 H new ATOM 0 HD13 ILE A 76 -5.073 6.372 -1.115 1.00 0.47 H new ATOM 1167 N THR A 77 -7.666 7.545 -6.636 1.00 0.45 N ATOM 1168 CA THR A 77 -8.691 8.380 -7.228 1.00 0.50 C ATOM 1169 C THR A 77 -10.045 7.983 -6.656 1.00 0.56 C ATOM 1170 O THR A 77 -10.148 6.958 -5.981 1.00 0.62 O ATOM 1171 CB THR A 77 -8.704 8.220 -8.767 1.00 0.51 C ATOM 1172 OG1 THR A 77 -8.939 6.850 -9.123 1.00 1.48 O ATOM 1173 CG2 THR A 77 -7.387 8.683 -9.369 1.00 1.27 C ATOM 0 H THR A 77 -7.715 6.566 -6.917 1.00 0.45 H new ATOM 0 HA THR A 77 -8.480 9.424 -6.995 1.00 0.50 H new ATOM 0 HB THR A 77 -9.509 8.839 -9.164 1.00 0.51 H new ATOM 0 HG1 THR A 77 -8.220 6.290 -8.762 1.00 1.48 H new ATOM 0 HG21 THR A 77 -7.419 8.561 -10.452 1.00 1.27 H new ATOM 0 HG22 THR A 77 -7.225 9.733 -9.127 1.00 1.27 H new ATOM 0 HG23 THR A 77 -6.571 8.087 -8.961 1.00 1.27 H new ATOM 1181 N PRO A 78 -11.101 8.776 -6.897 1.00 0.65 N ATOM 1182 CA PRO A 78 -12.456 8.415 -6.481 1.00 0.73 C ATOM 1183 C PRO A 78 -13.046 7.289 -7.335 1.00 0.75 C ATOM 1184 O PRO A 78 -14.264 7.180 -7.491 1.00 0.98 O ATOM 1185 CB PRO A 78 -13.255 9.705 -6.660 1.00 0.88 C ATOM 1186 CG PRO A 78 -12.481 10.538 -7.619 1.00 1.04 C ATOM 1187 CD PRO A 78 -11.049 10.090 -7.559 1.00 0.74 C ATOM 0 HA PRO A 78 -12.475 8.036 -5.459 1.00 0.73 H new ATOM 0 HB2 PRO A 78 -14.254 9.495 -7.043 1.00 0.88 H new ATOM 0 HB3 PRO A 78 -13.381 10.221 -5.708 1.00 0.88 H new ATOM 0 HG2 PRO A 78 -12.875 10.425 -8.629 1.00 1.04 H new ATOM 0 HG3 PRO A 78 -12.563 11.594 -7.361 1.00 1.04 H new ATOM 0 HD2 PRO A 78 -10.614 10.015 -8.556 1.00 0.74 H new ATOM 0 HD3 PRO A 78 -10.436 10.794 -6.996 1.00 0.74 H new ATOM 1195 N ASP A 79 -12.171 6.455 -7.884 1.00 0.72 N ATOM 1196 CA ASP A 79 -12.587 5.321 -8.694 1.00 0.80 C ATOM 1197 C ASP A 79 -11.709 4.109 -8.412 1.00 0.73 C ATOM 1198 O ASP A 79 -12.215 3.023 -8.123 1.00 0.85 O ATOM 1199 CB ASP A 79 -12.531 5.667 -10.181 1.00 0.90 C ATOM 1200 CG ASP A 79 -13.019 4.524 -11.044 1.00 1.35 C ATOM 1201 OD1 ASP A 79 -14.219 4.186 -10.960 1.00 2.05 O ATOM 1202 OD2 ASP A 79 -12.208 3.949 -11.800 1.00 1.64 O ATOM 0 H ASP A 79 -11.160 6.546 -7.780 1.00 0.72 H new ATOM 0 HA ASP A 79 -13.617 5.080 -8.429 1.00 0.80 H new ATOM 0 HB2 ASP A 79 -13.139 6.551 -10.371 1.00 0.90 H new ATOM 0 HB3 ASP A 79 -11.507 5.919 -10.457 1.00 0.90 H new ATOM 1207 N GLY A 80 -10.399 4.297 -8.496 1.00 0.60 N ATOM 1208 CA GLY A 80 -9.475 3.211 -8.233 1.00 0.62 C ATOM 1209 C GLY A 80 -8.092 3.710 -7.865 1.00 0.52 C ATOM 1210 O GLY A 80 -7.883 4.916 -7.712 1.00 0.65 O ATOM 0 H GLY A 80 -9.959 5.184 -8.742 1.00 0.60 H new ATOM 0 HA2 GLY A 80 -9.864 2.594 -7.423 1.00 0.62 H new ATOM 0 HA3 GLY A 80 -9.406 2.574 -9.114 1.00 0.62 H new ATOM 1214 N ALA A 81 -7.151 2.790 -7.709 1.00 0.42 N ATOM 1215 CA ALA A 81 -5.774 3.148 -7.398 1.00 0.38 C ATOM 1216 C ALA A 81 -4.816 2.072 -7.881 1.00 0.34 C ATOM 1217 O ALA A 81 -5.228 0.952 -8.195 1.00 0.35 O ATOM 1218 CB ALA A 81 -5.601 3.353 -5.903 1.00 0.50 C ATOM 0 H ALA A 81 -7.316 1.787 -7.793 1.00 0.42 H new ATOM 0 HA ALA A 81 -5.545 4.081 -7.914 1.00 0.38 H new ATOM 0 HB1 ALA A 81 -4.566 3.620 -5.690 1.00 0.50 H new ATOM 0 HB2 ALA A 81 -6.259 4.154 -5.567 1.00 0.50 H new ATOM 0 HB3 ALA A 81 -5.854 2.432 -5.378 1.00 0.50 H new ATOM 1224 N ASP A 82 -3.538 2.411 -7.926 1.00 0.34 N ATOM 1225 CA ASP A 82 -2.520 1.459 -8.340 1.00 0.34 C ATOM 1226 C ASP A 82 -2.037 0.666 -7.141 1.00 0.33 C ATOM 1227 O ASP A 82 -1.223 1.145 -6.355 1.00 0.53 O ATOM 1228 CB ASP A 82 -1.318 2.158 -8.992 1.00 0.45 C ATOM 1229 CG ASP A 82 -1.602 2.680 -10.387 1.00 0.92 C ATOM 1230 OD1 ASP A 82 -2.143 1.914 -11.213 1.00 1.25 O ATOM 1231 OD2 ASP A 82 -1.324 3.869 -10.652 1.00 1.77 O ATOM 0 H ASP A 82 -3.181 3.335 -7.682 1.00 0.34 H new ATOM 0 HA ASP A 82 -2.974 0.795 -9.076 1.00 0.34 H new ATOM 0 HB2 ASP A 82 -1.004 2.988 -8.359 1.00 0.45 H new ATOM 0 HB3 ASP A 82 -0.483 1.459 -9.038 1.00 0.45 H new ATOM 1236 N VAL A 83 -2.551 -0.538 -6.984 1.00 0.34 N ATOM 1237 CA VAL A 83 -2.078 -1.420 -5.958 1.00 0.41 C ATOM 1238 C VAL A 83 -0.960 -2.289 -6.512 1.00 0.40 C ATOM 1239 O VAL A 83 -1.031 -2.769 -7.641 1.00 0.43 O ATOM 1240 CB VAL A 83 -3.217 -2.294 -5.410 1.00 0.54 C ATOM 1241 CG1 VAL A 83 -4.202 -1.455 -4.615 1.00 0.88 C ATOM 1242 CG2 VAL A 83 -3.928 -3.027 -6.531 1.00 0.70 C ATOM 0 H VAL A 83 -3.300 -0.921 -7.561 1.00 0.34 H new ATOM 0 HA VAL A 83 -1.695 -0.821 -5.132 1.00 0.41 H new ATOM 0 HB VAL A 83 -2.779 -3.037 -4.743 1.00 0.54 H new ATOM 0 HG11 VAL A 83 -5.000 -2.093 -4.236 1.00 0.88 H new ATOM 0 HG12 VAL A 83 -3.686 -0.984 -3.778 1.00 0.88 H new ATOM 0 HG13 VAL A 83 -4.627 -0.685 -5.259 1.00 0.88 H new ATOM 0 HG21 VAL A 83 -4.729 -3.638 -6.115 1.00 0.70 H new ATOM 0 HG22 VAL A 83 -4.348 -2.304 -7.230 1.00 0.70 H new ATOM 0 HG23 VAL A 83 -3.218 -3.667 -7.055 1.00 0.70 H new ATOM 1252 N TYR A 84 0.079 -2.476 -5.728 1.00 0.41 N ATOM 1253 CA TYR A 84 1.246 -3.204 -6.179 1.00 0.42 C ATOM 1254 C TYR A 84 1.417 -4.466 -5.354 1.00 0.42 C ATOM 1255 O TYR A 84 1.271 -4.451 -4.130 1.00 0.44 O ATOM 1256 CB TYR A 84 2.499 -2.332 -6.055 1.00 0.48 C ATOM 1257 CG TYR A 84 3.677 -2.796 -6.893 1.00 0.82 C ATOM 1258 CD1 TYR A 84 4.496 -3.829 -6.455 1.00 1.74 C ATOM 1259 CD2 TYR A 84 3.963 -2.212 -8.122 1.00 1.24 C ATOM 1260 CE1 TYR A 84 5.568 -4.263 -7.212 1.00 2.45 C ATOM 1261 CE2 TYR A 84 5.034 -2.642 -8.886 1.00 1.81 C ATOM 1262 CZ TYR A 84 5.843 -3.627 -8.434 1.00 2.31 C ATOM 1263 OH TYR A 84 6.902 -4.100 -9.182 1.00 3.09 O ATOM 0 H TYR A 84 0.140 -2.132 -4.770 1.00 0.41 H new ATOM 0 HA TYR A 84 1.107 -3.473 -7.226 1.00 0.42 H new ATOM 0 HB2 TYR A 84 2.245 -1.311 -6.342 1.00 0.48 H new ATOM 0 HB3 TYR A 84 2.803 -2.303 -5.009 1.00 0.48 H new ATOM 0 HD1 TYR A 84 4.291 -4.302 -5.506 1.00 1.74 H new ATOM 0 HD2 TYR A 84 3.339 -1.409 -8.487 1.00 1.24 H new ATOM 0 HE1 TYR A 84 6.186 -5.080 -6.869 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.225 -2.189 -9.848 1.00 1.81 H new ATOM 0 HH TYR A 84 6.605 -4.860 -9.725 1.00 3.09 H new ATOM 1273 N SER A 85 1.721 -5.552 -6.024 1.00 0.43 N ATOM 1274 CA SER A 85 1.986 -6.801 -5.350 1.00 0.45 C ATOM 1275 C SER A 85 3.441 -7.182 -5.556 1.00 0.47 C ATOM 1276 O SER A 85 3.893 -7.347 -6.687 1.00 0.59 O ATOM 1277 CB SER A 85 1.065 -7.904 -5.875 1.00 0.51 C ATOM 1278 OG SER A 85 1.300 -9.129 -5.194 1.00 1.41 O ATOM 0 H SER A 85 1.791 -5.596 -7.041 1.00 0.43 H new ATOM 0 HA SER A 85 1.791 -6.681 -4.284 1.00 0.45 H new ATOM 0 HB2 SER A 85 0.024 -7.606 -5.747 1.00 0.51 H new ATOM 0 HB3 SER A 85 1.228 -8.041 -6.944 1.00 0.51 H new ATOM 0 HG SER A 85 1.632 -8.943 -4.291 1.00 1.41 H new ATOM 1284 N PHE A 86 4.177 -7.299 -4.462 1.00 0.47 N ATOM 1285 CA PHE A 86 5.585 -7.661 -4.526 1.00 0.54 C ATOM 1286 C PHE A 86 5.728 -9.137 -4.874 1.00 0.57 C ATOM 1287 O PHE A 86 6.765 -9.576 -5.364 1.00 0.70 O ATOM 1288 CB PHE A 86 6.276 -7.353 -3.196 1.00 0.60 C ATOM 1289 CG PHE A 86 6.172 -5.909 -2.788 1.00 1.16 C ATOM 1290 CD1 PHE A 86 6.959 -4.943 -3.395 1.00 1.30 C ATOM 1291 CD2 PHE A 86 5.280 -5.519 -1.801 1.00 2.19 C ATOM 1292 CE1 PHE A 86 6.859 -3.615 -3.025 1.00 2.20 C ATOM 1293 CE2 PHE A 86 5.176 -4.193 -1.427 1.00 3.16 C ATOM 1294 CZ PHE A 86 5.968 -3.239 -2.041 1.00 3.10 C ATOM 0 H PHE A 86 3.822 -7.148 -3.518 1.00 0.47 H new ATOM 0 HA PHE A 86 6.066 -7.070 -5.306 1.00 0.54 H new ATOM 0 HB2 PHE A 86 5.839 -7.976 -2.415 1.00 0.60 H new ATOM 0 HB3 PHE A 86 7.328 -7.627 -3.270 1.00 0.60 H new ATOM 0 HD1 PHE A 86 7.658 -5.231 -4.166 1.00 1.30 H new ATOM 0 HD2 PHE A 86 4.659 -6.260 -1.319 1.00 2.19 H new ATOM 0 HE1 PHE A 86 7.478 -2.872 -3.506 1.00 2.20 H new ATOM 0 HE2 PHE A 86 4.478 -3.902 -0.657 1.00 3.16 H new ATOM 0 HZ PHE A 86 5.889 -2.202 -1.751 1.00 3.10 H new ATOM 1304 N GLN A 87 4.664 -9.892 -4.623 1.00 0.56 N ATOM 1305 CA GLN A 87 4.624 -11.303 -4.971 1.00 0.67 C ATOM 1306 C GLN A 87 4.505 -11.457 -6.477 1.00 0.72 C ATOM 1307 O GLN A 87 5.304 -12.139 -7.112 1.00 0.84 O ATOM 1308 CB GLN A 87 3.436 -11.980 -4.294 1.00 0.75 C ATOM 1309 CG GLN A 87 3.366 -13.475 -4.561 1.00 0.93 C ATOM 1310 CD GLN A 87 2.026 -14.071 -4.187 1.00 1.56 C ATOM 1311 OE1 GLN A 87 1.820 -14.500 -3.052 1.00 2.36 O ATOM 1312 NE2 GLN A 87 1.110 -14.116 -5.144 1.00 2.08 N ATOM 0 H GLN A 87 3.815 -9.546 -4.177 1.00 0.56 H new ATOM 0 HA GLN A 87 5.545 -11.775 -4.628 1.00 0.67 H new ATOM 0 HB2 GLN A 87 3.495 -11.812 -3.219 1.00 0.75 H new ATOM 0 HB3 GLN A 87 2.514 -11.512 -4.640 1.00 0.75 H new ATOM 0 HG2 GLN A 87 3.560 -13.661 -5.617 1.00 0.93 H new ATOM 0 HG3 GLN A 87 4.153 -13.978 -3.999 1.00 0.93 H new ATOM 0 HE21 GLN A 87 1.323 -13.749 -6.071 1.00 2.08 H new ATOM 0 HE22 GLN A 87 0.192 -14.518 -4.953 1.00 2.08 H new ATOM 1321 N GLU A 88 3.500 -10.798 -7.039 1.00 0.68 N ATOM 1322 CA GLU A 88 3.280 -10.808 -8.477 1.00 0.75 C ATOM 1323 C GLU A 88 4.363 -10.002 -9.185 1.00 0.70 C ATOM 1324 O GLU A 88 4.559 -10.129 -10.393 1.00 0.78 O ATOM 1325 CB GLU A 88 1.908 -10.224 -8.805 1.00 0.80 C ATOM 1326 CG GLU A 88 0.753 -10.934 -8.119 1.00 1.08 C ATOM 1327 CD GLU A 88 0.549 -12.344 -8.625 1.00 1.56 C ATOM 1328 OE1 GLU A 88 0.048 -12.512 -9.755 1.00 2.02 O ATOM 1329 OE2 GLU A 88 0.905 -13.294 -7.891 1.00 2.25 O ATOM 0 H GLU A 88 2.820 -10.246 -6.515 1.00 0.68 H new ATOM 0 HA GLU A 88 3.322 -11.840 -8.825 1.00 0.75 H new ATOM 0 HB2 GLU A 88 1.895 -9.172 -8.520 1.00 0.80 H new ATOM 0 HB3 GLU A 88 1.756 -10.264 -9.884 1.00 0.80 H new ATOM 0 HG2 GLU A 88 0.936 -10.961 -7.045 1.00 1.08 H new ATOM 0 HG3 GLU A 88 -0.162 -10.362 -8.272 1.00 1.08 H new ATOM 1336 N GLU A 89 5.053 -9.165 -8.404 1.00 0.62 N ATOM 1337 CA GLU A 89 6.118 -8.289 -8.900 1.00 0.65 C ATOM 1338 C GLU A 89 5.569 -7.243 -9.861 1.00 0.62 C ATOM 1339 O GLU A 89 6.320 -6.623 -10.612 1.00 0.78 O ATOM 1340 CB GLU A 89 7.223 -9.097 -9.581 1.00 0.80 C ATOM 1341 CG GLU A 89 7.953 -10.039 -8.643 1.00 1.48 C ATOM 1342 CD GLU A 89 8.958 -10.901 -9.370 1.00 1.67 C ATOM 1343 OE1 GLU A 89 8.545 -11.897 -9.997 1.00 2.29 O ATOM 1344 OE2 GLU A 89 10.164 -10.590 -9.316 1.00 1.55 O ATOM 0 H GLU A 89 4.886 -9.076 -7.402 1.00 0.62 H new ATOM 0 HA GLU A 89 6.544 -7.776 -8.038 1.00 0.65 H new ATOM 0 HB2 GLU A 89 6.789 -9.675 -10.397 1.00 0.80 H new ATOM 0 HB3 GLU A 89 7.943 -8.410 -10.025 1.00 0.80 H new ATOM 0 HG2 GLU A 89 8.463 -9.460 -7.873 1.00 1.48 H new ATOM 0 HG3 GLU A 89 7.229 -10.677 -8.135 1.00 1.48 H new ATOM 1351 N GLU A 90 4.265 -7.025 -9.806 1.00 0.49 N ATOM 1352 CA GLU A 90 3.593 -6.142 -10.746 1.00 0.53 C ATOM 1353 C GLU A 90 2.498 -5.353 -10.038 1.00 0.45 C ATOM 1354 O GLU A 90 2.040 -5.742 -8.958 1.00 0.44 O ATOM 1355 CB GLU A 90 2.965 -6.968 -11.878 1.00 0.67 C ATOM 1356 CG GLU A 90 1.829 -7.869 -11.407 1.00 1.26 C ATOM 1357 CD GLU A 90 1.097 -8.554 -12.541 1.00 1.72 C ATOM 1358 OE1 GLU A 90 0.402 -7.858 -13.316 1.00 2.05 O ATOM 1359 OE2 GLU A 90 1.232 -9.786 -12.682 1.00 2.10 O ATOM 0 H GLU A 90 3.647 -7.451 -9.115 1.00 0.49 H new ATOM 0 HA GLU A 90 4.327 -5.450 -11.158 1.00 0.53 H new ATOM 0 HB2 GLU A 90 2.589 -6.292 -12.646 1.00 0.67 H new ATOM 0 HB3 GLU A 90 3.737 -7.581 -12.343 1.00 0.67 H new ATOM 0 HG2 GLU A 90 2.231 -8.626 -10.734 1.00 1.26 H new ATOM 0 HG3 GLU A 90 1.119 -7.275 -10.832 1.00 1.26 H new ATOM 1366 N PRO A 91 2.096 -4.214 -10.616 1.00 0.47 N ATOM 1367 CA PRO A 91 0.883 -3.518 -10.208 1.00 0.45 C ATOM 1368 C PRO A 91 -0.343 -4.323 -10.624 1.00 0.44 C ATOM 1369 O PRO A 91 -0.489 -4.693 -11.791 1.00 0.51 O ATOM 1370 CB PRO A 91 0.940 -2.180 -10.964 1.00 0.54 C ATOM 1371 CG PRO A 91 2.327 -2.086 -11.507 1.00 0.64 C ATOM 1372 CD PRO A 91 2.798 -3.499 -11.689 1.00 0.60 C ATOM 0 HA PRO A 91 0.815 -3.378 -9.129 1.00 0.45 H new ATOM 0 HB2 PRO A 91 0.202 -2.151 -11.766 1.00 0.54 H new ATOM 0 HB3 PRO A 91 0.722 -1.344 -10.299 1.00 0.54 H new ATOM 0 HG2 PRO A 91 2.339 -1.546 -12.454 1.00 0.64 H new ATOM 0 HG3 PRO A 91 2.978 -1.543 -10.822 1.00 0.64 H new ATOM 0 HD2 PRO A 91 2.538 -3.889 -12.673 1.00 0.60 H new ATOM 0 HD3 PRO A 91 3.880 -3.581 -11.590 1.00 0.60 H new ATOM 1380 N VAL A 92 -1.228 -4.575 -9.681 1.00 0.41 N ATOM 1381 CA VAL A 92 -2.346 -5.476 -9.909 1.00 0.44 C ATOM 1382 C VAL A 92 -3.666 -4.739 -9.747 1.00 0.46 C ATOM 1383 O VAL A 92 -3.696 -3.510 -9.678 1.00 0.58 O ATOM 1384 CB VAL A 92 -2.306 -6.672 -8.929 1.00 0.46 C ATOM 1385 CG1 VAL A 92 -1.067 -7.524 -9.159 1.00 0.50 C ATOM 1386 CG2 VAL A 92 -2.348 -6.193 -7.487 1.00 0.46 C ATOM 0 H VAL A 92 -1.197 -4.169 -8.746 1.00 0.41 H new ATOM 0 HA VAL A 92 -2.263 -5.852 -10.929 1.00 0.44 H new ATOM 0 HB VAL A 92 -3.188 -7.284 -9.119 1.00 0.46 H new ATOM 0 HG11 VAL A 92 -1.063 -8.358 -8.457 1.00 0.50 H new ATOM 0 HG12 VAL A 92 -1.074 -7.908 -10.179 1.00 0.50 H new ATOM 0 HG13 VAL A 92 -0.175 -6.917 -9.006 1.00 0.50 H new ATOM 0 HG21 VAL A 92 -2.319 -7.052 -6.817 1.00 0.46 H new ATOM 0 HG22 VAL A 92 -1.489 -5.551 -7.292 1.00 0.46 H new ATOM 0 HG23 VAL A 92 -3.267 -5.631 -7.317 1.00 0.46 H new ATOM 1396 N LEU A 93 -4.752 -5.490 -9.720 1.00 0.56 N ATOM 1397 CA LEU A 93 -6.071 -4.919 -9.542 1.00 0.59 C ATOM 1398 C LEU A 93 -6.805 -5.668 -8.439 1.00 0.56 C ATOM 1399 O LEU A 93 -6.760 -6.899 -8.378 1.00 0.66 O ATOM 1400 CB LEU A 93 -6.855 -4.980 -10.851 1.00 0.67 C ATOM 1401 CG LEU A 93 -8.301 -4.484 -10.777 1.00 0.87 C ATOM 1402 CD1 LEU A 93 -8.349 -3.018 -10.371 1.00 1.32 C ATOM 1403 CD2 LEU A 93 -8.994 -4.687 -12.112 1.00 1.49 C ATOM 0 H LEU A 93 -4.744 -6.505 -9.820 1.00 0.56 H new ATOM 0 HA LEU A 93 -5.975 -3.872 -9.253 1.00 0.59 H new ATOM 0 HB2 LEU A 93 -6.325 -4.391 -11.599 1.00 0.67 H new ATOM 0 HB3 LEU A 93 -6.861 -6.012 -11.203 1.00 0.67 H new ATOM 0 HG LEU A 93 -8.825 -5.064 -10.018 1.00 0.87 H new ATOM 0 HD11 LEU A 93 -9.387 -2.687 -10.325 1.00 1.32 H new ATOM 0 HD12 LEU A 93 -7.885 -2.896 -9.392 1.00 1.32 H new ATOM 0 HD13 LEU A 93 -7.810 -2.419 -11.105 1.00 1.32 H new ATOM 0 HD21 LEU A 93 -10.022 -4.330 -12.046 1.00 1.49 H new ATOM 0 HD22 LEU A 93 -8.465 -4.130 -12.885 1.00 1.49 H new ATOM 0 HD23 LEU A 93 -8.993 -5.747 -12.365 1.00 1.49 H new ATOM 1415 N ASP A 94 -7.467 -4.918 -7.576 1.00 0.57 N ATOM 1416 CA ASP A 94 -8.142 -5.484 -6.418 1.00 0.54 C ATOM 1417 C ASP A 94 -9.652 -5.298 -6.531 1.00 0.53 C ATOM 1418 O ASP A 94 -10.150 -4.175 -6.587 1.00 0.54 O ATOM 1419 CB ASP A 94 -7.617 -4.820 -5.145 1.00 0.56 C ATOM 1420 CG ASP A 94 -8.377 -5.220 -3.897 1.00 0.64 C ATOM 1421 OD1 ASP A 94 -8.899 -6.354 -3.835 1.00 0.85 O ATOM 1422 OD2 ASP A 94 -8.457 -4.392 -2.969 1.00 0.85 O ATOM 0 H ASP A 94 -7.553 -3.905 -7.656 1.00 0.57 H new ATOM 0 HA ASP A 94 -7.936 -6.553 -6.376 1.00 0.54 H new ATOM 0 HB2 ASP A 94 -6.565 -5.077 -5.018 1.00 0.56 H new ATOM 0 HB3 ASP A 94 -7.669 -3.737 -5.261 1.00 0.56 H new ATOM 1427 N PRO A 95 -10.398 -6.408 -6.599 1.00 0.59 N ATOM 1428 CA PRO A 95 -11.864 -6.386 -6.659 1.00 0.66 C ATOM 1429 C PRO A 95 -12.503 -5.846 -5.376 1.00 0.64 C ATOM 1430 O PRO A 95 -13.683 -5.504 -5.360 1.00 0.74 O ATOM 1431 CB PRO A 95 -12.241 -7.862 -6.859 1.00 0.75 C ATOM 1432 CG PRO A 95 -10.991 -8.519 -7.331 1.00 0.77 C ATOM 1433 CD PRO A 95 -9.873 -7.776 -6.663 1.00 0.66 C ATOM 0 HA PRO A 95 -12.220 -5.727 -7.451 1.00 0.66 H new ATOM 0 HB2 PRO A 95 -12.595 -8.308 -5.930 1.00 0.75 H new ATOM 0 HB3 PRO A 95 -13.043 -7.969 -7.589 1.00 0.75 H new ATOM 0 HG2 PRO A 95 -10.977 -9.575 -7.062 1.00 0.77 H new ATOM 0 HG3 PRO A 95 -10.905 -8.465 -8.416 1.00 0.77 H new ATOM 0 HD2 PRO A 95 -9.656 -8.174 -5.672 1.00 0.66 H new ATOM 0 HD3 PRO A 95 -8.949 -7.830 -7.238 1.00 0.66 H new ATOM 1441 N HIS A 96 -11.726 -5.774 -4.302 1.00 0.58 N ATOM 1442 CA HIS A 96 -12.239 -5.288 -3.025 1.00 0.64 C ATOM 1443 C HIS A 96 -11.466 -4.067 -2.548 1.00 0.57 C ATOM 1444 O HIS A 96 -11.133 -3.957 -1.364 1.00 0.58 O ATOM 1445 CB HIS A 96 -12.181 -6.386 -1.958 1.00 0.80 C ATOM 1446 CG HIS A 96 -13.164 -7.495 -2.166 1.00 1.01 C ATOM 1447 ND1 HIS A 96 -14.349 -7.593 -1.467 1.00 1.93 N ATOM 1448 CD2 HIS A 96 -13.129 -8.568 -2.992 1.00 1.18 C ATOM 1449 CE1 HIS A 96 -14.995 -8.677 -1.852 1.00 1.93 C ATOM 1450 NE2 HIS A 96 -14.278 -9.285 -2.775 1.00 1.31 N ATOM 0 H HIS A 96 -10.743 -6.044 -4.288 1.00 0.58 H new ATOM 0 HA HIS A 96 -13.279 -5.001 -3.181 1.00 0.64 H new ATOM 0 HB2 HIS A 96 -11.175 -6.806 -1.939 1.00 0.80 H new ATOM 0 HB3 HIS A 96 -12.358 -5.937 -0.981 1.00 0.80 H new ATOM 0 HD2 HIS A 96 -12.343 -8.813 -3.691 1.00 1.18 H new ATOM 0 HE1 HIS A 96 -15.950 -9.010 -1.474 1.00 1.93 H new ATOM 0 HE2 HIS A 96 -14.536 -10.149 -3.251 1.00 1.31 H new ATOM 1459 N LEU A 97 -11.189 -3.153 -3.475 1.00 0.56 N ATOM 1460 CA LEU A 97 -10.484 -1.912 -3.155 1.00 0.54 C ATOM 1461 C LEU A 97 -11.183 -1.172 -2.031 1.00 0.54 C ATOM 1462 O LEU A 97 -10.557 -0.779 -1.048 1.00 0.55 O ATOM 1463 CB LEU A 97 -10.412 -0.994 -4.384 1.00 0.59 C ATOM 1464 CG LEU A 97 -9.496 -1.449 -5.517 1.00 0.62 C ATOM 1465 CD1 LEU A 97 -9.726 -0.578 -6.739 1.00 0.73 C ATOM 1466 CD2 LEU A 97 -8.037 -1.382 -5.093 1.00 0.63 C ATOM 0 H LEU A 97 -11.443 -3.248 -4.458 1.00 0.56 H new ATOM 0 HA LEU A 97 -9.475 -2.179 -2.842 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -11.419 -0.879 -4.784 1.00 0.59 H new ATOM 0 HB3 LEU A 97 -10.085 -0.008 -4.055 1.00 0.59 H new ATOM 0 HG LEU A 97 -9.731 -2.485 -5.761 1.00 0.62 H new ATOM 0 HD11 LEU A 97 -9.071 -0.904 -7.547 1.00 0.73 H new ATOM 0 HD12 LEU A 97 -10.765 -0.664 -7.057 1.00 0.73 H new ATOM 0 HD13 LEU A 97 -9.507 0.461 -6.492 1.00 0.73 H new ATOM 0 HD21 LEU A 97 -7.403 -1.711 -5.917 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -7.782 -0.356 -4.826 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -7.878 -2.031 -4.232 1.00 0.63 H new ATOM 1478 N ALA A 98 -12.493 -1.014 -2.170 1.00 0.58 N ATOM 1479 CA ALA A 98 -13.271 -0.257 -1.203 1.00 0.63 C ATOM 1480 C ALA A 98 -13.208 -0.909 0.169 1.00 0.61 C ATOM 1481 O ALA A 98 -13.158 -0.227 1.187 1.00 0.65 O ATOM 1482 CB ALA A 98 -14.712 -0.122 -1.664 1.00 0.74 C ATOM 0 H ALA A 98 -13.037 -1.400 -2.942 1.00 0.58 H new ATOM 0 HA ALA A 98 -12.840 0.741 -1.126 1.00 0.63 H new ATOM 0 HB1 ALA A 98 -15.278 0.448 -0.927 1.00 0.74 H new ATOM 0 HB2 ALA A 98 -14.740 0.396 -2.623 1.00 0.74 H new ATOM 0 HB3 ALA A 98 -15.153 -1.113 -1.774 1.00 0.74 H new ATOM 1488 N LYS A 99 -13.178 -2.234 0.186 1.00 0.60 N ATOM 1489 CA LYS A 99 -13.102 -2.981 1.434 1.00 0.64 C ATOM 1490 C LYS A 99 -11.744 -2.794 2.094 1.00 0.58 C ATOM 1491 O LYS A 99 -11.652 -2.565 3.301 1.00 0.61 O ATOM 1492 CB LYS A 99 -13.348 -4.465 1.172 1.00 0.73 C ATOM 1493 CG LYS A 99 -13.275 -5.339 2.422 1.00 0.89 C ATOM 1494 CD LYS A 99 -14.219 -4.861 3.519 1.00 1.73 C ATOM 1495 CE LYS A 99 -15.677 -4.991 3.111 1.00 2.30 C ATOM 1496 NZ LYS A 99 -16.595 -4.568 4.199 1.00 2.81 N ATOM 0 H LYS A 99 -13.205 -2.815 -0.652 1.00 0.60 H new ATOM 0 HA LYS A 99 -13.871 -2.601 2.107 1.00 0.64 H new ATOM 0 HB2 LYS A 99 -14.330 -4.584 0.715 1.00 0.73 H new ATOM 0 HB3 LYS A 99 -12.615 -4.822 0.449 1.00 0.73 H new ATOM 0 HG2 LYS A 99 -13.520 -6.368 2.158 1.00 0.89 H new ATOM 0 HG3 LYS A 99 -12.253 -5.342 2.801 1.00 0.89 H new ATOM 0 HD2 LYS A 99 -14.043 -5.439 4.426 1.00 1.73 H new ATOM 0 HD3 LYS A 99 -14.001 -3.820 3.757 1.00 1.73 H new ATOM 0 HE2 LYS A 99 -15.861 -4.385 2.224 1.00 2.30 H new ATOM 0 HE3 LYS A 99 -15.887 -6.026 2.840 1.00 2.30 H new ATOM 0 HZ1 LYS A 99 -17.580 -4.671 3.882 1.00 2.81 H new ATOM 0 HZ2 LYS A 99 -16.437 -5.163 5.037 1.00 2.81 H new ATOM 0 HZ3 LYS A 99 -16.412 -3.573 4.441 1.00 2.81 H new ATOM 1510 N HIS A 100 -10.689 -2.879 1.300 1.00 0.55 N ATOM 1511 CA HIS A 100 -9.342 -2.756 1.839 1.00 0.59 C ATOM 1512 C HIS A 100 -9.067 -1.327 2.289 1.00 0.57 C ATOM 1513 O HIS A 100 -8.429 -1.114 3.316 1.00 0.62 O ATOM 1514 CB HIS A 100 -8.292 -3.227 0.828 1.00 0.69 C ATOM 1515 CG HIS A 100 -8.307 -4.717 0.623 1.00 1.73 C ATOM 1516 ND1 HIS A 100 -8.400 -5.314 -0.612 1.00 2.69 N ATOM 1517 CD2 HIS A 100 -8.230 -5.734 1.518 1.00 2.45 C ATOM 1518 CE1 HIS A 100 -8.382 -6.624 -0.473 1.00 3.49 C ATOM 1519 NE2 HIS A 100 -8.279 -6.908 0.810 1.00 3.34 N ATOM 0 H HIS A 100 -10.736 -3.031 0.292 1.00 0.55 H new ATOM 0 HA HIS A 100 -9.272 -3.405 2.712 1.00 0.59 H new ATOM 0 HB2 HIS A 100 -8.466 -2.732 -0.127 1.00 0.69 H new ATOM 0 HB3 HIS A 100 -7.303 -2.922 1.170 1.00 0.69 H new ATOM 0 HD1 HIS A 100 -8.472 -4.818 -1.500 1.00 2.69 H new ATOM 0 HD2 HIS A 100 -8.146 -5.637 2.590 1.00 2.45 H new ATOM 0 HE1 HIS A 100 -8.442 -7.344 -1.276 1.00 3.49 H new ATOM 1528 N LEU A 101 -9.573 -0.355 1.541 1.00 0.58 N ATOM 1529 CA LEU A 101 -9.405 1.042 1.909 1.00 0.66 C ATOM 1530 C LEU A 101 -10.284 1.390 3.092 1.00 0.68 C ATOM 1531 O LEU A 101 -9.943 2.248 3.894 1.00 0.76 O ATOM 1532 CB LEU A 101 -9.736 1.953 0.736 1.00 0.70 C ATOM 1533 CG LEU A 101 -8.966 1.646 -0.537 1.00 0.72 C ATOM 1534 CD1 LEU A 101 -9.276 2.675 -1.607 1.00 0.81 C ATOM 1535 CD2 LEU A 101 -7.473 1.595 -0.258 1.00 0.79 C ATOM 0 H LEU A 101 -10.100 -0.508 0.681 1.00 0.58 H new ATOM 0 HA LEU A 101 -8.362 1.193 2.186 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -10.803 1.881 0.526 1.00 0.70 H new ATOM 0 HB3 LEU A 101 -9.537 2.985 1.026 1.00 0.70 H new ATOM 0 HG LEU A 101 -9.279 0.668 -0.902 1.00 0.72 H new ATOM 0 HD11 LEU A 101 -8.716 2.439 -2.512 1.00 0.81 H new ATOM 0 HD12 LEU A 101 -10.343 2.661 -1.827 1.00 0.81 H new ATOM 0 HD13 LEU A 101 -8.992 3.666 -1.252 1.00 0.81 H new ATOM 0 HD21 LEU A 101 -6.938 1.374 -1.181 1.00 0.79 H new ATOM 0 HD22 LEU A 101 -7.143 2.558 0.131 1.00 0.79 H new ATOM 0 HD23 LEU A 101 -7.266 0.816 0.476 1.00 0.79 H new ATOM 1547 N ALA A 102 -11.420 0.724 3.194 1.00 0.68 N ATOM 1548 CA ALA A 102 -12.285 0.879 4.359 1.00 0.78 C ATOM 1549 C ALA A 102 -11.558 0.418 5.616 1.00 0.76 C ATOM 1550 O ALA A 102 -11.724 0.992 6.692 1.00 0.85 O ATOM 1551 CB ALA A 102 -13.582 0.109 4.183 1.00 0.88 C ATOM 0 H ALA A 102 -11.768 0.073 2.490 1.00 0.68 H new ATOM 0 HA ALA A 102 -12.534 1.935 4.462 1.00 0.78 H new ATOM 0 HB1 ALA A 102 -14.207 0.242 5.066 1.00 0.88 H new ATOM 0 HB2 ALA A 102 -14.110 0.481 3.305 1.00 0.88 H new ATOM 0 HB3 ALA A 102 -13.361 -0.950 4.051 1.00 0.88 H new ATOM 1557 N HIS A 103 -10.734 -0.614 5.459 1.00 0.72 N ATOM 1558 CA HIS A 103 -9.882 -1.101 6.541 1.00 0.79 C ATOM 1559 C HIS A 103 -8.758 -0.101 6.815 1.00 0.88 C ATOM 1560 O HIS A 103 -8.039 -0.202 7.810 1.00 1.02 O ATOM 1561 CB HIS A 103 -9.301 -2.468 6.169 1.00 0.86 C ATOM 1562 CG HIS A 103 -8.430 -3.077 7.227 1.00 1.10 C ATOM 1563 ND1 HIS A 103 -7.062 -3.206 7.100 1.00 1.75 N ATOM 1564 CD2 HIS A 103 -8.745 -3.603 8.432 1.00 1.50 C ATOM 1565 CE1 HIS A 103 -6.576 -3.780 8.184 1.00 1.77 C ATOM 1566 NE2 HIS A 103 -7.576 -4.033 9.007 1.00 1.52 N ATOM 0 H HIS A 103 -10.638 -1.133 4.586 1.00 0.72 H new ATOM 0 HA HIS A 103 -10.480 -1.207 7.446 1.00 0.79 H new ATOM 0 HB2 HIS A 103 -10.122 -3.152 5.953 1.00 0.86 H new ATOM 0 HB3 HIS A 103 -8.721 -2.366 5.252 1.00 0.86 H new ATOM 0 HD2 HIS A 103 -9.733 -3.672 8.862 1.00 1.50 H new ATOM 0 HE1 HIS A 103 -5.536 -4.005 8.367 1.00 1.77 H new ATOM 0 HE2 HIS A 103 -7.493 -4.476 9.922 1.00 1.52 H new ATOM 1575 N PHE A 104 -8.621 0.861 5.919 1.00 0.86 N ATOM 1576 CA PHE A 104 -7.607 1.894 6.042 1.00 1.03 C ATOM 1577 C PHE A 104 -8.236 3.219 6.456 1.00 1.11 C ATOM 1578 O PHE A 104 -7.542 4.151 6.839 1.00 1.29 O ATOM 1579 CB PHE A 104 -6.874 2.068 4.708 1.00 1.06 C ATOM 1580 CG PHE A 104 -6.056 0.873 4.302 1.00 1.10 C ATOM 1581 CD1 PHE A 104 -5.486 0.057 5.264 1.00 1.34 C ATOM 1582 CD2 PHE A 104 -5.846 0.573 2.964 1.00 1.24 C ATOM 1583 CE1 PHE A 104 -4.721 -1.036 4.901 1.00 1.40 C ATOM 1584 CE2 PHE A 104 -5.084 -0.518 2.596 1.00 1.35 C ATOM 1585 CZ PHE A 104 -4.568 -1.346 3.539 1.00 1.30 C ATOM 0 H PHE A 104 -9.207 0.948 5.089 1.00 0.86 H new ATOM 0 HA PHE A 104 -6.897 1.589 6.810 1.00 1.03 H new ATOM 0 HB2 PHE A 104 -7.605 2.278 3.927 1.00 1.06 H new ATOM 0 HB3 PHE A 104 -6.220 2.938 4.774 1.00 1.06 H new ATOM 0 HD1 PHE A 104 -5.641 0.277 6.310 1.00 1.34 H new ATOM 0 HD2 PHE A 104 -6.284 1.200 2.201 1.00 1.24 H new ATOM 0 HE1 PHE A 104 -4.246 -1.645 5.656 1.00 1.40 H new ATOM 0 HE2 PHE A 104 -4.897 -0.714 1.550 1.00 1.35 H new ATOM 0 HZ PHE A 104 -4.041 -2.241 3.243 1.00 1.30 H new ATOM 1595 N GLY A 105 -9.561 3.284 6.395 1.00 1.03 N ATOM 1596 CA GLY A 105 -10.254 4.531 6.657 1.00 1.17 C ATOM 1597 C GLY A 105 -10.210 5.463 5.459 1.00 1.18 C ATOM 1598 O GLY A 105 -10.502 6.654 5.571 1.00 1.35 O ATOM 0 H GLY A 105 -10.167 2.496 6.169 1.00 1.03 H new ATOM 0 HA2 GLY A 105 -11.292 4.322 6.917 1.00 1.17 H new ATOM 0 HA3 GLY A 105 -9.802 5.024 7.518 1.00 1.17 H new ATOM 1602 N ILE A 106 -9.829 4.911 4.313 1.00 1.03 N ATOM 1603 CA ILE A 106 -9.736 5.661 3.075 1.00 1.04 C ATOM 1604 C ILE A 106 -11.024 5.543 2.260 1.00 0.98 C ATOM 1605 O ILE A 106 -11.369 4.466 1.772 1.00 0.96 O ATOM 1606 CB ILE A 106 -8.544 5.167 2.237 1.00 0.98 C ATOM 1607 CG1 ILE A 106 -7.255 5.318 3.041 1.00 1.16 C ATOM 1608 CG2 ILE A 106 -8.460 5.943 0.932 1.00 0.98 C ATOM 1609 CD1 ILE A 106 -6.036 4.790 2.328 1.00 1.22 C ATOM 0 H ILE A 106 -9.576 3.927 4.220 1.00 1.03 H new ATOM 0 HA ILE A 106 -9.585 6.709 3.332 1.00 1.04 H new ATOM 0 HB ILE A 106 -8.685 4.113 1.996 1.00 0.98 H new ATOM 0 HG12 ILE A 106 -7.102 6.372 3.273 1.00 1.16 H new ATOM 0 HG13 ILE A 106 -7.365 4.795 3.991 1.00 1.16 H new ATOM 0 HG21 ILE A 106 -7.612 5.583 0.349 1.00 0.98 H new ATOM 0 HG22 ILE A 106 -9.379 5.799 0.363 1.00 0.98 H new ATOM 0 HG23 ILE A 106 -8.329 7.003 1.147 1.00 0.98 H new ATOM 0 HD11 ILE A 106 -5.157 4.930 2.957 1.00 1.22 H new ATOM 0 HD12 ILE A 106 -6.168 3.728 2.120 1.00 1.22 H new ATOM 0 HD13 ILE A 106 -5.901 5.330 1.391 1.00 1.22 H new ATOM 1621 N ASP A 107 -11.733 6.656 2.128 1.00 1.09 N ATOM 1622 CA ASP A 107 -12.969 6.692 1.352 1.00 1.17 C ATOM 1623 C ASP A 107 -12.776 7.547 0.109 1.00 1.10 C ATOM 1624 O ASP A 107 -12.463 8.735 0.203 1.00 1.21 O ATOM 1625 CB ASP A 107 -14.109 7.268 2.192 1.00 1.52 C ATOM 1626 CG ASP A 107 -15.471 7.052 1.556 1.00 1.93 C ATOM 1627 OD1 ASP A 107 -15.732 7.625 0.479 1.00 2.14 O ATOM 1628 OD2 ASP A 107 -16.296 6.321 2.148 1.00 2.60 O ATOM 0 H ASP A 107 -11.474 7.549 2.549 1.00 1.09 H new ATOM 0 HA ASP A 107 -13.223 5.674 1.058 1.00 1.17 H new ATOM 0 HB2 ASP A 107 -14.096 6.807 3.180 1.00 1.52 H new ATOM 0 HB3 ASP A 107 -13.945 8.336 2.337 1.00 1.52 H new ATOM 1633 N MET A 108 -12.960 6.931 -1.052 1.00 0.98 N ATOM 1634 CA MET A 108 -12.770 7.609 -2.330 1.00 0.94 C ATOM 1635 C MET A 108 -13.818 8.688 -2.552 1.00 1.07 C ATOM 1636 O MET A 108 -13.518 9.786 -3.016 1.00 1.20 O ATOM 1637 CB MET A 108 -12.877 6.615 -3.484 1.00 0.87 C ATOM 1638 CG MET A 108 -11.874 5.484 -3.434 1.00 0.96 C ATOM 1639 SD MET A 108 -12.001 4.416 -4.883 1.00 1.72 S ATOM 1640 CE MET A 108 -10.593 3.339 -4.652 1.00 2.07 C ATOM 0 H MET A 108 -13.243 5.955 -1.136 1.00 0.98 H new ATOM 0 HA MET A 108 -11.779 8.061 -2.301 1.00 0.94 H new ATOM 0 HB2 MET A 108 -13.882 6.192 -3.491 1.00 0.87 H new ATOM 0 HB3 MET A 108 -12.752 7.154 -4.423 1.00 0.87 H new ATOM 0 HG2 MET A 108 -10.866 5.894 -3.371 1.00 0.96 H new ATOM 0 HG3 MET A 108 -12.035 4.894 -2.532 1.00 0.96 H new ATOM 0 HE1 MET A 108 -10.218 3.017 -5.623 1.00 2.07 H new ATOM 0 HE2 MET A 108 -9.808 3.876 -4.119 1.00 2.07 H new ATOM 0 HE3 MET A 108 -10.894 2.466 -4.072 1.00 2.07 H new ATOM 1650 N LEU A 109 -15.048 8.358 -2.214 1.00 1.17 N ATOM 1651 CA LEU A 109 -16.189 9.187 -2.567 1.00 1.40 C ATOM 1652 C LEU A 109 -16.408 10.304 -1.552 1.00 1.71 C ATOM 1653 O LEU A 109 -17.209 11.211 -1.778 1.00 2.17 O ATOM 1654 CB LEU A 109 -17.441 8.320 -2.679 1.00 1.57 C ATOM 1655 CG LEU A 109 -17.305 7.103 -3.597 1.00 1.50 C ATOM 1656 CD1 LEU A 109 -18.641 6.402 -3.737 1.00 1.89 C ATOM 1657 CD2 LEU A 109 -16.763 7.506 -4.958 1.00 1.30 C ATOM 0 H LEU A 109 -15.287 7.515 -1.691 1.00 1.17 H new ATOM 0 HA LEU A 109 -15.983 9.655 -3.530 1.00 1.40 H new ATOM 0 HB2 LEU A 109 -17.716 7.975 -1.682 1.00 1.57 H new ATOM 0 HB3 LEU A 109 -18.262 8.939 -3.040 1.00 1.57 H new ATOM 0 HG LEU A 109 -16.594 6.410 -3.147 1.00 1.50 H new ATOM 0 HD11 LEU A 109 -18.532 5.538 -4.392 1.00 1.89 H new ATOM 0 HD12 LEU A 109 -18.984 6.072 -2.756 1.00 1.89 H new ATOM 0 HD13 LEU A 109 -19.370 7.091 -4.163 1.00 1.89 H new ATOM 0 HD21 LEU A 109 -16.676 6.623 -5.591 1.00 1.30 H new ATOM 0 HD22 LEU A 109 -17.442 8.220 -5.423 1.00 1.30 H new ATOM 0 HD23 LEU A 109 -15.781 7.964 -4.838 1.00 1.30 H new ATOM 1669 N HIS A 110 -15.668 10.253 -0.451 1.00 1.70 N ATOM 1670 CA HIS A 110 -15.812 11.228 0.629 1.00 2.08 C ATOM 1671 C HIS A 110 -15.242 12.586 0.218 1.00 2.42 C ATOM 1672 O HIS A 110 -15.285 13.551 0.983 1.00 2.88 O ATOM 1673 CB HIS A 110 -15.119 10.718 1.898 1.00 2.46 C ATOM 1674 CG HIS A 110 -15.636 11.339 3.161 1.00 2.88 C ATOM 1675 ND1 HIS A 110 -14.817 11.873 4.133 1.00 3.40 N ATOM 1676 CD2 HIS A 110 -16.901 11.490 3.616 1.00 3.25 C ATOM 1677 CE1 HIS A 110 -15.558 12.323 5.129 1.00 3.81 C ATOM 1678 NE2 HIS A 110 -16.827 12.105 4.840 1.00 3.69 N ATOM 0 H HIS A 110 -14.957 9.542 -0.280 1.00 1.70 H new ATOM 0 HA HIS A 110 -16.874 11.356 0.836 1.00 2.08 H new ATOM 0 HB2 HIS A 110 -15.243 9.637 1.959 1.00 2.46 H new ATOM 0 HB3 HIS A 110 -14.049 10.913 1.820 1.00 2.46 H new ATOM 0 HD2 HIS A 110 -17.804 11.183 3.109 1.00 3.25 H new ATOM 0 HE1 HIS A 110 -15.188 12.791 6.029 1.00 3.81 H new ATOM 0 HE2 HIS A 110 -17.622 12.353 5.429 1.00 3.69 H new ATOM 1687 N MET A 111 -14.704 12.648 -0.992 1.00 2.65 N ATOM 1688 CA MET A 111 -14.195 13.895 -1.545 1.00 3.48 C ATOM 1689 C MET A 111 -15.100 14.385 -2.673 1.00 3.63 C ATOM 1690 O MET A 111 -14.737 15.290 -3.424 1.00 4.24 O ATOM 1691 CB MET A 111 -12.763 13.713 -2.061 1.00 4.22 C ATOM 1692 CG MET A 111 -11.755 13.363 -0.974 1.00 4.76 C ATOM 1693 SD MET A 111 -10.090 13.100 -1.622 1.00 5.56 S ATOM 1694 CE MET A 111 -10.362 11.686 -2.691 1.00 6.12 C ATOM 0 H MET A 111 -14.609 11.844 -1.613 1.00 2.65 H new ATOM 0 HA MET A 111 -14.186 14.642 -0.751 1.00 3.48 H new ATOM 0 HB2 MET A 111 -12.756 12.927 -2.816 1.00 4.22 H new ATOM 0 HB3 MET A 111 -12.446 14.631 -2.555 1.00 4.22 H new ATOM 0 HG2 MET A 111 -11.730 14.165 -0.236 1.00 4.76 H new ATOM 0 HG3 MET A 111 -12.085 12.463 -0.456 1.00 4.76 H new ATOM 0 HE1 MET A 111 -9.415 11.176 -2.867 1.00 6.12 H new ATOM 0 HE2 MET A 111 -11.061 10.999 -2.215 1.00 6.12 H new ATOM 0 HE3 MET A 111 -10.775 12.023 -3.642 1.00 6.12 H new ATOM 1704 N HIS A 112 -16.284 13.767 -2.781 1.00 3.37 N ATOM 1705 CA HIS A 112 -17.272 14.113 -3.808 1.00 3.76 C ATOM 1706 C HIS A 112 -16.703 13.947 -5.214 1.00 3.53 C ATOM 1707 O HIS A 112 -16.823 14.838 -6.054 1.00 4.16 O ATOM 1708 CB HIS A 112 -17.787 15.545 -3.615 1.00 4.50 C ATOM 1709 CG HIS A 112 -19.162 15.623 -3.020 1.00 5.27 C ATOM 1710 ND1 HIS A 112 -19.912 16.780 -3.016 1.00 5.75 N ATOM 1711 CD2 HIS A 112 -19.927 14.682 -2.415 1.00 6.01 C ATOM 1712 CE1 HIS A 112 -21.075 16.546 -2.438 1.00 6.61 C ATOM 1713 NE2 HIS A 112 -21.109 15.282 -2.066 1.00 6.78 N ATOM 0 H HIS A 112 -16.582 13.015 -2.160 1.00 3.37 H new ATOM 0 HA HIS A 112 -18.107 13.421 -3.696 1.00 3.76 H new ATOM 0 HB2 HIS A 112 -17.093 16.086 -2.972 1.00 4.50 H new ATOM 0 HB3 HIS A 112 -17.790 16.052 -4.580 1.00 4.50 H new ATOM 0 HD2 HIS A 112 -19.656 13.651 -2.240 1.00 6.01 H new ATOM 0 HE1 HIS A 112 -21.865 17.268 -2.294 1.00 6.61 H new ATOM 0 HE2 HIS A 112 -21.889 14.824 -1.594 1.00 6.78 H new ATOM 1722 N GLY A 113 -16.096 12.796 -5.468 1.00 2.99 N ATOM 1723 CA GLY A 113 -15.534 12.524 -6.778 1.00 3.33 C ATOM 1724 C GLY A 113 -16.403 11.581 -7.585 1.00 3.80 C ATOM 1725 O GLY A 113 -15.900 10.707 -8.292 1.00 4.08 O ATOM 0 H GLY A 113 -15.982 12.043 -4.789 1.00 2.99 H new ATOM 0 HA2 GLY A 113 -15.413 13.461 -7.322 1.00 3.33 H new ATOM 0 HA3 GLY A 113 -14.540 12.092 -6.663 1.00 3.33 H new ATOM 1729 N THR A 114 -17.707 11.756 -7.470 1.00 4.30 N ATOM 1730 CA THR A 114 -18.664 10.915 -8.163 1.00 5.21 C ATOM 1731 C THR A 114 -19.981 11.666 -8.308 1.00 5.66 C ATOM 1732 O THR A 114 -20.154 12.681 -7.599 1.00 6.13 O ATOM 1733 CB THR A 114 -18.891 9.578 -7.416 1.00 5.98 C ATOM 1734 OG1 THR A 114 -19.750 8.720 -8.178 1.00 6.34 O ATOM 1735 CG2 THR A 114 -19.502 9.814 -6.040 1.00 6.29 C ATOM 1736 OXT THR A 114 -20.831 11.250 -9.126 1.00 5.90 O ATOM 0 H THR A 114 -18.131 12.484 -6.895 1.00 4.30 H new ATOM 0 HA THR A 114 -18.264 10.676 -9.148 1.00 5.21 H new ATOM 0 HB THR A 114 -17.920 9.100 -7.289 1.00 5.98 H new ATOM 0 HG1 THR A 114 -20.383 9.264 -8.691 1.00 6.34 H new ATOM 0 HG21 THR A 114 -19.650 8.857 -5.539 1.00 6.29 H new ATOM 0 HG22 THR A 114 -18.832 10.435 -5.446 1.00 6.29 H new ATOM 0 HG23 THR A 114 -20.462 10.319 -6.150 1.00 6.29 H new TER 1744 THR A 114 HETATM 1745 ZN ZN A 124 10.628 4.852 2.910 1.00 0.64 ZN