USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 116 SER OG : rot 126:sc= -2.03! USER MOD Set 1.2: A 122 TYR OH : rot 168:sc= 0.244 USER MOD Set 2.1: A 100 GLN : amide:sc= -0.256 X(o=-0.69,f=-0.59) USER MOD Set 2.2: A 102 LYS NZ :NH3+ -172:sc= -0.434 (180deg=-0.587) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.42 K(o=-4.5,f=-7.2) USER MOD Set 3.2: A 105 MET CE :methyl -161:sc= -3.09 (180deg=-5.54!) USER MOD Single : A 3 SER OG : rot -29:sc= 0.405 USER MOD Single : A 9 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -3.51! USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -170:sc= -0.641 USER MOD Single : A 26 GLN : amide:sc= -0.0193 K(o=-0.019,f=-1.3) USER MOD Single : A 29 THR OG1 : rot -120:sc= -0.247 USER MOD Single : A 33 GLN : amide:sc= -4.74! C(o=-4.7!,f=-10!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 MET CE :methyl -166:sc= -0.101 (180deg=-0.565) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.407 USER MOD Single : A 52 HIS : no HD1:sc= -6.02! C(o=-6!,f=-6.7!) USER MOD Single : A 55 ASN : amide:sc= -12.3! C(o=-12!,f=-18!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -27:sc= 1.58 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 66 ASN : amide:sc= -5.44! K(o=-5.4!,f=-1.1) USER MOD Single : A 69 SER OG : rot 170:sc= -0.117 USER MOD Single : A 74 CYS SG : rot 72:sc= -0.976 USER MOD Single : A 89 CYS SG : rot 89:sc= 0.00565 USER MOD Single : A 91 GLN : amide:sc= -0.894 K(o=-0.89,f=-2.2) USER MOD Single : A 98 SER OG : rot -33:sc= 0.483 USER MOD Single : A 107 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.4) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 MET CE :methyl -177:sc= -7.33! (180deg=-8.16!) USER MOD Single : A 114 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-4.4!) USER MOD Single : A 118 HIS : no HD1:sc= -0.98 X(o=-0.98,f=-0.69) USER MOD Single : A 124 HIS : no HD1:sc= -2.55! X(o=-2.5!,f=-2.5) USER MOD Single : A 133 MET CE :methyl -156:sc= -2.51 (180deg=-5.82!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 141 MET CE :methyl -144:sc= -11.6! (180deg=-13.1!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 4.924 5.808 -15.794 1.00 1.94 N ATOM 2 CA SER A 3 4.881 6.560 -14.512 1.00 1.63 C ATOM 3 C SER A 3 4.455 5.660 -13.357 1.00 1.31 C ATOM 4 O SER A 3 4.127 4.490 -13.555 1.00 1.66 O ATOM 5 CB SER A 3 3.900 7.725 -14.662 1.00 1.81 C ATOM 6 OG SER A 3 2.720 7.315 -15.331 1.00 2.13 O ATOM 0 HA SER A 3 5.879 6.935 -14.285 1.00 1.63 H new ATOM 0 HB2 SER A 3 3.646 8.119 -13.678 1.00 1.81 H new ATOM 0 HB3 SER A 3 4.374 8.535 -15.217 1.00 1.81 H new ATOM 0 HG SER A 3 2.931 6.581 -15.946 1.00 2.13 H new ATOM 12 N VAL A 4 4.462 6.214 -12.148 1.00 1.30 N ATOM 13 CA VAL A 4 4.073 5.460 -10.962 1.00 1.06 C ATOM 14 C VAL A 4 2.559 5.491 -10.772 1.00 0.93 C ATOM 15 O VAL A 4 2.009 6.440 -10.215 1.00 1.44 O ATOM 16 CB VAL A 4 4.775 5.995 -9.692 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.472 7.471 -9.471 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.383 5.175 -8.469 1.00 2.29 C ATOM 0 H VAL A 4 4.732 7.180 -11.965 1.00 1.30 H new ATOM 0 HA VAL A 4 4.390 4.429 -11.117 1.00 1.06 H new ATOM 0 HB VAL A 4 5.850 5.894 -9.842 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.980 7.816 -8.571 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.822 8.047 -10.328 1.00 1.82 H new ATOM 0 HG13 VAL A 4 3.397 7.608 -9.356 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.889 5.570 -7.588 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.304 5.232 -8.323 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.675 4.136 -8.619 1.00 2.29 H new ATOM 22 N LEU A 5 1.890 4.444 -11.243 1.00 0.94 N ATOM 23 CA LEU A 5 0.440 4.349 -11.130 1.00 1.34 C ATOM 24 C LEU A 5 0.040 3.713 -9.803 1.00 1.09 C ATOM 25 O LEU A 5 0.394 2.570 -9.518 1.00 1.34 O ATOM 26 CB LEU A 5 -0.132 3.536 -12.293 1.00 2.05 C ATOM 27 CG LEU A 5 -1.447 4.066 -12.868 1.00 2.97 C ATOM 28 CD1 LEU A 5 -1.220 5.387 -13.586 1.00 3.92 C ATOM 29 CD2 LEU A 5 -2.065 3.044 -13.809 1.00 3.33 C ATOM 0 H LEU A 5 2.330 3.649 -11.707 1.00 0.94 H new ATOM 0 HA LEU A 5 0.030 5.358 -11.167 1.00 1.34 H new ATOM 0 HB2 LEU A 5 0.609 3.502 -13.092 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.287 2.510 -11.958 1.00 2.05 H new ATOM 0 HG LEU A 5 -2.140 4.238 -12.045 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -2.166 5.749 -13.989 1.00 3.92 H new ATOM 0 HD12 LEU A 5 -0.820 6.119 -12.884 1.00 3.92 H new ATOM 0 HD13 LEU A 5 -0.511 5.241 -14.401 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -3.000 3.437 -14.209 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.376 2.841 -14.629 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.263 2.121 -13.264 1.00 3.33 H new ATOM 35 N VAL A 6 -0.699 4.461 -8.993 1.00 0.88 N ATOM 36 CA VAL A 6 -1.144 3.967 -7.698 1.00 0.75 C ATOM 37 C VAL A 6 -2.654 4.102 -7.550 1.00 0.75 C ATOM 38 O VAL A 6 -3.297 4.818 -8.316 1.00 1.03 O ATOM 39 CB VAL A 6 -0.449 4.712 -6.544 1.00 0.94 C ATOM 40 CG1 VAL A 6 1.053 4.491 -6.603 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.779 6.198 -6.588 1.00 1.02 C ATOM 0 H VAL A 6 -1.002 5.410 -9.210 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.873 2.912 -7.649 1.00 0.75 H new ATOM 0 HB VAL A 6 -0.819 4.312 -5.600 1.00 0.94 H new ATOM 0 HG11 VAL A 6 1.532 5.024 -5.781 1.00 1.26 H new ATOM 0 HG12 VAL A 6 1.268 3.426 -6.519 1.00 1.26 H new ATOM 0 HG13 VAL A 6 1.439 4.865 -7.551 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.278 6.706 -5.764 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -0.439 6.618 -7.534 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -1.857 6.334 -6.497 1.00 1.02 H new ATOM 45 N ASP A 7 -3.218 3.410 -6.566 1.00 0.72 N ATOM 46 CA ASP A 7 -4.658 3.465 -6.338 1.00 0.83 C ATOM 47 C ASP A 7 -5.006 3.210 -4.875 1.00 0.75 C ATOM 48 O ASP A 7 -4.525 2.257 -4.267 1.00 0.99 O ATOM 49 CB ASP A 7 -5.371 2.442 -7.225 1.00 1.02 C ATOM 50 CG ASP A 7 -6.824 2.798 -7.464 1.00 1.78 C ATOM 51 OD1 ASP A 7 -7.182 3.984 -7.299 1.00 2.33 O ATOM 52 OD2 ASP A 7 -7.607 1.891 -7.819 1.00 2.52 O ATOM 0 H ASP A 7 -2.706 2.810 -5.919 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.995 4.469 -6.595 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.855 2.373 -8.182 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.313 1.458 -6.759 1.00 1.02 H new ATOM 57 N LEU A 8 -5.864 4.064 -4.324 1.00 0.63 N ATOM 58 CA LEU A 8 -6.301 3.927 -2.938 1.00 0.74 C ATOM 59 C LEU A 8 -7.802 3.658 -2.887 1.00 0.59 C ATOM 60 O LEU A 8 -8.608 4.578 -2.753 1.00 0.79 O ATOM 61 CB LEU A 8 -5.959 5.182 -2.116 1.00 1.20 C ATOM 62 CG LEU A 8 -5.784 6.487 -2.906 1.00 0.83 C ATOM 63 CD1 LEU A 8 -4.543 6.427 -3.787 1.00 1.78 C ATOM 64 CD2 LEU A 8 -7.022 6.789 -3.737 1.00 1.52 C ATOM 0 H LEU A 8 -6.271 4.859 -4.817 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.769 3.083 -2.498 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -6.747 5.332 -1.378 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -5.038 4.990 -1.565 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.651 7.298 -2.190 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -4.441 7.363 -4.336 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -3.662 6.274 -3.164 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -4.637 5.601 -4.492 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -6.873 7.718 -4.287 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -7.196 5.975 -4.440 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -7.885 6.891 -3.080 1.00 1.52 H new ATOM 70 N GLN A 9 -8.168 2.387 -3.013 1.00 0.65 N ATOM 71 CA GLN A 9 -9.572 1.991 -3.004 1.00 0.80 C ATOM 72 C GLN A 9 -10.077 1.717 -1.590 1.00 0.79 C ATOM 73 O GLN A 9 -9.476 0.947 -0.841 1.00 0.81 O ATOM 74 CB GLN A 9 -9.764 0.750 -3.878 1.00 1.03 C ATOM 75 CG GLN A 9 -11.184 0.568 -4.388 1.00 1.27 C ATOM 76 CD GLN A 9 -11.231 -0.001 -5.794 1.00 1.82 C ATOM 77 OE1 GLN A 9 -12.055 0.405 -6.613 1.00 2.23 O ATOM 78 NE2 GLN A 9 -10.343 -0.946 -6.081 1.00 2.59 N ATOM 0 H GLN A 9 -7.512 1.613 -3.123 1.00 0.65 H new ATOM 0 HA GLN A 9 -10.155 2.820 -3.406 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -9.087 0.810 -4.730 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -9.478 -0.133 -3.306 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -11.726 -0.095 -3.714 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -11.698 1.529 -4.372 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -9.678 -1.253 -5.371 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -10.326 -1.365 -7.011 1.00 2.59 H new ATOM 85 N ILE A 10 -11.197 2.345 -1.237 1.00 0.83 N ATOM 86 CA ILE A 10 -11.802 2.161 0.077 1.00 0.86 C ATOM 87 C ILE A 10 -13.124 1.404 -0.054 1.00 1.02 C ATOM 88 O ILE A 10 -13.986 1.779 -0.849 1.00 1.23 O ATOM 89 CB ILE A 10 -12.034 3.521 0.793 1.00 0.96 C ATOM 90 CG1 ILE A 10 -11.563 3.461 2.254 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.498 3.947 0.726 1.00 1.28 C ATOM 92 CD1 ILE A 10 -11.934 2.179 2.971 1.00 1.19 C ATOM 0 H ILE A 10 -11.704 2.987 -1.846 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.111 1.577 0.684 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.441 4.269 0.267 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -10.480 3.579 2.280 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -11.989 4.305 2.797 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.623 4.902 1.237 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.799 4.051 -0.316 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -14.119 3.193 1.210 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -11.566 2.216 3.996 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -13.018 2.067 2.979 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.485 1.330 2.455 1.00 1.19 H new ATOM 96 N ALA A 11 -13.274 0.335 0.717 1.00 0.97 N ATOM 97 CA ALA A 11 -14.489 -0.469 0.670 1.00 1.15 C ATOM 98 C ALA A 11 -15.368 -0.220 1.894 1.00 1.15 C ATOM 99 O ALA A 11 -15.691 -1.143 2.642 1.00 1.32 O ATOM 100 CB ALA A 11 -14.131 -1.943 0.551 1.00 1.30 C ATOM 0 H ALA A 11 -12.573 0.005 1.380 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.063 -0.173 -0.208 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.044 -2.538 0.516 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -13.557 -2.106 -0.361 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -13.535 -2.243 1.413 1.00 1.30 H new ATOM 106 N THR A 12 -15.753 1.036 2.089 1.00 1.10 N ATOM 107 CA THR A 12 -16.595 1.413 3.219 1.00 1.29 C ATOM 108 C THR A 12 -17.798 2.229 2.753 1.00 1.72 C ATOM 109 O THR A 12 -17.710 2.975 1.777 1.00 2.07 O ATOM 110 CB THR A 12 -15.785 2.218 4.237 1.00 1.15 C ATOM 111 OG1 THR A 12 -14.654 2.810 3.622 1.00 1.78 O ATOM 112 CG2 THR A 12 -15.292 1.390 5.403 1.00 1.29 C ATOM 0 H THR A 12 -15.495 1.812 1.479 1.00 1.10 H new ATOM 0 HA THR A 12 -16.958 0.500 3.691 1.00 1.29 H new ATOM 0 HB THR A 12 -16.471 2.975 4.616 1.00 1.15 H new ATOM 0 HG1 THR A 12 -14.150 3.322 4.288 1.00 1.78 H new ATOM 0 HG21 THR A 12 -14.726 2.024 6.085 1.00 1.29 H new ATOM 0 HG22 THR A 12 -16.144 0.960 5.930 1.00 1.29 H new ATOM 0 HG23 THR A 12 -14.651 0.589 5.035 1.00 1.29 H new ATOM 117 N GLU A 13 -18.914 2.096 3.463 1.00 2.10 N ATOM 118 CA GLU A 13 -20.125 2.836 3.122 1.00 2.62 C ATOM 119 C GLU A 13 -19.859 4.336 3.186 1.00 2.49 C ATOM 120 O GLU A 13 -20.111 5.066 2.227 1.00 2.85 O ATOM 121 CB GLU A 13 -21.264 2.464 4.073 1.00 3.24 C ATOM 122 CG GLU A 13 -22.571 3.178 3.764 1.00 3.89 C ATOM 123 CD GLU A 13 -23.538 2.310 2.983 1.00 4.72 C ATOM 124 OE1 GLU A 13 -23.166 1.846 1.884 1.00 5.27 O ATOM 125 OE2 GLU A 13 -24.668 2.094 3.470 1.00 5.17 O ATOM 0 H GLU A 13 -19.005 1.485 4.275 1.00 2.10 H new ATOM 0 HA GLU A 13 -20.419 2.572 2.106 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -21.428 1.387 4.027 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -20.964 2.698 5.095 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -23.040 3.489 4.697 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -22.361 4.084 3.195 1.00 3.89 H new ATOM 132 N ASN A 14 -19.331 4.781 4.320 1.00 2.26 N ATOM 133 CA ASN A 14 -19.005 6.188 4.517 1.00 2.51 C ATOM 134 C ASN A 14 -17.498 6.389 4.398 1.00 1.99 C ATOM 135 O ASN A 14 -16.804 5.562 3.807 1.00 1.78 O ATOM 136 CB ASN A 14 -19.504 6.663 5.884 1.00 3.10 C ATOM 137 CG ASN A 14 -20.931 6.231 6.162 1.00 3.79 C ATOM 138 OD1 ASN A 14 -21.883 6.840 5.673 1.00 4.30 O ATOM 139 ND2 ASN A 14 -21.086 5.175 6.952 1.00 4.18 N ATOM 0 H ASN A 14 -19.119 4.185 5.120 1.00 2.26 H new ATOM 0 HA ASN A 14 -19.501 6.780 3.748 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -18.850 6.270 6.663 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -19.440 7.750 5.933 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -22.023 4.838 7.175 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -20.269 4.701 7.335 1.00 4.18 H new ATOM 144 N ILE A 15 -16.984 7.481 4.958 1.00 2.45 N ATOM 145 CA ILE A 15 -15.555 7.750 4.895 1.00 2.24 C ATOM 146 C ILE A 15 -14.919 7.747 6.280 1.00 1.60 C ATOM 147 O ILE A 15 -15.309 8.507 7.167 1.00 1.92 O ATOM 148 CB ILE A 15 -15.243 9.092 4.191 1.00 3.00 C ATOM 149 CG1 ILE A 15 -15.059 8.870 2.688 1.00 2.89 C ATOM 150 CG2 ILE A 15 -13.992 9.735 4.779 1.00 3.77 C ATOM 151 CD1 ILE A 15 -15.767 9.898 1.835 1.00 3.61 C ATOM 0 H ILE A 15 -17.530 8.185 5.454 1.00 2.45 H new ATOM 0 HA ILE A 15 -15.124 6.942 4.305 1.00 2.24 H new ATOM 0 HB ILE A 15 -16.085 9.765 4.352 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -13.995 8.886 2.454 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -15.427 7.878 2.428 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -13.793 10.677 4.268 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -14.145 9.924 5.842 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -13.143 9.065 4.648 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -15.593 9.679 0.782 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -16.837 9.867 2.040 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -15.382 10.891 2.067 1.00 3.61 H new ATOM 155 N GLU A 16 -13.912 6.905 6.428 1.00 1.45 N ATOM 156 CA GLU A 16 -13.160 6.790 7.668 1.00 1.67 C ATOM 157 C GLU A 16 -11.691 6.624 7.320 1.00 1.94 C ATOM 158 O GLU A 16 -10.988 5.779 7.875 1.00 2.67 O ATOM 159 CB GLU A 16 -13.657 5.610 8.503 1.00 2.11 C ATOM 160 CG GLU A 16 -14.093 4.411 7.676 1.00 3.11 C ATOM 161 CD GLU A 16 -15.593 4.367 7.463 1.00 3.84 C ATOM 162 OE1 GLU A 16 -16.331 4.242 8.463 1.00 4.53 O ATOM 163 OE2 GLU A 16 -16.030 4.457 6.297 1.00 4.13 O ATOM 0 H GLU A 16 -13.590 6.279 5.690 1.00 1.45 H new ATOM 0 HA GLU A 16 -13.300 7.689 8.268 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -12.865 5.300 9.184 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -14.495 5.939 9.117 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -13.593 4.440 6.708 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -13.773 3.495 8.173 1.00 3.11 H new ATOM 170 N GLY A 17 -11.256 7.435 6.364 1.00 1.95 N ATOM 171 CA GLY A 17 -9.890 7.390 5.889 1.00 2.86 C ATOM 172 C GLY A 17 -9.803 7.783 4.425 1.00 2.74 C ATOM 173 O GLY A 17 -9.016 8.656 4.059 1.00 3.16 O ATOM 0 H GLY A 17 -11.838 8.134 5.903 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -9.273 8.062 6.486 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -9.489 6.385 6.023 1.00 2.86 H new ATOM 177 N LEU A 18 -10.630 7.142 3.589 1.00 2.64 N ATOM 178 CA LEU A 18 -10.668 7.426 2.152 1.00 2.63 C ATOM 179 C LEU A 18 -10.561 8.924 1.877 1.00 2.01 C ATOM 180 O LEU A 18 -11.551 9.651 1.949 1.00 2.22 O ATOM 181 CB LEU A 18 -11.964 6.885 1.543 1.00 3.46 C ATOM 182 CG LEU A 18 -12.241 7.320 0.101 1.00 3.97 C ATOM 183 CD1 LEU A 18 -11.224 6.706 -0.848 1.00 4.46 C ATOM 184 CD2 LEU A 18 -13.656 6.939 -0.308 1.00 4.91 C ATOM 0 H LEU A 18 -11.285 6.419 3.887 1.00 2.64 H new ATOM 0 HA LEU A 18 -9.812 6.931 1.693 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -11.935 5.796 1.577 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -12.799 7.202 2.167 1.00 3.46 H new ATOM 0 HG LEU A 18 -12.148 8.405 0.045 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -11.438 7.027 -1.868 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -10.222 7.031 -0.568 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -11.282 5.619 -0.790 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -13.836 7.256 -1.335 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -13.777 5.858 -0.235 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -14.370 7.430 0.353 1.00 4.91 H new ATOM 190 N PRO A 19 -9.348 9.404 1.573 1.00 1.58 N ATOM 191 CA PRO A 19 -9.088 10.805 1.302 1.00 1.46 C ATOM 192 C PRO A 19 -8.991 11.098 -0.193 1.00 1.48 C ATOM 193 O PRO A 19 -9.446 10.306 -1.019 1.00 2.32 O ATOM 194 CB PRO A 19 -7.734 10.963 1.974 1.00 1.63 C ATOM 195 CG PRO A 19 -7.028 9.680 1.660 1.00 1.84 C ATOM 196 CD PRO A 19 -8.103 8.627 1.483 1.00 1.84 C ATOM 0 HA PRO A 19 -9.868 11.479 1.655 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -7.192 11.824 1.584 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.836 11.111 3.049 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -6.429 9.779 0.754 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -6.346 9.406 2.465 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -8.014 8.117 0.524 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -8.049 7.861 2.257 1.00 1.84 H new ATOM 204 N THR A 20 -8.388 12.232 -0.537 1.00 1.19 N ATOM 205 CA THR A 20 -8.226 12.612 -1.935 1.00 1.25 C ATOM 206 C THR A 20 -6.966 11.984 -2.521 1.00 1.21 C ATOM 207 O THR A 20 -5.882 12.095 -1.951 1.00 1.19 O ATOM 208 CB THR A 20 -8.163 14.134 -2.069 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.017 14.648 -1.414 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.374 14.836 -1.494 1.00 2.03 C ATOM 0 H THR A 20 -8.005 12.901 0.131 1.00 1.19 H new ATOM 0 HA THR A 20 -9.089 12.244 -2.491 1.00 1.25 H new ATOM 0 HB THR A 20 -8.126 14.328 -3.141 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.074 15.625 -1.373 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.265 15.913 -1.622 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.271 14.498 -2.013 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.459 14.603 -0.433 1.00 2.03 H new ATOM 215 N GLU A 21 -7.117 11.320 -3.662 1.00 1.30 N ATOM 216 CA GLU A 21 -5.994 10.670 -4.327 1.00 1.28 C ATOM 217 C GLU A 21 -4.923 11.681 -4.714 1.00 1.19 C ATOM 218 O GLU A 21 -3.737 11.456 -4.484 1.00 1.10 O ATOM 219 CB GLU A 21 -6.478 9.916 -5.565 1.00 1.44 C ATOM 220 CG GLU A 21 -7.260 10.781 -6.541 1.00 1.56 C ATOM 221 CD GLU A 21 -7.747 10.003 -7.748 1.00 1.94 C ATOM 222 OE1 GLU A 21 -6.899 9.553 -8.546 1.00 2.54 O ATOM 223 OE2 GLU A 21 -8.978 9.845 -7.894 1.00 2.04 O ATOM 0 H GLU A 21 -8.009 11.218 -4.146 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.552 9.961 -3.627 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.617 9.490 -6.080 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -7.105 9.082 -5.250 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.115 11.220 -6.027 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -6.631 11.606 -6.875 1.00 1.56 H new ATOM 230 N GLU A 22 -5.343 12.797 -5.300 1.00 1.24 N ATOM 231 CA GLU A 22 -4.404 13.836 -5.710 1.00 1.18 C ATOM 232 C GLU A 22 -3.459 14.187 -4.565 1.00 1.05 C ATOM 233 O GLU A 22 -2.237 14.135 -4.714 1.00 0.99 O ATOM 234 CB GLU A 22 -5.159 15.086 -6.167 1.00 1.26 C ATOM 235 CG GLU A 22 -5.880 14.911 -7.494 1.00 1.93 C ATOM 236 CD GLU A 22 -5.302 15.783 -8.592 1.00 2.47 C ATOM 237 OE1 GLU A 22 -5.178 17.007 -8.375 1.00 3.23 O ATOM 238 OE2 GLU A 22 -4.970 15.240 -9.667 1.00 2.76 O ATOM 0 H GLU A 22 -6.321 13.005 -5.501 1.00 1.24 H new ATOM 0 HA GLU A 22 -3.815 13.455 -6.544 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -5.885 15.361 -5.402 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -4.456 15.914 -6.252 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -5.824 13.866 -7.798 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -6.936 15.149 -7.364 1.00 1.93 H new ATOM 245 N GLN A 23 -4.037 14.532 -3.419 1.00 1.02 N ATOM 246 CA GLN A 23 -3.253 14.884 -2.242 1.00 0.93 C ATOM 247 C GLN A 23 -2.350 13.730 -1.824 1.00 0.82 C ATOM 248 O GLN A 23 -1.127 13.840 -1.874 1.00 0.77 O ATOM 249 CB GLN A 23 -4.178 15.268 -1.085 1.00 0.99 C ATOM 250 CG GLN A 23 -3.441 15.812 0.128 1.00 0.97 C ATOM 251 CD GLN A 23 -4.286 15.778 1.386 1.00 1.14 C ATOM 252 OE1 GLN A 23 -4.924 14.771 1.693 1.00 2.08 O ATOM 253 NE2 GLN A 23 -4.295 16.883 2.124 1.00 1.09 N ATOM 0 H GLN A 23 -5.047 14.575 -3.281 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.625 15.738 -2.496 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -4.890 16.016 -1.433 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -4.756 14.393 -0.787 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -2.533 15.230 0.288 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -3.131 16.838 -0.070 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -3.751 17.695 1.833 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -4.845 16.919 2.982 1.00 1.09 H new ATOM 260 N ILE A 24 -2.961 12.621 -1.414 1.00 0.83 N ATOM 261 CA ILE A 24 -2.210 11.444 -0.987 1.00 0.74 C ATOM 262 C ILE A 24 -1.198 11.019 -2.045 1.00 0.69 C ATOM 263 O ILE A 24 0.013 11.072 -1.823 1.00 0.67 O ATOM 264 CB ILE A 24 -3.148 10.254 -0.690 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.194 10.636 0.361 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.348 9.045 -0.223 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.652 11.486 1.489 1.00 1.43 C ATOM 0 H ILE A 24 -3.974 12.513 -1.369 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.684 11.724 -0.074 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.666 9.993 -1.613 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -5.006 11.175 -0.128 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.623 9.725 0.780 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -3.026 8.217 -0.019 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.643 8.753 -1.001 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.802 9.299 0.685 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.454 11.714 2.191 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -2.861 10.943 2.006 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.250 12.415 1.084 1.00 1.43 H new ATOM 271 N VAL A 25 -1.708 10.592 -3.195 1.00 0.77 N ATOM 272 CA VAL A 25 -0.863 10.147 -4.296 1.00 0.77 C ATOM 273 C VAL A 25 0.282 11.124 -4.549 1.00 0.74 C ATOM 274 O VAL A 25 1.450 10.740 -4.508 1.00 0.73 O ATOM 275 CB VAL A 25 -1.680 9.973 -5.591 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.802 9.456 -6.720 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.856 9.035 -5.358 1.00 1.45 C ATOM 0 H VAL A 25 -2.708 10.545 -3.389 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.446 9.183 -4.006 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.068 10.949 -5.882 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.401 9.341 -7.623 1.00 0.85 H new ATOM 0 HG12 VAL A 25 0.005 10.165 -6.907 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.380 8.491 -6.440 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.422 8.924 -6.283 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.486 8.060 -5.039 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.503 9.448 -4.584 1.00 1.45 H new ATOM 281 N GLN A 26 -0.055 12.385 -4.807 1.00 0.76 N ATOM 282 CA GLN A 26 0.959 13.404 -5.064 1.00 0.77 C ATOM 283 C GLN A 26 1.892 13.561 -3.867 1.00 0.72 C ATOM 284 O GLN A 26 3.112 13.516 -4.006 1.00 0.71 O ATOM 285 CB GLN A 26 0.299 14.746 -5.389 1.00 0.85 C ATOM 286 CG GLN A 26 1.251 15.758 -6.006 1.00 0.94 C ATOM 287 CD GLN A 26 0.527 16.952 -6.597 1.00 1.33 C ATOM 288 OE1 GLN A 26 -0.701 16.967 -6.687 1.00 1.72 O ATOM 289 NE2 GLN A 26 1.288 17.962 -7.005 1.00 2.19 N ATOM 0 H GLN A 26 -1.016 12.724 -4.844 1.00 0.76 H new ATOM 0 HA GLN A 26 1.549 13.081 -5.922 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.532 14.577 -6.074 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.122 15.165 -4.475 1.00 0.85 H new ATOM 0 HG2 GLN A 26 1.952 16.102 -5.246 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.838 15.271 -6.785 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.302 17.907 -6.911 1.00 2.19 H new ATOM 0 HE22 GLN A 26 0.858 18.793 -7.412 1.00 2.19 H new ATOM 296 N TRP A 27 1.315 13.750 -2.688 1.00 0.74 N ATOM 297 CA TRP A 27 2.105 13.919 -1.474 1.00 0.76 C ATOM 298 C TRP A 27 3.137 12.802 -1.329 1.00 0.69 C ATOM 299 O TRP A 27 4.344 13.054 -1.318 1.00 0.67 O ATOM 300 CB TRP A 27 1.172 13.952 -0.253 1.00 0.92 C ATOM 301 CG TRP A 27 1.835 13.596 1.046 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.697 12.428 1.740 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.729 14.413 1.810 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.451 12.468 2.887 1.00 1.02 N ATOM 305 CE2 TRP A 27 3.095 13.675 2.953 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.259 15.696 1.640 1.00 0.89 C ATOM 307 CZ2 TRP A 27 3.963 14.177 3.919 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.122 16.192 2.600 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.466 15.434 3.726 1.00 0.87 C ATOM 0 H TRP A 27 0.306 13.790 -2.546 1.00 0.74 H new ATOM 0 HA TRP A 27 2.646 14.863 -1.539 1.00 0.76 H new ATOM 0 HB2 TRP A 27 0.743 14.950 -0.166 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.345 13.264 -0.425 1.00 0.92 H new ATOM 0 HD1 TRP A 27 1.084 11.594 1.432 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.520 11.720 3.577 1.00 1.02 H new ATOM 0 HE3 TRP A 27 2.999 16.288 0.775 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.229 13.595 4.789 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.538 17.181 2.479 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.143 15.851 4.457 1.00 0.87 H new ATOM 320 N ALA A 28 2.659 11.568 -1.220 1.00 0.70 N ATOM 321 CA ALA A 28 3.547 10.423 -1.065 1.00 0.72 C ATOM 322 C ALA A 28 4.152 9.980 -2.393 1.00 0.68 C ATOM 323 O ALA A 28 5.325 10.239 -2.672 1.00 0.73 O ATOM 324 CB ALA A 28 2.801 9.267 -0.414 1.00 0.78 C ATOM 0 H ALA A 28 1.666 11.336 -1.236 1.00 0.70 H new ATOM 0 HA ALA A 28 4.370 10.733 -0.421 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.474 8.417 -0.303 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.439 9.574 0.567 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.955 8.981 -1.040 1.00 0.78 H new ATOM 330 N THR A 29 3.356 9.288 -3.198 1.00 0.63 N ATOM 331 CA THR A 29 3.824 8.782 -4.483 1.00 0.67 C ATOM 332 C THR A 29 4.314 9.898 -5.404 1.00 0.64 C ATOM 333 O THR A 29 5.158 9.666 -6.269 1.00 0.72 O ATOM 334 CB THR A 29 2.730 7.968 -5.172 1.00 0.69 C ATOM 335 OG1 THR A 29 1.543 7.954 -4.397 1.00 1.02 O ATOM 336 CG2 THR A 29 3.142 6.534 -5.412 1.00 0.74 C ATOM 0 H THR A 29 2.384 9.064 -2.985 1.00 0.63 H new ATOM 0 HA THR A 29 4.676 8.134 -4.278 1.00 0.67 H new ATOM 0 HB THR A 29 2.557 8.455 -6.132 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.316 7.030 -4.163 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.329 5.999 -5.904 1.00 0.74 H new ATOM 0 HG22 THR A 29 4.028 6.511 -6.047 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.367 6.056 -4.459 1.00 0.74 H new ATOM 341 N GLY A 30 3.797 11.106 -5.219 1.00 0.60 N ATOM 342 CA GLY A 30 4.223 12.213 -6.055 1.00 0.64 C ATOM 343 C GLY A 30 5.626 12.666 -5.710 1.00 0.66 C ATOM 344 O GLY A 30 6.417 12.985 -6.598 1.00 0.72 O ATOM 0 H GLY A 30 3.098 11.338 -4.513 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.184 11.914 -7.103 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.531 13.047 -5.935 1.00 0.64 H new ATOM 348 N ALA A 31 5.939 12.688 -4.417 1.00 0.65 N ATOM 349 CA ALA A 31 7.262 13.099 -3.966 1.00 0.73 C ATOM 350 C ALA A 31 8.328 12.090 -4.393 1.00 0.75 C ATOM 351 O ALA A 31 9.511 12.420 -4.461 1.00 0.83 O ATOM 352 CB ALA A 31 7.272 13.273 -2.454 1.00 0.82 C ATOM 0 H ALA A 31 5.297 12.427 -3.668 1.00 0.65 H new ATOM 0 HA ALA A 31 7.498 14.055 -4.433 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.266 13.580 -2.130 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.546 14.035 -2.171 1.00 0.82 H new ATOM 0 HB3 ALA A 31 7.011 12.328 -1.977 1.00 0.82 H new ATOM 358 N VAL A 32 7.906 10.856 -4.671 1.00 0.76 N ATOM 359 CA VAL A 32 8.836 9.807 -5.082 1.00 0.87 C ATOM 360 C VAL A 32 8.998 9.740 -6.599 1.00 0.91 C ATOM 361 O VAL A 32 9.952 9.141 -7.097 1.00 1.03 O ATOM 362 CB VAL A 32 8.400 8.426 -4.556 1.00 1.04 C ATOM 363 CG1 VAL A 32 7.007 8.085 -5.046 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.397 7.352 -4.969 1.00 1.23 C ATOM 0 H VAL A 32 6.931 10.561 -4.619 1.00 0.76 H new ATOM 0 HA VAL A 32 9.799 10.070 -4.643 1.00 0.87 H new ATOM 0 HB VAL A 32 8.378 8.466 -3.467 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.716 7.106 -4.664 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.302 8.837 -4.691 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.999 8.066 -6.136 1.00 1.07 H new ATOM 0 HG21 VAL A 32 9.069 6.385 -4.587 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.458 7.311 -6.057 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.379 7.590 -4.560 1.00 1.23 H new ATOM 368 N GLN A 33 8.072 10.345 -7.334 1.00 0.90 N ATOM 369 CA GLN A 33 8.140 10.331 -8.792 1.00 1.04 C ATOM 370 C GLN A 33 8.142 11.746 -9.377 1.00 1.07 C ATOM 371 O GLN A 33 7.449 12.019 -10.358 1.00 1.22 O ATOM 372 CB GLN A 33 6.979 9.518 -9.366 1.00 1.22 C ATOM 373 CG GLN A 33 7.420 8.206 -9.998 1.00 1.37 C ATOM 374 CD GLN A 33 7.771 7.150 -8.968 1.00 1.19 C ATOM 375 OE1 GLN A 33 7.009 6.898 -8.035 1.00 1.67 O ATOM 376 NE2 GLN A 33 8.932 6.528 -9.132 1.00 1.88 N ATOM 0 H GLN A 33 7.272 10.847 -6.950 1.00 0.90 H new ATOM 0 HA GLN A 33 9.082 9.860 -9.075 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.263 9.308 -8.571 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.459 10.117 -10.114 1.00 1.22 H new ATOM 0 HG2 GLN A 33 6.623 7.831 -10.640 1.00 1.37 H new ATOM 0 HG3 GLN A 33 8.285 8.387 -10.636 1.00 1.37 H new ATOM 0 HE21 GLN A 33 9.533 6.769 -9.920 1.00 1.88 H new ATOM 0 HE22 GLN A 33 9.223 5.809 -8.470 1.00 1.88 H new ATOM 383 N PRO A 34 8.929 12.667 -8.793 1.00 1.04 N ATOM 384 CA PRO A 34 9.014 14.047 -9.281 1.00 1.23 C ATOM 385 C PRO A 34 9.525 14.116 -10.718 1.00 1.50 C ATOM 386 O PRO A 34 9.349 15.124 -11.402 1.00 1.84 O ATOM 387 CB PRO A 34 10.010 14.717 -8.326 1.00 1.29 C ATOM 388 CG PRO A 34 10.766 13.593 -7.703 1.00 1.15 C ATOM 389 CD PRO A 34 9.808 12.440 -7.633 1.00 0.96 C ATOM 0 HA PRO A 34 8.038 14.531 -9.296 1.00 1.23 H new ATOM 0 HB2 PRO A 34 10.677 15.392 -8.862 1.00 1.29 H new ATOM 0 HB3 PRO A 34 9.494 15.311 -7.572 1.00 1.29 H new ATOM 0 HG2 PRO A 34 11.643 13.336 -8.297 1.00 1.15 H new ATOM 0 HG3 PRO A 34 11.122 13.865 -6.710 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.324 11.482 -7.699 1.00 0.96 H new ATOM 0 HD3 PRO A 34 9.249 12.437 -6.698 1.00 0.96 H new ATOM 397 N GLU A 35 10.158 13.034 -11.170 1.00 1.43 N ATOM 398 CA GLU A 35 10.692 12.969 -12.525 1.00 1.69 C ATOM 399 C GLU A 35 9.780 12.144 -13.429 1.00 1.95 C ATOM 400 O GLU A 35 9.304 12.629 -14.456 1.00 2.55 O ATOM 401 CB GLU A 35 12.099 12.368 -12.511 1.00 1.58 C ATOM 402 CG GLU A 35 13.206 13.409 -12.500 1.00 2.20 C ATOM 403 CD GLU A 35 14.404 12.993 -13.330 1.00 2.95 C ATOM 404 OE1 GLU A 35 15.299 12.316 -12.782 1.00 3.47 O ATOM 405 OE2 GLU A 35 14.449 13.344 -14.528 1.00 3.53 O ATOM 0 H GLU A 35 10.312 12.192 -10.616 1.00 1.43 H new ATOM 0 HA GLU A 35 10.742 13.984 -12.920 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.203 11.730 -11.634 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.221 11.730 -13.386 1.00 1.58 H new ATOM 0 HG2 GLU A 35 12.816 14.353 -12.880 1.00 2.20 H new ATOM 0 HG3 GLU A 35 13.524 13.585 -11.472 1.00 2.20 H new ATOM 412 N GLY A 36 9.538 10.895 -13.038 1.00 1.77 N ATOM 413 CA GLY A 36 8.681 10.026 -13.824 1.00 2.19 C ATOM 414 C GLY A 36 9.257 8.632 -13.998 1.00 1.74 C ATOM 415 O GLY A 36 10.167 8.426 -14.801 1.00 1.77 O ATOM 0 H GLY A 36 9.920 10.471 -12.193 1.00 1.77 H new ATOM 0 HA2 GLY A 36 7.706 9.954 -13.343 1.00 2.19 H new ATOM 0 HA3 GLY A 36 8.520 10.473 -14.805 1.00 2.19 H new ATOM 419 N ASN A 37 8.720 7.674 -13.247 1.00 2.06 N ATOM 420 CA ASN A 37 9.179 6.291 -13.325 1.00 2.08 C ATOM 421 C ASN A 37 7.993 5.330 -13.342 1.00 1.73 C ATOM 422 O ASN A 37 7.040 5.491 -12.582 1.00 1.94 O ATOM 423 CB ASN A 37 10.102 5.969 -12.148 1.00 3.12 C ATOM 424 CG ASN A 37 11.364 5.250 -12.582 1.00 3.90 C ATOM 425 OD1 ASN A 37 11.315 4.303 -13.366 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.506 5.698 -12.072 1.00 4.34 N ATOM 0 H ASN A 37 7.966 7.831 -12.578 1.00 2.06 H new ATOM 0 HA ASN A 37 9.737 6.168 -14.253 1.00 2.08 H new ATOM 0 HB2 ASN A 37 10.371 6.894 -11.638 1.00 3.12 H new ATOM 0 HB3 ASN A 37 9.565 5.352 -11.427 1.00 3.12 H new ATOM 0 HD21 ASN A 37 13.388 5.254 -12.328 1.00 4.34 H new ATOM 0 HD22 ASN A 37 12.501 6.486 -11.425 1.00 4.34 H new ATOM 431 N GLU A 38 8.056 4.333 -14.221 1.00 1.77 N ATOM 432 CA GLU A 38 6.983 3.350 -14.347 1.00 1.76 C ATOM 433 C GLU A 38 6.865 2.487 -13.092 1.00 1.90 C ATOM 434 O GLU A 38 7.814 1.806 -12.702 1.00 2.28 O ATOM 435 CB GLU A 38 7.222 2.462 -15.571 1.00 2.18 C ATOM 436 CG GLU A 38 5.971 2.223 -16.400 1.00 2.12 C ATOM 437 CD GLU A 38 6.263 2.146 -17.886 1.00 2.42 C ATOM 438 OE1 GLU A 38 6.736 1.084 -18.344 1.00 2.81 O ATOM 439 OE2 GLU A 38 6.018 3.146 -18.592 1.00 2.88 O ATOM 0 H GLU A 38 8.839 4.184 -14.857 1.00 1.77 H new ATOM 0 HA GLU A 38 6.046 3.893 -14.472 1.00 1.76 H new ATOM 0 HB2 GLU A 38 7.983 2.922 -16.201 1.00 2.18 H new ATOM 0 HB3 GLU A 38 7.619 1.502 -15.241 1.00 2.18 H new ATOM 0 HG2 GLU A 38 5.498 1.296 -16.078 1.00 2.12 H new ATOM 0 HG3 GLU A 38 5.258 3.026 -16.215 1.00 2.12 H new ATOM 446 N VAL A 39 5.687 2.516 -12.472 1.00 1.79 N ATOM 447 CA VAL A 39 5.431 1.731 -11.265 1.00 2.04 C ATOM 448 C VAL A 39 3.939 1.440 -11.119 1.00 1.58 C ATOM 449 O VAL A 39 3.110 2.078 -11.769 1.00 1.86 O ATOM 450 CB VAL A 39 5.926 2.452 -9.994 1.00 2.80 C ATOM 451 CG1 VAL A 39 6.059 1.467 -8.842 1.00 3.56 C ATOM 452 CG2 VAL A 39 7.250 3.159 -10.249 1.00 3.20 C ATOM 0 H VAL A 39 4.894 3.075 -12.786 1.00 1.79 H new ATOM 0 HA VAL A 39 5.983 0.797 -11.373 1.00 2.04 H new ATOM 0 HB VAL A 39 5.188 3.207 -9.722 1.00 2.80 H new ATOM 0 HG11 VAL A 39 6.409 1.992 -7.953 1.00 3.56 H new ATOM 0 HG12 VAL A 39 5.089 1.014 -8.637 1.00 3.56 H new ATOM 0 HG13 VAL A 39 6.774 0.689 -9.109 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.577 3.659 -9.337 1.00 3.20 H new ATOM 0 HG22 VAL A 39 8.000 2.428 -10.551 1.00 3.20 H new ATOM 0 HG23 VAL A 39 7.122 3.896 -11.042 1.00 3.20 H new ATOM 456 N GLU A 40 3.601 0.474 -10.268 1.00 1.19 N ATOM 457 CA GLU A 40 2.204 0.106 -10.053 1.00 0.87 C ATOM 458 C GLU A 40 1.947 -0.298 -8.602 1.00 0.72 C ATOM 459 O GLU A 40 2.493 -1.291 -8.119 1.00 0.71 O ATOM 460 CB GLU A 40 1.809 -1.037 -10.988 1.00 0.85 C ATOM 461 CG GLU A 40 0.306 -1.201 -11.146 1.00 0.98 C ATOM 462 CD GLU A 40 -0.302 -0.158 -12.064 1.00 1.62 C ATOM 463 OE1 GLU A 40 0.301 0.129 -13.119 1.00 2.10 O ATOM 464 OE2 GLU A 40 -1.382 0.372 -11.727 1.00 2.29 O ATOM 0 H GLU A 40 4.271 -0.065 -9.719 1.00 1.19 H new ATOM 0 HA GLU A 40 1.594 0.982 -10.273 1.00 0.87 H new ATOM 0 HB2 GLU A 40 2.252 -0.863 -11.968 1.00 0.85 H new ATOM 0 HB3 GLU A 40 2.230 -1.968 -10.608 1.00 0.85 H new ATOM 0 HG2 GLU A 40 0.092 -2.195 -11.540 1.00 0.98 H new ATOM 0 HG3 GLU A 40 -0.168 -1.137 -10.166 1.00 0.98 H new ATOM 471 N MET A 41 1.103 0.473 -7.917 1.00 0.77 N ATOM 472 CA MET A 41 0.764 0.190 -6.523 1.00 0.73 C ATOM 473 C MET A 41 -0.741 0.319 -6.286 1.00 0.68 C ATOM 474 O MET A 41 -1.265 1.425 -6.138 1.00 0.72 O ATOM 475 CB MET A 41 1.515 1.137 -5.580 1.00 0.88 C ATOM 476 CG MET A 41 2.962 1.385 -5.976 1.00 1.06 C ATOM 477 SD MET A 41 3.653 2.861 -5.201 1.00 1.42 S ATOM 478 CE MET A 41 4.807 2.132 -4.040 1.00 1.11 C ATOM 0 H MET A 41 0.642 1.297 -8.304 1.00 0.77 H new ATOM 0 HA MET A 41 1.065 -0.836 -6.313 1.00 0.73 H new ATOM 0 HB2 MET A 41 0.990 2.091 -5.546 1.00 0.88 H new ATOM 0 HB3 MET A 41 1.491 0.724 -4.572 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.564 0.519 -5.700 1.00 1.06 H new ATOM 0 HG3 MET A 41 3.026 1.485 -7.060 1.00 1.06 H new ATOM 0 HE1 MET A 41 5.126 2.887 -3.321 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.322 1.311 -3.512 1.00 1.11 H new ATOM 0 HE3 MET A 41 5.676 1.754 -4.579 1.00 1.11 H new ATOM 488 N THR A 42 -1.432 -0.817 -6.242 1.00 0.81 N ATOM 489 CA THR A 42 -2.874 -0.819 -6.015 1.00 0.79 C ATOM 490 C THR A 42 -3.184 -1.105 -4.547 1.00 0.77 C ATOM 491 O THR A 42 -3.037 -2.233 -4.083 1.00 1.11 O ATOM 492 CB THR A 42 -3.555 -1.857 -6.908 1.00 0.95 C ATOM 493 OG1 THR A 42 -3.174 -1.681 -8.261 1.00 0.97 O ATOM 494 CG2 THR A 42 -5.067 -1.800 -6.847 1.00 1.61 C ATOM 0 H THR A 42 -1.020 -1.743 -6.360 1.00 0.81 H new ATOM 0 HA THR A 42 -3.262 0.168 -6.268 1.00 0.79 H new ATOM 0 HB THR A 42 -3.228 -2.825 -6.527 1.00 0.95 H new ATOM 0 HG1 THR A 42 -3.618 -2.355 -8.816 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.487 -2.562 -7.503 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.397 -1.981 -5.824 1.00 1.61 H new ATOM 0 HG23 THR A 42 -5.407 -0.816 -7.170 1.00 1.61 H new ATOM 499 N VAL A 43 -3.601 -0.072 -3.821 1.00 0.65 N ATOM 500 CA VAL A 43 -3.918 -0.213 -2.403 1.00 0.64 C ATOM 501 C VAL A 43 -5.424 -0.263 -2.162 1.00 0.58 C ATOM 502 O VAL A 43 -6.195 0.465 -2.795 1.00 0.71 O ATOM 503 CB VAL A 43 -3.318 0.944 -1.578 1.00 0.75 C ATOM 504 CG1 VAL A 43 -3.497 0.690 -0.089 1.00 1.53 C ATOM 505 CG2 VAL A 43 -1.848 1.142 -1.919 1.00 1.51 C ATOM 0 H VAL A 43 -3.727 0.870 -4.190 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.477 -1.156 -2.080 1.00 0.64 H new ATOM 0 HB VAL A 43 -3.852 1.859 -1.834 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -3.067 1.517 0.476 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -4.559 0.607 0.141 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -2.993 -0.237 0.185 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -1.444 1.963 -1.326 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -1.297 0.228 -1.697 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -1.749 1.377 -2.979 1.00 1.51 H new ATOM 509 N ARG A 44 -5.835 -1.124 -1.236 1.00 0.55 N ATOM 510 CA ARG A 44 -7.244 -1.279 -0.893 1.00 0.54 C ATOM 511 C ARG A 44 -7.429 -1.283 0.622 1.00 0.57 C ATOM 512 O ARG A 44 -6.693 -1.954 1.347 1.00 0.69 O ATOM 513 CB ARG A 44 -7.798 -2.575 -1.499 1.00 0.61 C ATOM 514 CG ARG A 44 -9.184 -2.958 -0.996 1.00 1.19 C ATOM 515 CD ARG A 44 -10.264 -2.068 -1.591 1.00 1.98 C ATOM 516 NE ARG A 44 -10.671 -2.517 -2.920 1.00 2.48 N ATOM 517 CZ ARG A 44 -11.303 -3.666 -3.154 1.00 3.13 C ATOM 518 NH1 ARG A 44 -11.604 -4.481 -2.150 1.00 3.54 N ATOM 519 NH2 ARG A 44 -11.635 -3.999 -4.393 1.00 3.77 N ATOM 0 H ARG A 44 -5.207 -1.729 -0.707 1.00 0.55 H new ATOM 0 HA ARG A 44 -7.795 -0.434 -1.306 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.834 -2.469 -2.583 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.107 -3.389 -1.281 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -9.389 -3.998 -1.250 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.210 -2.884 0.091 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -11.131 -2.058 -0.930 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -9.897 -1.043 -1.651 1.00 1.98 H new ATOM 0 HE ARG A 44 -10.459 -1.915 -3.716 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -11.351 -4.228 -1.195 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -12.088 -5.360 -2.334 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -11.407 -3.376 -5.167 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -12.119 -4.879 -4.572 1.00 3.77 H new ATOM 533 N ILE A 45 -8.420 -0.534 1.090 1.00 0.55 N ATOM 534 CA ILE A 45 -8.710 -0.452 2.518 1.00 0.61 C ATOM 535 C ILE A 45 -10.144 -0.888 2.801 1.00 0.59 C ATOM 536 O ILE A 45 -11.070 -0.525 2.073 1.00 0.60 O ATOM 537 CB ILE A 45 -8.491 0.975 3.080 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.416 2.006 1.946 1.00 0.59 C ATOM 539 CG2 ILE A 45 -7.229 1.019 3.930 1.00 0.94 C ATOM 540 CD1 ILE A 45 -7.936 3.375 2.392 1.00 0.63 C ATOM 0 H ILE A 45 -9.037 0.026 0.502 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.013 -1.125 3.018 1.00 0.61 H new ATOM 0 HB ILE A 45 -9.344 1.230 3.709 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -7.747 1.632 1.171 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -9.403 2.107 1.494 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -7.087 2.027 4.319 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -7.325 0.320 4.761 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -6.370 0.741 3.320 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -7.910 4.048 1.535 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -8.617 3.772 3.145 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.936 3.289 2.817 1.00 0.63 H new ATOM 544 N VAL A 46 -10.321 -1.674 3.855 1.00 0.63 N ATOM 545 CA VAL A 46 -11.640 -2.164 4.230 1.00 0.63 C ATOM 546 C VAL A 46 -11.577 -2.974 5.523 1.00 0.64 C ATOM 547 O VAL A 46 -10.512 -3.455 5.912 1.00 0.68 O ATOM 548 CB VAL A 46 -12.247 -3.036 3.112 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.319 -4.194 2.772 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.624 -3.546 3.511 1.00 1.52 C ATOM 0 H VAL A 46 -9.566 -1.986 4.466 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.275 -1.292 4.386 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.361 -2.418 2.222 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.765 -4.797 1.981 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.359 -3.804 2.433 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -11.168 -4.811 3.658 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -14.032 -4.158 2.707 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.541 -4.145 4.418 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.286 -2.700 3.695 1.00 1.52 H new ATOM 554 N ASP A 47 -12.722 -3.118 6.184 1.00 0.66 N ATOM 555 CA ASP A 47 -12.798 -3.870 7.434 1.00 0.71 C ATOM 556 C ASP A 47 -12.113 -5.227 7.300 1.00 0.74 C ATOM 557 O ASP A 47 -11.699 -5.621 6.209 1.00 0.81 O ATOM 558 CB ASP A 47 -14.257 -4.062 7.850 1.00 0.75 C ATOM 559 CG ASP A 47 -15.044 -2.767 7.819 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.425 -2.330 6.712 1.00 1.88 O ATOM 561 OD2 ASP A 47 -15.279 -2.188 8.900 1.00 2.11 O ATOM 0 H ASP A 47 -13.611 -2.724 5.875 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.279 -3.298 8.203 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -14.729 -4.786 7.186 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.293 -4.481 8.856 1.00 0.75 H new ATOM 566 N GLU A 48 -11.993 -5.936 8.416 1.00 0.76 N ATOM 567 CA GLU A 48 -11.356 -7.247 8.422 1.00 0.82 C ATOM 568 C GLU A 48 -12.213 -8.279 7.696 1.00 0.79 C ATOM 569 O GLU A 48 -11.759 -8.923 6.751 1.00 0.83 O ATOM 570 CB GLU A 48 -11.096 -7.703 9.860 1.00 0.92 C ATOM 571 CG GLU A 48 -9.718 -7.324 10.378 1.00 1.39 C ATOM 572 CD GLU A 48 -9.537 -7.651 11.848 1.00 1.59 C ATOM 573 OE1 GLU A 48 -9.882 -8.783 12.251 1.00 2.30 O ATOM 574 OE2 GLU A 48 -9.052 -6.777 12.596 1.00 1.81 O ATOM 0 H GLU A 48 -12.328 -5.625 9.328 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.406 -7.161 7.895 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.853 -7.268 10.513 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -11.211 -8.785 9.916 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -8.959 -7.848 9.797 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -9.557 -6.257 10.224 1.00 1.39 H new ATOM 581 N ALA A 49 -13.453 -8.435 8.147 1.00 0.86 N ATOM 582 CA ALA A 49 -14.375 -9.394 7.546 1.00 0.89 C ATOM 583 C ALA A 49 -14.484 -9.203 6.037 1.00 0.83 C ATOM 584 O ALA A 49 -14.224 -10.124 5.264 1.00 0.80 O ATOM 585 CB ALA A 49 -15.747 -9.278 8.191 1.00 0.99 C ATOM 0 H ALA A 49 -13.844 -7.909 8.928 1.00 0.86 H new ATOM 0 HA ALA A 49 -13.977 -10.393 7.725 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -16.426 -9.998 7.734 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.666 -9.482 9.259 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -16.135 -8.270 8.043 1.00 0.99 H new ATOM 591 N GLU A 50 -14.874 -8.002 5.628 1.00 0.87 N ATOM 592 CA GLU A 50 -15.030 -7.679 4.210 1.00 0.88 C ATOM 593 C GLU A 50 -13.789 -8.071 3.409 1.00 0.84 C ATOM 594 O GLU A 50 -13.879 -8.809 2.424 1.00 0.85 O ATOM 595 CB GLU A 50 -15.307 -6.185 4.038 1.00 0.98 C ATOM 596 CG GLU A 50 -16.786 -5.831 4.079 1.00 1.52 C ATOM 597 CD GLU A 50 -17.260 -5.153 2.809 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.608 -4.179 2.376 1.00 2.17 O ATOM 599 OE2 GLU A 50 -18.285 -5.595 2.247 1.00 1.85 O ATOM 0 H GLU A 50 -15.090 -7.230 6.259 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.875 -8.252 3.829 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -14.788 -5.635 4.823 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.889 -5.854 3.088 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -17.368 -6.738 4.241 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.975 -5.175 4.929 1.00 1.52 H new ATOM 606 N SER A 51 -12.633 -7.576 3.835 1.00 0.87 N ATOM 607 CA SER A 51 -11.376 -7.877 3.157 1.00 0.92 C ATOM 608 C SER A 51 -11.162 -9.383 3.058 1.00 0.84 C ATOM 609 O SER A 51 -10.786 -9.899 2.006 1.00 0.83 O ATOM 610 CB SER A 51 -10.204 -7.233 3.901 1.00 1.04 C ATOM 611 OG SER A 51 -8.972 -7.821 3.521 1.00 1.90 O ATOM 0 H SER A 51 -12.539 -6.965 4.646 1.00 0.87 H new ATOM 0 HA SER A 51 -11.427 -7.466 2.149 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.180 -6.164 3.691 1.00 1.04 H new ATOM 0 HB3 SER A 51 -10.347 -7.344 4.976 1.00 1.04 H new ATOM 0 HG SER A 51 -8.240 -7.391 4.010 1.00 1.90 H new ATOM 617 N HIS A 52 -11.402 -10.078 4.164 1.00 0.86 N ATOM 618 CA HIS A 52 -11.233 -11.524 4.212 1.00 0.86 C ATOM 619 C HIS A 52 -12.209 -12.225 3.278 1.00 0.83 C ATOM 620 O HIS A 52 -11.795 -12.968 2.389 1.00 0.90 O ATOM 621 CB HIS A 52 -11.410 -12.023 5.642 1.00 0.94 C ATOM 622 CG HIS A 52 -10.500 -11.334 6.606 1.00 0.99 C ATOM 623 ND1 HIS A 52 -10.833 -11.101 7.921 1.00 1.39 N ATOM 624 CD2 HIS A 52 -9.260 -10.820 6.435 1.00 1.61 C ATOM 625 CE1 HIS A 52 -9.837 -10.475 8.519 1.00 1.28 C ATOM 626 NE2 HIS A 52 -8.866 -10.293 7.640 1.00 1.39 N ATOM 0 H HIS A 52 -11.715 -9.662 5.041 1.00 0.86 H new ATOM 0 HA HIS A 52 -10.224 -11.761 3.876 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -12.444 -11.870 5.951 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -11.223 -13.096 5.674 1.00 0.94 H new ATOM 0 HD2 HIS A 52 -8.686 -10.824 5.520 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -9.818 -10.164 9.553 1.00 1.28 H new ATOM 0 HE2 HIS A 52 -7.973 -9.837 7.826 1.00 1.39 H new ATOM 635 N GLU A 53 -13.504 -11.982 3.464 1.00 0.86 N ATOM 636 CA GLU A 53 -14.508 -12.598 2.604 1.00 0.95 C ATOM 637 C GLU A 53 -14.153 -12.348 1.144 1.00 0.94 C ATOM 638 O GLU A 53 -14.147 -13.269 0.329 1.00 0.95 O ATOM 639 CB GLU A 53 -15.907 -12.056 2.917 1.00 1.10 C ATOM 640 CG GLU A 53 -16.040 -10.554 2.736 1.00 1.68 C ATOM 641 CD GLU A 53 -17.435 -10.051 3.050 1.00 2.38 C ATOM 642 OE1 GLU A 53 -18.024 -10.520 4.048 1.00 2.71 O ATOM 643 OE2 GLU A 53 -17.939 -9.189 2.300 1.00 3.10 O ATOM 0 H GLU A 53 -13.878 -11.372 4.191 1.00 0.86 H new ATOM 0 HA GLU A 53 -14.518 -13.672 2.792 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -16.632 -12.555 2.274 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -16.164 -12.312 3.945 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -15.322 -10.049 3.382 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -15.786 -10.291 1.709 1.00 1.68 H new ATOM 650 N LEU A 54 -13.822 -11.100 0.832 1.00 0.95 N ATOM 651 CA LEU A 54 -13.428 -10.729 -0.521 1.00 1.00 C ATOM 652 C LEU A 54 -12.142 -11.453 -0.909 1.00 0.89 C ATOM 653 O LEU A 54 -11.900 -11.732 -2.081 1.00 0.93 O ATOM 654 CB LEU A 54 -13.229 -9.209 -0.610 1.00 1.06 C ATOM 655 CG LEU A 54 -12.585 -8.688 -1.903 1.00 1.15 C ATOM 656 CD1 LEU A 54 -11.087 -8.953 -1.907 1.00 1.23 C ATOM 657 CD2 LEU A 54 -13.245 -9.309 -3.126 1.00 1.24 C ATOM 0 H LEU A 54 -13.819 -10.328 1.499 1.00 0.95 H new ATOM 0 HA LEU A 54 -14.217 -11.022 -1.214 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.200 -8.728 -0.492 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -12.613 -8.893 0.232 1.00 1.06 H new ATOM 0 HG LEU A 54 -12.739 -7.610 -1.945 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -10.653 -8.575 -2.833 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -10.626 -8.449 -1.058 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -10.907 -10.026 -1.833 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.772 -8.924 -4.029 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.132 -10.392 -3.090 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -14.305 -9.055 -3.136 1.00 1.24 H new ATOM 663 N ASN A 55 -11.322 -11.744 0.096 1.00 0.78 N ATOM 664 CA ASN A 55 -10.048 -12.426 -0.106 1.00 0.71 C ATOM 665 C ASN A 55 -10.239 -13.823 -0.695 1.00 0.69 C ATOM 666 O ASN A 55 -9.744 -14.134 -1.783 1.00 0.74 O ATOM 667 CB ASN A 55 -9.319 -12.537 1.238 1.00 0.68 C ATOM 668 CG ASN A 55 -7.826 -12.726 1.087 1.00 1.33 C ATOM 669 OD1 ASN A 55 -7.288 -12.630 -0.013 1.00 2.28 O ATOM 670 ND2 ASN A 55 -7.148 -12.991 2.201 1.00 1.42 N ATOM 0 H ASN A 55 -11.521 -11.515 1.070 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.460 -11.842 -0.814 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -9.508 -11.637 1.823 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -9.731 -13.375 1.800 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -6.137 -13.124 2.164 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -7.639 -13.061 3.092 1.00 1.42 H new ATOM 675 N LEU A 56 -10.939 -14.668 0.046 1.00 0.71 N ATOM 676 CA LEU A 56 -11.171 -16.040 -0.379 1.00 0.79 C ATOM 677 C LEU A 56 -12.295 -16.146 -1.402 1.00 0.87 C ATOM 678 O LEU A 56 -12.236 -16.973 -2.312 1.00 0.97 O ATOM 679 CB LEU A 56 -11.474 -16.922 0.831 1.00 0.84 C ATOM 680 CG LEU A 56 -10.271 -17.208 1.729 1.00 0.89 C ATOM 681 CD1 LEU A 56 -9.708 -15.914 2.295 1.00 0.91 C ATOM 682 CD2 LEU A 56 -10.657 -18.158 2.851 1.00 0.92 C ATOM 0 H LEU A 56 -11.357 -14.428 0.945 1.00 0.71 H new ATOM 0 HA LEU A 56 -10.259 -16.388 -0.864 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -12.250 -16.443 1.428 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -11.882 -17.870 0.480 1.00 0.84 H new ATOM 0 HG LEU A 56 -9.498 -17.684 1.126 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -8.852 -16.137 2.932 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -9.392 -15.266 1.477 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -10.475 -15.410 2.882 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -9.788 -18.350 3.480 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -11.448 -17.709 3.452 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -11.012 -19.097 2.427 1.00 0.92 H new ATOM 688 N THR A 57 -13.320 -15.321 -1.253 1.00 0.93 N ATOM 689 CA THR A 57 -14.448 -15.354 -2.173 1.00 1.09 C ATOM 690 C THR A 57 -14.031 -14.939 -3.582 1.00 1.14 C ATOM 691 O THR A 57 -14.746 -15.204 -4.548 1.00 1.27 O ATOM 692 CB THR A 57 -15.581 -14.453 -1.670 1.00 1.23 C ATOM 693 OG1 THR A 57 -16.829 -14.887 -2.179 1.00 1.51 O ATOM 694 CG2 THR A 57 -15.419 -12.992 -2.044 1.00 1.45 C ATOM 0 H THR A 57 -13.395 -14.626 -0.511 1.00 0.93 H new ATOM 0 HA THR A 57 -14.807 -16.382 -2.216 1.00 1.09 H new ATOM 0 HB THR A 57 -15.540 -14.533 -0.584 1.00 1.23 H new ATOM 0 HG1 THR A 57 -17.540 -14.301 -1.846 1.00 1.51 H new ATOM 0 HG21 THR A 57 -16.260 -12.421 -1.652 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.491 -12.609 -1.620 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.389 -12.895 -3.129 1.00 1.45 H new ATOM 699 N TYR A 58 -12.884 -14.271 -3.703 1.00 1.08 N ATOM 700 CA TYR A 58 -12.422 -13.818 -5.008 1.00 1.17 C ATOM 701 C TYR A 58 -11.125 -14.508 -5.454 1.00 1.08 C ATOM 702 O TYR A 58 -10.839 -14.551 -6.651 1.00 1.19 O ATOM 703 CB TYR A 58 -12.270 -12.288 -5.015 1.00 1.25 C ATOM 704 CG TYR A 58 -10.841 -11.789 -5.037 1.00 1.20 C ATOM 705 CD1 TYR A 58 -9.965 -12.100 -4.011 1.00 1.67 C ATOM 706 CD2 TYR A 58 -10.375 -11.005 -6.085 1.00 1.25 C ATOM 707 CE1 TYR A 58 -8.661 -11.646 -4.023 1.00 2.23 C ATOM 708 CE2 TYR A 58 -9.071 -10.547 -6.107 1.00 1.55 C ATOM 709 CZ TYR A 58 -8.218 -10.870 -5.074 1.00 2.11 C ATOM 710 OH TYR A 58 -6.920 -10.415 -5.092 1.00 2.74 O ATOM 0 H TYR A 58 -12.268 -14.036 -2.925 1.00 1.08 H new ATOM 0 HA TYR A 58 -13.181 -14.102 -5.736 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -12.792 -11.890 -5.885 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -12.767 -11.884 -4.133 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -10.308 -12.708 -3.187 1.00 1.67 H new ATOM 0 HD2 TYR A 58 -11.042 -10.749 -6.895 1.00 1.25 H new ATOM 0 HE1 TYR A 58 -7.991 -11.897 -3.214 1.00 2.23 H new ATOM 0 HE2 TYR A 58 -8.723 -9.939 -6.929 1.00 1.55 H new ATOM 0 HH TYR A 58 -6.587 -10.340 -4.173 1.00 2.74 H new ATOM 720 N ARG A 59 -10.334 -15.044 -4.518 1.00 0.99 N ATOM 721 CA ARG A 59 -9.085 -15.705 -4.917 1.00 0.99 C ATOM 722 C ARG A 59 -8.691 -16.876 -4.011 1.00 0.90 C ATOM 723 O ARG A 59 -8.087 -17.842 -4.476 1.00 0.97 O ATOM 724 CB ARG A 59 -7.946 -14.680 -4.967 1.00 1.05 C ATOM 725 CG ARG A 59 -7.190 -14.518 -3.655 1.00 1.58 C ATOM 726 CD ARG A 59 -5.963 -15.415 -3.608 1.00 1.65 C ATOM 727 NE ARG A 59 -4.957 -15.017 -4.590 1.00 2.22 N ATOM 728 CZ ARG A 59 -3.965 -15.806 -4.998 1.00 2.71 C ATOM 729 NH1 ARG A 59 -3.841 -17.034 -4.511 1.00 3.08 N ATOM 730 NH2 ARG A 59 -3.093 -15.365 -5.895 1.00 3.32 N ATOM 0 H ARG A 59 -10.524 -15.036 -3.516 1.00 0.99 H new ATOM 0 HA ARG A 59 -9.263 -16.127 -5.906 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.241 -14.975 -5.745 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -8.356 -13.713 -5.258 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.887 -13.478 -3.534 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -7.850 -14.757 -2.821 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -5.528 -15.382 -2.609 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -6.261 -16.447 -3.792 1.00 1.65 H new ATOM 0 HE ARG A 59 -5.018 -14.079 -4.986 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -4.508 -17.378 -3.820 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -3.079 -17.634 -4.828 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -3.182 -14.422 -6.272 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -2.333 -15.969 -6.208 1.00 3.32 H new ATOM 744 N GLY A 60 -9.009 -16.785 -2.728 1.00 0.81 N ATOM 745 CA GLY A 60 -8.642 -17.850 -1.807 1.00 0.80 C ATOM 746 C GLY A 60 -7.279 -17.610 -1.187 1.00 0.78 C ATOM 747 O GLY A 60 -6.366 -18.422 -1.339 1.00 0.88 O ATOM 0 H GLY A 60 -9.510 -16.002 -2.308 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -9.392 -17.925 -1.020 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -8.639 -18.803 -2.336 1.00 0.80 H new ATOM 751 N LYS A 61 -7.139 -16.479 -0.502 1.00 0.76 N ATOM 752 CA LYS A 61 -5.876 -16.110 0.129 1.00 0.90 C ATOM 753 C LYS A 61 -5.922 -16.302 1.645 1.00 0.95 C ATOM 754 O LYS A 61 -6.795 -16.993 2.169 1.00 1.42 O ATOM 755 CB LYS A 61 -5.511 -14.665 -0.212 1.00 1.17 C ATOM 756 CG LYS A 61 -4.042 -14.481 -0.562 1.00 1.31 C ATOM 757 CD LYS A 61 -3.861 -13.560 -1.756 1.00 1.00 C ATOM 758 CE LYS A 61 -2.722 -14.025 -2.648 1.00 1.42 C ATOM 759 NZ LYS A 61 -1.400 -13.883 -1.979 1.00 2.13 N ATOM 0 H LYS A 61 -7.888 -15.800 -0.369 1.00 0.76 H new ATOM 0 HA LYS A 61 -5.106 -16.774 -0.265 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -6.122 -14.332 -1.051 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -5.758 -14.026 0.636 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -3.512 -14.071 0.298 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -3.595 -15.451 -0.780 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.785 -13.524 -2.333 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.662 -12.546 -1.408 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -2.879 -15.068 -2.924 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -2.725 -13.447 -3.572 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -0.650 -14.211 -2.620 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -1.238 -12.884 -1.738 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -1.387 -14.455 -1.110 1.00 2.13 H new ATOM 773 N ASP A 62 -4.950 -15.704 2.331 1.00 1.17 N ATOM 774 CA ASP A 62 -4.831 -15.810 3.785 1.00 1.25 C ATOM 775 C ASP A 62 -6.149 -15.525 4.504 1.00 1.66 C ATOM 776 O ASP A 62 -7.194 -15.341 3.881 1.00 2.50 O ATOM 777 CB ASP A 62 -3.751 -14.852 4.292 1.00 1.84 C ATOM 778 CG ASP A 62 -2.426 -15.549 4.529 1.00 2.50 C ATOM 779 OD1 ASP A 62 -2.391 -16.498 5.339 1.00 3.06 O ATOM 780 OD2 ASP A 62 -1.422 -15.144 3.906 1.00 2.95 O ATOM 0 H ASP A 62 -4.224 -15.134 1.897 1.00 1.17 H new ATOM 0 HA ASP A 62 -4.554 -16.840 4.009 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.612 -14.049 3.568 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -4.086 -14.389 5.220 1.00 1.84 H new ATOM 785 N ARG A 63 -6.076 -15.502 5.833 1.00 1.71 N ATOM 786 CA ARG A 63 -7.238 -15.258 6.680 1.00 2.49 C ATOM 787 C ARG A 63 -6.979 -14.035 7.573 1.00 2.22 C ATOM 788 O ARG A 63 -6.094 -13.237 7.266 1.00 1.77 O ATOM 789 CB ARG A 63 -7.530 -16.516 7.508 1.00 3.33 C ATOM 790 CG ARG A 63 -7.104 -17.814 6.834 1.00 4.23 C ATOM 791 CD ARG A 63 -7.279 -19.008 7.757 1.00 4.88 C ATOM 792 NE ARG A 63 -7.131 -20.277 7.048 1.00 5.84 N ATOM 793 CZ ARG A 63 -8.082 -20.820 6.292 1.00 6.66 C ATOM 794 NH1 ARG A 63 -9.252 -20.210 6.144 1.00 6.76 N ATOM 795 NH2 ARG A 63 -7.864 -21.976 5.680 1.00 7.66 N ATOM 0 H ARG A 63 -5.210 -15.652 6.351 1.00 1.71 H new ATOM 0 HA ARG A 63 -8.114 -15.042 6.069 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -7.021 -16.433 8.468 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -8.599 -16.561 7.717 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -7.692 -17.964 5.929 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -6.060 -17.740 6.528 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -6.545 -18.955 8.561 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -8.264 -18.965 8.221 1.00 4.88 H new ATOM 0 HE ARG A 63 -6.246 -20.776 7.138 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -9.426 -19.320 6.611 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -9.977 -20.631 5.563 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -6.967 -22.449 5.789 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -8.593 -22.392 5.101 1.00 7.66 H new ATOM 809 N PRO A 64 -7.736 -13.843 8.683 1.00 3.04 N ATOM 810 CA PRO A 64 -7.545 -12.688 9.568 1.00 3.30 C ATOM 811 C PRO A 64 -6.080 -12.311 9.770 1.00 2.79 C ATOM 812 O PRO A 64 -5.361 -12.933 10.552 1.00 3.00 O ATOM 813 CB PRO A 64 -8.178 -13.162 10.870 1.00 4.45 C ATOM 814 CG PRO A 64 -9.319 -14.000 10.415 1.00 4.81 C ATOM 815 CD PRO A 64 -8.840 -14.704 9.169 1.00 4.12 C ATOM 0 HA PRO A 64 -7.987 -11.780 9.158 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -7.474 -13.735 11.473 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -8.514 -12.324 11.482 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -9.608 -14.717 11.183 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -10.196 -13.387 10.205 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -8.494 -15.714 9.388 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -9.635 -14.793 8.428 1.00 4.12 H new ATOM 823 N THR A 65 -5.656 -11.275 9.051 1.00 2.27 N ATOM 824 CA THR A 65 -4.288 -10.782 9.128 1.00 2.01 C ATOM 825 C THR A 65 -4.283 -9.290 9.462 1.00 1.59 C ATOM 826 O THR A 65 -5.289 -8.746 9.915 1.00 1.81 O ATOM 827 CB THR A 65 -3.567 -11.031 7.798 1.00 2.13 C ATOM 828 OG1 THR A 65 -2.175 -10.802 7.931 1.00 2.47 O ATOM 829 CG2 THR A 65 -4.069 -10.161 6.665 1.00 2.82 C ATOM 0 H THR A 65 -6.249 -10.757 8.402 1.00 2.27 H new ATOM 0 HA THR A 65 -3.763 -11.317 9.919 1.00 2.01 H new ATOM 0 HB THR A 65 -3.776 -12.072 7.551 1.00 2.13 H new ATOM 0 HG1 THR A 65 -1.733 -10.968 7.072 1.00 2.47 H new ATOM 0 HG21 THR A 65 -3.514 -10.392 5.756 1.00 2.82 H new ATOM 0 HG22 THR A 65 -5.129 -10.353 6.501 1.00 2.82 H new ATOM 0 HG23 THR A 65 -3.926 -9.111 6.921 1.00 2.82 H new ATOM 834 N ASN A 66 -3.152 -8.632 9.231 1.00 1.36 N ATOM 835 CA ASN A 66 -3.035 -7.203 9.504 1.00 1.09 C ATOM 836 C ASN A 66 -2.921 -6.414 8.206 1.00 0.83 C ATOM 837 O ASN A 66 -3.458 -5.313 8.089 1.00 1.09 O ATOM 838 CB ASN A 66 -1.819 -6.921 10.389 1.00 1.37 C ATOM 839 CG ASN A 66 -1.755 -5.472 10.836 1.00 1.54 C ATOM 840 OD1 ASN A 66 -2.047 -5.153 11.989 1.00 2.36 O ATOM 841 ND2 ASN A 66 -1.373 -4.586 9.922 1.00 1.35 N ATOM 0 H ASN A 66 -2.306 -9.062 8.857 1.00 1.36 H new ATOM 0 HA ASN A 66 -3.936 -6.887 10.030 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -1.853 -7.568 11.266 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -0.909 -7.171 9.843 1.00 1.37 H new ATOM 0 HD21 ASN A 66 -1.313 -3.597 10.164 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.140 -4.895 8.978 1.00 1.35 H new ATOM 846 N VAL A 67 -2.217 -6.984 7.235 1.00 0.71 N ATOM 847 CA VAL A 67 -2.031 -6.332 5.945 1.00 0.79 C ATOM 848 C VAL A 67 -2.021 -7.345 4.806 1.00 0.79 C ATOM 849 O VAL A 67 -0.959 -7.755 4.338 1.00 0.81 O ATOM 850 CB VAL A 67 -0.718 -5.526 5.906 1.00 1.12 C ATOM 851 CG1 VAL A 67 -0.870 -4.212 6.660 1.00 1.59 C ATOM 852 CG2 VAL A 67 0.432 -6.348 6.472 1.00 1.51 C ATOM 0 H VAL A 67 -1.766 -7.895 7.317 1.00 0.71 H new ATOM 0 HA VAL A 67 -2.874 -5.653 5.815 1.00 0.79 H new ATOM 0 HB VAL A 67 -0.489 -5.293 4.866 1.00 1.12 H new ATOM 0 HG11 VAL A 67 0.068 -3.659 6.620 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -1.661 -3.619 6.201 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -1.126 -4.417 7.699 1.00 1.59 H new ATOM 0 HG21 VAL A 67 1.350 -5.762 6.436 1.00 1.51 H new ATOM 0 HG22 VAL A 67 0.213 -6.616 7.506 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.557 -7.255 5.880 1.00 1.51 H new ATOM 856 N LEU A 68 -3.208 -7.736 4.358 1.00 0.86 N ATOM 857 CA LEU A 68 -3.336 -8.692 3.264 1.00 0.89 C ATOM 858 C LEU A 68 -3.143 -7.980 1.928 1.00 0.81 C ATOM 859 O LEU A 68 -3.713 -6.918 1.703 1.00 0.75 O ATOM 860 CB LEU A 68 -4.711 -9.377 3.324 1.00 0.99 C ATOM 861 CG LEU A 68 -5.244 -9.933 1.998 1.00 1.22 C ATOM 862 CD1 LEU A 68 -4.601 -11.274 1.684 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.760 -10.064 2.049 1.00 1.10 C ATOM 0 H LEU A 68 -4.096 -7.406 4.735 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.566 -9.458 3.362 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.656 -10.195 4.042 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -5.435 -8.660 3.712 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.985 -9.235 1.202 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.992 -11.653 0.740 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -3.521 -11.150 1.606 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.829 -11.982 2.481 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -7.123 -10.460 1.101 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -7.040 -10.741 2.856 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -7.204 -9.085 2.227 1.00 1.10 H new ATOM 869 N SER A 69 -2.332 -8.563 1.050 1.00 0.96 N ATOM 870 CA SER A 69 -2.072 -7.961 -0.254 1.00 0.97 C ATOM 871 C SER A 69 -2.219 -8.973 -1.382 1.00 0.86 C ATOM 872 O SER A 69 -2.275 -10.181 -1.150 1.00 0.89 O ATOM 873 CB SER A 69 -0.666 -7.357 -0.288 1.00 1.18 C ATOM 874 OG SER A 69 -0.290 -6.864 0.987 1.00 1.85 O ATOM 0 H SER A 69 -1.847 -9.445 1.216 1.00 0.96 H new ATOM 0 HA SER A 69 -2.813 -7.176 -0.404 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.049 -8.112 -0.615 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.632 -6.548 -1.018 1.00 1.18 H new ATOM 0 HG SER A 69 0.662 -6.632 0.980 1.00 1.85 H new ATOM 880 N PHE A 70 -2.275 -8.463 -2.607 1.00 0.81 N ATOM 881 CA PHE A 70 -2.408 -9.306 -3.787 1.00 0.82 C ATOM 882 C PHE A 70 -1.330 -8.965 -4.812 1.00 0.91 C ATOM 883 O PHE A 70 -1.588 -8.268 -5.796 1.00 1.03 O ATOM 884 CB PHE A 70 -3.797 -9.144 -4.403 1.00 0.89 C ATOM 885 CG PHE A 70 -4.906 -9.540 -3.472 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.892 -10.778 -2.852 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.958 -8.676 -3.214 1.00 1.16 C ATOM 888 CE1 PHE A 70 -5.907 -11.147 -1.992 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.977 -9.041 -2.354 1.00 1.33 C ATOM 890 CZ PHE A 70 -6.951 -10.278 -1.742 1.00 1.48 C ATOM 0 H PHE A 70 -2.230 -7.464 -2.808 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.281 -10.345 -3.484 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.936 -8.105 -4.702 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -3.859 -9.747 -5.309 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -4.079 -11.462 -3.043 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.982 -7.707 -3.690 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -5.885 -12.115 -1.515 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.792 -8.359 -2.161 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.745 -10.566 -1.069 1.00 1.48 H new ATOM 900 N PRO A 71 -0.098 -9.449 -4.584 1.00 0.95 N ATOM 901 CA PRO A 71 1.034 -9.202 -5.474 1.00 1.11 C ATOM 902 C PRO A 71 0.980 -10.074 -6.723 1.00 1.11 C ATOM 903 O PRO A 71 0.311 -11.106 -6.742 1.00 1.14 O ATOM 904 CB PRO A 71 2.263 -9.568 -4.622 1.00 1.18 C ATOM 905 CG PRO A 71 1.739 -9.906 -3.260 1.00 1.13 C ATOM 906 CD PRO A 71 0.296 -10.271 -3.438 1.00 0.95 C ATOM 0 HA PRO A 71 1.047 -8.173 -5.835 1.00 1.11 H new ATOM 0 HB2 PRO A 71 2.799 -10.413 -5.054 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.966 -8.736 -4.574 1.00 1.18 H new ATOM 0 HG2 PRO A 71 2.298 -10.734 -2.824 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.844 -9.059 -2.583 1.00 1.13 H new ATOM 0 HD2 PRO A 71 0.168 -11.335 -3.638 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.294 -10.040 -2.551 1.00 0.95 H new ATOM 914 N PHE A 72 1.693 -9.656 -7.762 1.00 1.22 N ATOM 915 CA PHE A 72 1.730 -10.407 -9.010 1.00 1.28 C ATOM 916 C PHE A 72 2.497 -11.714 -8.822 1.00 1.36 C ATOM 917 O PHE A 72 3.487 -11.759 -8.093 1.00 1.47 O ATOM 918 CB PHE A 72 2.376 -9.562 -10.116 1.00 1.36 C ATOM 919 CG PHE A 72 3.880 -9.549 -10.073 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.554 -8.764 -9.152 1.00 1.65 C ATOM 921 CD2 PHE A 72 4.616 -10.329 -10.950 1.00 1.38 C ATOM 922 CE1 PHE A 72 5.935 -8.757 -9.106 1.00 1.83 C ATOM 923 CE2 PHE A 72 5.998 -10.326 -10.909 1.00 1.46 C ATOM 924 CZ PHE A 72 6.658 -9.540 -9.985 1.00 1.39 C ATOM 0 H PHE A 72 2.252 -8.803 -7.765 1.00 1.22 H new ATOM 0 HA PHE A 72 0.708 -10.646 -9.305 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.053 -9.942 -11.085 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.011 -8.538 -10.037 1.00 1.36 H new ATOM 0 HD1 PHE A 72 3.994 -8.150 -8.462 1.00 1.65 H new ATOM 0 HD2 PHE A 72 4.105 -10.946 -11.674 1.00 1.38 H new ATOM 0 HE1 PHE A 72 6.449 -8.140 -8.384 1.00 1.83 H new ATOM 0 HE2 PHE A 72 6.561 -10.938 -11.599 1.00 1.46 H new ATOM 0 HZ PHE A 72 7.737 -9.537 -9.950 1.00 1.39 H new ATOM 934 N GLU A 73 2.042 -12.774 -9.487 1.00 1.56 N ATOM 935 CA GLU A 73 2.699 -14.076 -9.390 1.00 1.67 C ATOM 936 C GLU A 73 4.205 -13.929 -9.578 1.00 1.31 C ATOM 937 O GLU A 73 4.671 -13.573 -10.662 1.00 1.43 O ATOM 938 CB GLU A 73 2.130 -15.037 -10.436 1.00 2.21 C ATOM 939 CG GLU A 73 2.500 -16.490 -10.192 1.00 2.25 C ATOM 940 CD GLU A 73 1.344 -17.437 -10.445 1.00 2.36 C ATOM 941 OE1 GLU A 73 0.277 -17.251 -9.824 1.00 2.62 O ATOM 942 OE2 GLU A 73 1.506 -18.365 -11.266 1.00 2.89 O ATOM 0 H GLU A 73 1.224 -12.758 -10.097 1.00 1.56 H new ATOM 0 HA GLU A 73 2.510 -14.484 -8.397 1.00 1.67 H new ATOM 0 HB2 GLU A 73 1.044 -14.945 -10.449 1.00 2.21 H new ATOM 0 HB3 GLU A 73 2.487 -14.740 -11.422 1.00 2.21 H new ATOM 0 HG2 GLU A 73 3.335 -16.762 -10.838 1.00 2.25 H new ATOM 0 HG3 GLU A 73 2.841 -16.606 -9.163 1.00 2.25 H new ATOM 949 N CYS A 74 4.965 -14.183 -8.516 1.00 1.48 N ATOM 950 CA CYS A 74 6.416 -14.052 -8.578 1.00 1.68 C ATOM 951 C CYS A 74 7.131 -15.357 -8.222 1.00 1.76 C ATOM 952 O CYS A 74 7.927 -15.405 -7.285 1.00 2.31 O ATOM 953 CB CYS A 74 6.873 -12.933 -7.643 1.00 2.63 C ATOM 954 SG CYS A 74 8.109 -11.826 -8.359 1.00 3.95 S ATOM 0 H CYS A 74 4.603 -14.478 -7.609 1.00 1.48 H new ATOM 0 HA CYS A 74 6.681 -13.808 -9.607 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.004 -12.345 -7.346 1.00 2.63 H new ATOM 0 HB3 CYS A 74 7.282 -13.378 -6.736 1.00 2.63 H new ATOM 0 HG CYS A 74 7.549 -11.074 -9.259 1.00 3.95 H new ATOM 960 N PRO A 75 6.878 -16.430 -8.989 1.00 1.68 N ATOM 961 CA PRO A 75 7.524 -17.724 -8.771 1.00 2.01 C ATOM 962 C PRO A 75 8.928 -17.746 -9.368 1.00 2.43 C ATOM 963 O PRO A 75 9.803 -18.489 -8.923 1.00 3.08 O ATOM 964 CB PRO A 75 6.606 -18.688 -9.518 1.00 2.13 C ATOM 965 CG PRO A 75 6.064 -17.879 -10.648 1.00 2.21 C ATOM 966 CD PRO A 75 5.963 -16.460 -10.146 1.00 1.89 C ATOM 0 HA PRO A 75 7.650 -17.969 -7.716 1.00 2.01 H new ATOM 0 HB2 PRO A 75 7.153 -19.559 -9.879 1.00 2.13 H new ATOM 0 HB3 PRO A 75 5.808 -19.057 -8.874 1.00 2.13 H new ATOM 0 HG2 PRO A 75 6.719 -17.938 -11.517 1.00 2.21 H new ATOM 0 HG3 PRO A 75 5.088 -18.251 -10.959 1.00 2.21 H new ATOM 0 HD2 PRO A 75 6.261 -15.743 -10.911 1.00 1.89 H new ATOM 0 HD3 PRO A 75 4.943 -16.210 -9.856 1.00 1.89 H new ATOM 974 N ASP A 76 9.121 -16.908 -10.382 1.00 2.55 N ATOM 975 CA ASP A 76 10.395 -16.782 -11.073 1.00 3.28 C ATOM 976 C ASP A 76 10.902 -15.349 -10.961 1.00 3.54 C ATOM 977 O ASP A 76 11.391 -14.779 -11.936 1.00 4.33 O ATOM 978 CB ASP A 76 10.253 -17.170 -12.545 1.00 3.70 C ATOM 979 CG ASP A 76 9.874 -18.627 -12.724 1.00 4.37 C ATOM 980 OD1 ASP A 76 8.910 -19.075 -12.069 1.00 4.70 O ATOM 981 OD2 ASP A 76 10.542 -19.320 -13.521 1.00 4.93 O ATOM 0 H ASP A 76 8.392 -16.295 -10.748 1.00 2.55 H new ATOM 0 HA ASP A 76 11.112 -17.458 -10.606 1.00 3.28 H new ATOM 0 HB2 ASP A 76 9.496 -16.540 -13.013 1.00 3.70 H new ATOM 0 HB3 ASP A 76 11.193 -16.976 -13.062 1.00 3.70 H new ATOM 986 N GLU A 77 10.737 -14.765 -9.769 1.00 3.34 N ATOM 987 CA GLU A 77 11.129 -13.378 -9.502 1.00 4.10 C ATOM 988 C GLU A 77 12.164 -12.870 -10.501 1.00 4.12 C ATOM 989 O GLU A 77 13.339 -13.235 -10.452 1.00 4.72 O ATOM 990 CB GLU A 77 11.676 -13.248 -8.079 1.00 4.59 C ATOM 991 CG GLU A 77 10.614 -13.409 -7.004 1.00 5.37 C ATOM 992 CD GLU A 77 11.125 -14.157 -5.787 1.00 6.17 C ATOM 993 OE1 GLU A 77 12.355 -14.164 -5.569 1.00 6.39 O ATOM 994 OE2 GLU A 77 10.295 -14.735 -5.054 1.00 6.84 O ATOM 0 H GLU A 77 10.329 -15.240 -8.964 1.00 3.34 H new ATOM 0 HA GLU A 77 10.235 -12.764 -9.610 1.00 4.10 H new ATOM 0 HB2 GLU A 77 12.452 -13.998 -7.927 1.00 4.59 H new ATOM 0 HB3 GLU A 77 12.149 -12.272 -7.968 1.00 4.59 H new ATOM 0 HG2 GLU A 77 10.259 -12.425 -6.698 1.00 5.37 H new ATOM 0 HG3 GLU A 77 9.759 -13.941 -7.420 1.00 5.37 H new ATOM 1001 N VAL A 78 11.690 -12.030 -11.411 1.00 3.88 N ATOM 1002 CA VAL A 78 12.514 -11.447 -12.450 1.00 4.32 C ATOM 1003 C VAL A 78 12.710 -9.958 -12.192 1.00 4.59 C ATOM 1004 O VAL A 78 12.416 -9.469 -11.101 1.00 4.66 O ATOM 1005 CB VAL A 78 11.873 -11.654 -13.841 1.00 4.22 C ATOM 1006 CG1 VAL A 78 12.177 -13.049 -14.365 1.00 3.62 C ATOM 1007 CG2 VAL A 78 10.370 -11.419 -13.779 1.00 4.61 C ATOM 0 H VAL A 78 10.714 -11.734 -11.445 1.00 3.88 H new ATOM 0 HA VAL A 78 13.483 -11.946 -12.435 1.00 4.32 H new ATOM 0 HB VAL A 78 12.303 -10.927 -14.530 1.00 4.22 H new ATOM 0 HG11 VAL A 78 11.718 -13.177 -15.345 1.00 3.62 H new ATOM 0 HG12 VAL A 78 13.256 -13.179 -14.450 1.00 3.62 H new ATOM 0 HG13 VAL A 78 11.775 -13.792 -13.676 1.00 3.62 H new ATOM 0 HG21 VAL A 78 9.937 -11.570 -14.768 1.00 4.61 H new ATOM 0 HG22 VAL A 78 9.921 -12.120 -13.076 1.00 4.61 H new ATOM 0 HG23 VAL A 78 10.175 -10.399 -13.449 1.00 4.61 H new ATOM 1011 N GLU A 79 13.220 -9.243 -13.182 1.00 5.02 N ATOM 1012 CA GLU A 79 13.465 -7.817 -13.037 1.00 5.37 C ATOM 1013 C GLU A 79 12.356 -6.994 -13.684 1.00 4.83 C ATOM 1014 O GLU A 79 12.438 -6.632 -14.856 1.00 5.25 O ATOM 1015 CB GLU A 79 14.821 -7.473 -13.647 1.00 6.47 C ATOM 1016 CG GLU A 79 15.896 -8.498 -13.315 1.00 7.05 C ATOM 1017 CD GLU A 79 16.810 -8.787 -14.490 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.306 -9.248 -15.536 1.00 8.13 O ATOM 1019 OE2 GLU A 79 18.031 -8.554 -14.363 1.00 8.58 O ATOM 0 H GLU A 79 13.472 -9.626 -14.093 1.00 5.02 H new ATOM 0 HA GLU A 79 13.473 -7.569 -11.976 1.00 5.37 H new ATOM 0 HB2 GLU A 79 14.719 -7.399 -14.730 1.00 6.47 H new ATOM 0 HB3 GLU A 79 15.137 -6.493 -13.289 1.00 6.47 H new ATOM 0 HG2 GLU A 79 16.491 -8.136 -12.477 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.422 -9.425 -12.992 1.00 7.05 H new ATOM 1026 N LEU A 80 11.316 -6.708 -12.904 1.00 4.12 N ATOM 1027 CA LEU A 80 10.181 -5.931 -13.388 1.00 3.69 C ATOM 1028 C LEU A 80 9.635 -5.018 -12.287 1.00 3.19 C ATOM 1029 O LEU A 80 9.154 -5.501 -11.262 1.00 2.62 O ATOM 1030 CB LEU A 80 9.071 -6.867 -13.878 1.00 3.48 C ATOM 1031 CG LEU A 80 9.315 -7.517 -15.242 1.00 3.52 C ATOM 1032 CD1 LEU A 80 9.737 -6.475 -16.265 1.00 4.01 C ATOM 1033 CD2 LEU A 80 10.362 -8.618 -15.134 1.00 3.62 C ATOM 0 H LEU A 80 11.237 -7.005 -11.931 1.00 4.12 H new ATOM 0 HA LEU A 80 10.524 -5.311 -14.216 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.931 -7.655 -13.139 1.00 3.48 H new ATOM 0 HB3 LEU A 80 8.139 -6.304 -13.924 1.00 3.48 H new ATOM 0 HG LEU A 80 8.380 -7.966 -15.577 1.00 3.52 H new ATOM 0 HD11 LEU A 80 9.906 -6.958 -17.228 1.00 4.01 H new ATOM 0 HD12 LEU A 80 8.951 -5.726 -16.367 1.00 4.01 H new ATOM 0 HD13 LEU A 80 10.657 -5.993 -15.935 1.00 4.01 H new ATOM 0 HD21 LEU A 80 10.520 -9.067 -16.115 1.00 3.62 H new ATOM 0 HD22 LEU A 80 11.299 -8.195 -14.773 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.017 -9.381 -14.437 1.00 3.62 H new ATOM 1039 N PRO A 81 9.696 -3.686 -12.480 1.00 3.80 N ATOM 1040 CA PRO A 81 9.196 -2.722 -11.491 1.00 3.74 C ATOM 1041 C PRO A 81 7.689 -2.843 -11.287 1.00 2.98 C ATOM 1042 O PRO A 81 6.920 -2.815 -12.248 1.00 3.21 O ATOM 1043 CB PRO A 81 9.544 -1.355 -12.096 1.00 4.99 C ATOM 1044 CG PRO A 81 10.558 -1.638 -13.153 1.00 5.53 C ATOM 1045 CD PRO A 81 10.248 -3.013 -13.665 1.00 4.94 C ATOM 0 HA PRO A 81 9.639 -2.885 -10.508 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.661 -0.875 -12.517 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.943 -0.680 -11.339 1.00 4.99 H new ATOM 0 HG2 PRO A 81 10.502 -0.901 -13.954 1.00 5.53 H new ATOM 0 HG3 PRO A 81 11.568 -1.591 -12.747 1.00 5.53 H new ATOM 0 HD2 PRO A 81 9.531 -2.987 -14.486 1.00 4.94 H new ATOM 0 HD3 PRO A 81 11.140 -3.517 -14.037 1.00 4.94 H new ATOM 1053 N LEU A 82 7.269 -2.982 -10.032 1.00 2.52 N ATOM 1054 CA LEU A 82 5.850 -3.114 -9.710 1.00 1.87 C ATOM 1055 C LEU A 82 5.643 -3.307 -8.214 1.00 1.58 C ATOM 1056 O LEU A 82 6.584 -3.609 -7.478 1.00 2.06 O ATOM 1057 CB LEU A 82 5.241 -4.300 -10.459 1.00 1.92 C ATOM 1058 CG LEU A 82 6.181 -5.489 -10.654 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.820 -5.891 -9.333 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.434 -6.660 -11.265 1.00 2.10 C ATOM 0 H LEU A 82 7.889 -3.006 -9.223 1.00 2.52 H new ATOM 0 HA LEU A 82 5.355 -2.194 -10.019 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.358 -4.639 -9.917 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.903 -3.958 -11.437 1.00 1.92 H new ATOM 0 HG LEU A 82 6.975 -5.191 -11.339 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.485 -6.739 -9.494 1.00 2.25 H new ATOM 0 HD12 LEU A 82 7.391 -5.052 -8.935 1.00 2.25 H new ATOM 0 HD13 LEU A 82 6.042 -6.170 -8.622 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.118 -7.499 -11.397 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.619 -6.957 -10.604 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.027 -6.367 -12.233 1.00 2.10 H new ATOM 1066 N LEU A 83 4.403 -3.137 -7.772 1.00 1.15 N ATOM 1067 CA LEU A 83 4.064 -3.299 -6.364 1.00 1.18 C ATOM 1068 C LEU A 83 2.912 -4.286 -6.182 1.00 1.05 C ATOM 1069 O LEU A 83 2.820 -4.962 -5.158 1.00 1.39 O ATOM 1070 CB LEU A 83 3.699 -1.948 -5.747 1.00 1.20 C ATOM 1071 CG LEU A 83 4.285 -1.692 -4.357 1.00 2.03 C ATOM 1072 CD1 LEU A 83 4.078 -2.901 -3.457 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.763 -1.347 -4.460 1.00 2.48 C ATOM 0 H LEU A 83 3.615 -2.887 -8.369 1.00 1.15 H new ATOM 0 HA LEU A 83 4.939 -3.700 -5.853 1.00 1.18 H new ATOM 0 HB2 LEU A 83 4.035 -1.157 -6.418 1.00 1.20 H new ATOM 0 HB3 LEU A 83 2.613 -1.875 -5.686 1.00 1.20 H new ATOM 0 HG LEU A 83 3.763 -0.844 -3.913 1.00 2.03 H new ATOM 0 HD11 LEU A 83 4.502 -2.699 -2.473 1.00 3.13 H new ATOM 0 HD12 LEU A 83 3.011 -3.103 -3.358 1.00 3.13 H new ATOM 0 HD13 LEU A 83 4.572 -3.769 -3.894 1.00 3.13 H new ATOM 0 HD21 LEU A 83 6.165 -1.168 -3.463 1.00 2.48 H new ATOM 0 HD22 LEU A 83 6.299 -2.175 -4.924 1.00 2.48 H new ATOM 0 HD23 LEU A 83 5.886 -0.450 -5.067 1.00 2.48 H new ATOM 1079 N GLY A 84 2.034 -4.364 -7.179 1.00 0.86 N ATOM 1080 CA GLY A 84 0.902 -5.272 -7.100 1.00 1.17 C ATOM 1081 C GLY A 84 -0.289 -4.662 -6.383 1.00 1.02 C ATOM 1082 O GLY A 84 -0.471 -3.443 -6.387 1.00 0.95 O ATOM 0 H GLY A 84 2.086 -3.816 -8.038 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.604 -5.564 -8.107 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.206 -6.181 -6.582 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.105 -5.515 -5.766 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.285 -5.052 -5.042 1.00 0.88 C ATOM 1088 C ASP A 85 -2.088 -5.179 -3.534 1.00 0.82 C ATOM 1089 O ASP A 85 -1.274 -5.977 -3.069 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.521 -5.841 -5.483 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.432 -5.033 -6.385 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.332 -4.347 -5.857 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -4.245 -5.086 -7.618 1.00 2.17 O ATOM 0 H ASP A 85 -0.971 -6.526 -5.753 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.435 -3.998 -5.277 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.205 -6.744 -6.006 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.078 -6.161 -4.602 1.00 0.86 H new ATOM 1098 N LEU A 86 -2.836 -4.383 -2.775 1.00 0.73 N ATOM 1099 CA LEU A 86 -2.741 -4.399 -1.319 1.00 0.69 C ATOM 1100 C LEU A 86 -4.118 -4.247 -0.678 1.00 0.60 C ATOM 1101 O LEU A 86 -4.973 -3.526 -1.187 1.00 0.71 O ATOM 1102 CB LEU A 86 -1.821 -3.271 -0.844 1.00 0.82 C ATOM 1103 CG LEU A 86 -0.802 -3.663 0.228 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.096 -2.481 0.559 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.503 -4.166 1.481 1.00 1.10 C ATOM 0 H LEU A 86 -3.515 -3.718 -3.145 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.326 -5.360 -1.015 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.283 -2.877 -1.706 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -2.438 -2.461 -0.456 1.00 0.82 H new ATOM 0 HG LEU A 86 -0.185 -4.472 -0.164 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.816 -2.774 1.323 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.628 -2.165 -0.339 1.00 1.41 H new ATOM 0 HD13 LEU A 86 -0.511 -1.655 0.930 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.759 -4.439 2.229 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -2.146 -3.381 1.878 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.107 -5.039 1.234 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.316 -4.925 0.447 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.580 -4.866 1.175 1.00 0.59 C ATOM 1113 C VAL A 87 -5.330 -4.646 2.663 1.00 0.66 C ATOM 1114 O VAL A 87 -5.354 -5.589 3.453 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.408 -6.154 0.993 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.822 -5.957 1.519 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.430 -6.574 -0.468 1.00 1.15 C ATOM 0 H VAL A 87 -3.613 -5.526 0.877 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.144 -4.029 0.764 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.937 -6.951 1.569 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -8.392 -6.876 1.383 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.784 -5.707 2.579 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.304 -5.146 0.972 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.019 -7.485 -0.576 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -6.875 -5.780 -1.068 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.411 -6.758 -0.809 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.076 -3.396 3.036 1.00 0.57 N ATOM 1122 CA ILE A 88 -4.808 -3.054 4.428 1.00 0.66 C ATOM 1123 C ILE A 88 -6.105 -2.800 5.194 1.00 0.74 C ATOM 1124 O ILE A 88 -7.085 -2.311 4.635 1.00 0.96 O ATOM 1125 CB ILE A 88 -3.888 -1.812 4.527 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -2.417 -2.236 4.454 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -4.152 -1.029 5.809 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -1.696 -1.713 3.230 1.00 1.94 C ATOM 0 H ILE A 88 -5.050 -2.604 2.394 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.299 -3.905 4.880 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.111 -1.158 3.684 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -1.901 -1.884 5.347 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -2.360 -3.325 4.461 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -3.491 -0.163 5.849 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -5.189 -0.694 5.824 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -3.965 -1.669 6.671 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -0.660 -2.052 3.245 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.187 -2.086 2.331 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.721 -0.623 3.231 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.092 -3.126 6.483 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.255 -2.924 7.336 1.00 0.89 C ATOM 1134 C CYS A 89 -7.359 -1.461 7.753 1.00 0.78 C ATOM 1135 O CYS A 89 -6.407 -0.885 8.279 1.00 0.73 O ATOM 1136 CB CYS A 89 -7.168 -3.818 8.574 1.00 1.12 C ATOM 1137 SG CYS A 89 -7.002 -5.579 8.202 1.00 1.32 S ATOM 0 H CYS A 89 -5.286 -3.532 6.959 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.148 -3.192 6.772 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.316 -3.503 9.177 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -8.061 -3.668 9.181 1.00 1.12 H new ATOM 0 HG CYS A 89 -5.743 -5.880 8.078 1.00 1.32 H new ATOM 1143 N ARG A 90 -8.518 -0.864 7.505 1.00 0.91 N ATOM 1144 CA ARG A 90 -8.746 0.536 7.843 1.00 0.91 C ATOM 1145 C ARG A 90 -9.149 0.704 9.309 1.00 0.81 C ATOM 1146 O ARG A 90 -9.322 1.824 9.785 1.00 0.99 O ATOM 1147 CB ARG A 90 -9.826 1.125 6.934 1.00 1.14 C ATOM 1148 CG ARG A 90 -10.028 2.621 7.115 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.460 2.950 7.508 1.00 2.56 C ATOM 1150 NE ARG A 90 -11.607 3.123 8.952 1.00 3.28 N ATOM 1151 CZ ARG A 90 -12.035 2.171 9.781 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -12.357 0.967 9.322 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -12.141 2.425 11.079 1.00 5.12 N ATOM 0 H ARG A 90 -9.316 -1.328 7.070 1.00 0.91 H new ATOM 0 HA ARG A 90 -7.809 1.072 7.691 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -9.562 0.926 5.895 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -10.769 0.614 7.127 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -9.346 2.991 7.881 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -9.777 3.137 6.188 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.775 3.862 7.000 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -12.121 2.152 7.170 1.00 2.56 H new ATOM 0 HE ARG A 90 -11.367 4.030 9.351 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -12.278 0.763 8.326 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -12.683 0.246 9.966 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -11.895 3.347 11.440 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -12.468 1.698 11.716 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.307 -0.408 10.019 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.700 -0.360 11.425 1.00 0.63 C ATOM 1169 C GLN A 91 -8.488 -0.202 12.342 1.00 0.58 C ATOM 1170 O GLN A 91 -8.560 0.484 13.361 1.00 0.58 O ATOM 1171 CB GLN A 91 -10.480 -1.621 11.804 1.00 0.69 C ATOM 1172 CG GLN A 91 -9.843 -2.910 11.306 1.00 0.83 C ATOM 1173 CD GLN A 91 -9.959 -4.043 12.306 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -9.105 -4.209 13.176 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -11.023 -4.830 12.186 1.00 1.12 N ATOM 0 H GLN A 91 -9.170 -1.348 9.648 1.00 0.66 H new ATOM 0 HA GLN A 91 -10.340 0.512 11.558 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -10.572 -1.668 12.889 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -11.490 -1.547 11.401 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -10.317 -3.207 10.370 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -8.790 -2.730 11.088 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -11.706 -4.655 11.449 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -11.156 -5.609 12.831 1.00 1.12 H new ATOM 1182 N VAL A 92 -7.382 -0.845 11.987 1.00 0.58 N ATOM 1183 CA VAL A 92 -6.168 -0.776 12.795 1.00 0.60 C ATOM 1184 C VAL A 92 -5.405 0.525 12.567 1.00 0.55 C ATOM 1185 O VAL A 92 -5.202 1.309 13.496 1.00 0.65 O ATOM 1186 CB VAL A 92 -5.226 -1.959 12.496 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.093 -2.008 13.509 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -5.997 -3.271 12.484 1.00 1.68 C ATOM 0 H VAL A 92 -7.299 -1.419 11.148 1.00 0.58 H new ATOM 0 HA VAL A 92 -6.492 -0.820 13.835 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.793 -1.812 11.506 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -3.438 -2.849 13.282 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -3.522 -1.081 13.461 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -4.505 -2.129 14.511 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -5.313 -4.093 12.271 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -6.462 -3.429 13.457 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -6.769 -3.233 11.715 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.973 0.744 11.330 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.217 1.944 10.986 1.00 0.49 C ATOM 1194 C VAL A 93 -4.993 3.212 11.335 1.00 0.54 C ATOM 1195 O VAL A 93 -4.450 4.134 11.946 1.00 0.61 O ATOM 1196 CB VAL A 93 -3.823 1.956 9.490 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -3.319 0.585 9.064 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -4.987 2.396 8.611 1.00 0.69 C ATOM 0 H VAL A 93 -5.133 0.107 10.549 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.304 1.925 11.581 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.019 2.681 9.361 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -3.046 0.609 8.009 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -2.446 0.317 9.659 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -4.104 -0.155 9.218 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -4.676 2.393 7.566 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -5.822 1.708 8.742 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.297 3.402 8.894 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.267 3.252 10.953 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.105 4.409 11.239 1.00 0.69 C ATOM 1204 C GLU A 94 -7.250 4.599 12.742 1.00 0.67 C ATOM 1205 O GLU A 94 -7.319 5.726 13.232 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.483 4.251 10.595 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.244 5.560 10.464 1.00 1.31 C ATOM 1208 CD GLU A 94 -8.739 6.418 9.321 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -8.524 5.873 8.218 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -8.555 7.636 9.529 1.00 2.25 O ATOM 0 H GLU A 94 -6.738 2.501 10.448 1.00 0.59 H new ATOM 0 HA GLU A 94 -6.624 5.291 10.816 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.365 3.808 9.606 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.075 3.554 11.188 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -10.302 5.347 10.313 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -9.161 6.119 11.396 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.282 3.489 13.473 1.00 0.59 N ATOM 1218 CA ARG A 95 -7.403 3.541 14.924 1.00 0.61 C ATOM 1219 C ARG A 95 -6.116 4.085 15.533 1.00 0.70 C ATOM 1220 O ARG A 95 -6.147 4.957 16.402 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.711 2.153 15.490 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.808 2.118 17.007 1.00 0.87 C ATOM 1223 CD ARG A 95 -9.210 2.462 17.483 1.00 1.58 C ATOM 1224 NE ARG A 95 -9.278 2.598 18.936 1.00 2.18 N ATOM 1225 CZ ARG A 95 -9.338 1.566 19.775 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -9.337 0.323 19.310 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.399 1.777 21.083 1.00 3.75 N ATOM 0 H ARG A 95 -7.226 2.547 13.086 1.00 0.59 H new ATOM 0 HA ARG A 95 -8.227 4.206 15.181 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.651 1.798 15.067 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.934 1.459 15.169 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -7.533 1.127 17.368 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.094 2.822 17.435 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -9.533 3.393 17.017 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -9.903 1.686 17.159 1.00 1.58 H new ATOM 0 HE ARG A 95 -9.280 3.539 19.331 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -9.290 0.154 18.305 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -9.383 -0.464 19.958 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.400 2.730 21.446 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -9.445 0.986 21.726 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.985 3.572 15.058 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.686 4.014 15.544 1.00 0.86 C ATOM 1243 C GLU A 96 -3.462 5.483 15.200 1.00 0.90 C ATOM 1244 O GLU A 96 -2.963 6.255 16.019 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.570 3.159 14.943 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.391 2.950 15.879 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.136 2.515 15.148 1.00 1.68 C ATOM 1248 OE1 GLU A 96 -0.262 1.881 14.079 1.00 2.50 O ATOM 1249 OE2 GLU A 96 0.972 2.809 15.644 1.00 1.89 O ATOM 0 H GLU A 96 -4.944 2.851 14.338 1.00 0.73 H new ATOM 0 HA GLU A 96 -3.668 3.900 16.628 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.978 2.188 14.664 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -2.216 3.631 14.026 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -1.191 3.876 16.417 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.652 2.198 16.624 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.844 5.863 13.984 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.693 7.239 13.532 1.00 0.92 C ATOM 1258 C ALA A 97 -4.672 8.156 14.256 1.00 1.00 C ATOM 1259 O ALA A 97 -4.316 9.258 14.673 1.00 1.19 O ATOM 1260 CB ALA A 97 -3.898 7.328 12.027 1.00 0.87 C ATOM 0 H ALA A 97 -4.260 5.236 13.295 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.680 7.567 13.766 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -3.782 8.363 11.705 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.160 6.705 11.522 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -4.900 6.980 11.775 1.00 0.87 H new ATOM 1266 N SER A 98 -5.908 7.688 14.407 1.00 0.92 N ATOM 1267 CA SER A 98 -6.938 8.462 15.088 1.00 1.01 C ATOM 1268 C SER A 98 -6.610 8.607 16.570 1.00 1.07 C ATOM 1269 O SER A 98 -6.934 9.618 17.194 1.00 1.18 O ATOM 1270 CB SER A 98 -8.305 7.795 14.917 1.00 0.99 C ATOM 1271 OG SER A 98 -8.397 6.614 15.693 1.00 1.50 O ATOM 0 H SER A 98 -6.219 6.778 14.067 1.00 0.92 H new ATOM 0 HA SER A 98 -6.971 9.455 14.640 1.00 1.01 H new ATOM 0 HB2 SER A 98 -9.091 8.490 15.212 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.468 7.557 13.866 1.00 0.99 H new ATOM 0 HG SER A 98 -7.516 6.189 15.747 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.961 7.588 17.128 1.00 1.04 N ATOM 1278 CA GLU A 99 -5.583 7.603 18.536 1.00 1.13 C ATOM 1279 C GLU A 99 -4.278 8.366 18.739 1.00 1.27 C ATOM 1280 O GLU A 99 -4.065 8.984 19.781 1.00 1.45 O ATOM 1281 CB GLU A 99 -5.439 6.173 19.062 1.00 1.07 C ATOM 1282 CG GLU A 99 -5.677 6.049 20.558 1.00 1.76 C ATOM 1283 CD GLU A 99 -6.567 4.873 20.912 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -6.423 3.808 20.276 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -7.408 5.018 21.824 1.00 2.68 O ATOM 0 H GLU A 99 -5.687 6.743 16.626 1.00 1.04 H new ATOM 0 HA GLU A 99 -6.370 8.110 19.094 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -6.143 5.528 18.536 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.438 5.808 18.830 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.719 5.941 21.067 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -6.132 6.968 20.927 1.00 1.76 H new ATOM 1292 N GLN A 100 -3.409 8.320 17.733 1.00 1.22 N ATOM 1293 CA GLN A 100 -2.125 9.009 17.800 1.00 1.37 C ATOM 1294 C GLN A 100 -2.275 10.476 17.410 1.00 1.48 C ATOM 1295 O GLN A 100 -1.543 11.336 17.901 1.00 1.63 O ATOM 1296 CB GLN A 100 -1.107 8.326 16.885 1.00 1.33 C ATOM 1297 CG GLN A 100 -0.466 7.093 17.501 1.00 1.96 C ATOM 1298 CD GLN A 100 0.793 7.418 18.282 1.00 2.38 C ATOM 1299 OE1 GLN A 100 1.907 7.222 17.797 1.00 3.19 O ATOM 1300 NE2 GLN A 100 0.620 7.917 19.501 1.00 2.35 N ATOM 0 H GLN A 100 -3.571 7.813 16.863 1.00 1.22 H new ATOM 0 HA GLN A 100 -1.767 8.960 18.828 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.600 8.043 15.955 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.326 9.041 16.627 1.00 1.33 H new ATOM 0 HG2 GLN A 100 -1.184 6.607 18.162 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.226 6.380 16.712 1.00 1.96 H new ATOM 0 HE21 GLN A 100 -0.322 8.063 19.863 1.00 2.35 H new ATOM 0 HE22 GLN A 100 1.429 8.154 20.075 1.00 2.35 H new ATOM 1307 N GLU A 101 -3.228 10.754 16.525 1.00 1.44 N ATOM 1308 CA GLU A 101 -3.476 12.119 16.069 1.00 1.59 C ATOM 1309 C GLU A 101 -2.286 12.654 15.277 1.00 1.58 C ATOM 1310 O GLU A 101 -1.942 13.832 15.373 1.00 1.81 O ATOM 1311 CB GLU A 101 -3.774 13.033 17.261 1.00 1.80 C ATOM 1312 CG GLU A 101 -5.158 13.660 17.216 1.00 2.02 C ATOM 1313 CD GLU A 101 -5.113 15.173 17.121 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -4.209 15.697 16.439 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -5.981 15.833 17.731 1.00 2.68 O ATOM 0 H GLU A 101 -3.841 10.053 16.109 1.00 1.44 H new ATOM 0 HA GLU A 101 -4.345 12.104 15.411 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -3.674 12.459 18.182 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -3.026 13.825 17.296 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -5.705 13.263 16.361 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -5.712 13.373 18.110 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.662 11.780 14.493 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.511 12.164 13.683 1.00 1.36 C ATOM 1324 C LYS A 102 -0.923 12.401 12.232 1.00 1.24 C ATOM 1325 O LYS A 102 -1.971 11.928 11.791 1.00 1.16 O ATOM 1326 CB LYS A 102 0.570 11.082 13.752 1.00 1.37 C ATOM 1327 CG LYS A 102 1.890 11.580 14.317 1.00 1.77 C ATOM 1328 CD LYS A 102 2.091 11.120 15.753 1.00 2.28 C ATOM 1329 CE LYS A 102 2.866 9.814 15.814 1.00 2.19 C ATOM 1330 NZ LYS A 102 2.180 8.725 15.065 1.00 2.36 N ATOM 0 H LYS A 102 -1.934 10.801 14.402 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.108 13.095 14.083 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.209 10.257 14.366 1.00 1.37 H new ATOM 0 HB3 LYS A 102 0.739 10.684 12.751 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.711 11.217 13.699 1.00 1.77 H new ATOM 0 HG3 LYS A 102 1.917 12.669 14.276 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.626 11.888 16.311 1.00 2.28 H new ATOM 0 HD3 LYS A 102 1.122 10.992 16.235 1.00 2.28 H new ATOM 0 HE2 LYS A 102 3.864 9.965 15.402 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.992 9.515 16.855 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 2.666 7.823 15.242 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 1.192 8.654 15.382 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 2.202 8.936 14.047 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.098 13.136 11.465 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.383 13.429 10.057 1.00 1.21 C ATOM 1346 C PRO A 103 -0.727 12.171 9.266 1.00 1.01 C ATOM 1347 O PRO A 103 0.140 11.340 8.996 1.00 0.97 O ATOM 1348 CB PRO A 103 0.925 14.041 9.551 1.00 1.28 C ATOM 1349 CG PRO A 103 1.559 14.631 10.763 1.00 1.36 C ATOM 1350 CD PRO A 103 1.176 13.735 11.910 1.00 1.42 C ATOM 0 HA PRO A 103 -1.247 14.084 9.941 1.00 1.21 H new ATOM 0 HB2 PRO A 103 1.566 13.286 9.096 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.739 14.800 8.791 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.642 14.681 10.652 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.209 15.650 10.930 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.934 12.974 12.096 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.054 14.297 12.836 1.00 1.42 H new ATOM 1358 N LEU A 104 -1.998 12.035 8.903 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.456 10.874 8.149 1.00 0.93 C ATOM 1360 C LEU A 104 -1.735 10.769 6.809 1.00 0.85 C ATOM 1361 O LEU A 104 -1.539 9.671 6.286 1.00 0.78 O ATOM 1362 CB LEU A 104 -3.970 10.943 7.934 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.791 10.041 8.859 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.275 10.181 8.564 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.351 8.590 8.718 1.00 1.51 C ATOM 0 H LEU A 104 -2.728 12.714 9.118 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.222 9.981 8.729 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.296 11.974 8.072 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.189 10.675 6.900 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.616 10.355 9.888 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.842 9.532 9.232 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.581 11.216 8.718 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.469 9.896 7.530 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -4.945 7.963 9.383 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.495 8.265 7.688 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.297 8.502 8.982 1.00 1.51 H new ATOM 1371 N MET A 105 -1.337 11.913 6.257 1.00 0.98 N ATOM 1372 CA MET A 105 -0.632 11.942 4.977 1.00 0.99 C ATOM 1373 C MET A 105 0.500 10.918 4.955 1.00 0.76 C ATOM 1374 O MET A 105 0.473 9.960 4.181 1.00 0.81 O ATOM 1375 CB MET A 105 -0.078 13.344 4.708 1.00 1.22 C ATOM 1376 CG MET A 105 -0.457 13.896 3.345 1.00 1.08 C ATOM 1377 SD MET A 105 -1.993 14.842 3.382 1.00 1.56 S ATOM 1378 CE MET A 105 -3.118 13.631 4.071 1.00 1.27 C ATOM 0 H MET A 105 -1.490 12.831 6.675 1.00 0.98 H new ATOM 0 HA MET A 105 -1.343 11.684 4.192 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.441 14.023 5.479 1.00 1.22 H new ATOM 0 HB3 MET A 105 1.009 13.318 4.791 1.00 1.22 H new ATOM 0 HG2 MET A 105 0.348 14.532 2.978 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.559 13.072 2.639 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.145 13.922 3.851 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.916 12.655 3.631 1.00 1.27 H new ATOM 0 HE3 MET A 105 -2.979 13.578 5.151 1.00 1.27 H new ATOM 1388 N ALA A 106 1.489 11.121 5.820 1.00 0.70 N ATOM 1389 CA ALA A 106 2.622 10.210 5.908 1.00 0.63 C ATOM 1390 C ALA A 106 2.153 8.796 6.231 1.00 0.54 C ATOM 1391 O ALA A 106 2.779 7.811 5.834 1.00 0.61 O ATOM 1392 CB ALA A 106 3.607 10.695 6.961 1.00 0.84 C ATOM 0 H ALA A 106 1.528 11.907 6.468 1.00 0.70 H new ATOM 0 HA ALA A 106 3.124 10.191 4.941 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.449 10.005 7.017 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.968 11.688 6.692 1.00 0.84 H new ATOM 0 HB3 ALA A 106 3.110 10.740 7.930 1.00 0.84 H new ATOM 1398 N HIS A 107 1.037 8.706 6.955 1.00 0.53 N ATOM 1399 CA HIS A 107 0.470 7.418 7.335 1.00 0.60 C ATOM 1400 C HIS A 107 0.242 6.545 6.107 1.00 0.55 C ATOM 1401 O HIS A 107 0.844 5.484 5.974 1.00 0.70 O ATOM 1402 CB HIS A 107 -0.845 7.617 8.088 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.047 6.643 9.207 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -2.048 5.695 9.209 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -0.369 6.473 10.367 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -1.979 4.985 10.321 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -0.968 5.437 11.039 1.00 2.34 N ATOM 0 H HIS A 107 0.509 9.513 7.289 1.00 0.53 H new ATOM 0 HA HIS A 107 1.180 6.914 7.991 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.875 8.630 8.489 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.674 7.528 7.385 1.00 0.70 H new ATOM 0 HD2 HIS A 107 0.484 7.046 10.701 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -2.637 4.174 10.595 1.00 2.26 H new ATOM 0 HE2 HIS A 107 -0.678 5.075 11.947 1.00 2.34 H new ATOM 1416 N TRP A 108 -0.624 7.004 5.206 1.00 0.47 N ATOM 1417 CA TRP A 108 -0.920 6.263 3.982 1.00 0.46 C ATOM 1418 C TRP A 108 0.367 5.769 3.323 1.00 0.43 C ATOM 1419 O TRP A 108 0.512 4.581 3.020 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.696 7.150 3.004 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.165 6.854 2.958 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -3.816 6.068 2.050 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.170 7.347 3.853 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.162 6.043 2.325 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.403 6.822 3.428 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -4.144 8.182 4.972 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.599 7.105 4.084 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -5.331 8.463 5.622 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.544 7.926 5.177 1.00 2.00 C ATOM 0 H TRP A 108 -1.132 7.883 5.300 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.530 5.399 4.245 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.553 8.194 3.282 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.278 7.026 2.005 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.342 5.543 1.234 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -5.867 5.529 1.796 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -3.213 8.601 5.323 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.536 6.691 3.742 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -5.322 9.108 6.488 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -7.455 8.164 5.707 1.00 2.00 H new ATOM 1440 N ALA A 109 1.297 6.696 3.109 1.00 0.47 N ATOM 1441 CA ALA A 109 2.577 6.377 2.488 1.00 0.51 C ATOM 1442 C ALA A 109 3.333 5.305 3.268 1.00 0.49 C ATOM 1443 O ALA A 109 3.960 4.426 2.679 1.00 0.64 O ATOM 1444 CB ALA A 109 3.426 7.634 2.364 1.00 0.62 C ATOM 0 H ALA A 109 1.186 7.679 3.358 1.00 0.47 H new ATOM 0 HA ALA A 109 2.373 5.979 1.494 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.380 7.384 1.899 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.903 8.367 1.749 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.604 8.052 3.355 1.00 0.62 H new ATOM 1450 N HIS A 110 3.282 5.387 4.592 1.00 0.44 N ATOM 1451 CA HIS A 110 3.977 4.423 5.439 1.00 0.53 C ATOM 1452 C HIS A 110 3.189 3.122 5.574 1.00 0.60 C ATOM 1453 O HIS A 110 3.724 2.035 5.351 1.00 0.86 O ATOM 1454 CB HIS A 110 4.231 5.022 6.823 1.00 0.57 C ATOM 1455 CG HIS A 110 5.533 4.601 7.428 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.450 5.495 7.939 1.00 1.58 N ATOM 1457 CD2 HIS A 110 6.071 3.370 7.606 1.00 1.90 C ATOM 1458 CE1 HIS A 110 7.497 4.833 8.402 1.00 1.93 C ATOM 1459 NE2 HIS A 110 7.290 3.543 8.213 1.00 2.16 N ATOM 0 H HIS A 110 2.770 6.107 5.101 1.00 0.44 H new ATOM 0 HA HIS A 110 4.930 4.192 4.963 1.00 0.53 H new ATOM 0 HB2 HIS A 110 4.209 6.109 6.749 1.00 0.57 H new ATOM 0 HB3 HIS A 110 3.419 4.732 7.490 1.00 0.57 H new ATOM 0 HD2 HIS A 110 5.624 2.428 7.323 1.00 1.90 H new ATOM 0 HE1 HIS A 110 8.372 5.273 8.857 1.00 1.93 H new ATOM 0 HE2 HIS A 110 7.932 2.795 8.476 1.00 2.16 H new ATOM 1468 N MET A 111 1.922 3.240 5.953 1.00 0.50 N ATOM 1469 CA MET A 111 1.062 2.077 6.136 1.00 0.59 C ATOM 1470 C MET A 111 0.992 1.223 4.873 1.00 0.59 C ATOM 1471 O MET A 111 0.876 0.000 4.953 1.00 0.78 O ATOM 1472 CB MET A 111 -0.341 2.513 6.563 1.00 0.63 C ATOM 1473 CG MET A 111 -1.025 3.435 5.568 1.00 1.24 C ATOM 1474 SD MET A 111 -2.685 2.882 5.134 1.00 2.04 S ATOM 1475 CE MET A 111 -2.331 1.256 4.479 1.00 1.59 C ATOM 0 H MET A 111 1.466 4.133 6.140 1.00 0.50 H new ATOM 0 HA MET A 111 1.499 1.465 6.925 1.00 0.59 H new ATOM 0 HB2 MET A 111 -0.959 1.627 6.707 1.00 0.63 H new ATOM 0 HB3 MET A 111 -0.277 3.017 7.527 1.00 0.63 H new ATOM 0 HG2 MET A 111 -1.079 4.439 5.988 1.00 1.24 H new ATOM 0 HG3 MET A 111 -0.420 3.500 4.664 1.00 1.24 H new ATOM 0 HE1 MET A 111 -3.253 0.801 4.116 1.00 1.59 H new ATOM 0 HE2 MET A 111 -1.620 1.342 3.657 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.904 0.632 5.264 1.00 1.59 H new ATOM 1485 N VAL A 112 1.070 1.860 3.708 1.00 0.51 N ATOM 1486 CA VAL A 112 1.020 1.123 2.448 1.00 0.58 C ATOM 1487 C VAL A 112 2.334 0.382 2.195 1.00 0.64 C ATOM 1488 O VAL A 112 2.336 -0.813 1.884 1.00 0.78 O ATOM 1489 CB VAL A 112 0.712 2.047 1.251 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.657 2.689 1.412 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.790 3.108 1.093 1.00 1.42 C ATOM 0 H VAL A 112 1.167 2.871 3.609 1.00 0.51 H new ATOM 0 HA VAL A 112 0.210 0.400 2.540 1.00 0.58 H new ATOM 0 HB VAL A 112 0.703 1.440 0.346 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.857 3.337 0.559 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.419 1.912 1.464 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.677 3.279 2.328 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.550 3.747 0.243 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.841 3.713 1.998 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.753 2.626 0.924 1.00 1.42 H new ATOM 1495 N VAL A 113 3.448 1.094 2.340 1.00 0.61 N ATOM 1496 CA VAL A 113 4.766 0.505 2.134 1.00 0.72 C ATOM 1497 C VAL A 113 5.053 -0.566 3.185 1.00 0.82 C ATOM 1498 O VAL A 113 5.811 -1.504 2.938 1.00 1.03 O ATOM 1499 CB VAL A 113 5.875 1.578 2.181 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.255 0.938 2.120 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.697 2.573 1.045 1.00 0.63 C ATOM 0 H VAL A 113 3.463 2.080 2.600 1.00 0.61 H new ATOM 0 HA VAL A 113 4.763 0.047 1.145 1.00 0.72 H new ATOM 0 HB VAL A 113 5.793 2.112 3.128 1.00 0.73 H new ATOM 0 HG11 VAL A 113 8.018 1.715 2.155 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.382 0.266 2.969 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.354 0.374 1.193 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.486 3.323 1.091 1.00 0.63 H new ATOM 0 HG22 VAL A 113 5.750 2.049 0.091 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.727 3.061 1.137 1.00 0.63 H new ATOM 1505 N HIS A 114 4.444 -0.420 4.359 1.00 0.75 N ATOM 1506 CA HIS A 114 4.639 -1.375 5.445 1.00 0.85 C ATOM 1507 C HIS A 114 3.912 -2.686 5.154 1.00 0.96 C ATOM 1508 O HIS A 114 4.511 -3.761 5.185 1.00 1.08 O ATOM 1509 CB HIS A 114 4.166 -0.766 6.777 1.00 0.89 C ATOM 1510 CG HIS A 114 3.087 -1.543 7.476 1.00 0.99 C ATOM 1511 ND1 HIS A 114 1.747 -1.228 7.381 1.00 1.39 N ATOM 1512 CD2 HIS A 114 3.159 -2.629 8.283 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.044 -2.083 8.102 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.876 -2.942 8.658 1.00 1.36 N ATOM 0 H HIS A 114 3.812 0.349 4.582 1.00 0.75 H new ATOM 0 HA HIS A 114 5.703 -1.597 5.525 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.023 -0.679 7.445 1.00 0.89 H new ATOM 0 HB3 HIS A 114 3.804 0.245 6.590 1.00 0.89 H new ATOM 0 HD1 HIS A 114 1.360 -0.456 6.839 1.00 1.39 H new ATOM 0 HD2 HIS A 114 4.058 -3.151 8.576 1.00 1.57 H new ATOM 0 HE1 HIS A 114 -0.030 -2.079 8.217 1.00 1.30 H new ATOM 1523 N GLY A 115 2.618 -2.587 4.878 1.00 1.03 N ATOM 1524 CA GLY A 115 1.823 -3.768 4.595 1.00 1.18 C ATOM 1525 C GLY A 115 2.084 -4.345 3.216 1.00 1.20 C ATOM 1526 O GLY A 115 1.676 -5.470 2.924 1.00 1.36 O ATOM 0 H GLY A 115 2.103 -1.707 4.845 1.00 1.03 H new ATOM 0 HA2 GLY A 115 2.034 -4.529 5.346 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.766 -3.517 4.683 1.00 1.18 H new ATOM 1530 N SER A 116 2.755 -3.580 2.361 1.00 1.17 N ATOM 1531 CA SER A 116 3.054 -4.036 1.007 1.00 1.26 C ATOM 1532 C SER A 116 4.235 -5.002 0.991 1.00 1.36 C ATOM 1533 O SER A 116 4.152 -6.092 0.425 1.00 1.63 O ATOM 1534 CB SER A 116 3.362 -2.843 0.106 1.00 1.31 C ATOM 1535 OG SER A 116 4.344 -2.007 0.689 1.00 1.72 O ATOM 0 H SER A 116 3.101 -2.646 2.580 1.00 1.17 H new ATOM 0 HA SER A 116 2.175 -4.562 0.634 1.00 1.26 H new ATOM 0 HB2 SER A 116 3.710 -3.196 -0.865 1.00 1.31 H new ATOM 0 HB3 SER A 116 2.451 -2.271 -0.071 1.00 1.31 H new ATOM 0 HG SER A 116 5.084 -1.883 0.059 1.00 1.72 H new ATOM 1541 N LEU A 117 5.340 -4.583 1.595 1.00 1.28 N ATOM 1542 CA LEU A 117 6.553 -5.392 1.634 1.00 1.49 C ATOM 1543 C LEU A 117 6.536 -6.410 2.773 1.00 1.69 C ATOM 1544 O LEU A 117 7.427 -7.255 2.866 1.00 1.94 O ATOM 1545 CB LEU A 117 7.774 -4.484 1.778 1.00 1.49 C ATOM 1546 CG LEU A 117 9.118 -5.164 1.517 1.00 1.78 C ATOM 1547 CD1 LEU A 117 10.008 -4.279 0.664 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.803 -5.508 2.830 1.00 2.38 C ATOM 0 H LEU A 117 5.422 -3.683 2.067 1.00 1.28 H new ATOM 0 HA LEU A 117 6.604 -5.948 0.698 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.668 -3.646 1.089 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.783 -4.069 2.786 1.00 1.49 H new ATOM 0 HG LEU A 117 8.936 -6.090 0.972 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.960 -4.781 0.489 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.520 -4.085 -0.291 1.00 2.07 H new ATOM 0 HD13 LEU A 117 10.185 -3.335 1.180 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.758 -5.991 2.626 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.973 -4.596 3.402 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.170 -6.184 3.405 1.00 2.38 H new ATOM 1554 N HIS A 118 5.541 -6.321 3.646 1.00 1.70 N ATOM 1555 CA HIS A 118 5.449 -7.233 4.781 1.00 2.04 C ATOM 1556 C HIS A 118 4.790 -8.557 4.402 1.00 2.25 C ATOM 1557 O HIS A 118 5.128 -9.603 4.956 1.00 2.60 O ATOM 1558 CB HIS A 118 4.668 -6.577 5.921 1.00 2.10 C ATOM 1559 CG HIS A 118 5.530 -5.817 6.880 1.00 2.30 C ATOM 1560 ND1 HIS A 118 5.315 -5.806 8.242 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.618 -5.038 6.668 1.00 2.93 C ATOM 1562 CE1 HIS A 118 6.230 -5.053 8.826 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.033 -4.576 7.892 1.00 3.28 N ATOM 0 H HIS A 118 4.791 -5.632 3.592 1.00 1.70 H new ATOM 0 HA HIS A 118 6.467 -7.449 5.106 1.00 2.04 H new ATOM 0 HB2 HIS A 118 3.925 -5.900 5.499 1.00 2.10 H new ATOM 0 HB3 HIS A 118 4.123 -7.347 6.467 1.00 2.10 H new ATOM 0 HD2 HIS A 118 7.074 -4.821 5.713 1.00 2.93 H new ATOM 0 HE1 HIS A 118 6.308 -4.860 9.886 1.00 3.13 H new ATOM 0 HE2 HIS A 118 7.832 -3.963 8.054 1.00 3.28 H new ATOM 1572 N LEU A 119 3.828 -8.511 3.485 1.00 2.15 N ATOM 1573 CA LEU A 119 3.115 -9.720 3.080 1.00 2.45 C ATOM 1574 C LEU A 119 3.637 -10.321 1.775 1.00 2.53 C ATOM 1575 O LEU A 119 3.368 -11.487 1.486 1.00 2.98 O ATOM 1576 CB LEU A 119 1.619 -9.434 2.947 1.00 2.52 C ATOM 1577 CG LEU A 119 0.772 -10.630 2.498 1.00 2.47 C ATOM 1578 CD1 LEU A 119 -0.465 -10.777 3.373 1.00 3.30 C ATOM 1579 CD2 LEU A 119 0.380 -10.487 1.033 1.00 2.27 C ATOM 0 H LEU A 119 3.526 -7.659 3.012 1.00 2.15 H new ATOM 0 HA LEU A 119 3.291 -10.455 3.865 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.244 -9.082 3.908 1.00 2.52 H new ATOM 0 HB3 LEU A 119 1.481 -8.621 2.234 1.00 2.52 H new ATOM 0 HG LEU A 119 1.373 -11.533 2.607 1.00 2.47 H new ATOM 0 HD11 LEU A 119 -1.050 -11.632 3.035 1.00 3.30 H new ATOM 0 HD12 LEU A 119 -0.162 -10.931 4.409 1.00 3.30 H new ATOM 0 HD13 LEU A 119 -1.070 -9.873 3.303 1.00 3.30 H new ATOM 0 HD21 LEU A 119 -0.221 -11.345 0.732 1.00 2.27 H new ATOM 0 HD22 LEU A 119 -0.199 -9.573 0.899 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.279 -10.440 0.419 1.00 2.27 H new ATOM 1585 N LEU A 120 4.353 -9.538 0.970 1.00 2.25 N ATOM 1586 CA LEU A 120 4.850 -10.054 -0.304 1.00 2.47 C ATOM 1587 C LEU A 120 6.361 -9.881 -0.460 1.00 2.57 C ATOM 1588 O LEU A 120 7.034 -10.762 -0.996 1.00 3.07 O ATOM 1589 CB LEU A 120 4.104 -9.389 -1.470 1.00 2.62 C ATOM 1590 CG LEU A 120 4.747 -8.124 -2.047 1.00 2.70 C ATOM 1591 CD1 LEU A 120 5.625 -8.475 -3.236 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.678 -7.118 -2.452 1.00 2.88 C ATOM 0 H LEU A 120 4.597 -8.568 1.169 1.00 2.25 H new ATOM 0 HA LEU A 120 4.656 -11.127 -0.316 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.002 -10.119 -2.273 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.097 -9.140 -1.136 1.00 2.62 H new ATOM 0 HG LEU A 120 5.370 -7.670 -1.277 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.076 -7.567 -3.636 1.00 3.20 H new ATOM 0 HD12 LEU A 120 6.411 -9.160 -2.918 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.019 -8.950 -4.008 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.154 -6.226 -2.860 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.029 -7.561 -3.208 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.085 -6.846 -1.579 1.00 2.88 H new ATOM 1598 N GLY A 121 6.891 -8.751 -0.008 1.00 2.56 N ATOM 1599 CA GLY A 121 8.318 -8.519 -0.136 1.00 3.27 C ATOM 1600 C GLY A 121 8.718 -8.219 -1.568 1.00 3.49 C ATOM 1601 O GLY A 121 9.370 -9.035 -2.221 1.00 4.12 O ATOM 0 H GLY A 121 6.367 -7.999 0.440 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.609 -7.686 0.504 1.00 3.27 H new ATOM 0 HA3 GLY A 121 8.861 -9.396 0.216 1.00 3.27 H new ATOM 1605 N TYR A 122 8.311 -7.055 -2.065 1.00 3.41 N ATOM 1606 CA TYR A 122 8.615 -6.655 -3.439 1.00 4.05 C ATOM 1607 C TYR A 122 10.062 -6.186 -3.606 1.00 4.04 C ATOM 1608 O TYR A 122 10.400 -5.560 -4.611 1.00 4.29 O ATOM 1609 CB TYR A 122 7.646 -5.566 -3.918 1.00 4.92 C ATOM 1610 CG TYR A 122 7.539 -4.364 -3.004 1.00 4.99 C ATOM 1611 CD1 TYR A 122 6.685 -4.373 -1.908 1.00 5.07 C ATOM 1612 CD2 TYR A 122 8.281 -3.214 -3.246 1.00 5.29 C ATOM 1613 CE1 TYR A 122 6.576 -3.274 -1.080 1.00 5.49 C ATOM 1614 CE2 TYR A 122 8.175 -2.110 -2.421 1.00 5.72 C ATOM 1615 CZ TYR A 122 7.322 -2.145 -1.340 1.00 5.83 C ATOM 1616 OH TYR A 122 7.214 -1.047 -0.517 1.00 6.50 O ATOM 0 H TYR A 122 7.769 -6.370 -1.538 1.00 3.41 H new ATOM 0 HA TYR A 122 8.488 -7.543 -4.058 1.00 4.05 H new ATOM 0 HB2 TYR A 122 7.961 -5.227 -4.905 1.00 4.92 H new ATOM 0 HB3 TYR A 122 6.656 -6.006 -4.034 1.00 4.92 H new ATOM 0 HD1 TYR A 122 6.097 -5.255 -1.700 1.00 5.07 H new ATOM 0 HD2 TYR A 122 8.951 -3.182 -4.092 1.00 5.29 H new ATOM 0 HE1 TYR A 122 5.908 -3.299 -0.231 1.00 5.49 H new ATOM 0 HE2 TYR A 122 8.758 -1.224 -2.623 1.00 5.72 H new ATOM 0 HH TYR A 122 7.935 -0.415 -0.718 1.00 6.50 H new ATOM 1626 N ASP A 123 10.918 -6.499 -2.636 1.00 4.20 N ATOM 1627 CA ASP A 123 12.322 -6.113 -2.712 1.00 4.65 C ATOM 1628 C ASP A 123 13.158 -7.208 -3.378 1.00 4.02 C ATOM 1629 O ASP A 123 14.386 -7.191 -3.309 1.00 4.67 O ATOM 1630 CB ASP A 123 12.869 -5.817 -1.313 1.00 5.43 C ATOM 1631 CG ASP A 123 14.268 -5.234 -1.352 1.00 6.23 C ATOM 1632 OD1 ASP A 123 14.391 -3.995 -1.452 1.00 6.57 O ATOM 1633 OD2 ASP A 123 15.239 -6.015 -1.279 1.00 6.82 O ATOM 0 H ASP A 123 10.665 -7.016 -1.794 1.00 4.20 H new ATOM 0 HA ASP A 123 12.390 -5.211 -3.320 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.202 -5.121 -0.805 1.00 5.43 H new ATOM 0 HB3 ASP A 123 12.877 -6.736 -0.727 1.00 5.43 H new ATOM 1638 N HIS A 124 12.482 -8.161 -4.023 1.00 2.97 N ATOM 1639 CA HIS A 124 13.158 -9.264 -4.701 1.00 2.45 C ATOM 1640 C HIS A 124 14.177 -8.745 -5.711 1.00 2.10 C ATOM 1641 O HIS A 124 14.442 -7.545 -5.764 1.00 2.45 O ATOM 1642 CB HIS A 124 12.135 -10.166 -5.396 1.00 2.23 C ATOM 1643 CG HIS A 124 11.344 -9.480 -6.471 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.407 -8.500 -6.214 1.00 2.46 N ATOM 1645 CD2 HIS A 124 11.352 -9.645 -7.814 1.00 2.98 C ATOM 1646 CE1 HIS A 124 9.874 -8.093 -7.353 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.431 -8.772 -8.339 1.00 3.06 N ATOM 0 H HIS A 124 11.465 -8.189 -4.089 1.00 2.97 H new ATOM 0 HA HIS A 124 13.692 -9.847 -3.950 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.655 -11.019 -5.831 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.446 -10.560 -4.648 1.00 2.23 H new ATOM 0 HD2 HIS A 124 11.969 -10.336 -8.370 1.00 2.98 H new ATOM 0 HE1 HIS A 124 9.113 -7.334 -7.459 1.00 2.83 H new ATOM 0 HE2 HIS A 124 10.213 -8.665 -9.330 1.00 3.06 H new ATOM 1656 N ILE A 125 14.748 -9.663 -6.505 1.00 1.91 N ATOM 1657 CA ILE A 125 15.755 -9.327 -7.523 1.00 2.11 C ATOM 1658 C ILE A 125 16.571 -8.094 -7.139 1.00 2.10 C ATOM 1659 O ILE A 125 16.107 -6.960 -7.261 1.00 1.90 O ATOM 1660 CB ILE A 125 15.128 -9.114 -8.919 1.00 2.32 C ATOM 1661 CG1 ILE A 125 13.956 -8.130 -8.853 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.678 -10.447 -9.503 1.00 2.86 C ATOM 1663 CD1 ILE A 125 14.151 -6.902 -9.711 1.00 3.27 C ATOM 0 H ILE A 125 14.525 -10.657 -6.460 1.00 1.91 H new ATOM 0 HA ILE A 125 16.423 -10.187 -7.571 1.00 2.11 H new ATOM 0 HB ILE A 125 15.887 -8.684 -9.572 1.00 2.32 H new ATOM 0 HG12 ILE A 125 13.045 -8.641 -9.165 1.00 2.52 H new ATOM 0 HG13 ILE A 125 13.809 -7.821 -7.818 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.238 -10.283 -10.487 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.537 -11.112 -9.596 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.937 -10.901 -8.845 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.283 -6.250 -9.615 1.00 3.27 H new ATOM 0 HD12 ILE A 125 15.044 -6.368 -9.385 1.00 3.27 H new ATOM 0 HD13 ILE A 125 14.267 -7.201 -10.753 1.00 3.27 H new ATOM 1667 N GLU A 126 17.788 -8.329 -6.658 1.00 2.54 N ATOM 1668 CA GLU A 126 18.670 -7.249 -6.227 1.00 2.75 C ATOM 1669 C GLU A 126 19.302 -6.493 -7.399 1.00 2.70 C ATOM 1670 O GLU A 126 20.257 -5.741 -7.204 1.00 2.83 O ATOM 1671 CB GLU A 126 19.773 -7.806 -5.327 1.00 3.67 C ATOM 1672 CG GLU A 126 20.578 -8.923 -5.969 1.00 4.39 C ATOM 1673 CD GLU A 126 21.862 -9.221 -5.222 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.517 -8.262 -4.760 1.00 6.01 O ATOM 1675 OE2 GLU A 126 22.215 -10.413 -5.099 1.00 5.87 O ATOM 0 H GLU A 126 18.187 -9.262 -6.557 1.00 2.54 H new ATOM 0 HA GLU A 126 18.053 -6.538 -5.677 1.00 2.75 H new ATOM 0 HB2 GLU A 126 20.448 -6.996 -5.051 1.00 3.67 H new ATOM 0 HB3 GLU A 126 19.325 -8.176 -4.405 1.00 3.67 H new ATOM 0 HG2 GLU A 126 19.969 -9.826 -6.012 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.815 -8.650 -6.997 1.00 4.39 H new ATOM 1682 N ASP A 127 18.788 -6.686 -8.611 1.00 2.79 N ATOM 1683 CA ASP A 127 19.346 -6.003 -9.773 1.00 3.14 C ATOM 1684 C ASP A 127 18.683 -4.643 -10.009 1.00 2.88 C ATOM 1685 O ASP A 127 19.305 -3.600 -9.809 1.00 3.08 O ATOM 1686 CB ASP A 127 19.194 -6.878 -11.020 1.00 3.66 C ATOM 1687 CG ASP A 127 20.477 -7.604 -11.374 1.00 4.67 C ATOM 1688 OD1 ASP A 127 21.406 -6.950 -11.892 1.00 5.15 O ATOM 1689 OD2 ASP A 127 20.552 -8.827 -11.132 1.00 5.29 O ATOM 0 H ASP A 127 17.999 -7.300 -8.812 1.00 2.79 H new ATOM 0 HA ASP A 127 20.403 -5.828 -9.574 1.00 3.14 H new ATOM 0 HB2 ASP A 127 18.401 -7.607 -10.855 1.00 3.66 H new ATOM 0 HB3 ASP A 127 18.887 -6.257 -11.861 1.00 3.66 H new ATOM 1694 N ASP A 128 17.426 -4.660 -10.445 1.00 2.70 N ATOM 1695 CA ASP A 128 16.695 -3.421 -10.719 1.00 2.87 C ATOM 1696 C ASP A 128 15.788 -3.015 -9.559 1.00 2.37 C ATOM 1697 O ASP A 128 16.067 -2.054 -8.843 1.00 2.51 O ATOM 1698 CB ASP A 128 15.870 -3.557 -12.002 1.00 3.34 C ATOM 1699 CG ASP A 128 16.626 -4.268 -13.108 1.00 3.82 C ATOM 1700 OD1 ASP A 128 17.054 -5.420 -12.889 1.00 4.30 O ATOM 1701 OD2 ASP A 128 16.789 -3.672 -14.194 1.00 4.15 O ATOM 0 H ASP A 128 16.893 -5.512 -10.616 1.00 2.70 H new ATOM 0 HA ASP A 128 17.439 -2.635 -10.847 1.00 2.87 H new ATOM 0 HB2 ASP A 128 14.953 -4.104 -11.784 1.00 3.34 H new ATOM 0 HB3 ASP A 128 15.575 -2.566 -12.347 1.00 3.34 H new ATOM 1706 N GLU A 129 14.684 -3.743 -9.410 1.00 2.02 N ATOM 1707 CA GLU A 129 13.690 -3.468 -8.371 1.00 1.94 C ATOM 1708 C GLU A 129 14.327 -3.078 -7.039 1.00 1.62 C ATOM 1709 O GLU A 129 13.856 -2.164 -6.371 1.00 1.65 O ATOM 1710 CB GLU A 129 12.783 -4.685 -8.169 1.00 2.14 C ATOM 1711 CG GLU A 129 11.639 -4.435 -7.201 1.00 3.04 C ATOM 1712 CD GLU A 129 10.325 -4.165 -7.909 1.00 4.10 C ATOM 1713 OE1 GLU A 129 10.138 -4.681 -9.030 1.00 4.72 O ATOM 1714 OE2 GLU A 129 9.484 -3.438 -7.341 1.00 4.68 O ATOM 0 H GLU A 129 14.452 -4.539 -10.004 1.00 2.02 H new ATOM 0 HA GLU A 129 13.101 -2.618 -8.715 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.373 -4.987 -9.133 1.00 2.14 H new ATOM 0 HB3 GLU A 129 13.383 -5.518 -7.803 1.00 2.14 H new ATOM 0 HG2 GLU A 129 11.525 -5.300 -6.548 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.886 -3.585 -6.564 1.00 3.04 H new ATOM 1721 N ALA A 130 15.389 -3.770 -6.651 1.00 1.57 N ATOM 1722 CA ALA A 130 16.061 -3.473 -5.390 1.00 1.56 C ATOM 1723 C ALA A 130 16.449 -1.999 -5.298 1.00 1.41 C ATOM 1724 O ALA A 130 15.951 -1.268 -4.441 1.00 1.33 O ATOM 1725 CB ALA A 130 17.284 -4.356 -5.222 1.00 1.92 C ATOM 0 H ALA A 130 15.802 -4.535 -7.185 1.00 1.57 H new ATOM 0 HA ALA A 130 15.361 -3.683 -4.581 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.774 -4.123 -4.277 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.980 -5.403 -5.224 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.977 -4.178 -6.044 1.00 1.92 H new ATOM 1731 N GLU A 131 17.341 -1.567 -6.186 1.00 1.46 N ATOM 1732 CA GLU A 131 17.795 -0.180 -6.202 1.00 1.46 C ATOM 1733 C GLU A 131 16.617 0.777 -6.353 1.00 1.38 C ATOM 1734 O GLU A 131 16.446 1.699 -5.554 1.00 1.37 O ATOM 1735 CB GLU A 131 18.798 0.038 -7.337 1.00 1.66 C ATOM 1736 CG GLU A 131 20.247 0.034 -6.877 1.00 1.92 C ATOM 1737 CD GLU A 131 20.633 -1.254 -6.177 1.00 2.55 C ATOM 1738 OE1 GLU A 131 20.078 -2.314 -6.538 1.00 2.84 O ATOM 1739 OE2 GLU A 131 21.489 -1.203 -5.270 1.00 3.30 O ATOM 0 H GLU A 131 17.763 -2.157 -6.903 1.00 1.46 H new ATOM 0 HA GLU A 131 18.286 0.027 -5.251 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.661 -0.742 -8.086 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.582 0.989 -7.824 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.898 0.184 -7.738 1.00 1.92 H new ATOM 0 HG3 GLU A 131 20.412 0.874 -6.202 1.00 1.92 H new ATOM 1746 N GLU A 132 15.808 0.551 -7.381 1.00 1.44 N ATOM 1747 CA GLU A 132 14.644 1.391 -7.639 1.00 1.53 C ATOM 1748 C GLU A 132 13.724 1.433 -6.423 1.00 1.29 C ATOM 1749 O GLU A 132 13.413 2.504 -5.903 1.00 1.22 O ATOM 1750 CB GLU A 132 13.876 0.874 -8.859 1.00 1.86 C ATOM 1751 CG GLU A 132 13.368 1.980 -9.770 1.00 2.46 C ATOM 1752 CD GLU A 132 11.991 1.684 -10.334 1.00 2.96 C ATOM 1753 OE1 GLU A 132 11.145 1.153 -9.583 1.00 3.44 O ATOM 1754 OE2 GLU A 132 11.759 1.985 -11.523 1.00 3.37 O ATOM 0 H GLU A 132 15.937 -0.208 -8.050 1.00 1.44 H new ATOM 0 HA GLU A 132 14.994 2.403 -7.842 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.524 0.211 -9.432 1.00 1.86 H new ATOM 0 HB3 GLU A 132 13.030 0.277 -8.519 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.335 2.917 -9.214 1.00 2.46 H new ATOM 0 HG3 GLU A 132 14.071 2.121 -10.591 1.00 2.46 H new ATOM 1761 N MET A 133 13.297 0.257 -5.972 1.00 1.28 N ATOM 1762 CA MET A 133 12.417 0.152 -4.812 1.00 1.23 C ATOM 1763 C MET A 133 13.015 0.876 -3.612 1.00 0.98 C ATOM 1764 O MET A 133 12.343 1.671 -2.958 1.00 0.92 O ATOM 1765 CB MET A 133 12.167 -1.316 -4.462 1.00 1.53 C ATOM 1766 CG MET A 133 11.055 -1.514 -3.448 1.00 1.39 C ATOM 1767 SD MET A 133 11.331 -2.943 -2.385 1.00 2.20 S ATOM 1768 CE MET A 133 11.548 -2.141 -0.799 1.00 2.47 C ATOM 0 H MET A 133 13.547 -0.638 -6.393 1.00 1.28 H new ATOM 0 HA MET A 133 11.467 0.623 -5.065 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.919 -1.862 -5.373 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.087 -1.750 -4.070 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.967 -0.619 -2.832 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.107 -1.634 -3.973 1.00 1.39 H new ATOM 0 HE1 MET A 133 12.128 -2.788 -0.141 1.00 2.47 H new ATOM 0 HE2 MET A 133 12.076 -1.197 -0.938 1.00 2.47 H new ATOM 0 HE3 MET A 133 10.573 -1.949 -0.352 1.00 2.47 H new ATOM 1778 N GLU A 134 14.285 0.605 -3.333 1.00 1.00 N ATOM 1779 CA GLU A 134 14.965 1.249 -2.217 1.00 0.98 C ATOM 1780 C GLU A 134 14.947 2.763 -2.398 1.00 0.85 C ATOM 1781 O GLU A 134 14.609 3.510 -1.478 1.00 0.92 O ATOM 1782 CB GLU A 134 16.407 0.748 -2.108 1.00 1.17 C ATOM 1783 CG GLU A 134 16.576 -0.414 -1.143 1.00 1.00 C ATOM 1784 CD GLU A 134 17.945 -1.056 -1.238 1.00 1.57 C ATOM 1785 OE1 GLU A 134 18.327 -1.476 -2.349 1.00 2.11 O ATOM 1786 OE2 GLU A 134 18.634 -1.142 -0.200 1.00 2.40 O ATOM 0 H GLU A 134 14.861 -0.052 -3.860 1.00 1.00 H new ATOM 0 HA GLU A 134 14.440 0.996 -1.296 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.752 0.442 -3.096 1.00 1.17 H new ATOM 0 HB3 GLU A 134 17.046 1.571 -1.788 1.00 1.17 H new ATOM 0 HG2 GLU A 134 16.414 -0.062 -0.124 1.00 1.00 H new ATOM 0 HG3 GLU A 134 15.812 -1.164 -1.346 1.00 1.00 H new ATOM 1793 N SER A 135 15.302 3.204 -3.602 1.00 0.80 N ATOM 1794 CA SER A 135 15.320 4.624 -3.923 1.00 0.84 C ATOM 1795 C SER A 135 13.941 5.242 -3.716 1.00 0.80 C ATOM 1796 O SER A 135 13.780 6.170 -2.922 1.00 0.82 O ATOM 1797 CB SER A 135 15.777 4.839 -5.367 1.00 0.97 C ATOM 1798 OG SER A 135 16.268 6.155 -5.557 1.00 1.29 O ATOM 0 H SER A 135 15.581 2.595 -4.371 1.00 0.80 H new ATOM 0 HA SER A 135 16.025 5.114 -3.252 1.00 0.84 H new ATOM 0 HB2 SER A 135 16.555 4.118 -5.616 1.00 0.97 H new ATOM 0 HB3 SER A 135 14.944 4.657 -6.046 1.00 0.97 H new ATOM 0 HG SER A 135 16.555 6.266 -6.487 1.00 1.29 H new ATOM 1804 N LEU A 136 12.945 4.722 -4.430 1.00 0.81 N ATOM 1805 CA LEU A 136 11.586 5.233 -4.308 1.00 0.87 C ATOM 1806 C LEU A 136 11.092 5.098 -2.872 1.00 0.73 C ATOM 1807 O LEU A 136 10.623 6.069 -2.279 1.00 0.85 O ATOM 1808 CB LEU A 136 10.635 4.516 -5.274 1.00 0.98 C ATOM 1809 CG LEU A 136 10.608 2.989 -5.168 1.00 1.16 C ATOM 1810 CD1 LEU A 136 9.436 2.534 -4.309 1.00 1.17 C ATOM 1811 CD2 LEU A 136 10.527 2.362 -6.552 1.00 1.73 C ATOM 0 H LEU A 136 13.054 3.954 -5.093 1.00 0.81 H new ATOM 0 HA LEU A 136 11.599 6.290 -4.574 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.625 4.891 -5.106 1.00 0.98 H new ATOM 0 HB3 LEU A 136 10.910 4.786 -6.293 1.00 0.98 H new ATOM 0 HG LEU A 136 11.532 2.660 -4.692 1.00 1.16 H new ATOM 0 HD11 LEU A 136 9.433 1.446 -4.245 1.00 1.17 H new ATOM 0 HD12 LEU A 136 9.533 2.956 -3.309 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.503 2.874 -4.758 1.00 1.17 H new ATOM 0 HD21 LEU A 136 10.509 1.276 -6.459 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.619 2.699 -7.051 1.00 1.73 H new ATOM 0 HD23 LEU A 136 11.396 2.661 -7.138 1.00 1.73 H new ATOM 1817 N GLU A 137 11.215 3.897 -2.307 1.00 0.57 N ATOM 1818 CA GLU A 137 10.791 3.655 -0.930 1.00 0.51 C ATOM 1819 C GLU A 137 11.341 4.735 -0.008 1.00 0.52 C ATOM 1820 O GLU A 137 10.592 5.383 0.727 1.00 0.53 O ATOM 1821 CB GLU A 137 11.260 2.278 -0.455 1.00 0.52 C ATOM 1822 CG GLU A 137 10.630 1.841 0.858 1.00 1.16 C ATOM 1823 CD GLU A 137 9.881 0.528 0.741 1.00 1.87 C ATOM 1824 OE1 GLU A 137 9.415 0.209 -0.374 1.00 2.45 O ATOM 1825 OE2 GLU A 137 9.759 -0.179 1.763 1.00 2.54 O ATOM 0 H GLU A 137 11.603 3.081 -2.780 1.00 0.57 H new ATOM 0 HA GLU A 137 9.702 3.683 -0.900 1.00 0.51 H new ATOM 0 HB2 GLU A 137 11.029 1.540 -1.223 1.00 0.52 H new ATOM 0 HB3 GLU A 137 12.344 2.292 -0.342 1.00 0.52 H new ATOM 0 HG2 GLU A 137 11.408 1.744 1.615 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.945 2.616 1.203 1.00 1.16 H new ATOM 1832 N THR A 138 12.654 4.937 -0.065 1.00 0.57 N ATOM 1833 CA THR A 138 13.298 5.954 0.754 1.00 0.67 C ATOM 1834 C THR A 138 12.820 7.344 0.339 1.00 0.69 C ATOM 1835 O THR A 138 12.823 8.279 1.139 1.00 0.77 O ATOM 1836 CB THR A 138 14.826 5.842 0.637 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.431 5.922 1.915 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.467 6.904 -0.236 1.00 1.10 C ATOM 0 H THR A 138 13.289 4.412 -0.667 1.00 0.57 H new ATOM 0 HA THR A 138 13.024 5.795 1.797 1.00 0.67 H new ATOM 0 HB THR A 138 14.995 4.873 0.166 1.00 0.82 H new ATOM 0 HG1 THR A 138 16.404 5.847 1.822 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.546 6.750 -0.263 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.065 6.835 -1.247 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.251 7.891 0.174 1.00 1.10 H new ATOM 1843 N GLN A 139 12.409 7.468 -0.922 1.00 0.70 N ATOM 1844 CA GLN A 139 11.926 8.738 -1.450 1.00 0.79 C ATOM 1845 C GLN A 139 10.522 9.047 -0.940 1.00 0.67 C ATOM 1846 O GLN A 139 10.184 10.205 -0.698 1.00 0.67 O ATOM 1847 CB GLN A 139 11.936 8.713 -2.978 1.00 0.92 C ATOM 1848 CG GLN A 139 12.124 10.083 -3.608 1.00 1.04 C ATOM 1849 CD GLN A 139 12.372 10.007 -5.102 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.000 9.069 -5.592 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.879 10.998 -5.835 1.00 1.28 N ATOM 0 H GLN A 139 12.402 6.702 -1.596 1.00 0.70 H new ATOM 0 HA GLN A 139 12.595 9.525 -1.102 1.00 0.79 H new ATOM 0 HB2 GLN A 139 12.735 8.054 -3.317 1.00 0.92 H new ATOM 0 HB3 GLN A 139 10.998 8.285 -3.332 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.238 10.690 -3.421 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.963 10.587 -3.129 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.364 11.756 -5.387 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.015 11.001 -6.846 1.00 1.28 H new ATOM 1858 N ILE A 140 9.705 8.012 -0.769 1.00 0.60 N ATOM 1859 CA ILE A 140 8.345 8.203 -0.273 1.00 0.52 C ATOM 1860 C ILE A 140 8.343 8.260 1.249 1.00 0.47 C ATOM 1861 O ILE A 140 7.559 8.990 1.854 1.00 0.48 O ATOM 1862 CB ILE A 140 7.361 7.096 -0.742 1.00 0.49 C ATOM 1863 CG1 ILE A 140 7.985 6.216 -1.831 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.067 7.727 -1.236 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.979 5.389 -2.607 1.00 1.12 C ATOM 0 H ILE A 140 9.956 7.043 -0.964 1.00 0.60 H new ATOM 0 HA ILE A 140 7.997 9.147 -0.692 1.00 0.52 H new ATOM 0 HB ILE A 140 7.140 6.453 0.110 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.532 6.851 -2.528 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.712 5.547 -1.371 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.382 6.944 -1.563 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.608 8.296 -0.428 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.283 8.393 -2.072 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.499 4.794 -3.358 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.448 4.726 -1.923 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.266 6.051 -3.098 1.00 1.12 H new ATOM 1869 N MET A 141 9.224 7.477 1.862 1.00 0.47 N ATOM 1870 CA MET A 141 9.325 7.432 3.314 1.00 0.51 C ATOM 1871 C MET A 141 10.251 8.526 3.847 1.00 0.62 C ATOM 1872 O MET A 141 9.856 9.327 4.695 1.00 0.71 O ATOM 1873 CB MET A 141 9.823 6.059 3.768 1.00 0.51 C ATOM 1874 CG MET A 141 8.862 4.927 3.443 1.00 0.53 C ATOM 1875 SD MET A 141 7.207 5.208 4.102 1.00 1.02 S ATOM 1876 CE MET A 141 6.357 5.807 2.643 1.00 0.44 C ATOM 0 H MET A 141 9.878 6.865 1.375 1.00 0.47 H new ATOM 0 HA MET A 141 8.329 7.607 3.721 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.784 5.856 3.296 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.995 6.081 4.844 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.802 4.806 2.361 1.00 0.53 H new ATOM 0 HG3 MET A 141 9.256 3.994 3.847 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.637 6.573 2.930 1.00 0.44 H new ATOM 0 HE2 MET A 141 7.082 6.232 1.949 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.835 4.981 2.161 1.00 0.44 H new ATOM 1886 N GLN A 142 11.490 8.540 3.361 1.00 0.66 N ATOM 1887 CA GLN A 142 12.478 9.520 3.806 1.00 0.79 C ATOM 1888 C GLN A 142 12.397 10.823 3.011 1.00 0.80 C ATOM 1889 O GLN A 142 12.535 11.908 3.574 1.00 0.85 O ATOM 1890 CB GLN A 142 13.886 8.934 3.693 1.00 0.90 C ATOM 1891 CG GLN A 142 14.892 9.581 4.632 1.00 1.34 C ATOM 1892 CD GLN A 142 16.292 9.025 4.460 1.00 1.47 C ATOM 1893 OE1 GLN A 142 16.706 8.119 5.183 1.00 1.64 O ATOM 1894 NE2 GLN A 142 17.029 9.565 3.496 1.00 1.85 N ATOM 0 H GLN A 142 11.834 7.884 2.659 1.00 0.66 H new ATOM 0 HA GLN A 142 12.256 9.754 4.847 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.843 7.865 3.901 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.236 9.046 2.667 1.00 0.90 H new ATOM 0 HG2 GLN A 142 14.908 10.657 4.456 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.570 9.432 5.663 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.646 10.314 2.920 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.978 9.230 3.332 1.00 1.85 H new ATOM 1901 N GLY A 143 12.191 10.708 1.701 1.00 0.79 N ATOM 1902 CA GLY A 143 12.115 11.887 0.848 1.00 0.84 C ATOM 1903 C GLY A 143 11.298 13.016 1.452 1.00 0.81 C ATOM 1904 O GLY A 143 11.567 14.189 1.193 1.00 1.05 O ATOM 0 H GLY A 143 12.075 9.820 1.213 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.124 12.246 0.646 1.00 0.84 H new ATOM 0 HA3 GLY A 143 11.679 11.605 -0.111 1.00 0.84 H new ATOM 1908 N LEU A 144 10.305 12.665 2.260 1.00 0.75 N ATOM 1909 CA LEU A 144 9.456 13.663 2.899 1.00 0.72 C ATOM 1910 C LEU A 144 9.836 13.844 4.365 1.00 0.87 C ATOM 1911 O LEU A 144 9.588 14.896 4.955 1.00 1.01 O ATOM 1912 CB LEU A 144 7.984 13.262 2.786 1.00 0.62 C ATOM 1913 CG LEU A 144 7.489 13.016 1.359 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.577 11.538 1.015 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.063 13.519 1.194 1.00 0.81 C ATOM 0 H LEU A 144 10.068 11.699 2.488 1.00 0.75 H new ATOM 0 HA LEU A 144 9.606 14.612 2.384 1.00 0.72 H new ATOM 0 HB2 LEU A 144 7.824 12.357 3.371 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.374 14.045 3.236 1.00 0.62 H new ATOM 0 HG LEU A 144 8.129 13.569 0.671 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.221 11.380 -0.003 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.613 11.207 1.093 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.960 10.966 1.708 1.00 0.58 H new ATOM 0 HD21 LEU A 144 5.728 13.335 0.173 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.409 12.994 1.890 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.028 14.589 1.400 1.00 0.81 H new ATOM 1921 N GLY A 145 10.440 12.814 4.951 1.00 0.91 N ATOM 1922 CA GLY A 145 10.843 12.886 6.342 1.00 1.11 C ATOM 1923 C GLY A 145 9.672 12.733 7.293 1.00 1.11 C ATOM 1924 O GLY A 145 9.236 13.702 7.912 1.00 1.24 O ATOM 0 H GLY A 145 10.657 11.932 4.487 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.577 12.106 6.545 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.334 13.842 6.526 1.00 1.11 H new ATOM 1928 N PHE A 146 9.162 11.511 7.408 1.00 1.15 N ATOM 1929 CA PHE A 146 8.034 11.236 8.289 1.00 1.25 C ATOM 1930 C PHE A 146 8.498 11.074 9.733 1.00 1.47 C ATOM 1931 O PHE A 146 7.944 11.695 10.637 1.00 99.99 O ATOM 1932 CB PHE A 146 7.297 9.974 7.833 1.00 1.63 C ATOM 1933 CG PHE A 146 6.804 10.038 6.414 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.346 11.231 5.876 1.00 1.74 C ATOM 1935 CD2 PHE A 146 6.798 8.903 5.619 1.00 1.15 C ATOM 1936 CE1 PHE A 146 5.890 11.289 4.573 1.00 1.65 C ATOM 1937 CE2 PHE A 146 6.343 8.956 4.315 1.00 1.15 C ATOM 1938 CZ PHE A 146 5.889 10.150 3.791 1.00 0.93 C ATOM 0 H PHE A 146 9.512 10.697 6.903 1.00 1.15 H new ATOM 0 HA PHE A 146 7.352 12.084 8.238 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.963 9.118 7.938 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.449 9.801 8.495 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.346 12.125 6.482 1.00 1.74 H new ATOM 0 HD2 PHE A 146 7.153 7.966 6.023 1.00 1.15 H new ATOM 0 HE1 PHE A 146 5.535 12.224 4.166 1.00 1.65 H new ATOM 0 HE2 PHE A 146 6.343 8.064 3.706 1.00 1.15 H new ATOM 0 HZ PHE A 146 5.534 10.194 2.772 1.00 0.93 H new