USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 674 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: B 131 SER OG : rot 180:sc= 0.173 USER MOD Set 1.2: B 134 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 116 SER OG : rot -34:sc= -0.145 USER MOD Set 2.2: B 119 THR OG1 : rot -129:sc= -1.42! USER MOD Set 3.1: A 31 SER OG : rot 84:sc= 0.283 USER MOD Set 3.2: A 34 THR OG1 : rot 180:sc= 0.077 USER MOD Set 4.1: A 16 SER OG : rot -35:sc= -0.0385 USER MOD Set 4.2: A 19 THR OG1 : rot -131:sc= -1.28! USER MOD Single : A 5 THR OG1 : rot 5:sc= 0.875 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 21 SER OG : rot 180:sc= -0.619 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= -0.903 X(o=-0.9,f=-0.74) USER MOD Single : A 28 SER OG : rot -49:sc= 0.133 USER MOD Single : A 29 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.16) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.623) USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.102 (180deg=-0.447) USER MOD Single : A 42 MET CE :methyl -173:sc= -5.19! (180deg=-5.3!) USER MOD Single : A 46 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.35) USER MOD Single : A 47 TYR OH : rot 15:sc= -1.13 USER MOD Single : A 50 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.3!) USER MOD Single : A 55 GLN :FLIP amide:sc= -1.4! C(o=-2.6!,f=-1.4!) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= 0.0785 (180deg=-0.332) USER MOD Single : B 105 THR OG1 : rot -1:sc= 0.977 USER MOD Single : B 107 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 TYR OH : rot -161:sc= 1.26 USER MOD Single : B 121 SER OG : rot 180:sc= -0.885 USER MOD Single : B 125 ASN : amide:sc= 1.11 K(o=1.1,f=-0.32) USER MOD Single : B 126 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.63) USER MOD Single : B 128 SER OG : rot -130:sc= -0.126 USER MOD Single : B 129 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.094) USER MOD Single : B 133 LYS NZ :NH3+ -161:sc= 0.722 (180deg=-0.0186!) USER MOD Single : B 137 LYS NZ :NH3+ -162:sc= -0.0722 (180deg=-0.369) USER MOD Single : B 142 MET CE :methyl -163:sc= -5.55! (180deg=-6.08!) USER MOD Single : B 146 ASN : amide:sc=-0.00819 X(o=-0.0082,f=-0.099) USER MOD Single : B 147 TYR OH : rot -15:sc= -0.449 USER MOD Single : B 150 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.99!) USER MOD Single : B 154 GLN : amide:sc= -0.0687 K(o=-0.069,f=-2.9!) USER MOD Single : B 155 GLN :FLIP amide:sc= -1.67! C(o=-3!,f=-1.7!) USER MOD Single : B 159 LYS NZ :NH3+ 162:sc= -0.0239 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 3.824 15.234 4.634 1.00 10.04 N ATOM 43 CA PRO A 3 5.069 15.290 5.395 1.00 9.38 C ATOM 44 C PRO A 3 6.249 14.741 4.608 1.00 8.65 C ATOM 45 O PRO A 3 6.144 14.482 3.407 1.00 8.77 O ATOM 46 CB PRO A 3 4.802 14.371 6.596 1.00 8.67 C ATOM 47 CG PRO A 3 3.418 13.836 6.413 1.00 9.28 C ATOM 48 CD PRO A 3 3.077 14.022 4.965 1.00 9.72 C ATOM 0 HA PRO A 3 5.327 16.316 5.659 1.00 9.38 H new ATOM 0 HB2 PRO A 3 5.530 13.561 6.636 1.00 8.67 H new ATOM 0 HB3 PRO A 3 4.886 14.921 7.533 1.00 8.67 H new ATOM 0 HG2 PRO A 3 3.369 12.783 6.691 1.00 9.28 H new ATOM 0 HG3 PRO A 3 2.710 14.367 7.049 1.00 9.28 H new ATOM 0 HD2 PRO A 3 3.389 13.171 4.359 1.00 9.72 H new ATOM 0 HD3 PRO A 3 2.005 14.147 4.810 1.00 9.72 H new ATOM 56 N VAL A 4 7.369 14.567 5.285 1.00 8.02 N ATOM 57 CA VAL A 4 8.546 14.008 4.659 1.00 7.33 C ATOM 58 C VAL A 4 8.434 12.498 4.687 1.00 6.03 C ATOM 59 O VAL A 4 7.801 11.941 5.584 1.00 5.70 O ATOM 60 CB VAL A 4 9.841 14.411 5.372 1.00 7.39 C ATOM 61 CG1 VAL A 4 11.051 14.054 4.529 1.00 7.04 C ATOM 62 CG2 VAL A 4 9.830 15.889 5.707 1.00 7.42 C ATOM 0 H VAL A 4 7.485 14.806 6.270 1.00 8.02 H new ATOM 0 HA VAL A 4 8.594 14.394 3.641 1.00 7.33 H new ATOM 0 HB VAL A 4 9.905 13.854 6.307 1.00 7.39 H new ATOM 0 HG11 VAL A 4 11.960 14.349 5.054 1.00 7.04 H new ATOM 0 HG12 VAL A 4 11.067 12.979 4.352 1.00 7.04 H new ATOM 0 HG13 VAL A 4 10.997 14.578 3.575 1.00 7.04 H new ATOM 0 HG21 VAL A 4 10.758 16.154 6.213 1.00 7.42 H new ATOM 0 HG22 VAL A 4 9.738 16.469 4.789 1.00 7.42 H new ATOM 0 HG23 VAL A 4 8.986 16.108 6.361 1.00 7.42 H new ATOM 66 N THR A 5 9.063 11.834 3.740 1.00 5.44 N ATOM 67 CA THR A 5 8.976 10.384 3.680 1.00 4.29 C ATOM 68 C THR A 5 10.249 9.769 3.120 1.00 3.80 C ATOM 69 O THR A 5 11.199 10.480 2.787 1.00 4.42 O ATOM 70 CB THR A 5 7.762 9.938 2.837 1.00 4.62 C ATOM 71 OG1 THR A 5 7.639 10.768 1.675 1.00 4.49 O ATOM 72 CG2 THR A 5 6.470 9.991 3.654 1.00 5.81 C ATOM 0 H THR A 5 9.632 12.263 3.011 1.00 5.44 H new ATOM 0 HA THR A 5 8.846 10.028 4.702 1.00 4.29 H new ATOM 0 HB THR A 5 7.927 8.906 2.529 1.00 4.62 H new ATOM 0 HG1 THR A 5 8.395 11.390 1.636 1.00 4.49 H new ATOM 0 HG21 THR A 5 5.633 9.671 3.033 1.00 5.81 H new ATOM 0 HG22 THR A 5 6.557 9.328 4.515 1.00 5.81 H new ATOM 0 HG23 THR A 5 6.298 11.011 3.997 1.00 5.81 H new ATOM 77 N LEU A 6 10.250 8.449 2.998 1.00 2.83 N ATOM 78 CA LEU A 6 11.419 7.751 2.490 1.00 2.56 C ATOM 79 C LEU A 6 11.596 8.056 1.021 1.00 3.77 C ATOM 80 O LEU A 6 12.703 8.017 0.520 1.00 4.03 O ATOM 81 CB LEU A 6 11.351 6.231 2.705 1.00 2.11 C ATOM 82 CG LEU A 6 10.052 5.683 3.283 1.00 2.71 C ATOM 83 CD1 LEU A 6 9.092 5.286 2.176 1.00 3.42 C ATOM 84 CD2 LEU A 6 10.330 4.489 4.175 1.00 3.03 C ATOM 0 H LEU A 6 9.463 7.847 3.241 1.00 2.83 H new ATOM 0 HA LEU A 6 12.278 8.111 3.057 1.00 2.56 H new ATOM 0 HB2 LEU A 6 11.531 5.743 1.747 1.00 2.11 H new ATOM 0 HB3 LEU A 6 12.167 5.943 3.368 1.00 2.11 H new ATOM 0 HG LEU A 6 9.591 6.471 3.878 1.00 2.71 H new ATOM 0 HD11 LEU A 6 8.172 4.898 2.614 1.00 3.42 H new ATOM 0 HD12 LEU A 6 8.863 6.158 1.563 1.00 3.42 H new ATOM 0 HD13 LEU A 6 9.551 4.517 1.555 1.00 3.42 H new ATOM 0 HD21 LEU A 6 9.391 4.110 4.579 1.00 3.03 H new ATOM 0 HD22 LEU A 6 10.817 3.706 3.594 1.00 3.03 H new ATOM 0 HD23 LEU A 6 10.982 4.791 4.994 1.00 3.03 H new ATOM 90 N TYR A 7 10.501 8.393 0.342 1.00 4.60 N ATOM 91 CA TYR A 7 10.550 8.720 -1.073 1.00 5.89 C ATOM 92 C TYR A 7 11.349 9.991 -1.289 1.00 6.52 C ATOM 93 O TYR A 7 12.090 10.116 -2.256 1.00 7.28 O ATOM 94 CB TYR A 7 9.138 8.919 -1.619 1.00 6.61 C ATOM 95 CG TYR A 7 8.381 7.637 -1.858 1.00 6.45 C ATOM 96 CD1 TYR A 7 7.627 7.062 -0.848 1.00 5.86 C ATOM 97 CD2 TYR A 7 8.412 7.010 -3.098 1.00 7.13 C ATOM 98 CE1 TYR A 7 6.924 5.892 -1.064 1.00 6.07 C ATOM 99 CE2 TYR A 7 7.714 5.840 -3.320 1.00 7.22 C ATOM 100 CZ TYR A 7 6.972 5.286 -2.301 1.00 6.73 C ATOM 101 OH TYR A 7 6.278 4.118 -2.520 1.00 7.14 O ATOM 0 H TYR A 7 9.569 8.445 0.754 1.00 4.60 H new ATOM 0 HA TYR A 7 11.029 7.895 -1.599 1.00 5.89 H new ATOM 0 HB2 TYR A 7 8.574 9.536 -0.920 1.00 6.61 H new ATOM 0 HB3 TYR A 7 9.198 9.473 -2.556 1.00 6.61 H new ATOM 0 HD1 TYR A 7 7.588 7.535 0.122 1.00 5.86 H new ATOM 0 HD2 TYR A 7 8.991 7.445 -3.900 1.00 7.13 H new ATOM 0 HE1 TYR A 7 6.340 5.455 -0.268 1.00 6.07 H new ATOM 0 HE2 TYR A 7 7.750 5.362 -4.288 1.00 7.22 H new ATOM 0 HH TYR A 7 6.417 3.823 -3.444 1.00 7.14 H new ATOM 111 N ASP A 8 11.198 10.915 -0.356 1.00 6.38 N ATOM 112 CA ASP A 8 11.850 12.200 -0.407 1.00 7.25 C ATOM 113 C ASP A 8 13.338 12.048 -0.212 1.00 6.81 C ATOM 114 O ASP A 8 14.129 12.482 -1.046 1.00 7.53 O ATOM 115 CB ASP A 8 11.246 13.078 0.692 1.00 7.59 C ATOM 116 CG ASP A 8 9.800 13.428 0.424 1.00 8.67 C ATOM 117 OD1 ASP A 8 9.506 14.052 -0.620 1.00 8.73 O ATOM 118 OD2 ASP A 8 8.940 13.069 1.255 1.00 9.57 O ATOM 0 H ASP A 8 10.610 10.786 0.467 1.00 6.38 H new ATOM 0 HA ASP A 8 11.696 12.662 -1.382 1.00 7.25 H new ATOM 0 HB2 ASP A 8 11.320 12.560 1.648 1.00 7.59 H new ATOM 0 HB3 ASP A 8 11.828 13.995 0.781 1.00 7.59 H new ATOM 123 N VAL A 9 13.722 11.420 0.882 1.00 5.62 N ATOM 124 CA VAL A 9 15.129 11.226 1.151 1.00 5.09 C ATOM 125 C VAL A 9 15.742 10.250 0.145 1.00 4.97 C ATOM 126 O VAL A 9 16.937 10.309 -0.123 1.00 5.09 O ATOM 127 CB VAL A 9 15.414 10.826 2.625 1.00 4.01 C ATOM 128 CG1 VAL A 9 14.158 10.881 3.473 1.00 3.71 C ATOM 129 CG2 VAL A 9 16.074 9.466 2.742 1.00 4.12 C ATOM 0 H VAL A 9 13.090 11.042 1.587 1.00 5.62 H new ATOM 0 HA VAL A 9 15.621 12.189 1.018 1.00 5.09 H new ATOM 0 HB VAL A 9 16.119 11.564 3.007 1.00 4.01 H new ATOM 0 HG11 VAL A 9 14.398 10.595 4.497 1.00 3.71 H new ATOM 0 HG12 VAL A 9 13.757 11.894 3.464 1.00 3.71 H new ATOM 0 HG13 VAL A 9 13.415 10.193 3.068 1.00 3.71 H new ATOM 0 HG21 VAL A 9 16.251 9.236 3.793 1.00 4.12 H new ATOM 0 HG22 VAL A 9 15.422 8.707 2.309 1.00 4.12 H new ATOM 0 HG23 VAL A 9 17.024 9.476 2.208 1.00 4.12 H new ATOM 133 N ALA A 10 14.919 9.377 -0.427 1.00 5.02 N ATOM 134 CA ALA A 10 15.393 8.437 -1.442 1.00 5.51 C ATOM 135 C ALA A 10 15.662 9.195 -2.730 1.00 6.77 C ATOM 136 O ALA A 10 16.610 8.904 -3.460 1.00 7.18 O ATOM 137 CB ALA A 10 14.384 7.328 -1.691 1.00 5.85 C ATOM 0 H ALA A 10 13.926 9.299 -0.208 1.00 5.02 H new ATOM 0 HA ALA A 10 16.310 7.971 -1.082 1.00 5.51 H new ATOM 0 HB1 ALA A 10 14.770 6.649 -2.451 1.00 5.85 H new ATOM 0 HB2 ALA A 10 14.212 6.778 -0.766 1.00 5.85 H new ATOM 0 HB3 ALA A 10 13.445 7.761 -2.035 1.00 5.85 H new ATOM 143 N GLU A 11 14.823 10.189 -2.974 1.00 7.42 N ATOM 144 CA GLU A 11 14.925 11.036 -4.148 1.00 8.73 C ATOM 145 C GLU A 11 16.169 11.885 -4.015 1.00 8.83 C ATOM 146 O GLU A 11 16.910 12.128 -4.966 1.00 9.64 O ATOM 147 CB GLU A 11 13.692 11.921 -4.222 1.00 9.44 C ATOM 148 CG GLU A 11 12.951 11.817 -5.540 1.00 10.72 C ATOM 149 CD GLU A 11 13.705 12.463 -6.683 1.00 11.43 C ATOM 150 OE1 GLU A 11 13.830 13.703 -6.693 1.00 11.94 O ATOM 151 OE2 GLU A 11 14.177 11.738 -7.579 1.00 11.62 O ATOM 0 H GLU A 11 14.047 10.431 -2.358 1.00 7.42 H new ATOM 0 HA GLU A 11 14.988 10.436 -5.056 1.00 8.73 H new ATOM 0 HB2 GLU A 11 13.014 11.654 -3.411 1.00 9.44 H new ATOM 0 HB3 GLU A 11 13.988 12.958 -4.062 1.00 9.44 H new ATOM 0 HG2 GLU A 11 12.776 10.767 -5.772 1.00 10.72 H new ATOM 0 HG3 GLU A 11 11.973 12.289 -5.441 1.00 10.72 H new ATOM 158 N TYR A 12 16.355 12.328 -2.797 1.00 8.09 N ATOM 159 CA TYR A 12 17.482 13.132 -2.396 1.00 8.25 C ATOM 160 C TYR A 12 18.783 12.356 -2.532 1.00 7.64 C ATOM 161 O TYR A 12 19.693 12.736 -3.273 1.00 8.27 O ATOM 162 CB TYR A 12 17.273 13.479 -0.943 1.00 7.83 C ATOM 163 CG TYR A 12 17.615 14.889 -0.574 1.00 8.89 C ATOM 164 CD1 TYR A 12 16.942 15.965 -1.133 1.00 9.03 C ATOM 165 CD2 TYR A 12 18.606 15.141 0.349 1.00 9.83 C ATOM 166 CE1 TYR A 12 17.257 17.260 -0.775 1.00 10.12 C ATOM 167 CE2 TYR A 12 18.927 16.419 0.710 1.00 10.89 C ATOM 168 CZ TYR A 12 18.254 17.484 0.150 1.00 11.05 C ATOM 169 OH TYR A 12 18.582 18.771 0.522 1.00 12.19 O ATOM 0 H TYR A 12 15.707 12.133 -2.034 1.00 8.09 H new ATOM 0 HA TYR A 12 17.551 14.019 -3.026 1.00 8.25 H new ATOM 0 HB2 TYR A 12 16.229 13.295 -0.688 1.00 7.83 H new ATOM 0 HB3 TYR A 12 17.874 12.804 -0.334 1.00 7.83 H new ATOM 0 HD1 TYR A 12 16.161 15.787 -1.858 1.00 9.03 H new ATOM 0 HD2 TYR A 12 19.138 14.314 0.795 1.00 9.83 H new ATOM 0 HE1 TYR A 12 16.727 18.091 -1.216 1.00 10.12 H new ATOM 0 HE2 TYR A 12 19.708 16.595 1.434 1.00 10.89 H new ATOM 0 HH TYR A 12 19.452 18.769 0.974 1.00 12.19 H new ATOM 179 N ALA A 13 18.835 11.268 -1.779 1.00 6.42 N ATOM 180 CA ALA A 13 19.984 10.388 -1.732 1.00 5.71 C ATOM 181 C ALA A 13 20.310 9.779 -3.095 1.00 6.20 C ATOM 182 O ALA A 13 21.427 9.321 -3.325 1.00 6.25 O ATOM 183 CB ALA A 13 19.763 9.300 -0.696 1.00 4.38 C ATOM 0 H ALA A 13 18.068 10.971 -1.176 1.00 6.42 H new ATOM 0 HA ALA A 13 20.846 10.990 -1.444 1.00 5.71 H new ATOM 0 HB1 ALA A 13 20.632 8.643 -0.667 1.00 4.38 H new ATOM 0 HB2 ALA A 13 19.620 9.755 0.284 1.00 4.38 H new ATOM 0 HB3 ALA A 13 18.878 8.720 -0.960 1.00 4.38 H new ATOM 189 N GLY A 14 19.342 9.782 -3.996 1.00 6.71 N ATOM 190 CA GLY A 14 19.566 9.221 -5.312 1.00 7.50 C ATOM 191 C GLY A 14 19.485 7.715 -5.280 1.00 7.12 C ATOM 192 O GLY A 14 20.266 7.021 -5.931 1.00 7.67 O ATOM 0 H GLY A 14 18.408 10.161 -3.842 1.00 6.71 H new ATOM 0 HA2 GLY A 14 18.826 9.614 -6.009 1.00 7.50 H new ATOM 0 HA3 GLY A 14 20.545 9.528 -5.680 1.00 7.50 H new ATOM 196 N VAL A 15 18.528 7.217 -4.515 1.00 6.34 N ATOM 197 CA VAL A 15 18.304 5.793 -4.355 1.00 6.29 C ATOM 198 C VAL A 15 16.809 5.513 -4.426 1.00 6.88 C ATOM 199 O VAL A 15 16.041 6.337 -4.920 1.00 7.37 O ATOM 200 CB VAL A 15 18.845 5.286 -2.999 1.00 5.09 C ATOM 201 CG1 VAL A 15 20.336 5.474 -2.927 1.00 4.93 C ATOM 202 CG2 VAL A 15 18.187 6.010 -1.835 1.00 4.07 C ATOM 0 H VAL A 15 17.879 7.797 -3.983 1.00 6.34 H new ATOM 0 HA VAL A 15 18.833 5.272 -5.153 1.00 6.29 H new ATOM 0 HB VAL A 15 18.607 4.225 -2.926 1.00 5.09 H new ATOM 0 HG11 VAL A 15 20.702 5.112 -1.966 1.00 4.93 H new ATOM 0 HG12 VAL A 15 20.813 4.914 -3.731 1.00 4.93 H new ATOM 0 HG13 VAL A 15 20.575 6.532 -3.031 1.00 4.93 H new ATOM 0 HG21 VAL A 15 18.589 5.630 -0.896 1.00 4.07 H new ATOM 0 HG22 VAL A 15 18.389 7.079 -1.910 1.00 4.07 H new ATOM 0 HG23 VAL A 15 17.111 5.841 -1.863 1.00 4.07 H new ATOM 206 N SER A 16 16.401 4.358 -3.941 1.00 7.00 N ATOM 207 CA SER A 16 15.000 4.011 -3.921 1.00 7.47 C ATOM 208 C SER A 16 14.532 3.949 -2.483 1.00 6.42 C ATOM 209 O SER A 16 15.318 4.153 -1.555 1.00 5.43 O ATOM 210 CB SER A 16 14.755 2.674 -4.620 1.00 8.50 C ATOM 211 OG SER A 16 15.147 1.589 -3.796 1.00 9.32 O ATOM 0 H SER A 16 17.022 3.646 -3.556 1.00 7.00 H new ATOM 0 HA SER A 16 14.436 4.772 -4.460 1.00 7.47 H new ATOM 0 HB2 SER A 16 13.699 2.580 -4.873 1.00 8.50 H new ATOM 0 HB3 SER A 16 15.311 2.643 -5.557 1.00 8.50 H new ATOM 0 HG SER A 16 15.936 1.843 -3.274 1.00 9.32 H new ATOM 217 N VAL A 17 13.264 3.651 -2.288 1.00 6.67 N ATOM 218 CA VAL A 17 12.719 3.557 -0.959 1.00 5.79 C ATOM 219 C VAL A 17 13.182 2.273 -0.315 1.00 5.68 C ATOM 220 O VAL A 17 13.095 2.100 0.897 1.00 4.87 O ATOM 221 CB VAL A 17 11.194 3.628 -0.990 1.00 6.31 C ATOM 222 CG1 VAL A 17 10.790 4.942 -1.606 1.00 6.98 C ATOM 223 CG2 VAL A 17 10.596 2.457 -1.764 1.00 6.68 C ATOM 0 H VAL A 17 12.595 3.470 -3.037 1.00 6.67 H new ATOM 0 HA VAL A 17 13.077 4.401 -0.369 1.00 5.79 H new ATOM 0 HB VAL A 17 10.809 3.562 0.028 1.00 6.31 H new ATOM 0 HG11 VAL A 17 9.703 5.010 -1.637 1.00 6.98 H new ATOM 0 HG12 VAL A 17 11.189 5.762 -1.008 1.00 6.98 H new ATOM 0 HG13 VAL A 17 11.186 5.006 -2.619 1.00 6.98 H new ATOM 0 HG21 VAL A 17 9.509 2.539 -1.766 1.00 6.68 H new ATOM 0 HG22 VAL A 17 10.963 2.474 -2.790 1.00 6.68 H new ATOM 0 HG23 VAL A 17 10.888 1.520 -1.290 1.00 6.68 H new ATOM 227 N ALA A 18 13.710 1.388 -1.142 1.00 6.73 N ATOM 228 CA ALA A 18 14.213 0.131 -0.668 1.00 7.11 C ATOM 229 C ALA A 18 15.516 0.358 0.052 1.00 6.46 C ATOM 230 O ALA A 18 15.798 -0.284 1.059 1.00 6.56 O ATOM 231 CB ALA A 18 14.399 -0.846 -1.808 1.00 8.51 C ATOM 0 H ALA A 18 13.797 1.527 -2.149 1.00 6.73 H new ATOM 0 HA ALA A 18 13.488 -0.302 0.021 1.00 7.11 H new ATOM 0 HB1 ALA A 18 14.781 -1.790 -1.419 1.00 8.51 H new ATOM 0 HB2 ALA A 18 13.442 -1.017 -2.300 1.00 8.51 H new ATOM 0 HB3 ALA A 18 15.108 -0.436 -2.527 1.00 8.51 H new ATOM 237 N THR A 19 16.309 1.294 -0.451 1.00 5.99 N ATOM 238 CA THR A 19 17.577 1.603 0.165 1.00 5.37 C ATOM 239 C THR A 19 17.351 2.335 1.479 1.00 4.05 C ATOM 240 O THR A 19 17.967 2.031 2.503 1.00 3.79 O ATOM 241 CB THR A 19 18.424 2.465 -0.780 1.00 5.54 C ATOM 242 OG1 THR A 19 17.831 2.455 -2.087 1.00 6.63 O ATOM 243 CG2 THR A 19 19.846 1.935 -0.866 1.00 5.80 C ATOM 0 H THR A 19 16.092 1.846 -1.280 1.00 5.99 H new ATOM 0 HA THR A 19 18.110 0.673 0.366 1.00 5.37 H new ATOM 0 HB THR A 19 18.457 3.483 -0.391 1.00 5.54 H new ATOM 0 HG1 THR A 19 18.519 2.257 -2.757 1.00 6.63 H new ATOM 0 HG21 THR A 19 20.428 2.562 -1.542 1.00 5.80 H new ATOM 0 HG22 THR A 19 20.300 1.950 0.125 1.00 5.80 H new ATOM 0 HG23 THR A 19 19.831 0.912 -1.243 1.00 5.80 H new ATOM 248 N VAL A 20 16.439 3.286 1.431 1.00 3.48 N ATOM 249 CA VAL A 20 16.092 4.087 2.592 1.00 2.24 C ATOM 250 C VAL A 20 15.419 3.262 3.678 1.00 2.45 C ATOM 251 O VAL A 20 15.790 3.375 4.833 1.00 2.38 O ATOM 252 CB VAL A 20 15.214 5.277 2.194 1.00 2.17 C ATOM 253 CG1 VAL A 20 14.723 6.040 3.412 1.00 1.59 C ATOM 254 CG2 VAL A 20 16.016 6.182 1.292 1.00 2.79 C ATOM 0 H VAL A 20 15.917 3.526 0.588 1.00 3.48 H new ATOM 0 HA VAL A 20 17.025 4.468 3.007 1.00 2.24 H new ATOM 0 HB VAL A 20 14.331 4.910 1.670 1.00 2.17 H new ATOM 0 HG11 VAL A 20 14.103 6.877 3.091 1.00 1.59 H new ATOM 0 HG12 VAL A 20 14.135 5.375 4.045 1.00 1.59 H new ATOM 0 HG13 VAL A 20 15.578 6.416 3.975 1.00 1.59 H new ATOM 0 HG21 VAL A 20 15.406 7.036 0.998 1.00 2.79 H new ATOM 0 HG22 VAL A 20 16.901 6.533 1.823 1.00 2.79 H new ATOM 0 HG23 VAL A 20 16.322 5.631 0.402 1.00 2.79 H new ATOM 258 N SER A 21 14.442 2.427 3.323 1.00 3.29 N ATOM 259 CA SER A 21 13.779 1.591 4.300 1.00 3.89 C ATOM 260 C SER A 21 14.789 0.692 4.973 1.00 4.74 C ATOM 261 O SER A 21 14.631 0.347 6.133 1.00 5.36 O ATOM 262 CB SER A 21 12.675 0.763 3.652 1.00 4.80 C ATOM 263 OG SER A 21 11.463 1.493 3.611 1.00 5.42 O ATOM 0 H SER A 21 14.100 2.318 2.368 1.00 3.29 H new ATOM 0 HA SER A 21 13.317 2.233 5.050 1.00 3.89 H new ATOM 0 HB2 SER A 21 12.970 0.481 2.641 1.00 4.80 H new ATOM 0 HB3 SER A 21 12.530 -0.161 4.211 1.00 4.80 H new ATOM 0 HG SER A 21 10.766 0.947 3.190 1.00 5.42 H new ATOM 269 N ARG A 22 15.841 0.324 4.253 1.00 4.95 N ATOM 270 CA ARG A 22 16.870 -0.498 4.836 1.00 5.78 C ATOM 271 C ARG A 22 17.580 0.286 5.908 1.00 5.39 C ATOM 272 O ARG A 22 17.698 -0.175 7.024 1.00 6.16 O ATOM 273 CB ARG A 22 17.860 -0.946 3.790 1.00 6.11 C ATOM 274 CG ARG A 22 17.320 -2.037 2.886 1.00 6.80 C ATOM 275 CD ARG A 22 17.402 -3.399 3.559 1.00 7.67 C ATOM 276 NE ARG A 22 17.206 -4.503 2.621 1.00 8.53 N ATOM 277 CZ ARG A 22 16.894 -5.746 2.995 1.00 9.40 C ATOM 278 NH1 ARG A 22 16.699 -6.030 4.280 1.00 9.56 N ATOM 279 NH2 ARG A 22 16.772 -6.704 2.084 1.00 10.29 N ATOM 0 H ARG A 22 15.995 0.582 3.278 1.00 4.95 H new ATOM 0 HA ARG A 22 16.408 -1.386 5.268 1.00 5.78 H new ATOM 0 HB2 ARG A 22 18.149 -0.089 3.182 1.00 6.11 H new ATOM 0 HB3 ARG A 22 18.763 -1.306 4.284 1.00 6.11 H new ATOM 0 HG2 ARG A 22 16.284 -1.818 2.626 1.00 6.80 H new ATOM 0 HG3 ARG A 22 17.885 -2.054 1.954 1.00 6.80 H new ATOM 0 HD2 ARG A 22 18.374 -3.504 4.040 1.00 7.67 H new ATOM 0 HD3 ARG A 22 16.649 -3.457 4.345 1.00 7.67 H new ATOM 0 HE ARG A 22 17.314 -4.313 1.625 1.00 8.53 H new ATOM 0 HH11 ARG A 22 16.788 -5.297 4.984 1.00 9.56 H new ATOM 0 HH12 ARG A 22 16.461 -6.981 4.562 1.00 9.56 H new ATOM 0 HH21 ARG A 22 16.917 -6.491 1.097 1.00 10.29 H new ATOM 0 HH22 ARG A 22 16.534 -7.653 2.371 1.00 10.29 H new ATOM 293 N VAL A 23 18.004 1.496 5.563 1.00 4.37 N ATOM 294 CA VAL A 23 18.694 2.365 6.508 1.00 4.33 C ATOM 295 C VAL A 23 17.753 2.716 7.648 1.00 4.40 C ATOM 296 O VAL A 23 18.147 2.772 8.811 1.00 5.33 O ATOM 297 CB VAL A 23 19.219 3.646 5.846 1.00 3.40 C ATOM 298 CG1 VAL A 23 19.926 4.510 6.876 1.00 3.55 C ATOM 299 CG2 VAL A 23 20.152 3.305 4.688 1.00 3.56 C ATOM 0 H VAL A 23 17.882 1.898 4.634 1.00 4.37 H new ATOM 0 HA VAL A 23 19.560 1.823 6.888 1.00 4.33 H new ATOM 0 HB VAL A 23 18.376 4.208 5.444 1.00 3.40 H new ATOM 0 HG11 VAL A 23 20.296 5.417 6.398 1.00 3.55 H new ATOM 0 HG12 VAL A 23 19.227 4.777 7.669 1.00 3.55 H new ATOM 0 HG13 VAL A 23 20.763 3.957 7.301 1.00 3.55 H new ATOM 0 HG21 VAL A 23 20.515 4.225 4.230 1.00 3.56 H new ATOM 0 HG22 VAL A 23 20.998 2.727 5.060 1.00 3.56 H new ATOM 0 HG23 VAL A 23 19.611 2.719 3.945 1.00 3.56 H new ATOM 303 N VAL A 24 16.499 2.943 7.289 1.00 3.61 N ATOM 304 CA VAL A 24 15.449 3.218 8.244 1.00 3.77 C ATOM 305 C VAL A 24 15.325 2.023 9.187 1.00 4.89 C ATOM 306 O VAL A 24 14.945 2.150 10.351 1.00 5.58 O ATOM 307 CB VAL A 24 14.118 3.445 7.482 1.00 2.64 C ATOM 308 CG1 VAL A 24 12.913 3.104 8.315 1.00 3.07 C ATOM 309 CG2 VAL A 24 14.012 4.869 6.991 1.00 2.21 C ATOM 0 H VAL A 24 16.184 2.940 6.319 1.00 3.61 H new ATOM 0 HA VAL A 24 15.680 4.112 8.823 1.00 3.77 H new ATOM 0 HB VAL A 24 14.133 2.769 6.627 1.00 2.64 H new ATOM 0 HG11 VAL A 24 12.008 3.281 7.734 1.00 3.07 H new ATOM 0 HG12 VAL A 24 12.958 2.055 8.607 1.00 3.07 H new ATOM 0 HG13 VAL A 24 12.899 3.729 9.208 1.00 3.07 H new ATOM 0 HG21 VAL A 24 13.069 5.002 6.460 1.00 2.21 H new ATOM 0 HG22 VAL A 24 14.049 5.551 7.841 1.00 2.21 H new ATOM 0 HG23 VAL A 24 14.841 5.084 6.317 1.00 2.21 H new ATOM 313 N ASN A 25 15.658 0.859 8.647 1.00 5.31 N ATOM 314 CA ASN A 25 15.626 -0.384 9.405 1.00 6.55 C ATOM 315 C ASN A 25 17.003 -0.704 9.958 1.00 7.52 C ATOM 316 O ASN A 25 17.310 -1.869 10.234 1.00 8.44 O ATOM 317 CB ASN A 25 15.150 -1.540 8.525 1.00 6.78 C ATOM 318 CG ASN A 25 13.649 -1.724 8.536 1.00 6.55 C ATOM 319 OD1 ASN A 25 13.095 -2.403 9.403 1.00 7.29 O ATOM 320 ND2 ASN A 25 12.978 -1.136 7.560 1.00 5.69 N ATOM 0 H ASN A 25 15.956 0.750 7.678 1.00 5.31 H new ATOM 0 HA ASN A 25 14.928 -0.256 10.232 1.00 6.55 H new ATOM 0 HB2 ASN A 25 15.480 -1.367 7.501 1.00 6.78 H new ATOM 0 HB3 ASN A 25 15.624 -2.462 8.861 1.00 6.78 H new ATOM 0 HD21 ASN A 25 11.964 -1.236 7.506 1.00 5.69 H new ATOM 0 HD22 ASN A 25 13.474 -0.582 6.862 1.00 5.69 H new ATOM 327 N GLN A 26 17.826 0.339 10.104 1.00 7.38 N ATOM 328 CA GLN A 26 19.187 0.218 10.629 1.00 8.36 C ATOM 329 C GLN A 26 19.972 -0.701 9.713 1.00 8.53 C ATOM 330 O GLN A 26 20.728 -1.566 10.162 1.00 9.33 O ATOM 331 CB GLN A 26 19.237 -0.289 12.081 1.00 9.59 C ATOM 332 CG GLN A 26 17.937 -0.156 12.854 1.00 9.80 C ATOM 333 CD GLN A 26 17.350 1.240 12.834 1.00 9.62 C ATOM 334 OE1 GLN A 26 18.065 2.244 12.840 1.00 10.45 O ATOM 335 NE2 GLN A 26 16.031 1.303 12.795 1.00 8.63 N ATOM 0 H GLN A 26 17.565 1.294 9.860 1.00 7.38 H new ATOM 0 HA GLN A 26 19.630 1.214 10.651 1.00 8.36 H new ATOM 0 HB2 GLN A 26 19.531 -1.338 12.073 1.00 9.59 H new ATOM 0 HB3 GLN A 26 20.016 0.257 12.614 1.00 9.59 H new ATOM 0 HG2 GLN A 26 17.207 -0.852 12.441 1.00 9.80 H new ATOM 0 HG3 GLN A 26 18.109 -0.452 13.889 1.00 9.80 H new ATOM 0 HE21 GLN A 26 15.479 0.445 12.792 1.00 8.63 H new ATOM 0 HE22 GLN A 26 15.564 2.210 12.768 1.00 8.63 H new ATOM 342 N ALA A 27 19.814 -0.440 8.416 1.00 7.90 N ATOM 343 CA ALA A 27 20.414 -1.211 7.344 1.00 8.11 C ATOM 344 C ALA A 27 20.273 -2.725 7.507 1.00 8.82 C ATOM 345 O ALA A 27 19.634 -3.230 8.430 1.00 9.01 O ATOM 346 CB ALA A 27 21.851 -0.790 7.180 1.00 7.97 C ATOM 0 H ALA A 27 19.247 0.338 8.079 1.00 7.90 H new ATOM 0 HA ALA A 27 19.859 -0.990 6.432 1.00 8.11 H new ATOM 0 HB1 ALA A 27 22.309 -1.365 6.376 1.00 7.97 H new ATOM 0 HB2 ALA A 27 21.894 0.272 6.937 1.00 7.97 H new ATOM 0 HB3 ALA A 27 22.392 -0.971 8.109 1.00 7.97 H new ATOM 352 N SER A 28 20.830 -3.435 6.544 1.00 9.39 N ATOM 353 CA SER A 28 20.818 -4.890 6.509 1.00 10.23 C ATOM 354 C SER A 28 21.802 -5.339 5.444 1.00 10.33 C ATOM 355 O SER A 28 22.567 -6.285 5.627 1.00 11.17 O ATOM 356 CB SER A 28 19.425 -5.456 6.192 1.00 11.03 C ATOM 357 OG SER A 28 18.378 -4.554 6.532 1.00 11.40 O ATOM 0 H SER A 28 21.312 -3.013 5.750 1.00 9.39 H new ATOM 0 HA SER A 28 21.097 -5.264 7.494 1.00 10.23 H new ATOM 0 HB2 SER A 28 19.366 -5.692 5.129 1.00 11.03 H new ATOM 0 HB3 SER A 28 19.285 -6.391 6.734 1.00 11.03 H new ATOM 0 HG SER A 28 18.512 -4.227 7.446 1.00 11.40 H new ATOM 363 N HIS A 29 21.776 -4.617 4.332 1.00 9.57 N ATOM 364 CA HIS A 29 22.651 -4.888 3.201 1.00 9.82 C ATOM 365 C HIS A 29 23.072 -3.582 2.532 1.00 8.86 C ATOM 366 O HIS A 29 23.601 -3.590 1.429 1.00 8.91 O ATOM 367 CB HIS A 29 21.948 -5.792 2.178 1.00 10.11 C ATOM 368 CG HIS A 29 22.304 -7.242 2.295 1.00 11.30 C ATOM 369 ND1 HIS A 29 21.724 -8.224 1.521 1.00 12.35 N ATOM 370 CD2 HIS A 29 23.206 -7.875 3.080 1.00 11.68 C ATOM 371 CE1 HIS A 29 22.254 -9.391 1.825 1.00 13.27 C ATOM 372 NE2 HIS A 29 23.154 -9.208 2.767 1.00 12.89 N ATOM 0 H HIS A 29 21.147 -3.827 4.189 1.00 9.57 H new ATOM 0 HA HIS A 29 23.538 -5.401 3.572 1.00 9.82 H new ATOM 0 HB2 HIS A 29 20.870 -5.683 2.294 1.00 10.11 H new ATOM 0 HB3 HIS A 29 22.197 -5.448 1.174 1.00 10.11 H new ATOM 0 HD2 HIS A 29 23.848 -7.415 3.817 1.00 11.68 H new ATOM 0 HE1 HIS A 29 21.994 -10.338 1.377 1.00 13.27 H new ATOM 0 HE2 HIS A 29 23.721 -9.940 3.195 1.00 12.89 H new ATOM 381 N VAL A 30 22.820 -2.460 3.202 1.00 8.15 N ATOM 382 CA VAL A 30 23.171 -1.155 2.676 1.00 7.28 C ATOM 383 C VAL A 30 24.620 -0.859 3.001 1.00 7.71 C ATOM 384 O VAL A 30 25.072 -1.095 4.127 1.00 8.18 O ATOM 385 CB VAL A 30 22.252 -0.035 3.257 1.00 6.03 C ATOM 386 CG1 VAL A 30 23.034 1.229 3.618 1.00 5.53 C ATOM 387 CG2 VAL A 30 21.148 0.310 2.275 1.00 5.47 C ATOM 0 H VAL A 30 22.370 -2.435 4.117 1.00 8.15 H new ATOM 0 HA VAL A 30 23.027 -1.170 1.596 1.00 7.28 H new ATOM 0 HB VAL A 30 21.816 -0.429 4.175 1.00 6.03 H new ATOM 0 HG11 VAL A 30 22.350 1.978 4.018 1.00 5.53 H new ATOM 0 HG12 VAL A 30 23.788 0.989 4.368 1.00 5.53 H new ATOM 0 HG13 VAL A 30 23.522 1.622 2.726 1.00 5.53 H new ATOM 0 HG21 VAL A 30 20.517 1.092 2.697 1.00 5.47 H new ATOM 0 HG22 VAL A 30 21.588 0.662 1.342 1.00 5.47 H new ATOM 0 HG23 VAL A 30 20.545 -0.577 2.080 1.00 5.47 H new ATOM 391 N SER A 31 25.352 -0.378 2.022 1.00 7.70 N ATOM 392 CA SER A 31 26.735 -0.053 2.230 1.00 8.11 C ATOM 393 C SER A 31 26.848 1.138 3.173 1.00 7.34 C ATOM 394 O SER A 31 25.963 1.994 3.202 1.00 7.15 O ATOM 395 CB SER A 31 27.393 0.244 0.886 1.00 8.37 C ATOM 396 OG SER A 31 26.427 0.188 -0.154 1.00 9.26 O ATOM 0 H SER A 31 25.009 -0.205 1.077 1.00 7.70 H new ATOM 0 HA SER A 31 27.250 -0.897 2.688 1.00 8.11 H new ATOM 0 HB2 SER A 31 27.857 1.230 0.909 1.00 8.37 H new ATOM 0 HB3 SER A 31 28.187 -0.477 0.694 1.00 8.37 H new ATOM 0 HG SER A 31 25.962 1.048 -0.215 1.00 9.26 H new ATOM 402 N ALA A 32 27.922 1.180 3.944 1.00 7.04 N ATOM 403 CA ALA A 32 28.143 2.259 4.900 1.00 6.69 C ATOM 404 C ALA A 32 27.968 3.625 4.248 1.00 5.51 C ATOM 405 O ALA A 32 27.343 4.516 4.823 1.00 5.18 O ATOM 406 CB ALA A 32 29.520 2.141 5.525 1.00 7.54 C ATOM 0 H ALA A 32 28.660 0.476 3.928 1.00 7.04 H new ATOM 0 HA ALA A 32 27.393 2.167 5.685 1.00 6.69 H new ATOM 0 HB1 ALA A 32 29.668 2.954 6.236 1.00 7.54 H new ATOM 0 HB2 ALA A 32 29.604 1.186 6.044 1.00 7.54 H new ATOM 0 HB3 ALA A 32 30.280 2.198 4.745 1.00 7.54 H new ATOM 412 N LYS A 33 28.507 3.782 3.044 1.00 5.14 N ATOM 413 CA LYS A 33 28.397 5.039 2.320 1.00 4.27 C ATOM 414 C LYS A 33 26.941 5.410 2.080 1.00 3.52 C ATOM 415 O LYS A 33 26.540 6.555 2.277 1.00 3.09 O ATOM 416 CB LYS A 33 29.134 4.959 0.995 1.00 4.58 C ATOM 417 CG LYS A 33 30.397 5.799 0.963 1.00 4.41 C ATOM 418 CD LYS A 33 30.095 7.284 0.825 1.00 4.64 C ATOM 419 CE LYS A 33 31.239 8.145 1.350 1.00 5.36 C ATOM 420 NZ LYS A 33 31.466 7.952 2.812 1.00 6.12 N ATOM 0 H LYS A 33 29.024 3.054 2.551 1.00 5.14 H new ATOM 0 HA LYS A 33 28.854 5.815 2.934 1.00 4.27 H new ATOM 0 HB2 LYS A 33 29.391 3.919 0.792 1.00 4.58 H new ATOM 0 HB3 LYS A 33 28.468 5.285 0.196 1.00 4.58 H new ATOM 0 HG2 LYS A 33 30.968 5.629 1.876 1.00 4.41 H new ATOM 0 HG3 LYS A 33 31.024 5.478 0.131 1.00 4.41 H new ATOM 0 HD2 LYS A 33 29.912 7.522 -0.223 1.00 4.64 H new ATOM 0 HD3 LYS A 33 29.181 7.521 1.370 1.00 4.64 H new ATOM 0 HE2 LYS A 33 32.153 7.902 0.807 1.00 5.36 H new ATOM 0 HE3 LYS A 33 31.021 9.195 1.154 1.00 5.36 H new ATOM 0 HZ1 LYS A 33 31.931 8.795 3.205 1.00 6.12 H new ATOM 0 HZ2 LYS A 33 30.553 7.806 3.289 1.00 6.12 H new ATOM 0 HZ3 LYS A 33 32.072 7.120 2.962 1.00 6.12 H new ATOM 434 N THR A 34 26.164 4.435 1.645 1.00 3.69 N ATOM 435 CA THR A 34 24.747 4.634 1.388 1.00 3.13 C ATOM 436 C THR A 34 23.998 4.977 2.662 1.00 2.69 C ATOM 437 O THR A 34 23.104 5.821 2.657 1.00 2.13 O ATOM 438 CB THR A 34 24.121 3.402 0.758 1.00 3.87 C ATOM 439 OG1 THR A 34 24.870 3.005 -0.399 1.00 4.66 O ATOM 440 CG2 THR A 34 22.673 3.671 0.386 1.00 3.46 C ATOM 0 H THR A 34 26.494 3.488 1.460 1.00 3.69 H new ATOM 0 HA THR A 34 24.667 5.469 0.692 1.00 3.13 H new ATOM 0 HB THR A 34 24.143 2.590 1.485 1.00 3.87 H new ATOM 0 HG1 THR A 34 24.460 2.209 -0.797 1.00 4.66 H new ATOM 0 HG21 THR A 34 22.241 2.777 -0.064 1.00 3.46 H new ATOM 0 HG22 THR A 34 22.110 3.935 1.281 1.00 3.46 H new ATOM 0 HG23 THR A 34 22.627 4.494 -0.327 1.00 3.46 H new ATOM 445 N ARG A 35 24.343 4.299 3.736 1.00 3.41 N ATOM 446 CA ARG A 35 23.729 4.572 5.025 1.00 3.80 C ATOM 447 C ARG A 35 23.843 6.063 5.318 1.00 3.65 C ATOM 448 O ARG A 35 22.877 6.713 5.698 1.00 3.56 O ATOM 449 CB ARG A 35 24.406 3.729 6.122 1.00 5.03 C ATOM 450 CG ARG A 35 24.009 4.101 7.546 1.00 5.76 C ATOM 451 CD ARG A 35 24.817 5.261 8.062 1.00 6.34 C ATOM 452 NE ARG A 35 24.446 5.643 9.426 1.00 7.34 N ATOM 453 CZ ARG A 35 25.202 5.435 10.504 1.00 8.26 C ATOM 454 NH1 ARG A 35 26.378 4.828 10.396 1.00 8.43 N ATOM 455 NH2 ARG A 35 24.768 5.843 11.693 1.00 9.19 N ATOM 0 H ARG A 35 25.042 3.557 3.746 1.00 3.41 H new ATOM 0 HA ARG A 35 22.674 4.298 5.005 1.00 3.80 H new ATOM 0 HB2 ARG A 35 24.166 2.679 5.955 1.00 5.03 H new ATOM 0 HB3 ARG A 35 25.487 3.828 6.023 1.00 5.03 H new ATOM 0 HG2 ARG A 35 22.949 4.354 7.574 1.00 5.76 H new ATOM 0 HG3 ARG A 35 24.149 3.240 8.200 1.00 5.76 H new ATOM 0 HD2 ARG A 35 25.875 5.002 8.036 1.00 6.34 H new ATOM 0 HD3 ARG A 35 24.682 6.116 7.400 1.00 6.34 H new ATOM 0 HE ARG A 35 23.545 6.101 9.561 1.00 7.34 H new ATOM 0 HH11 ARG A 35 26.709 4.517 9.483 1.00 8.43 H new ATOM 0 HH12 ARG A 35 26.950 4.673 11.226 1.00 8.43 H new ATOM 0 HH21 ARG A 35 23.865 6.310 11.773 1.00 9.19 H new ATOM 0 HH22 ARG A 35 25.338 5.689 12.524 1.00 9.19 H new ATOM 469 N GLU A 36 25.025 6.595 5.066 1.00 3.88 N ATOM 470 CA GLU A 36 25.294 8.010 5.284 1.00 4.33 C ATOM 471 C GLU A 36 24.512 8.837 4.272 1.00 3.97 C ATOM 472 O GLU A 36 23.951 9.886 4.589 1.00 4.78 O ATOM 473 CB GLU A 36 26.778 8.302 5.128 1.00 4.67 C ATOM 474 CG GLU A 36 27.673 7.517 6.047 1.00 4.99 C ATOM 475 CD GLU A 36 29.065 7.360 5.478 1.00 5.54 C ATOM 476 OE1 GLU A 36 29.423 8.122 4.553 1.00 5.95 O ATOM 477 OE2 GLU A 36 29.814 6.480 5.953 1.00 5.83 O ATOM 0 H GLU A 36 25.821 6.067 4.708 1.00 3.88 H new ATOM 0 HA GLU A 36 24.987 8.271 6.297 1.00 4.33 H new ATOM 0 HB2 GLU A 36 27.068 8.097 4.098 1.00 4.67 H new ATOM 0 HB3 GLU A 36 26.945 9.365 5.301 1.00 4.67 H new ATOM 0 HG2 GLU A 36 27.730 8.018 7.014 1.00 4.99 H new ATOM 0 HG3 GLU A 36 27.239 6.533 6.223 1.00 4.99 H new ATOM 484 N LYS A 37 24.478 8.311 3.058 1.00 3.11 N ATOM 485 CA LYS A 37 23.808 8.920 1.914 1.00 3.31 C ATOM 486 C LYS A 37 22.351 9.274 2.215 1.00 3.41 C ATOM 487 O LYS A 37 21.892 10.389 1.968 1.00 4.34 O ATOM 488 CB LYS A 37 23.845 7.920 0.758 1.00 2.99 C ATOM 489 CG LYS A 37 23.206 8.431 -0.506 1.00 3.65 C ATOM 490 CD LYS A 37 22.705 7.287 -1.372 1.00 3.97 C ATOM 491 CE LYS A 37 23.840 6.445 -1.938 1.00 5.00 C ATOM 492 NZ LYS A 37 24.898 7.269 -2.585 1.00 5.78 N ATOM 0 H LYS A 37 24.928 7.424 2.832 1.00 3.11 H new ATOM 0 HA LYS A 37 24.326 9.847 1.666 1.00 3.31 H new ATOM 0 HB2 LYS A 37 24.882 7.657 0.550 1.00 2.99 H new ATOM 0 HB3 LYS A 37 23.340 7.004 1.065 1.00 2.99 H new ATOM 0 HG2 LYS A 37 22.376 9.091 -0.255 1.00 3.65 H new ATOM 0 HG3 LYS A 37 23.928 9.025 -1.066 1.00 3.65 H new ATOM 0 HD2 LYS A 37 22.044 6.651 -0.782 1.00 3.97 H new ATOM 0 HD3 LYS A 37 22.111 7.690 -2.193 1.00 3.97 H new ATOM 0 HE2 LYS A 37 24.284 5.855 -1.136 1.00 5.00 H new ATOM 0 HE3 LYS A 37 23.437 5.741 -2.666 1.00 5.00 H new ATOM 0 HZ1 LYS A 37 25.516 6.656 -3.154 1.00 5.78 H new ATOM 0 HZ2 LYS A 37 24.456 7.981 -3.201 1.00 5.78 H new ATOM 0 HZ3 LYS A 37 25.462 7.746 -1.853 1.00 5.78 H new ATOM 506 N VAL A 38 21.649 8.310 2.762 1.00 2.59 N ATOM 507 CA VAL A 38 20.249 8.483 3.067 1.00 2.60 C ATOM 508 C VAL A 38 20.029 9.160 4.421 1.00 3.45 C ATOM 509 O VAL A 38 19.080 9.920 4.574 1.00 4.01 O ATOM 510 CB VAL A 38 19.440 7.176 2.978 1.00 1.59 C ATOM 511 CG1 VAL A 38 20.142 6.155 2.119 1.00 1.78 C ATOM 512 CG2 VAL A 38 19.135 6.609 4.343 1.00 1.68 C ATOM 0 H VAL A 38 22.026 7.394 3.006 1.00 2.59 H new ATOM 0 HA VAL A 38 19.870 9.147 2.290 1.00 2.60 H new ATOM 0 HB VAL A 38 18.489 7.422 2.505 1.00 1.59 H new ATOM 0 HG11 VAL A 38 19.546 5.244 2.076 1.00 1.78 H new ATOM 0 HG12 VAL A 38 20.270 6.553 1.112 1.00 1.78 H new ATOM 0 HG13 VAL A 38 21.119 5.929 2.547 1.00 1.78 H new ATOM 0 HG21 VAL A 38 18.563 5.687 4.235 1.00 1.68 H new ATOM 0 HG22 VAL A 38 20.068 6.398 4.866 1.00 1.68 H new ATOM 0 HG23 VAL A 38 18.554 7.332 4.916 1.00 1.68 H new ATOM 516 N GLU A 39 20.893 8.895 5.405 1.00 3.88 N ATOM 517 CA GLU A 39 20.753 9.506 6.702 1.00 5.08 C ATOM 518 C GLU A 39 20.938 10.998 6.575 1.00 6.00 C ATOM 519 O GLU A 39 20.262 11.785 7.243 1.00 6.91 O ATOM 520 CB GLU A 39 21.770 8.914 7.655 1.00 5.69 C ATOM 521 CG GLU A 39 21.402 7.517 8.106 1.00 5.68 C ATOM 522 CD GLU A 39 21.349 7.371 9.614 1.00 6.80 C ATOM 523 OE1 GLU A 39 22.419 7.267 10.248 1.00 7.39 O ATOM 524 OE2 GLU A 39 20.234 7.349 10.175 1.00 7.26 O ATOM 0 H GLU A 39 21.688 8.263 5.316 1.00 3.88 H new ATOM 0 HA GLU A 39 19.757 9.312 7.099 1.00 5.08 H new ATOM 0 HB2 GLU A 39 22.746 8.890 7.170 1.00 5.69 H new ATOM 0 HB3 GLU A 39 21.864 9.560 8.528 1.00 5.69 H new ATOM 0 HG2 GLU A 39 20.431 7.251 7.687 1.00 5.68 H new ATOM 0 HG3 GLU A 39 22.127 6.810 7.704 1.00 5.68 H new ATOM 531 N ALA A 40 21.873 11.378 5.721 1.00 5.87 N ATOM 532 CA ALA A 40 22.128 12.778 5.458 1.00 6.87 C ATOM 533 C ALA A 40 20.912 13.395 4.800 1.00 7.09 C ATOM 534 O ALA A 40 20.504 14.507 5.130 1.00 8.16 O ATOM 535 CB ALA A 40 23.359 12.957 4.583 1.00 6.81 C ATOM 0 H ALA A 40 22.467 10.734 5.199 1.00 5.87 H new ATOM 0 HA ALA A 40 22.322 13.283 6.404 1.00 6.87 H new ATOM 0 HB1 ALA A 40 23.526 14.019 4.402 1.00 6.81 H new ATOM 0 HB2 ALA A 40 24.228 12.534 5.087 1.00 6.81 H new ATOM 0 HB3 ALA A 40 23.207 12.447 3.632 1.00 6.81 H new ATOM 541 N ALA A 41 20.333 12.642 3.875 1.00 6.17 N ATOM 542 CA ALA A 41 19.156 13.069 3.167 1.00 6.47 C ATOM 543 C ALA A 41 18.029 13.259 4.155 1.00 6.62 C ATOM 544 O ALA A 41 17.383 14.296 4.162 1.00 7.57 O ATOM 545 CB ALA A 41 18.776 12.052 2.105 1.00 5.68 C ATOM 0 H ALA A 41 20.673 11.720 3.602 1.00 6.17 H new ATOM 0 HA ALA A 41 19.356 14.015 2.664 1.00 6.47 H new ATOM 0 HB1 ALA A 41 17.883 12.391 1.579 1.00 5.68 H new ATOM 0 HB2 ALA A 41 19.596 11.943 1.395 1.00 5.68 H new ATOM 0 HB3 ALA A 41 18.575 11.090 2.577 1.00 5.68 H new ATOM 551 N MET A 42 17.868 12.265 5.037 1.00 5.83 N ATOM 552 CA MET A 42 16.830 12.263 6.061 1.00 6.11 C ATOM 553 C MET A 42 16.889 13.504 6.928 1.00 7.48 C ATOM 554 O MET A 42 15.890 13.965 7.464 1.00 8.06 O ATOM 555 CB MET A 42 17.006 11.079 6.998 1.00 5.37 C ATOM 556 CG MET A 42 16.641 9.724 6.424 1.00 5.60 C ATOM 557 SD MET A 42 16.744 8.426 7.672 1.00 6.10 S ATOM 558 CE MET A 42 16.513 6.961 6.676 1.00 6.80 C ATOM 0 H MET A 42 18.462 11.436 5.056 1.00 5.83 H new ATOM 0 HA MET A 42 15.880 12.217 5.528 1.00 6.11 H new ATOM 0 HB2 MET A 42 18.046 11.047 7.322 1.00 5.37 H new ATOM 0 HB3 MET A 42 16.400 11.251 7.888 1.00 5.37 H new ATOM 0 HG2 MET A 42 15.630 9.760 6.018 1.00 5.60 H new ATOM 0 HG3 MET A 42 17.309 9.487 5.596 1.00 5.60 H new ATOM 0 HE1 MET A 42 16.428 6.089 7.325 1.00 6.80 H new ATOM 0 HE2 MET A 42 15.603 7.063 6.084 1.00 6.80 H new ATOM 0 HE3 MET A 42 17.367 6.836 6.010 1.00 6.80 H new ATOM 568 N ALA A 43 18.071 14.025 7.050 1.00 8.03 N ATOM 569 CA ALA A 43 18.322 15.182 7.889 1.00 9.31 C ATOM 570 C ALA A 43 17.845 16.482 7.264 1.00 10.25 C ATOM 571 O ALA A 43 17.281 17.336 7.949 1.00 11.28 O ATOM 572 CB ALA A 43 19.805 15.273 8.206 1.00 9.57 C ATOM 0 H ALA A 43 18.899 13.667 6.574 1.00 8.03 H new ATOM 0 HA ALA A 43 17.748 15.043 8.805 1.00 9.31 H new ATOM 0 HB1 ALA A 43 19.990 16.143 8.836 1.00 9.57 H new ATOM 0 HB2 ALA A 43 20.121 14.371 8.731 1.00 9.57 H new ATOM 0 HB3 ALA A 43 20.370 15.370 7.279 1.00 9.57 H new ATOM 578 N GLU A 44 18.056 16.622 5.970 1.00 9.94 N ATOM 579 CA GLU A 44 17.710 17.838 5.269 1.00 10.91 C ATOM 580 C GLU A 44 16.230 18.090 5.244 1.00 11.00 C ATOM 581 O GLU A 44 15.757 19.121 5.720 1.00 11.96 O ATOM 582 CB GLU A 44 18.267 17.786 3.878 1.00 10.69 C ATOM 583 CG GLU A 44 19.718 17.376 3.878 1.00 10.14 C ATOM 584 CD GLU A 44 20.627 18.382 3.206 1.00 10.80 C ATOM 585 OE1 GLU A 44 20.784 18.326 1.970 1.00 10.65 O ATOM 586 OE2 GLU A 44 21.198 19.237 3.915 1.00 11.61 O ATOM 0 H GLU A 44 18.469 15.900 5.380 1.00 9.94 H new ATOM 0 HA GLU A 44 18.152 18.674 5.811 1.00 10.91 H new ATOM 0 HB2 GLU A 44 17.689 17.082 3.280 1.00 10.69 H new ATOM 0 HB3 GLU A 44 18.164 18.764 3.407 1.00 10.69 H new ATOM 0 HG2 GLU A 44 20.047 17.231 4.907 1.00 10.14 H new ATOM 0 HG3 GLU A 44 19.816 16.415 3.373 1.00 10.14 H new ATOM 593 N LEU A 45 15.498 17.152 4.694 1.00 10.01 N ATOM 594 CA LEU A 45 14.067 17.294 4.619 1.00 9.84 C ATOM 595 C LEU A 45 13.416 17.139 5.989 1.00 9.73 C ATOM 596 O LEU A 45 12.309 17.624 6.213 1.00 9.79 O ATOM 597 CB LEU A 45 13.427 16.306 3.646 1.00 8.74 C ATOM 598 CG LEU A 45 14.055 14.918 3.409 1.00 8.44 C ATOM 599 CD1 LEU A 45 15.073 14.924 2.289 1.00 7.77 C ATOM 600 CD2 LEU A 45 14.625 14.317 4.670 1.00 8.82 C ATOM 0 H LEU A 45 15.867 16.289 4.295 1.00 10.01 H new ATOM 0 HA LEU A 45 13.891 18.303 4.246 1.00 9.84 H new ATOM 0 HB2 LEU A 45 12.403 16.142 3.982 1.00 8.74 H new ATOM 0 HB3 LEU A 45 13.369 16.802 2.677 1.00 8.74 H new ATOM 0 HG LEU A 45 13.236 14.273 3.091 1.00 8.44 H new ATOM 0 HD11 LEU A 45 15.483 13.922 2.165 1.00 7.77 H new ATOM 0 HD12 LEU A 45 14.592 15.236 1.362 1.00 7.77 H new ATOM 0 HD13 LEU A 45 15.877 15.618 2.532 1.00 7.77 H new ATOM 0 HD21 LEU A 45 15.054 13.340 4.446 1.00 8.82 H new ATOM 0 HD22 LEU A 45 15.401 14.972 5.067 1.00 8.82 H new ATOM 0 HD23 LEU A 45 13.832 14.204 5.410 1.00 8.82 H new ATOM 606 N ASN A 46 14.123 16.451 6.876 1.00 9.67 N ATOM 607 CA ASN A 46 13.676 16.173 8.246 1.00 9.86 C ATOM 608 C ASN A 46 12.722 14.989 8.208 1.00 8.96 C ATOM 609 O ASN A 46 11.508 15.110 8.362 1.00 9.31 O ATOM 610 CB ASN A 46 13.061 17.407 8.903 1.00 11.24 C ATOM 611 CG ASN A 46 12.525 17.161 10.295 1.00 11.76 C ATOM 612 OD1 ASN A 46 11.347 16.847 10.487 1.00 11.96 O ATOM 613 ND2 ASN A 46 13.380 17.324 11.278 1.00 12.13 N ATOM 0 H ASN A 46 15.041 16.061 6.665 1.00 9.67 H new ATOM 0 HA ASN A 46 14.532 15.915 8.869 1.00 9.86 H new ATOM 0 HB2 ASN A 46 13.813 18.194 8.949 1.00 11.24 H new ATOM 0 HB3 ASN A 46 12.251 17.776 8.273 1.00 11.24 H new ATOM 0 HD21 ASN A 46 13.079 17.191 12.243 1.00 12.13 H new ATOM 0 HD22 ASN A 46 14.345 17.584 11.076 1.00 12.13 H new ATOM 620 N TYR A 47 13.317 13.843 7.948 1.00 7.78 N ATOM 621 CA TYR A 47 12.600 12.593 7.814 1.00 6.85 C ATOM 622 C TYR A 47 12.242 11.951 9.141 1.00 7.42 C ATOM 623 O TYR A 47 13.079 11.813 10.034 1.00 8.24 O ATOM 624 CB TYR A 47 13.433 11.592 7.022 1.00 5.81 C ATOM 625 CG TYR A 47 12.769 10.240 6.921 1.00 4.75 C ATOM 626 CD1 TYR A 47 11.545 10.091 6.287 1.00 4.23 C ATOM 627 CD2 TYR A 47 13.351 9.119 7.491 1.00 4.55 C ATOM 628 CE1 TYR A 47 10.923 8.863 6.221 1.00 3.38 C ATOM 629 CE2 TYR A 47 12.736 7.891 7.425 1.00 3.81 C ATOM 630 CZ TYR A 47 11.523 7.767 6.791 1.00 3.10 C ATOM 631 OH TYR A 47 10.909 6.542 6.726 1.00 2.58 O ATOM 0 H TYR A 47 14.325 13.753 7.822 1.00 7.78 H new ATOM 0 HA TYR A 47 11.672 12.842 7.299 1.00 6.85 H new ATOM 0 HB2 TYR A 47 13.609 11.983 6.020 1.00 5.81 H new ATOM 0 HB3 TYR A 47 14.408 11.480 7.496 1.00 5.81 H new ATOM 0 HD1 TYR A 47 11.071 10.951 5.838 1.00 4.23 H new ATOM 0 HD2 TYR A 47 14.302 9.211 7.995 1.00 4.55 H new ATOM 0 HE1 TYR A 47 9.969 8.763 5.724 1.00 3.38 H new ATOM 0 HE2 TYR A 47 13.205 7.026 7.870 1.00 3.81 H new ATOM 0 HH TYR A 47 10.196 6.569 6.054 1.00 2.58 H new ATOM 641 N ILE A 48 10.990 11.548 9.229 1.00 7.07 N ATOM 642 CA ILE A 48 10.460 10.842 10.374 1.00 7.67 C ATOM 643 C ILE A 48 9.417 9.864 9.846 1.00 6.96 C ATOM 644 O ILE A 48 8.468 10.273 9.175 1.00 6.70 O ATOM 645 CB ILE A 48 9.842 11.792 11.421 1.00 8.58 C ATOM 646 CG1 ILE A 48 10.954 12.562 12.138 1.00 8.92 C ATOM 647 CG2 ILE A 48 8.999 11.014 12.423 1.00 9.60 C ATOM 648 CD1 ILE A 48 10.480 13.382 13.314 1.00 10.05 C ATOM 0 H ILE A 48 10.302 11.706 8.493 1.00 7.07 H new ATOM 0 HA ILE A 48 11.267 10.322 10.891 1.00 7.67 H new ATOM 0 HB ILE A 48 9.190 12.501 10.912 1.00 8.58 H new ATOM 0 HG12 ILE A 48 11.707 11.853 12.483 1.00 8.92 H new ATOM 0 HG13 ILE A 48 11.443 13.223 11.422 1.00 8.92 H new ATOM 0 HG21 ILE A 48 8.573 11.703 13.152 1.00 9.60 H new ATOM 0 HG22 ILE A 48 8.195 10.497 11.899 1.00 9.60 H new ATOM 0 HG23 ILE A 48 9.625 10.284 12.936 1.00 9.60 H new ATOM 0 HD11 ILE A 48 11.329 13.895 13.765 1.00 10.05 H new ATOM 0 HD12 ILE A 48 9.750 14.117 12.975 1.00 10.05 H new ATOM 0 HD13 ILE A 48 10.018 12.726 14.052 1.00 10.05 H new ATOM 652 N PRO A 49 9.583 8.566 10.115 1.00 6.87 N ATOM 653 CA PRO A 49 8.675 7.541 9.616 1.00 6.51 C ATOM 654 C PRO A 49 7.431 7.393 10.474 1.00 5.27 C ATOM 655 O PRO A 49 7.315 8.018 11.530 1.00 5.24 O ATOM 656 CB PRO A 49 9.527 6.276 9.670 1.00 6.99 C ATOM 657 CG PRO A 49 10.513 6.506 10.767 1.00 7.01 C ATOM 658 CD PRO A 49 10.641 7.998 10.965 1.00 7.36 C ATOM 0 HA PRO A 49 8.293 7.776 8.622 1.00 6.51 H new ATOM 0 HB2 PRO A 49 8.913 5.398 9.871 1.00 6.99 H new ATOM 0 HB3 PRO A 49 10.031 6.101 8.719 1.00 6.99 H new ATOM 0 HG2 PRO A 49 10.180 6.025 11.687 1.00 7.01 H new ATOM 0 HG3 PRO A 49 11.479 6.070 10.511 1.00 7.01 H new ATOM 0 HD2 PRO A 49 10.504 8.274 12.010 1.00 7.36 H new ATOM 0 HD3 PRO A 49 11.626 8.356 10.667 1.00 7.36 H new ATOM 666 N ASN A 50 6.491 6.571 10.023 1.00 4.55 N ATOM 667 CA ASN A 50 5.273 6.338 10.751 1.00 3.45 C ATOM 668 C ASN A 50 5.346 4.950 11.359 1.00 3.10 C ATOM 669 O ASN A 50 5.580 3.969 10.655 1.00 2.62 O ATOM 670 CB ASN A 50 4.080 6.470 9.808 1.00 3.29 C ATOM 671 CG ASN A 50 3.469 7.850 9.844 1.00 3.62 C ATOM 672 OD1 ASN A 50 3.485 8.530 10.869 1.00 4.20 O ATOM 673 ND2 ASN A 50 2.918 8.273 8.725 1.00 3.84 N ATOM 0 H ASN A 50 6.561 6.055 9.146 1.00 4.55 H new ATOM 0 HA ASN A 50 5.148 7.072 11.547 1.00 3.45 H new ATOM 0 HB2 ASN A 50 4.398 6.242 8.790 1.00 3.29 H new ATOM 0 HB3 ASN A 50 3.323 5.733 10.078 1.00 3.29 H new ATOM 0 HD21 ASN A 50 2.484 9.195 8.687 1.00 3.84 H new ATOM 0 HD22 ASN A 50 2.926 7.678 7.896 1.00 3.84 H new ATOM 680 N ARG A 51 5.148 4.879 12.663 1.00 3.89 N ATOM 681 CA ARG A 51 5.248 3.624 13.401 1.00 4.34 C ATOM 682 C ARG A 51 4.315 2.531 12.884 1.00 3.81 C ATOM 683 O ARG A 51 4.652 1.357 12.967 1.00 4.28 O ATOM 684 CB ARG A 51 5.005 3.859 14.891 1.00 5.51 C ATOM 685 CG ARG A 51 6.227 3.568 15.748 1.00 6.26 C ATOM 686 CD ARG A 51 7.326 4.598 15.529 1.00 6.58 C ATOM 687 NE ARG A 51 8.526 4.017 14.921 1.00 7.49 N ATOM 688 CZ ARG A 51 9.697 4.649 14.821 1.00 8.15 C ATOM 689 NH1 ARG A 51 9.838 5.881 15.290 1.00 8.03 N ATOM 690 NH2 ARG A 51 10.729 4.049 14.248 1.00 9.09 N ATOM 0 H ARG A 51 4.914 5.685 13.243 1.00 3.89 H new ATOM 0 HA ARG A 51 6.264 3.263 13.242 1.00 4.34 H new ATOM 0 HB2 ARG A 51 4.699 4.894 15.044 1.00 5.51 H new ATOM 0 HB3 ARG A 51 4.178 3.230 15.222 1.00 5.51 H new ATOM 0 HG2 ARG A 51 5.940 3.560 16.800 1.00 6.26 H new ATOM 0 HG3 ARG A 51 6.608 2.574 15.513 1.00 6.26 H new ATOM 0 HD2 ARG A 51 6.949 5.397 14.890 1.00 6.58 H new ATOM 0 HD3 ARG A 51 7.590 5.052 16.484 1.00 6.58 H new ATOM 0 HE ARG A 51 8.462 3.069 14.551 1.00 7.49 H new ATOM 0 HH11 ARG A 51 9.048 6.352 15.731 1.00 8.03 H new ATOM 0 HH12 ARG A 51 10.736 6.358 15.210 1.00 8.03 H new ATOM 0 HH21 ARG A 51 10.630 3.102 13.882 1.00 9.09 H new ATOM 0 HH22 ARG A 51 11.623 4.534 14.172 1.00 9.09 H new ATOM 704 N CYS A 52 3.175 2.898 12.316 1.00 3.19 N ATOM 705 CA CYS A 52 2.230 1.898 11.827 1.00 2.95 C ATOM 706 C CYS A 52 2.678 1.389 10.480 1.00 2.88 C ATOM 707 O CYS A 52 2.665 0.193 10.224 1.00 3.71 O ATOM 708 CB CYS A 52 0.820 2.475 11.744 1.00 2.58 C ATOM 709 SG CYS A 52 -0.521 1.274 12.062 1.00 2.86 S ATOM 0 H CYS A 52 2.882 3.866 12.182 1.00 3.19 H new ATOM 0 HA CYS A 52 2.207 1.065 12.530 1.00 2.95 H new ATOM 0 HB2 CYS A 52 0.734 3.292 12.461 1.00 2.58 H new ATOM 0 HB3 CYS A 52 0.676 2.904 10.753 1.00 2.58 H new ATOM 714 N ALA A 53 3.049 2.309 9.615 1.00 2.29 N ATOM 715 CA ALA A 53 3.553 1.944 8.303 1.00 2.63 C ATOM 716 C ALA A 53 4.699 0.950 8.457 1.00 3.31 C ATOM 717 O ALA A 53 4.816 -0.009 7.697 1.00 4.21 O ATOM 718 CB ALA A 53 4.004 3.180 7.551 1.00 2.26 C ATOM 0 H ALA A 53 3.012 3.313 9.793 1.00 2.29 H new ATOM 0 HA ALA A 53 2.757 1.473 7.726 1.00 2.63 H new ATOM 0 HB1 ALA A 53 4.380 2.892 6.569 1.00 2.26 H new ATOM 0 HB2 ALA A 53 3.161 3.861 7.432 1.00 2.26 H new ATOM 0 HB3 ALA A 53 4.796 3.678 8.111 1.00 2.26 H new ATOM 724 N GLN A 54 5.520 1.180 9.479 1.00 3.34 N ATOM 725 CA GLN A 54 6.637 0.321 9.792 1.00 4.41 C ATOM 726 C GLN A 54 6.148 -0.986 10.409 1.00 5.45 C ATOM 727 O GLN A 54 6.687 -2.052 10.131 1.00 6.36 O ATOM 728 CB GLN A 54 7.556 1.039 10.761 1.00 4.66 C ATOM 729 CG GLN A 54 8.209 2.267 10.162 1.00 3.96 C ATOM 730 CD GLN A 54 9.491 2.605 10.851 1.00 3.99 C ATOM 731 OE1 GLN A 54 9.533 3.417 11.769 1.00 4.81 O ATOM 732 NE2 GLN A 54 10.542 1.958 10.424 1.00 3.29 N ATOM 0 H GLN A 54 5.420 1.974 10.111 1.00 3.34 H new ATOM 0 HA GLN A 54 7.178 0.086 8.876 1.00 4.41 H new ATOM 0 HB2 GLN A 54 6.987 1.332 11.643 1.00 4.66 H new ATOM 0 HB3 GLN A 54 8.331 0.350 11.096 1.00 4.66 H new ATOM 0 HG2 GLN A 54 8.400 2.097 9.102 1.00 3.96 H new ATOM 0 HG3 GLN A 54 7.525 3.113 10.231 1.00 3.96 H new ATOM 0 HE21 GLN A 54 10.454 1.292 9.656 1.00 3.29 H new ATOM 0 HE22 GLN A 54 11.451 2.118 10.858 1.00 3.29 H new ATOM 739 N GLN A 55 5.154 -0.875 11.283 1.00 5.39 N ATOM 740 CA GLN A 55 4.572 -2.035 11.941 1.00 6.43 C ATOM 741 C GLN A 55 3.935 -2.952 10.911 1.00 6.63 C ATOM 742 O GLN A 55 4.045 -4.175 10.988 1.00 7.65 O ATOM 743 CB GLN A 55 3.551 -1.592 12.971 1.00 6.55 C ATOM 744 CG GLN A 55 4.143 -1.310 14.337 1.00 6.70 C ATOM 745 CD GLN A 55 5.088 -2.386 14.814 1.00 7.86 C ATOM 746 OE1 GLN A 55 6.310 -2.312 14.338 1.00 7.98 O flip ATOM 747 NE2 GLN A 55 4.714 -3.277 15.578 1.00 8.84 N flip ATOM 0 H GLN A 55 4.733 0.014 11.553 1.00 5.39 H new ATOM 0 HA GLN A 55 5.360 -2.587 12.454 1.00 6.43 H new ATOM 0 HB2 GLN A 55 3.051 -0.694 12.610 1.00 6.55 H new ATOM 0 HB3 GLN A 55 2.788 -2.364 13.068 1.00 6.55 H new ATOM 0 HG2 GLN A 55 4.674 -0.358 14.305 1.00 6.70 H new ATOM 0 HG3 GLN A 55 3.334 -1.200 15.060 1.00 6.70 H new ATOM 0 HE21 GLN A 55 3.752 -3.287 15.918 1.00 8.84 H new ATOM 0 HE22 GLN A 55 5.366 -4.005 15.871 1.00 8.84 H new ATOM 754 N LEU A 56 3.258 -2.341 9.955 1.00 5.82 N ATOM 755 CA LEU A 56 2.620 -3.063 8.874 1.00 6.26 C ATOM 756 C LEU A 56 3.652 -3.692 7.939 1.00 7.28 C ATOM 757 O LEU A 56 3.702 -4.907 7.771 1.00 8.06 O ATOM 758 CB LEU A 56 1.755 -2.080 8.089 1.00 5.52 C ATOM 759 CG LEU A 56 0.625 -2.710 7.291 1.00 5.69 C ATOM 760 CD1 LEU A 56 -0.212 -3.563 8.211 1.00 5.59 C ATOM 761 CD2 LEU A 56 -0.226 -1.638 6.630 1.00 5.39 C ATOM 0 H LEU A 56 3.136 -1.329 9.908 1.00 5.82 H new ATOM 0 HA LEU A 56 2.015 -3.868 9.292 1.00 6.26 H new ATOM 0 HB2 LEU A 56 1.329 -1.359 8.786 1.00 5.52 H new ATOM 0 HB3 LEU A 56 2.395 -1.523 7.405 1.00 5.52 H new ATOM 0 HG LEU A 56 1.044 -3.335 6.502 1.00 5.69 H new ATOM 0 HD11 LEU A 56 -1.025 -4.018 7.646 1.00 5.59 H new ATOM 0 HD12 LEU A 56 0.409 -4.345 8.647 1.00 5.59 H new ATOM 0 HD13 LEU A 56 -0.626 -2.943 9.006 1.00 5.59 H new ATOM 0 HD21 LEU A 56 -1.029 -2.109 6.064 1.00 5.39 H new ATOM 0 HD22 LEU A 56 -0.653 -0.990 7.395 1.00 5.39 H new ATOM 0 HD23 LEU A 56 0.393 -1.045 5.957 1.00 5.39 H new ATOM 767 N ALA A 57 4.471 -2.842 7.348 1.00 7.34 N ATOM 768 CA ALA A 57 5.516 -3.281 6.421 1.00 8.24 C ATOM 769 C ALA A 57 6.499 -4.246 7.080 1.00 9.32 C ATOM 770 O ALA A 57 7.028 -5.148 6.431 1.00 10.11 O ATOM 771 CB ALA A 57 6.253 -2.086 5.844 1.00 8.30 C ATOM 0 H ALA A 57 4.437 -1.833 7.491 1.00 7.34 H new ATOM 0 HA ALA A 57 5.024 -3.820 5.611 1.00 8.24 H new ATOM 0 HB1 ALA A 57 7.026 -2.432 5.157 1.00 8.30 H new ATOM 0 HB2 ALA A 57 5.550 -1.449 5.308 1.00 8.30 H new ATOM 0 HB3 ALA A 57 6.714 -1.518 6.652 1.00 8.30 H new ATOM 777 N GLY A 58 6.735 -4.062 8.366 1.00 9.47 N ATOM 778 CA GLY A 58 7.647 -4.925 9.086 1.00 10.56 C ATOM 779 C GLY A 58 6.998 -6.234 9.486 1.00 11.35 C ATOM 780 O GLY A 58 7.650 -7.120 10.039 1.00 12.26 O ATOM 0 H GLY A 58 6.309 -3.326 8.929 1.00 9.47 H new ATOM 0 HA2 GLY A 58 8.519 -5.128 8.465 1.00 10.56 H new ATOM 0 HA3 GLY A 58 8.004 -4.410 9.978 1.00 10.56 H new ATOM 784 N LYS A 59 5.713 -6.356 9.200 1.00 11.16 N ATOM 785 CA LYS A 59 4.963 -7.553 9.527 1.00 12.06 C ATOM 786 C LYS A 59 4.989 -8.550 8.369 1.00 12.61 C ATOM 787 O LYS A 59 4.273 -9.551 8.389 1.00 13.49 O ATOM 788 CB LYS A 59 3.520 -7.193 9.871 1.00 12.17 C ATOM 789 CG LYS A 59 2.827 -8.200 10.781 1.00 13.28 C ATOM 790 CD LYS A 59 1.362 -8.378 10.400 1.00 13.70 C ATOM 791 CE LYS A 59 1.210 -9.249 9.165 1.00 13.92 C ATOM 792 NZ LYS A 59 1.606 -10.656 9.433 1.00 14.63 N ATOM 0 H LYS A 59 5.164 -5.631 8.737 1.00 11.16 H new ATOM 0 HA LYS A 59 5.432 -8.020 10.393 1.00 12.06 H new ATOM 0 HB2 LYS A 59 3.506 -6.215 10.352 1.00 12.17 H new ATOM 0 HB3 LYS A 59 2.949 -7.102 8.947 1.00 12.17 H new ATOM 0 HG2 LYS A 59 3.339 -9.160 10.721 1.00 13.28 H new ATOM 0 HG3 LYS A 59 2.897 -7.866 11.816 1.00 13.28 H new ATOM 0 HD2 LYS A 59 0.821 -8.827 11.232 1.00 13.70 H new ATOM 0 HD3 LYS A 59 0.912 -7.403 10.216 1.00 13.70 H new ATOM 0 HE2 LYS A 59 0.175 -9.221 8.825 1.00 13.92 H new ATOM 0 HE3 LYS A 59 1.822 -8.846 8.358 1.00 13.92 H new ATOM 0 HZ1 LYS A 59 1.021 -11.297 8.859 1.00 14.63 H new ATOM 0 HZ2 LYS A 59 2.608 -10.788 9.186 1.00 14.63 H new ATOM 0 HZ3 LYS A 59 1.467 -10.870 10.441 1.00 14.63 H new ATOM 888 N PRO B 103 -4.009 -14.942 6.110 1.00 3.93 N ATOM 889 CA PRO B 103 -5.239 -14.872 6.889 1.00 3.60 C ATOM 890 C PRO B 103 -6.423 -14.407 6.052 1.00 3.24 C ATOM 891 O PRO B 103 -6.330 -14.288 4.829 1.00 3.27 O ATOM 892 CB PRO B 103 -4.929 -13.812 7.957 1.00 3.69 C ATOM 893 CG PRO B 103 -3.541 -13.325 7.673 1.00 4.16 C ATOM 894 CD PRO B 103 -3.243 -13.703 6.252 1.00 4.23 C ATOM 0 HA PRO B 103 -5.515 -15.847 7.290 1.00 3.60 H new ATOM 0 HB2 PRO B 103 -5.646 -12.992 7.911 1.00 3.69 H new ATOM 0 HB3 PRO B 103 -4.995 -14.238 8.958 1.00 3.69 H new ATOM 0 HG2 PRO B 103 -3.472 -12.246 7.811 1.00 4.16 H new ATOM 0 HG3 PRO B 103 -2.823 -13.780 8.355 1.00 4.16 H new ATOM 0 HD2 PRO B 103 -3.568 -12.937 5.548 1.00 4.23 H new ATOM 0 HD3 PRO B 103 -2.177 -13.859 6.084 1.00 4.23 H new ATOM 902 N VAL B 104 -7.537 -14.147 6.715 1.00 2.99 N ATOM 903 CA VAL B 104 -8.716 -13.653 6.037 1.00 2.67 C ATOM 904 C VAL B 104 -8.576 -12.161 5.860 1.00 2.45 C ATOM 905 O VAL B 104 -7.907 -11.506 6.659 1.00 2.61 O ATOM 906 CB VAL B 104 -10.012 -13.900 6.818 1.00 2.51 C ATOM 907 CG1 VAL B 104 -11.218 -13.719 5.920 1.00 2.07 C ATOM 908 CG2 VAL B 104 -10.024 -15.266 7.457 1.00 3.04 C ATOM 0 H VAL B 104 -7.647 -14.271 7.722 1.00 2.99 H new ATOM 0 HA VAL B 104 -8.785 -14.188 5.090 1.00 2.67 H new ATOM 0 HB VAL B 104 -10.060 -13.162 7.619 1.00 2.51 H new ATOM 0 HG11 VAL B 104 -12.128 -13.899 6.492 1.00 2.07 H new ATOM 0 HG12 VAL B 104 -11.230 -12.702 5.528 1.00 2.07 H new ATOM 0 HG13 VAL B 104 -11.165 -14.426 5.092 1.00 2.07 H new ATOM 0 HG21 VAL B 104 -10.958 -15.405 8.002 1.00 3.04 H new ATOM 0 HG22 VAL B 104 -9.938 -16.030 6.684 1.00 3.04 H new ATOM 0 HG23 VAL B 104 -9.185 -15.352 8.148 1.00 3.04 H new ATOM 912 N THR B 105 -9.213 -11.610 4.849 1.00 2.19 N ATOM 913 CA THR B 105 -9.112 -10.184 4.619 1.00 2.02 C ATOM 914 C THR B 105 -10.399 -9.634 4.029 1.00 1.76 C ATOM 915 O THR B 105 -11.348 -10.379 3.776 1.00 1.76 O ATOM 916 CB THR B 105 -7.917 -9.841 3.705 1.00 2.29 C ATOM 917 OG1 THR B 105 -7.863 -10.750 2.598 1.00 2.46 O ATOM 918 CG2 THR B 105 -6.594 -9.877 4.475 1.00 2.83 C ATOM 0 H THR B 105 -9.797 -12.117 4.183 1.00 2.19 H new ATOM 0 HA THR B 105 -8.944 -9.712 5.587 1.00 2.02 H new ATOM 0 HB THR B 105 -8.064 -8.827 3.333 1.00 2.29 H new ATOM 0 HG1 THR B 105 -8.592 -11.401 2.673 1.00 2.46 H new ATOM 0 HG21 THR B 105 -5.774 -9.631 3.801 1.00 2.83 H new ATOM 0 HG22 THR B 105 -6.626 -9.151 5.288 1.00 2.83 H new ATOM 0 HG23 THR B 105 -6.439 -10.875 4.886 1.00 2.83 H new ATOM 923 N LEU B 106 -10.415 -8.329 3.802 1.00 1.62 N ATOM 924 CA LEU B 106 -11.600 -7.686 3.253 1.00 1.43 C ATOM 925 C LEU B 106 -11.803 -8.129 1.820 1.00 1.57 C ATOM 926 O LEU B 106 -12.922 -8.157 1.341 1.00 1.51 O ATOM 927 CB LEU B 106 -11.543 -6.156 3.323 1.00 1.45 C ATOM 928 CG LEU B 106 -10.239 -5.543 3.818 1.00 1.66 C ATOM 929 CD1 LEU B 106 -9.309 -5.254 2.661 1.00 2.20 C ATOM 930 CD2 LEU B 106 -10.511 -4.271 4.591 1.00 2.26 C ATOM 0 H LEU B 106 -9.632 -7.701 3.986 1.00 1.62 H new ATOM 0 HA LEU B 106 -12.444 -7.996 3.869 1.00 1.43 H new ATOM 0 HB2 LEU B 106 -11.748 -5.762 2.328 1.00 1.45 H new ATOM 0 HB3 LEU B 106 -12.348 -5.815 3.974 1.00 1.45 H new ATOM 0 HG LEU B 106 -9.758 -6.263 4.480 1.00 1.66 H new ATOM 0 HD11 LEU B 106 -8.384 -4.817 3.038 1.00 2.20 H new ATOM 0 HD12 LEU B 106 -9.084 -6.182 2.135 1.00 2.20 H new ATOM 0 HD13 LEU B 106 -9.788 -4.555 1.975 1.00 2.20 H new ATOM 0 HD21 LEU B 106 -9.568 -3.847 4.937 1.00 2.26 H new ATOM 0 HD22 LEU B 106 -11.016 -3.553 3.945 1.00 2.26 H new ATOM 0 HD23 LEU B 106 -11.145 -4.495 5.449 1.00 2.26 H new ATOM 936 N TYR B 107 -10.718 -8.515 1.154 1.00 1.84 N ATOM 937 CA TYR B 107 -10.791 -8.971 -0.222 1.00 2.08 C ATOM 938 C TYR B 107 -11.581 -10.262 -0.309 1.00 2.14 C ATOM 939 O TYR B 107 -12.297 -10.504 -1.274 1.00 2.25 O ATOM 940 CB TYR B 107 -9.386 -9.207 -0.769 1.00 2.41 C ATOM 941 CG TYR B 107 -8.637 -7.946 -1.114 1.00 2.54 C ATOM 942 CD1 TYR B 107 -7.843 -7.312 -0.171 1.00 2.48 C ATOM 943 CD2 TYR B 107 -8.713 -7.397 -2.386 1.00 2.95 C ATOM 944 CE1 TYR B 107 -7.147 -6.162 -0.484 1.00 2.66 C ATOM 945 CE2 TYR B 107 -8.022 -6.246 -2.708 1.00 3.16 C ATOM 946 CZ TYR B 107 -7.239 -5.632 -1.753 1.00 2.95 C ATOM 947 OH TYR B 107 -6.546 -4.483 -2.068 1.00 3.21 O ATOM 0 H TYR B 107 -9.778 -8.519 1.550 1.00 1.84 H new ATOM 0 HA TYR B 107 -11.290 -8.203 -0.813 1.00 2.08 H new ATOM 0 HB2 TYR B 107 -8.811 -9.768 -0.032 1.00 2.41 H new ATOM 0 HB3 TYR B 107 -9.455 -9.830 -1.660 1.00 2.41 H new ATOM 0 HD1 TYR B 107 -7.768 -7.724 0.824 1.00 2.48 H new ATOM 0 HD2 TYR B 107 -9.323 -7.878 -3.137 1.00 2.95 H new ATOM 0 HE1 TYR B 107 -6.533 -5.680 0.262 1.00 2.66 H new ATOM 0 HE2 TYR B 107 -8.094 -5.829 -3.702 1.00 3.16 H new ATOM 0 HH TYR B 107 -6.718 -4.243 -3.002 1.00 3.21 H new ATOM 957 N ASP B 108 -11.446 -11.075 0.723 1.00 2.13 N ATOM 958 CA ASP B 108 -12.096 -12.359 0.809 1.00 2.26 C ATOM 959 C ASP B 108 -13.579 -12.194 1.002 1.00 1.98 C ATOM 960 O ASP B 108 -14.377 -12.715 0.224 1.00 2.08 O ATOM 961 CB ASP B 108 -11.489 -13.119 1.991 1.00 2.44 C ATOM 962 CG ASP B 108 -10.064 -13.560 1.744 1.00 3.03 C ATOM 963 OD1 ASP B 108 -9.836 -14.387 0.839 1.00 3.15 O ATOM 964 OD2 ASP B 108 -9.159 -13.075 2.455 1.00 3.58 O ATOM 0 H ASP B 108 -10.871 -10.853 1.536 1.00 2.13 H new ATOM 0 HA ASP B 108 -11.944 -12.914 -0.117 1.00 2.26 H new ATOM 0 HB2 ASP B 108 -11.518 -12.484 2.877 1.00 2.44 H new ATOM 0 HB3 ASP B 108 -12.102 -13.994 2.206 1.00 2.44 H new ATOM 969 N VAL B 109 -13.950 -11.465 2.037 1.00 1.68 N ATOM 970 CA VAL B 109 -15.351 -11.246 2.311 1.00 1.42 C ATOM 971 C VAL B 109 -15.982 -10.353 1.245 1.00 1.35 C ATOM 972 O VAL B 109 -17.182 -10.424 1.013 1.00 1.34 O ATOM 973 CB VAL B 109 -15.611 -10.734 3.754 1.00 1.19 C ATOM 974 CG1 VAL B 109 -14.341 -10.714 4.585 1.00 1.37 C ATOM 975 CG2 VAL B 109 -16.277 -9.372 3.780 1.00 1.54 C ATOM 0 H VAL B 109 -13.307 -11.021 2.693 1.00 1.68 H new ATOM 0 HA VAL B 109 -15.846 -12.216 2.258 1.00 1.42 H new ATOM 0 HB VAL B 109 -16.304 -11.447 4.201 1.00 1.19 H new ATOM 0 HG11 VAL B 109 -14.568 -10.350 5.587 1.00 1.37 H new ATOM 0 HG12 VAL B 109 -13.932 -11.722 4.649 1.00 1.37 H new ATOM 0 HG13 VAL B 109 -13.610 -10.056 4.116 1.00 1.37 H new ATOM 0 HG21 VAL B 109 -16.435 -9.064 4.814 1.00 1.54 H new ATOM 0 HG22 VAL B 109 -15.639 -8.645 3.278 1.00 1.54 H new ATOM 0 HG23 VAL B 109 -17.237 -9.427 3.267 1.00 1.54 H new ATOM 979 N ALA B 110 -15.172 -9.532 0.586 1.00 1.43 N ATOM 980 CA ALA B 110 -15.670 -8.685 -0.491 1.00 1.57 C ATOM 981 C ALA B 110 -15.961 -9.557 -1.699 1.00 1.86 C ATOM 982 O ALA B 110 -16.925 -9.345 -2.432 1.00 1.97 O ATOM 983 CB ALA B 110 -14.668 -7.604 -0.856 1.00 1.73 C ATOM 0 H ALA B 110 -14.175 -9.435 0.777 1.00 1.43 H new ATOM 0 HA ALA B 110 -16.580 -8.187 -0.157 1.00 1.57 H new ATOM 0 HB1 ALA B 110 -15.071 -6.991 -1.662 1.00 1.73 H new ATOM 0 HB2 ALA B 110 -14.475 -6.977 0.015 1.00 1.73 H new ATOM 0 HB3 ALA B 110 -13.737 -8.067 -1.183 1.00 1.73 H new ATOM 989 N GLU B 111 -15.117 -10.566 -1.864 1.00 2.03 N ATOM 990 CA GLU B 111 -15.235 -11.522 -2.952 1.00 2.36 C ATOM 991 C GLU B 111 -16.482 -12.348 -2.732 1.00 2.34 C ATOM 992 O GLU B 111 -17.245 -12.645 -3.649 1.00 2.59 O ATOM 993 CB GLU B 111 -14.002 -12.414 -2.947 1.00 2.62 C ATOM 994 CG GLU B 111 -13.220 -12.364 -4.241 1.00 3.04 C ATOM 995 CD GLU B 111 -13.870 -13.161 -5.349 1.00 3.49 C ATOM 996 OE1 GLU B 111 -13.567 -14.363 -5.486 1.00 3.62 O ATOM 997 OE2 GLU B 111 -14.685 -12.586 -6.099 1.00 3.91 O ATOM 0 H GLU B 111 -14.328 -10.744 -1.243 1.00 2.03 H new ATOM 0 HA GLU B 111 -15.306 -11.014 -3.914 1.00 2.36 H new ATOM 0 HB2 GLU B 111 -13.350 -12.116 -2.125 1.00 2.62 H new ATOM 0 HB3 GLU B 111 -14.307 -13.443 -2.755 1.00 2.62 H new ATOM 0 HG2 GLU B 111 -13.117 -11.326 -4.558 1.00 3.04 H new ATOM 0 HG3 GLU B 111 -12.214 -12.745 -4.067 1.00 3.04 H new ATOM 1004 N TYR B 112 -16.648 -12.688 -1.477 1.00 2.08 N ATOM 1005 CA TYR B 112 -17.763 -13.458 -0.985 1.00 2.09 C ATOM 1006 C TYR B 112 -19.070 -12.702 -1.151 1.00 1.93 C ATOM 1007 O TYR B 112 -20.004 -13.151 -1.814 1.00 2.13 O ATOM 1008 CB TYR B 112 -17.512 -13.676 0.489 1.00 1.99 C ATOM 1009 CG TYR B 112 -17.776 -15.062 0.985 1.00 2.31 C ATOM 1010 CD1 TYR B 112 -16.989 -16.135 0.590 1.00 2.34 C ATOM 1011 CD2 TYR B 112 -18.805 -15.289 1.870 1.00 2.64 C ATOM 1012 CE1 TYR B 112 -17.233 -17.402 1.072 1.00 2.67 C ATOM 1013 CE2 TYR B 112 -19.057 -16.542 2.351 1.00 2.96 C ATOM 1014 CZ TYR B 112 -18.271 -17.600 1.953 1.00 2.97 C ATOM 1015 OH TYR B 112 -18.523 -18.858 2.447 1.00 3.32 O ATOM 0 H TYR B 112 -15.987 -12.427 -0.745 1.00 2.08 H new ATOM 0 HA TYR B 112 -17.846 -14.393 -1.538 1.00 2.09 H new ATOM 0 HB2 TYR B 112 -16.474 -13.422 0.705 1.00 1.99 H new ATOM 0 HB3 TYR B 112 -18.134 -12.981 1.053 1.00 1.99 H new ATOM 0 HD1 TYR B 112 -16.176 -15.975 -0.103 1.00 2.34 H new ATOM 0 HD2 TYR B 112 -19.423 -14.463 2.189 1.00 2.64 H new ATOM 0 HE1 TYR B 112 -16.616 -18.232 0.761 1.00 2.67 H new ATOM 0 HE2 TYR B 112 -19.871 -16.703 3.042 1.00 2.96 H new ATOM 0 HH TYR B 112 -19.435 -18.893 2.803 1.00 3.32 H new ATOM 1025 N ALA B 113 -19.104 -11.549 -0.508 1.00 1.63 N ATOM 1026 CA ALA B 113 -20.256 -10.679 -0.517 1.00 1.55 C ATOM 1027 C ALA B 113 -20.611 -10.199 -1.921 1.00 1.73 C ATOM 1028 O ALA B 113 -21.730 -9.757 -2.167 1.00 1.87 O ATOM 1029 CB ALA B 113 -20.014 -9.507 0.412 1.00 1.29 C ATOM 0 H ALA B 113 -18.322 -11.190 0.040 1.00 1.63 H new ATOM 0 HA ALA B 113 -21.112 -11.252 -0.162 1.00 1.55 H new ATOM 0 HB1 ALA B 113 -20.884 -8.851 0.404 1.00 1.29 H new ATOM 0 HB2 ALA B 113 -19.845 -9.874 1.424 1.00 1.29 H new ATOM 0 HB3 ALA B 113 -19.138 -8.952 0.077 1.00 1.29 H new ATOM 1035 N GLY B 114 -19.667 -10.303 -2.844 1.00 1.82 N ATOM 1036 CA GLY B 114 -19.919 -9.865 -4.199 1.00 2.08 C ATOM 1037 C GLY B 114 -19.826 -8.364 -4.312 1.00 2.12 C ATOM 1038 O GLY B 114 -20.620 -7.726 -5.008 1.00 2.49 O ATOM 0 H GLY B 114 -18.734 -10.682 -2.679 1.00 1.82 H new ATOM 0 HA2 GLY B 114 -19.199 -10.329 -4.874 1.00 2.08 H new ATOM 0 HA3 GLY B 114 -20.909 -10.196 -4.513 1.00 2.08 H new ATOM 1042 N VAL B 115 -18.844 -7.805 -3.623 1.00 1.87 N ATOM 1043 CA VAL B 115 -18.610 -6.374 -3.602 1.00 1.97 C ATOM 1044 C VAL B 115 -17.113 -6.104 -3.696 1.00 2.04 C ATOM 1045 O VAL B 115 -16.339 -6.980 -4.081 1.00 2.07 O ATOM 1046 CB VAL B 115 -19.154 -5.736 -2.305 1.00 1.78 C ATOM 1047 CG1 VAL B 115 -20.649 -5.894 -2.228 1.00 1.98 C ATOM 1048 CG2 VAL B 115 -18.514 -6.361 -1.076 1.00 1.43 C ATOM 0 H VAL B 115 -18.183 -8.338 -3.059 1.00 1.87 H new ATOM 0 HA VAL B 115 -19.131 -5.933 -4.452 1.00 1.97 H new ATOM 0 HB VAL B 115 -18.903 -4.676 -2.328 1.00 1.78 H new ATOM 0 HG11 VAL B 115 -21.016 -5.439 -1.308 1.00 1.98 H new ATOM 0 HG12 VAL B 115 -21.111 -5.404 -3.085 1.00 1.98 H new ATOM 0 HG13 VAL B 115 -20.904 -6.954 -2.235 1.00 1.98 H new ATOM 0 HG21 VAL B 115 -18.916 -5.892 -0.178 1.00 1.43 H new ATOM 0 HG22 VAL B 115 -18.731 -7.429 -1.056 1.00 1.43 H new ATOM 0 HG23 VAL B 115 -17.435 -6.211 -1.111 1.00 1.43 H new ATOM 1052 N SER B 116 -16.710 -4.900 -3.345 1.00 2.14 N ATOM 1053 CA SER B 116 -15.313 -4.546 -3.370 1.00 2.22 C ATOM 1054 C SER B 116 -14.833 -4.358 -1.944 1.00 1.95 C ATOM 1055 O SER B 116 -15.619 -4.459 -0.995 1.00 1.73 O ATOM 1056 CB SER B 116 -15.092 -3.269 -4.183 1.00 2.55 C ATOM 1057 OG SER B 116 -15.538 -2.131 -3.467 1.00 2.98 O ATOM 0 H SER B 116 -17.333 -4.153 -3.040 1.00 2.14 H new ATOM 0 HA SER B 116 -14.744 -5.344 -3.847 1.00 2.22 H new ATOM 0 HB2 SER B 116 -14.033 -3.163 -4.420 1.00 2.55 H new ATOM 0 HB3 SER B 116 -15.626 -3.340 -5.131 1.00 2.55 H new ATOM 0 HG SER B 116 -16.324 -2.368 -2.933 1.00 2.98 H new ATOM 1063 N VAL B 117 -13.560 -4.063 -1.786 1.00 2.03 N ATOM 1064 CA VAL B 117 -13.006 -3.855 -0.475 1.00 1.86 C ATOM 1065 C VAL B 117 -13.462 -2.519 0.058 1.00 1.85 C ATOM 1066 O VAL B 117 -13.356 -2.234 1.246 1.00 1.67 O ATOM 1067 CB VAL B 117 -11.484 -3.926 -0.511 1.00 2.11 C ATOM 1068 CG1 VAL B 117 -11.082 -5.296 -0.998 1.00 2.70 C ATOM 1069 CG2 VAL B 117 -10.895 -2.832 -1.396 1.00 2.38 C ATOM 0 H VAL B 117 -12.894 -3.963 -2.552 1.00 2.03 H new ATOM 0 HA VAL B 117 -13.360 -4.645 0.187 1.00 1.86 H new ATOM 0 HB VAL B 117 -11.089 -3.761 0.492 1.00 2.11 H new ATOM 0 HG11 VAL B 117 -9.995 -5.366 -1.031 1.00 2.70 H new ATOM 0 HG12 VAL B 117 -11.474 -6.053 -0.319 1.00 2.70 H new ATOM 0 HG13 VAL B 117 -11.486 -5.460 -1.997 1.00 2.70 H new ATOM 0 HG21 VAL B 117 -9.808 -2.912 -1.399 1.00 2.38 H new ATOM 0 HG22 VAL B 117 -11.270 -2.946 -2.413 1.00 2.38 H new ATOM 0 HG23 VAL B 117 -11.186 -1.855 -1.009 1.00 2.38 H new ATOM 1073 N ALA B 118 -14.000 -1.711 -0.840 1.00 2.11 N ATOM 1074 CA ALA B 118 -14.496 -0.417 -0.477 1.00 2.23 C ATOM 1075 C ALA B 118 -15.790 -0.575 0.278 1.00 2.07 C ATOM 1076 O ALA B 118 -16.057 0.156 1.227 1.00 2.12 O ATOM 1077 CB ALA B 118 -14.708 0.450 -1.698 1.00 2.61 C ATOM 0 H ALA B 118 -14.100 -1.941 -1.829 1.00 2.11 H new ATOM 0 HA ALA B 118 -13.757 0.075 0.156 1.00 2.23 H new ATOM 0 HB1 ALA B 118 -15.085 1.426 -1.391 1.00 2.61 H new ATOM 0 HB2 ALA B 118 -13.761 0.576 -2.224 1.00 2.61 H new ATOM 0 HB3 ALA B 118 -15.431 -0.026 -2.361 1.00 2.61 H new ATOM 1083 N THR B 119 -16.596 -1.547 -0.133 1.00 1.94 N ATOM 1084 CA THR B 119 -17.858 -1.794 0.521 1.00 1.84 C ATOM 1085 C THR B 119 -17.618 -2.403 1.892 1.00 1.51 C ATOM 1086 O THR B 119 -18.241 -2.024 2.887 1.00 1.51 O ATOM 1087 CB THR B 119 -18.724 -2.736 -0.330 1.00 1.93 C ATOM 1088 OG1 THR B 119 -18.165 -2.837 -1.647 1.00 2.18 O ATOM 1089 CG2 THR B 119 -20.146 -2.213 -0.428 1.00 2.17 C ATOM 0 H THR B 119 -16.392 -2.170 -0.914 1.00 1.94 H new ATOM 0 HA THR B 119 -18.385 -0.847 0.639 1.00 1.84 H new ATOM 0 HB THR B 119 -18.742 -3.717 0.145 1.00 1.93 H new ATOM 0 HG1 THR B 119 -18.864 -2.667 -2.313 1.00 2.18 H new ATOM 0 HG21 THR B 119 -20.743 -2.894 -1.035 1.00 2.17 H new ATOM 0 HG22 THR B 119 -20.578 -2.143 0.570 1.00 2.17 H new ATOM 0 HG23 THR B 119 -20.140 -1.226 -0.890 1.00 2.17 H new ATOM 1094 N VAL B 120 -16.690 -3.339 1.923 1.00 1.33 N ATOM 1095 CA VAL B 120 -16.327 -4.033 3.144 1.00 1.05 C ATOM 1096 C VAL B 120 -15.644 -3.118 4.148 1.00 1.07 C ATOM 1097 O VAL B 120 -16.016 -3.122 5.313 1.00 0.98 O ATOM 1098 CB VAL B 120 -15.448 -5.251 2.840 1.00 1.05 C ATOM 1099 CG1 VAL B 120 -14.930 -5.896 4.114 1.00 1.29 C ATOM 1100 CG2 VAL B 120 -16.260 -6.236 2.040 1.00 1.25 C ATOM 0 H VAL B 120 -16.166 -3.641 1.102 1.00 1.33 H new ATOM 0 HA VAL B 120 -17.255 -4.376 3.600 1.00 1.05 H new ATOM 0 HB VAL B 120 -14.577 -4.931 2.269 1.00 1.05 H new ATOM 0 HG11 VAL B 120 -14.311 -6.756 3.860 1.00 1.29 H new ATOM 0 HG12 VAL B 120 -14.336 -5.173 4.672 1.00 1.29 H new ATOM 0 HG13 VAL B 120 -15.772 -6.222 4.725 1.00 1.29 H new ATOM 0 HG21 VAL B 120 -15.651 -7.111 1.814 1.00 1.25 H new ATOM 0 HG22 VAL B 120 -17.133 -6.541 2.617 1.00 1.25 H new ATOM 0 HG23 VAL B 120 -16.585 -5.769 1.110 1.00 1.25 H new ATOM 1104 N SER B 121 -14.664 -2.326 3.716 1.00 1.32 N ATOM 1105 CA SER B 121 -13.986 -1.417 4.615 1.00 1.42 C ATOM 1106 C SER B 121 -14.983 -0.462 5.233 1.00 1.54 C ATOM 1107 O SER B 121 -14.799 -0.014 6.354 1.00 1.64 O ATOM 1108 CB SER B 121 -12.891 -0.647 3.891 1.00 1.73 C ATOM 1109 OG SER B 121 -11.702 -1.409 3.831 1.00 2.33 O ATOM 0 H SER B 121 -14.329 -2.301 2.753 1.00 1.32 H new ATOM 0 HA SER B 121 -13.517 -2.002 5.406 1.00 1.42 H new ATOM 0 HB2 SER B 121 -13.221 -0.398 2.882 1.00 1.73 H new ATOM 0 HB3 SER B 121 -12.700 0.295 4.406 1.00 1.73 H new ATOM 0 HG SER B 121 -11.010 -0.899 3.361 1.00 2.33 H new ATOM 1115 N ARG B 122 -16.053 -0.162 4.509 1.00 1.65 N ATOM 1116 CA ARG B 122 -17.071 0.708 5.037 1.00 1.87 C ATOM 1117 C ARG B 122 -17.766 0.020 6.184 1.00 1.69 C ATOM 1118 O ARG B 122 -17.838 0.558 7.272 1.00 1.81 O ATOM 1119 CB ARG B 122 -18.077 1.062 3.970 1.00 2.16 C ATOM 1120 CG ARG B 122 -17.552 2.056 2.956 1.00 2.54 C ATOM 1121 CD ARG B 122 -17.599 3.467 3.511 1.00 3.12 C ATOM 1122 NE ARG B 122 -17.286 4.487 2.513 1.00 3.54 N ATOM 1123 CZ ARG B 122 -17.032 5.763 2.820 1.00 4.20 C ATOM 1124 NH1 ARG B 122 -17.024 6.157 4.087 1.00 4.65 N ATOM 1125 NH2 ARG B 122 -16.794 6.648 1.861 1.00 4.73 N ATOM 0 H ARG B 122 -16.229 -0.508 3.566 1.00 1.65 H new ATOM 0 HA ARG B 122 -16.602 1.628 5.386 1.00 1.87 H new ATOM 0 HB2 ARG B 122 -18.382 0.153 3.452 1.00 2.16 H new ATOM 0 HB3 ARG B 122 -18.968 1.473 4.443 1.00 2.16 H new ATOM 0 HG2 ARG B 122 -16.527 1.800 2.686 1.00 2.54 H new ATOM 0 HG3 ARG B 122 -18.145 1.999 2.043 1.00 2.54 H new ATOM 0 HD2 ARG B 122 -18.592 3.658 3.918 1.00 3.12 H new ATOM 0 HD3 ARG B 122 -16.894 3.549 4.339 1.00 3.12 H new ATOM 0 HE ARG B 122 -17.260 4.211 1.531 1.00 3.54 H new ATOM 0 HH11 ARG B 122 -17.212 5.485 4.831 1.00 4.65 H new ATOM 0 HH12 ARG B 122 -16.830 7.132 4.317 1.00 4.65 H new ATOM 0 HH21 ARG B 122 -16.804 6.356 0.884 1.00 4.73 H new ATOM 0 HH22 ARG B 122 -16.601 7.620 2.101 1.00 4.73 H new ATOM 1139 N VAL B 123 -18.229 -1.198 5.933 1.00 1.48 N ATOM 1140 CA VAL B 123 -18.916 -1.980 6.952 1.00 1.43 C ATOM 1141 C VAL B 123 -17.965 -2.257 8.100 1.00 1.23 C ATOM 1142 O VAL B 123 -18.343 -2.215 9.269 1.00 1.39 O ATOM 1143 CB VAL B 123 -19.468 -3.299 6.400 1.00 1.43 C ATOM 1144 CG1 VAL B 123 -20.180 -4.059 7.503 1.00 2.11 C ATOM 1145 CG2 VAL B 123 -20.399 -3.036 5.225 1.00 1.71 C ATOM 0 H VAL B 123 -18.141 -1.666 5.031 1.00 1.48 H new ATOM 0 HA VAL B 123 -19.768 -1.396 7.301 1.00 1.43 H new ATOM 0 HB VAL B 123 -18.641 -3.910 6.038 1.00 1.43 H new ATOM 0 HG11 VAL B 123 -20.571 -4.996 7.106 1.00 2.11 H new ATOM 0 HG12 VAL B 123 -19.479 -4.271 8.310 1.00 2.11 H new ATOM 0 HG13 VAL B 123 -21.003 -3.457 7.887 1.00 2.11 H new ATOM 0 HG21 VAL B 123 -20.782 -3.983 4.845 1.00 1.71 H new ATOM 0 HG22 VAL B 123 -21.231 -2.413 5.553 1.00 1.71 H new ATOM 0 HG23 VAL B 123 -19.851 -2.523 4.435 1.00 1.71 H new ATOM 1149 N VAL B 124 -16.720 -2.523 7.743 1.00 1.01 N ATOM 1150 CA VAL B 124 -15.664 -2.738 8.699 1.00 0.97 C ATOM 1151 C VAL B 124 -15.531 -1.488 9.560 1.00 1.22 C ATOM 1152 O VAL B 124 -15.206 -1.551 10.743 1.00 1.41 O ATOM 1153 CB VAL B 124 -14.343 -3.022 7.941 1.00 0.84 C ATOM 1154 CG1 VAL B 124 -13.130 -2.573 8.712 1.00 1.19 C ATOM 1155 CG2 VAL B 124 -14.224 -4.490 7.595 1.00 0.77 C ATOM 0 H VAL B 124 -16.418 -2.595 6.771 1.00 1.01 H new ATOM 0 HA VAL B 124 -15.889 -3.592 9.338 1.00 0.97 H new ATOM 0 HB VAL B 124 -14.381 -2.440 7.020 1.00 0.84 H new ATOM 0 HG11 VAL B 124 -12.231 -2.795 8.137 1.00 1.19 H new ATOM 0 HG12 VAL B 124 -13.190 -1.500 8.892 1.00 1.19 H new ATOM 0 HG13 VAL B 124 -13.090 -3.099 9.666 1.00 1.19 H new ATOM 0 HG21 VAL B 124 -13.288 -4.664 7.063 1.00 0.77 H new ATOM 0 HG22 VAL B 124 -14.237 -5.082 8.510 1.00 0.77 H new ATOM 0 HG23 VAL B 124 -15.061 -4.784 6.962 1.00 0.77 H new ATOM 1159 N ASN B 125 -15.801 -0.348 8.936 1.00 1.33 N ATOM 1160 CA ASN B 125 -15.744 0.938 9.618 1.00 1.62 C ATOM 1161 C ASN B 125 -17.105 1.325 10.169 1.00 1.85 C ATOM 1162 O ASN B 125 -17.373 2.511 10.390 1.00 2.18 O ATOM 1163 CB ASN B 125 -15.264 2.030 8.661 1.00 1.76 C ATOM 1164 CG ASN B 125 -13.759 2.176 8.625 1.00 1.72 C ATOM 1165 OD1 ASN B 125 -13.168 2.868 9.455 1.00 2.01 O ATOM 1166 ND2 ASN B 125 -13.130 1.537 7.651 1.00 1.57 N ATOM 0 H ASN B 125 -16.063 -0.289 7.952 1.00 1.33 H new ATOM 0 HA ASN B 125 -15.041 0.841 10.445 1.00 1.62 H new ATOM 0 HB2 ASN B 125 -15.624 1.807 7.657 1.00 1.76 H new ATOM 0 HB3 ASN B 125 -15.707 2.981 8.955 1.00 1.76 H new ATOM 0 HD21 ASN B 125 -12.116 1.607 7.567 1.00 1.57 H new ATOM 0 HD22 ASN B 125 -13.659 0.974 6.985 1.00 1.57 H new ATOM 1173 N GLN B 126 -17.953 0.317 10.391 1.00 1.75 N ATOM 1174 CA GLN B 126 -19.299 0.517 10.927 1.00 2.00 C ATOM 1175 C GLN B 126 -20.090 1.367 9.949 1.00 2.28 C ATOM 1176 O GLN B 126 -20.849 2.257 10.340 1.00 2.59 O ATOM 1177 CB GLN B 126 -19.312 1.157 12.325 1.00 2.28 C ATOM 1178 CG GLN B 126 -17.996 1.081 13.086 1.00 2.26 C ATOM 1179 CD GLN B 126 -17.438 -0.319 13.224 1.00 2.20 C ATOM 1180 OE1 GLN B 126 -18.172 -1.295 13.367 1.00 2.62 O ATOM 1181 NE2 GLN B 126 -16.121 -0.418 13.170 1.00 2.05 N ATOM 0 H GLN B 126 -17.725 -0.659 10.204 1.00 1.75 H new ATOM 0 HA GLN B 126 -19.756 -0.465 11.046 1.00 2.00 H new ATOM 0 HB2 GLN B 126 -19.595 2.205 12.224 1.00 2.28 H new ATOM 0 HB3 GLN B 126 -20.086 0.674 12.921 1.00 2.28 H new ATOM 0 HG2 GLN B 126 -17.260 1.705 12.579 1.00 2.26 H new ATOM 0 HG3 GLN B 126 -18.140 1.502 14.081 1.00 2.26 H new ATOM 0 HE21 GLN B 126 -15.551 0.419 13.050 1.00 2.05 H new ATOM 0 HE22 GLN B 126 -15.675 -1.332 13.248 1.00 2.05 H new ATOM 1188 N ALA B 127 -19.943 1.004 8.675 1.00 2.26 N ATOM 1189 CA ALA B 127 -20.553 1.682 7.542 1.00 2.68 C ATOM 1190 C ALA B 127 -20.477 3.209 7.586 1.00 2.58 C ATOM 1191 O ALA B 127 -19.904 3.817 8.491 1.00 2.78 O ATOM 1192 CB ALA B 127 -21.970 1.199 7.379 1.00 3.35 C ATOM 0 H ALA B 127 -19.376 0.202 8.399 1.00 2.26 H new ATOM 0 HA ALA B 127 -19.962 1.417 6.665 1.00 2.68 H new ATOM 0 HB1 ALA B 127 -22.431 1.705 6.531 1.00 3.35 H new ATOM 0 HB2 ALA B 127 -21.970 0.123 7.204 1.00 3.35 H new ATOM 0 HB3 ALA B 127 -22.536 1.419 8.284 1.00 3.35 H new ATOM 1198 N SER B 128 -21.033 3.815 6.549 1.00 2.78 N ATOM 1199 CA SER B 128 -21.064 5.256 6.387 1.00 3.07 C ATOM 1200 C SER B 128 -22.061 5.594 5.290 1.00 3.19 C ATOM 1201 O SER B 128 -22.842 6.541 5.397 1.00 3.58 O ATOM 1202 CB SER B 128 -19.687 5.802 6.007 1.00 3.43 C ATOM 1203 OG SER B 128 -18.683 4.798 6.061 1.00 3.90 O ATOM 0 H SER B 128 -21.482 3.310 5.785 1.00 2.78 H new ATOM 0 HA SER B 128 -21.357 5.712 7.333 1.00 3.07 H new ATOM 0 HB2 SER B 128 -19.728 6.220 5.001 1.00 3.43 H new ATOM 0 HB3 SER B 128 -19.422 6.617 6.681 1.00 3.43 H new ATOM 0 HG SER B 128 -17.920 5.126 6.582 1.00 3.90 H new ATOM 1209 N HIS B 129 -22.030 4.778 4.242 1.00 2.99 N ATOM 1210 CA HIS B 129 -22.913 4.938 3.093 1.00 3.16 C ATOM 1211 C HIS B 129 -23.345 3.574 2.563 1.00 2.98 C ATOM 1212 O HIS B 129 -23.898 3.477 1.474 1.00 3.05 O ATOM 1213 CB HIS B 129 -22.216 5.724 1.975 1.00 3.29 C ATOM 1214 CG HIS B 129 -22.565 7.185 1.937 1.00 3.68 C ATOM 1215 ND1 HIS B 129 -21.979 8.072 1.059 1.00 4.09 N ATOM 1216 CD2 HIS B 129 -23.460 7.909 2.654 1.00 3.92 C ATOM 1217 CE1 HIS B 129 -22.498 9.275 1.236 1.00 4.48 C ATOM 1218 NE2 HIS B 129 -23.399 9.201 2.199 1.00 4.40 N ATOM 0 H HIS B 129 -21.391 3.986 4.165 1.00 2.99 H new ATOM 0 HA HIS B 129 -23.792 5.494 3.419 1.00 3.16 H new ATOM 0 HB2 HIS B 129 -21.137 5.623 2.094 1.00 3.29 H new ATOM 0 HB3 HIS B 129 -22.474 5.275 1.016 1.00 3.29 H new ATOM 0 HD2 HIS B 129 -24.102 7.537 3.438 1.00 3.92 H new ATOM 0 HE1 HIS B 129 -22.231 10.166 0.687 1.00 4.48 H new ATOM 0 HE2 HIS B 129 -23.959 9.979 2.548 1.00 4.40 H new ATOM 1227 N VAL B 130 -23.082 2.523 3.333 1.00 2.81 N ATOM 1228 CA VAL B 130 -23.439 1.175 2.940 1.00 2.71 C ATOM 1229 C VAL B 130 -24.878 0.907 3.318 1.00 2.91 C ATOM 1230 O VAL B 130 -25.302 1.203 4.437 1.00 3.16 O ATOM 1231 CB VAL B 130 -22.507 0.113 3.600 1.00 2.44 C ATOM 1232 CG1 VAL B 130 -23.271 -1.129 4.057 1.00 2.56 C ATOM 1233 CG2 VAL B 130 -21.404 -0.296 2.644 1.00 2.52 C ATOM 0 H VAL B 130 -22.619 2.586 4.239 1.00 2.81 H new ATOM 0 HA VAL B 130 -23.316 1.092 1.860 1.00 2.71 H new ATOM 0 HB VAL B 130 -22.074 0.583 4.483 1.00 2.44 H new ATOM 0 HG11 VAL B 130 -22.577 -1.837 4.509 1.00 2.56 H new ATOM 0 HG12 VAL B 130 -24.026 -0.843 4.789 1.00 2.56 H new ATOM 0 HG13 VAL B 130 -23.756 -1.594 3.199 1.00 2.56 H new ATOM 0 HG21 VAL B 130 -20.764 -1.037 3.123 1.00 2.52 H new ATOM 0 HG22 VAL B 130 -21.844 -0.723 1.743 1.00 2.52 H new ATOM 0 HG23 VAL B 130 -20.810 0.578 2.378 1.00 2.52 H new ATOM 1237 N SER B 131 -25.627 0.372 2.384 1.00 3.16 N ATOM 1238 CA SER B 131 -27.009 0.068 2.628 1.00 3.41 C ATOM 1239 C SER B 131 -27.126 -1.064 3.651 1.00 3.34 C ATOM 1240 O SER B 131 -26.239 -1.916 3.742 1.00 3.52 O ATOM 1241 CB SER B 131 -27.681 -0.307 1.310 1.00 3.60 C ATOM 1242 OG SER B 131 -26.745 -0.246 0.243 1.00 3.66 O ATOM 0 H SER B 131 -25.298 0.139 1.447 1.00 3.16 H new ATOM 0 HA SER B 131 -27.513 0.942 3.040 1.00 3.41 H new ATOM 0 HB2 SER B 131 -28.098 -1.312 1.380 1.00 3.60 H new ATOM 0 HB3 SER B 131 -28.512 0.370 1.112 1.00 3.60 H new ATOM 0 HG SER B 131 -27.189 -0.490 -0.596 1.00 3.66 H new ATOM 1248 N ALA B 132 -28.212 -1.060 4.415 1.00 3.13 N ATOM 1249 CA ALA B 132 -28.446 -2.070 5.442 1.00 3.13 C ATOM 1250 C ALA B 132 -28.236 -3.480 4.898 1.00 2.94 C ATOM 1251 O ALA B 132 -27.611 -4.316 5.553 1.00 2.84 O ATOM 1252 CB ALA B 132 -29.848 -1.920 6.012 1.00 3.57 C ATOM 0 H ALA B 132 -28.952 -0.361 4.342 1.00 3.13 H new ATOM 0 HA ALA B 132 -27.720 -1.915 6.240 1.00 3.13 H new ATOM 0 HB1 ALA B 132 -30.013 -2.678 6.777 1.00 3.57 H new ATOM 0 HB2 ALA B 132 -29.957 -0.929 6.453 1.00 3.57 H new ATOM 0 HB3 ALA B 132 -30.580 -2.045 5.214 1.00 3.57 H new ATOM 1258 N LYS B 133 -28.748 -3.733 3.698 1.00 2.95 N ATOM 1259 CA LYS B 133 -28.609 -5.035 3.065 1.00 2.86 C ATOM 1260 C LYS B 133 -27.146 -5.415 2.889 1.00 2.52 C ATOM 1261 O LYS B 133 -26.725 -6.514 3.247 1.00 2.39 O ATOM 1262 CB LYS B 133 -29.321 -5.058 1.720 1.00 3.08 C ATOM 1263 CG LYS B 133 -30.585 -5.892 1.736 1.00 3.26 C ATOM 1264 CD LYS B 133 -30.274 -7.377 1.775 1.00 3.59 C ATOM 1265 CE LYS B 133 -31.332 -8.144 2.551 1.00 3.54 C ATOM 1266 NZ LYS B 133 -31.536 -7.603 3.924 1.00 4.27 N ATOM 0 H LYS B 133 -29.264 -3.049 3.144 1.00 2.95 H new ATOM 0 HA LYS B 133 -29.073 -5.770 3.723 1.00 2.86 H new ATOM 0 HB2 LYS B 133 -29.569 -4.037 1.428 1.00 3.08 H new ATOM 0 HB3 LYS B 133 -28.643 -5.450 0.962 1.00 3.08 H new ATOM 0 HG2 LYS B 133 -31.188 -5.623 2.603 1.00 3.26 H new ATOM 0 HG3 LYS B 133 -31.181 -5.668 0.851 1.00 3.26 H new ATOM 0 HD2 LYS B 133 -30.214 -7.765 0.758 1.00 3.59 H new ATOM 0 HD3 LYS B 133 -29.298 -7.534 2.234 1.00 3.59 H new ATOM 0 HE2 LYS B 133 -32.275 -8.108 2.006 1.00 3.54 H new ATOM 0 HE3 LYS B 133 -31.041 -9.192 2.616 1.00 3.54 H new ATOM 0 HZ1 LYS B 133 -32.005 -8.320 4.514 1.00 4.27 H new ATOM 0 HZ2 LYS B 133 -30.615 -7.359 4.341 1.00 4.27 H new ATOM 0 HZ3 LYS B 133 -32.131 -6.751 3.877 1.00 4.27 H new ATOM 1280 N THR B 134 -26.378 -4.489 2.349 1.00 2.42 N ATOM 1281 CA THR B 134 -24.961 -4.702 2.121 1.00 2.12 C ATOM 1282 C THR B 134 -24.212 -4.915 3.427 1.00 1.91 C ATOM 1283 O THR B 134 -23.306 -5.739 3.505 1.00 1.66 O ATOM 1284 CB THR B 134 -24.347 -3.532 1.369 1.00 2.15 C ATOM 1285 OG1 THR B 134 -25.092 -3.268 0.170 1.00 2.38 O ATOM 1286 CG2 THR B 134 -22.895 -3.824 1.036 1.00 1.91 C ATOM 0 H THR B 134 -26.716 -3.572 2.057 1.00 2.42 H new ATOM 0 HA THR B 134 -24.868 -5.604 1.515 1.00 2.12 H new ATOM 0 HB THR B 134 -24.385 -2.648 2.005 1.00 2.15 H new ATOM 0 HG1 THR B 134 -24.689 -2.512 -0.306 1.00 2.38 H new ATOM 0 HG21 THR B 134 -22.468 -2.978 0.498 1.00 1.91 H new ATOM 0 HG22 THR B 134 -22.336 -3.987 1.957 1.00 1.91 H new ATOM 0 HG23 THR B 134 -22.837 -4.717 0.413 1.00 1.91 H new ATOM 1291 N ARG B 135 -24.567 -4.144 4.435 1.00 2.08 N ATOM 1292 CA ARG B 135 -23.956 -4.288 5.748 1.00 2.01 C ATOM 1293 C ARG B 135 -24.051 -5.741 6.189 1.00 1.90 C ATOM 1294 O ARG B 135 -23.083 -6.328 6.654 1.00 1.69 O ATOM 1295 CB ARG B 135 -24.644 -3.353 6.758 1.00 2.33 C ATOM 1296 CG ARG B 135 -24.202 -3.544 8.202 1.00 2.49 C ATOM 1297 CD ARG B 135 -24.961 -4.657 8.876 1.00 2.51 C ATOM 1298 NE ARG B 135 -24.528 -4.861 10.258 1.00 2.92 N ATOM 1299 CZ ARG B 135 -25.267 -4.586 11.331 1.00 3.24 C ATOM 1300 NH1 ARG B 135 -26.499 -4.109 11.197 1.00 3.30 N ATOM 1301 NH2 ARG B 135 -24.772 -4.803 12.541 1.00 3.83 N ATOM 0 H ARG B 135 -25.274 -3.411 4.374 1.00 2.08 H new ATOM 0 HA ARG B 135 -22.904 -4.007 5.698 1.00 2.01 H new ATOM 0 HB2 ARG B 135 -24.452 -2.320 6.467 1.00 2.33 H new ATOM 0 HB3 ARG B 135 -25.722 -3.505 6.699 1.00 2.33 H new ATOM 0 HG2 ARG B 135 -23.135 -3.763 8.230 1.00 2.49 H new ATOM 0 HG3 ARG B 135 -24.351 -2.616 8.754 1.00 2.49 H new ATOM 0 HD2 ARG B 135 -26.027 -4.429 8.861 1.00 2.51 H new ATOM 0 HD3 ARG B 135 -24.824 -5.581 8.314 1.00 2.51 H new ATOM 0 HE ARG B 135 -23.594 -5.241 10.411 1.00 2.92 H new ATOM 0 HH11 ARG B 135 -26.886 -3.951 10.267 1.00 3.30 H new ATOM 0 HH12 ARG B 135 -27.058 -3.901 12.024 1.00 3.30 H new ATOM 0 HH21 ARG B 135 -23.830 -5.179 12.647 1.00 3.83 H new ATOM 0 HH22 ARG B 135 -25.333 -4.594 13.367 1.00 3.83 H new ATOM 1315 N GLU B 136 -25.208 -6.323 5.962 1.00 2.09 N ATOM 1316 CA GLU B 136 -25.451 -7.703 6.327 1.00 2.13 C ATOM 1317 C GLU B 136 -24.716 -8.625 5.366 1.00 1.92 C ATOM 1318 O GLU B 136 -24.200 -9.672 5.752 1.00 1.96 O ATOM 1319 CB GLU B 136 -26.938 -7.995 6.294 1.00 2.40 C ATOM 1320 CG GLU B 136 -27.758 -7.114 7.196 1.00 2.66 C ATOM 1321 CD GLU B 136 -29.178 -6.959 6.702 1.00 2.93 C ATOM 1322 OE1 GLU B 136 -29.558 -7.661 5.738 1.00 3.37 O ATOM 1323 OE2 GLU B 136 -29.931 -6.143 7.275 1.00 3.14 O ATOM 0 H GLU B 136 -26.002 -5.858 5.522 1.00 2.09 H new ATOM 0 HA GLU B 136 -25.082 -7.875 7.338 1.00 2.13 H new ATOM 0 HB2 GLU B 136 -27.297 -7.883 5.271 1.00 2.40 H new ATOM 0 HB3 GLU B 136 -27.099 -9.035 6.576 1.00 2.40 H new ATOM 0 HG2 GLU B 136 -27.768 -7.535 8.201 1.00 2.66 H new ATOM 0 HG3 GLU B 136 -27.290 -6.132 7.266 1.00 2.66 H new ATOM 1330 N LYS B 137 -24.679 -8.196 4.114 1.00 1.78 N ATOM 1331 CA LYS B 137 -24.031 -8.914 3.022 1.00 1.68 C ATOM 1332 C LYS B 137 -22.568 -9.244 3.328 1.00 1.46 C ATOM 1333 O LYS B 137 -22.116 -10.381 3.180 1.00 1.53 O ATOM 1334 CB LYS B 137 -24.096 -8.031 1.774 1.00 1.70 C ATOM 1335 CG LYS B 137 -23.457 -8.657 0.561 1.00 2.12 C ATOM 1336 CD LYS B 137 -22.926 -7.605 -0.401 1.00 2.24 C ATOM 1337 CE LYS B 137 -24.038 -6.877 -1.135 1.00 2.51 C ATOM 1338 NZ LYS B 137 -24.873 -7.801 -1.953 1.00 3.11 N ATOM 0 H LYS B 137 -25.108 -7.319 3.820 1.00 1.78 H new ATOM 0 HA LYS B 137 -24.551 -9.861 2.875 1.00 1.68 H new ATOM 0 HB2 LYS B 137 -25.139 -7.807 1.551 1.00 1.70 H new ATOM 0 HB3 LYS B 137 -23.604 -7.081 1.985 1.00 1.70 H new ATOM 0 HG2 LYS B 137 -22.641 -9.308 0.875 1.00 2.12 H new ATOM 0 HG3 LYS B 137 -24.186 -9.284 0.048 1.00 2.12 H new ATOM 0 HD2 LYS B 137 -22.325 -6.882 0.151 1.00 2.24 H new ATOM 0 HD3 LYS B 137 -22.266 -8.080 -1.127 1.00 2.24 H new ATOM 0 HE2 LYS B 137 -24.671 -6.362 -0.413 1.00 2.51 H new ATOM 0 HE3 LYS B 137 -23.605 -6.113 -1.781 1.00 2.51 H new ATOM 0 HZ1 LYS B 137 -25.407 -7.254 -2.658 1.00 3.11 H new ATOM 0 HZ2 LYS B 137 -24.259 -8.486 -2.439 1.00 3.11 H new ATOM 0 HZ3 LYS B 137 -25.536 -8.309 -1.334 1.00 3.11 H new ATOM 1352 N VAL B 138 -21.854 -8.233 3.771 1.00 1.29 N ATOM 1353 CA VAL B 138 -20.448 -8.374 4.070 1.00 1.09 C ATOM 1354 C VAL B 138 -20.211 -8.948 5.466 1.00 1.21 C ATOM 1355 O VAL B 138 -19.262 -9.698 5.663 1.00 1.25 O ATOM 1356 CB VAL B 138 -19.651 -7.068 3.882 1.00 0.95 C ATOM 1357 CG1 VAL B 138 -20.364 -6.125 2.947 1.00 1.45 C ATOM 1358 CG2 VAL B 138 -19.352 -6.394 5.203 1.00 1.71 C ATOM 0 H VAL B 138 -22.228 -7.298 3.933 1.00 1.29 H new ATOM 0 HA VAL B 138 -20.070 -9.087 3.337 1.00 1.09 H new ATOM 0 HB VAL B 138 -18.696 -7.338 3.430 1.00 0.95 H new ATOM 0 HG11 VAL B 138 -19.778 -5.213 2.834 1.00 1.45 H new ATOM 0 HG12 VAL B 138 -20.486 -6.601 1.974 1.00 1.45 H new ATOM 0 HG13 VAL B 138 -21.344 -5.879 3.356 1.00 1.45 H new ATOM 0 HG21 VAL B 138 -18.789 -5.478 5.025 1.00 1.71 H new ATOM 0 HG22 VAL B 138 -20.287 -6.153 5.708 1.00 1.71 H new ATOM 0 HG23 VAL B 138 -18.764 -7.065 5.829 1.00 1.71 H new ATOM 1362 N GLU B 139 -21.060 -8.608 6.438 1.00 1.39 N ATOM 1363 CA GLU B 139 -20.901 -9.119 7.771 1.00 1.58 C ATOM 1364 C GLU B 139 -21.093 -10.614 7.768 1.00 1.75 C ATOM 1365 O GLU B 139 -20.389 -11.343 8.467 1.00 1.88 O ATOM 1366 CB GLU B 139 -21.896 -8.446 8.696 1.00 1.81 C ATOM 1367 CG GLU B 139 -21.501 -7.027 9.042 1.00 2.17 C ATOM 1368 CD GLU B 139 -21.380 -6.790 10.534 1.00 2.73 C ATOM 1369 OE1 GLU B 139 -20.559 -7.474 11.186 1.00 3.05 O ATOM 1370 OE2 GLU B 139 -22.105 -5.921 11.066 1.00 3.10 O ATOM 0 H GLU B 139 -21.856 -7.983 6.313 1.00 1.39 H new ATOM 0 HA GLU B 139 -19.895 -8.903 8.131 1.00 1.58 H new ATOM 0 HB2 GLU B 139 -22.879 -8.441 8.225 1.00 1.81 H new ATOM 0 HB3 GLU B 139 -21.985 -9.028 9.613 1.00 1.81 H new ATOM 0 HG2 GLU B 139 -20.549 -6.795 8.565 1.00 2.17 H new ATOM 0 HG3 GLU B 139 -22.240 -6.340 8.630 1.00 2.17 H new ATOM 1377 N ALA B 140 -22.044 -11.063 6.973 1.00 1.81 N ATOM 1378 CA ALA B 140 -22.299 -12.481 6.844 1.00 2.02 C ATOM 1379 C ALA B 140 -21.098 -13.155 6.205 1.00 1.95 C ATOM 1380 O ALA B 140 -20.706 -14.261 6.586 1.00 2.18 O ATOM 1381 CB ALA B 140 -23.557 -12.732 6.030 1.00 2.15 C ATOM 0 H ALA B 140 -22.650 -10.467 6.409 1.00 1.81 H new ATOM 0 HA ALA B 140 -22.458 -12.905 7.835 1.00 2.02 H new ATOM 0 HB1 ALA B 140 -23.728 -13.805 5.947 1.00 2.15 H new ATOM 0 HB2 ALA B 140 -24.409 -12.266 6.524 1.00 2.15 H new ATOM 0 HB3 ALA B 140 -23.437 -12.305 5.034 1.00 2.15 H new ATOM 1387 N ALA B 141 -20.518 -12.464 5.234 1.00 1.68 N ATOM 1388 CA ALA B 141 -19.351 -12.942 4.542 1.00 1.65 C ATOM 1389 C ALA B 141 -18.205 -13.046 5.523 1.00 1.66 C ATOM 1390 O ALA B 141 -17.559 -14.081 5.607 1.00 1.90 O ATOM 1391 CB ALA B 141 -19.004 -12.012 3.393 1.00 1.47 C ATOM 0 H ALA B 141 -20.851 -11.556 4.910 1.00 1.68 H new ATOM 0 HA ALA B 141 -19.548 -13.928 4.122 1.00 1.65 H new ATOM 0 HB1 ALA B 141 -18.119 -12.385 2.878 1.00 1.47 H new ATOM 0 HB2 ALA B 141 -19.840 -11.969 2.695 1.00 1.47 H new ATOM 0 HB3 ALA B 141 -18.804 -11.013 3.781 1.00 1.47 H new ATOM 1397 N MET B 142 -18.031 -11.989 6.325 1.00 1.50 N ATOM 1398 CA MET B 142 -16.968 -11.915 7.319 1.00 1.61 C ATOM 1399 C MET B 142 -17.005 -13.091 8.275 1.00 1.93 C ATOM 1400 O MET B 142 -15.992 -13.501 8.837 1.00 2.11 O ATOM 1401 CB MET B 142 -17.110 -10.667 8.173 1.00 1.51 C ATOM 1402 CG MET B 142 -16.794 -9.356 7.482 1.00 1.53 C ATOM 1403 SD MET B 142 -16.825 -7.974 8.642 1.00 2.27 S ATOM 1404 CE MET B 142 -16.750 -6.579 7.526 1.00 2.42 C ATOM 0 H MET B 142 -18.628 -11.162 6.298 1.00 1.50 H new ATOM 0 HA MET B 142 -16.034 -11.910 6.756 1.00 1.61 H new ATOM 0 HB2 MET B 142 -18.132 -10.621 8.549 1.00 1.51 H new ATOM 0 HB3 MET B 142 -16.456 -10.766 9.040 1.00 1.51 H new ATOM 0 HG2 MET B 142 -15.812 -9.418 7.014 1.00 1.53 H new ATOM 0 HG3 MET B 142 -17.516 -9.180 6.685 1.00 1.53 H new ATOM 0 HE1 MET B 142 -16.460 -5.686 8.079 1.00 2.42 H new ATOM 0 HE2 MET B 142 -16.016 -6.777 6.745 1.00 2.42 H new ATOM 0 HE3 MET B 142 -17.729 -6.423 7.072 1.00 2.42 H new ATOM 1414 N ALA B 143 -18.187 -13.612 8.442 1.00 2.04 N ATOM 1415 CA ALA B 143 -18.433 -14.708 9.361 1.00 2.38 C ATOM 1416 C ALA B 143 -17.946 -16.054 8.843 1.00 2.59 C ATOM 1417 O ALA B 143 -17.384 -16.844 9.599 1.00 2.89 O ATOM 1418 CB ALA B 143 -19.915 -14.782 9.681 1.00 2.49 C ATOM 0 H ALA B 143 -19.019 -13.292 7.945 1.00 2.04 H new ATOM 0 HA ALA B 143 -17.857 -14.498 10.263 1.00 2.38 H new ATOM 0 HB1 ALA B 143 -20.098 -15.606 10.371 1.00 2.49 H new ATOM 0 HB2 ALA B 143 -20.235 -13.847 10.140 1.00 2.49 H new ATOM 0 HB3 ALA B 143 -20.478 -14.947 8.762 1.00 2.49 H new ATOM 1424 N GLU B 144 -18.157 -16.310 7.566 1.00 2.46 N ATOM 1425 CA GLU B 144 -17.799 -17.582 6.973 1.00 2.69 C ATOM 1426 C GLU B 144 -16.314 -17.822 6.957 1.00 2.75 C ATOM 1427 O GLU B 144 -15.826 -18.822 7.490 1.00 3.01 O ATOM 1428 CB GLU B 144 -18.359 -17.654 5.585 1.00 2.61 C ATOM 1429 CG GLU B 144 -19.821 -17.293 5.552 1.00 2.71 C ATOM 1430 CD GLU B 144 -20.698 -18.412 5.024 1.00 3.16 C ATOM 1431 OE1 GLU B 144 -20.750 -18.612 3.794 1.00 3.53 O ATOM 1432 OE2 GLU B 144 -21.340 -19.100 5.842 1.00 3.49 O ATOM 0 H GLU B 144 -18.578 -15.647 6.916 1.00 2.46 H new ATOM 0 HA GLU B 144 -18.229 -18.369 7.592 1.00 2.69 H new ATOM 0 HB2 GLU B 144 -17.803 -16.980 4.933 1.00 2.61 H new ATOM 0 HB3 GLU B 144 -18.224 -18.661 5.191 1.00 2.61 H new ATOM 0 HG2 GLU B 144 -20.147 -17.028 6.558 1.00 2.71 H new ATOM 0 HG3 GLU B 144 -19.957 -16.408 4.930 1.00 2.71 H new ATOM 1439 N LEU B 145 -15.595 -16.911 6.347 1.00 2.55 N ATOM 1440 CA LEU B 145 -14.160 -17.042 6.277 1.00 2.61 C ATOM 1441 C LEU B 145 -13.518 -16.800 7.636 1.00 2.66 C ATOM 1442 O LEU B 145 -12.406 -17.258 7.895 1.00 2.82 O ATOM 1443 CB LEU B 145 -13.534 -16.100 5.246 1.00 2.39 C ATOM 1444 CG LEU B 145 -14.197 -14.747 4.912 1.00 2.32 C ATOM 1445 CD1 LEU B 145 -15.224 -14.856 3.802 1.00 2.67 C ATOM 1446 CD2 LEU B 145 -14.772 -14.067 6.123 1.00 2.64 C ATOM 0 H LEU B 145 -15.975 -16.079 5.896 1.00 2.55 H new ATOM 0 HA LEU B 145 -13.966 -18.067 5.960 1.00 2.61 H new ATOM 0 HB2 LEU B 145 -12.519 -15.886 5.581 1.00 2.39 H new ATOM 0 HB3 LEU B 145 -13.451 -16.656 4.312 1.00 2.39 H new ATOM 0 HG LEU B 145 -13.392 -14.113 4.542 1.00 2.32 H new ATOM 0 HD11 LEU B 145 -15.657 -13.875 3.610 1.00 2.67 H new ATOM 0 HD12 LEU B 145 -14.743 -15.224 2.896 1.00 2.67 H new ATOM 0 HD13 LEU B 145 -16.011 -15.548 4.101 1.00 2.67 H new ATOM 0 HD21 LEU B 145 -15.225 -13.120 5.828 1.00 2.64 H new ATOM 0 HD22 LEU B 145 -15.530 -14.707 6.574 1.00 2.64 H new ATOM 0 HD23 LEU B 145 -13.978 -13.880 6.846 1.00 2.64 H new ATOM 1452 N ASN B 146 -14.240 -16.077 8.479 1.00 2.60 N ATOM 1453 CA ASN B 146 -13.799 -15.718 9.823 1.00 2.70 C ATOM 1454 C ASN B 146 -12.744 -14.639 9.693 1.00 2.57 C ATOM 1455 O ASN B 146 -11.569 -14.857 9.950 1.00 2.86 O ATOM 1456 CB ASN B 146 -13.294 -16.931 10.597 1.00 3.12 C ATOM 1457 CG ASN B 146 -12.911 -16.622 12.025 1.00 3.19 C ATOM 1458 OD1 ASN B 146 -11.748 -16.365 12.341 1.00 3.34 O ATOM 1459 ND2 ASN B 146 -13.881 -16.672 12.905 1.00 3.49 N ATOM 0 H ASN B 146 -15.165 -15.716 8.246 1.00 2.60 H new ATOM 0 HA ASN B 146 -14.640 -15.336 10.402 1.00 2.70 H new ATOM 0 HB2 ASN B 146 -14.067 -17.700 10.595 1.00 3.12 H new ATOM 0 HB3 ASN B 146 -12.429 -17.347 10.080 1.00 3.12 H new ATOM 0 HD21 ASN B 146 -13.685 -16.495 13.890 1.00 3.49 H new ATOM 0 HD22 ASN B 146 -14.832 -16.888 12.605 1.00 3.49 H new ATOM 1466 N TYR B 147 -13.230 -13.506 9.199 1.00 2.19 N ATOM 1467 CA TYR B 147 -12.455 -12.293 8.925 1.00 2.03 C ATOM 1468 C TYR B 147 -11.490 -11.873 10.065 1.00 2.31 C ATOM 1469 O TYR B 147 -10.602 -12.624 10.452 1.00 2.53 O ATOM 1470 CB TYR B 147 -13.454 -11.170 8.574 1.00 1.65 C ATOM 1471 CG TYR B 147 -12.824 -9.850 8.156 1.00 1.50 C ATOM 1472 CD1 TYR B 147 -11.683 -9.806 7.365 1.00 1.48 C ATOM 1473 CD2 TYR B 147 -13.365 -8.648 8.590 1.00 1.57 C ATOM 1474 CE1 TYR B 147 -11.104 -8.600 7.024 1.00 1.52 C ATOM 1475 CE2 TYR B 147 -12.792 -7.444 8.246 1.00 1.55 C ATOM 1476 CZ TYR B 147 -11.662 -7.425 7.465 1.00 1.52 C ATOM 1477 OH TYR B 147 -11.089 -6.223 7.125 1.00 1.65 O ATOM 0 H TYR B 147 -14.218 -13.399 8.967 1.00 2.19 H new ATOM 0 HA TYR B 147 -11.787 -12.498 8.088 1.00 2.03 H new ATOM 0 HB2 TYR B 147 -14.099 -11.518 7.767 1.00 1.65 H new ATOM 0 HB3 TYR B 147 -14.094 -10.991 9.438 1.00 1.65 H new ATOM 0 HD1 TYR B 147 -11.243 -10.727 7.012 1.00 1.48 H new ATOM 0 HD2 TYR B 147 -14.251 -8.657 9.208 1.00 1.57 H new ATOM 0 HE1 TYR B 147 -10.214 -8.581 6.412 1.00 1.52 H new ATOM 0 HE2 TYR B 147 -13.229 -6.518 8.589 1.00 1.55 H new ATOM 0 HH TYR B 147 -10.183 -6.377 6.784 1.00 1.65 H new ATOM 1487 N ILE B 148 -11.629 -10.623 10.498 1.00 2.42 N ATOM 1488 CA ILE B 148 -10.821 -9.992 11.536 1.00 2.80 C ATOM 1489 C ILE B 148 -9.723 -9.188 10.848 1.00 2.72 C ATOM 1490 O ILE B 148 -8.860 -9.748 10.175 1.00 2.76 O ATOM 1491 CB ILE B 148 -10.233 -10.981 12.555 1.00 3.30 C ATOM 1492 CG1 ILE B 148 -11.348 -11.482 13.472 1.00 3.52 C ATOM 1493 CG2 ILE B 148 -9.112 -10.336 13.366 1.00 3.81 C ATOM 1494 CD1 ILE B 148 -10.880 -12.452 14.526 1.00 3.83 C ATOM 0 H ILE B 148 -12.338 -9.996 10.118 1.00 2.42 H new ATOM 0 HA ILE B 148 -11.469 -9.344 12.126 1.00 2.80 H new ATOM 0 HB ILE B 148 -9.800 -11.826 12.019 1.00 3.30 H new ATOM 0 HG12 ILE B 148 -11.815 -10.627 13.960 1.00 3.52 H new ATOM 0 HG13 ILE B 148 -12.116 -11.962 12.866 1.00 3.52 H new ATOM 0 HG21 ILE B 148 -8.716 -11.060 14.078 1.00 3.81 H new ATOM 0 HG22 ILE B 148 -8.316 -10.014 12.695 1.00 3.81 H new ATOM 0 HG23 ILE B 148 -9.503 -9.473 13.905 1.00 3.81 H new ATOM 0 HD11 ILE B 148 -11.728 -12.762 15.137 1.00 3.83 H new ATOM 0 HD12 ILE B 148 -10.439 -13.326 14.046 1.00 3.83 H new ATOM 0 HD13 ILE B 148 -10.134 -11.970 15.158 1.00 3.83 H new ATOM 1498 N PRO B 149 -9.766 -7.857 10.989 1.00 2.88 N ATOM 1499 CA PRO B 149 -8.817 -6.956 10.347 1.00 3.03 C ATOM 1500 C PRO B 149 -7.565 -6.726 11.180 1.00 2.77 C ATOM 1501 O PRO B 149 -7.460 -7.214 12.306 1.00 3.05 O ATOM 1502 CB PRO B 149 -9.628 -5.666 10.227 1.00 3.57 C ATOM 1503 CG PRO B 149 -10.572 -5.682 11.387 1.00 3.57 C ATOM 1504 CD PRO B 149 -10.726 -7.120 11.826 1.00 3.26 C ATOM 0 HA PRO B 149 -8.444 -7.348 9.401 1.00 3.03 H new ATOM 0 HB2 PRO B 149 -8.980 -4.790 10.260 1.00 3.57 H new ATOM 0 HB3 PRO B 149 -10.168 -5.628 9.281 1.00 3.57 H new ATOM 0 HG2 PRO B 149 -10.187 -5.071 12.203 1.00 3.57 H new ATOM 0 HG3 PRO B 149 -11.537 -5.262 11.102 1.00 3.57 H new ATOM 0 HD2 PRO B 149 -10.503 -7.239 12.886 1.00 3.26 H new ATOM 0 HD3 PRO B 149 -11.744 -7.477 11.672 1.00 3.26 H new ATOM 1512 N ASN B 150 -6.616 -5.978 10.630 1.00 2.62 N ATOM 1513 CA ASN B 150 -5.387 -5.670 11.320 1.00 2.54 C ATOM 1514 C ASN B 150 -5.464 -4.227 11.794 1.00 2.42 C ATOM 1515 O ASN B 150 -5.687 -3.318 10.991 1.00 2.60 O ATOM 1516 CB ASN B 150 -4.200 -5.876 10.379 1.00 2.56 C ATOM 1517 CG ASN B 150 -3.559 -7.228 10.552 1.00 3.19 C ATOM 1518 OD1 ASN B 150 -3.452 -7.752 11.663 1.00 3.68 O ATOM 1519 ND2 ASN B 150 -3.134 -7.809 9.448 1.00 3.53 N ATOM 0 H ASN B 150 -6.684 -5.573 9.696 1.00 2.62 H new ATOM 0 HA ASN B 150 -5.249 -6.328 12.178 1.00 2.54 H new ATOM 0 HB2 ASN B 150 -4.534 -5.764 9.347 1.00 2.56 H new ATOM 0 HB3 ASN B 150 -3.457 -5.099 10.560 1.00 2.56 H new ATOM 0 HD21 ASN B 150 -2.696 -8.729 9.492 1.00 3.53 H new ATOM 0 HD22 ASN B 150 -3.243 -7.339 8.550 1.00 3.53 H new ATOM 1526 N ARG B 151 -5.277 -4.025 13.086 1.00 2.38 N ATOM 1527 CA ARG B 151 -5.383 -2.700 13.697 1.00 2.38 C ATOM 1528 C ARG B 151 -4.450 -1.662 13.084 1.00 2.32 C ATOM 1529 O ARG B 151 -4.768 -0.479 13.075 1.00 2.27 O ATOM 1530 CB ARG B 151 -5.129 -2.788 15.198 1.00 2.76 C ATOM 1531 CG ARG B 151 -6.349 -2.430 16.032 1.00 2.95 C ATOM 1532 CD ARG B 151 -7.429 -3.497 15.936 1.00 3.01 C ATOM 1533 NE ARG B 151 -8.646 -3.007 15.286 1.00 3.24 N ATOM 1534 CZ ARG B 151 -9.821 -3.643 15.338 1.00 3.63 C ATOM 1535 NH1 ARG B 151 -9.928 -4.798 15.984 1.00 3.98 N ATOM 1536 NH2 ARG B 151 -10.886 -3.134 14.731 1.00 4.07 N ATOM 0 H ARG B 151 -5.048 -4.769 13.745 1.00 2.38 H new ATOM 0 HA ARG B 151 -6.401 -2.362 13.500 1.00 2.38 H new ATOM 0 HB2 ARG B 151 -4.810 -3.800 15.448 1.00 2.76 H new ATOM 0 HB3 ARG B 151 -4.308 -2.121 15.461 1.00 2.76 H new ATOM 0 HG2 ARG B 151 -6.054 -2.304 17.074 1.00 2.95 H new ATOM 0 HG3 ARG B 151 -6.751 -1.474 15.697 1.00 2.95 H new ATOM 0 HD2 ARG B 151 -7.043 -4.351 15.380 1.00 3.01 H new ATOM 0 HD3 ARG B 151 -7.674 -3.853 16.937 1.00 3.01 H new ATOM 0 HE ARG B 151 -8.595 -2.132 14.765 1.00 3.24 H new ATOM 0 HH11 ARG B 151 -9.112 -5.203 16.443 1.00 3.98 H new ATOM 0 HH12 ARG B 151 -10.826 -5.280 16.021 1.00 3.98 H new ATOM 0 HH21 ARG B 151 -10.810 -2.254 14.222 1.00 4.07 H new ATOM 0 HH22 ARG B 151 -11.780 -3.623 14.774 1.00 4.07 H new ATOM 1550 N CYS B 152 -3.326 -2.091 12.544 1.00 2.48 N ATOM 1551 CA CYS B 152 -2.374 -1.149 11.967 1.00 2.63 C ATOM 1552 C CYS B 152 -2.833 -0.736 10.593 1.00 2.50 C ATOM 1553 O CYS B 152 -2.832 0.442 10.265 1.00 2.67 O ATOM 1554 CB CYS B 152 -0.979 -1.753 11.902 1.00 2.93 C ATOM 1555 SG CYS B 152 0.385 -0.547 12.059 1.00 3.23 S ATOM 0 H CYS B 152 -3.048 -3.071 12.490 1.00 2.48 H new ATOM 0 HA CYS B 152 -2.327 -0.268 12.608 1.00 2.63 H new ATOM 0 HB2 CYS B 152 -0.882 -2.495 12.694 1.00 2.93 H new ATOM 0 HB3 CYS B 152 -0.871 -2.282 10.955 1.00 2.93 H new ATOM 1560 N ALA B 153 -3.196 -1.709 9.786 1.00 2.32 N ATOM 1561 CA ALA B 153 -3.709 -1.423 8.457 1.00 2.32 C ATOM 1562 C ALA B 153 -4.857 -0.423 8.560 1.00 2.21 C ATOM 1563 O ALA B 153 -4.999 0.468 7.729 1.00 2.45 O ATOM 1564 CB ALA B 153 -4.159 -2.701 7.778 1.00 2.28 C ATOM 0 H ALA B 153 -3.147 -2.700 10.021 1.00 2.32 H new ATOM 0 HA ALA B 153 -2.917 -0.985 7.849 1.00 2.32 H new ATOM 0 HB1 ALA B 153 -4.541 -2.470 6.784 1.00 2.28 H new ATOM 0 HB2 ALA B 153 -3.314 -3.385 7.693 1.00 2.28 H new ATOM 0 HB3 ALA B 153 -4.946 -3.169 8.369 1.00 2.28 H new ATOM 1570 N GLN B 154 -5.651 -0.570 9.617 1.00 2.00 N ATOM 1571 CA GLN B 154 -6.760 0.313 9.886 1.00 2.06 C ATOM 1572 C GLN B 154 -6.252 1.668 10.370 1.00 2.35 C ATOM 1573 O GLN B 154 -6.731 2.712 9.943 1.00 2.61 O ATOM 1574 CB GLN B 154 -7.648 -0.312 10.944 1.00 2.05 C ATOM 1575 CG GLN B 154 -8.295 -1.601 10.493 1.00 1.74 C ATOM 1576 CD GLN B 154 -9.540 -1.895 11.260 1.00 1.62 C ATOM 1577 OE1 GLN B 154 -9.524 -2.614 12.255 1.00 2.13 O ATOM 1578 NE2 GLN B 154 -10.623 -1.318 10.807 1.00 1.56 N ATOM 0 H GLN B 154 -5.535 -1.311 10.308 1.00 2.00 H new ATOM 0 HA GLN B 154 -7.330 0.464 8.970 1.00 2.06 H new ATOM 0 HB2 GLN B 154 -7.056 -0.504 11.839 1.00 2.05 H new ATOM 0 HB3 GLN B 154 -8.426 0.399 11.223 1.00 2.05 H new ATOM 0 HG2 GLN B 154 -8.529 -1.537 9.430 1.00 1.74 H new ATOM 0 HG3 GLN B 154 -7.590 -2.423 10.615 1.00 1.74 H new ATOM 0 HE21 GLN B 154 -10.578 -0.730 9.975 1.00 1.56 H new ATOM 0 HE22 GLN B 154 -11.513 -1.456 11.286 1.00 1.56 H new ATOM 1585 N GLN B 155 -5.285 1.631 11.287 1.00 2.42 N ATOM 1586 CA GLN B 155 -4.689 2.843 11.837 1.00 2.79 C ATOM 1587 C GLN B 155 -4.050 3.674 10.735 1.00 3.09 C ATOM 1588 O GLN B 155 -4.156 4.904 10.720 1.00 3.45 O ATOM 1589 CB GLN B 155 -3.666 2.474 12.903 1.00 2.96 C ATOM 1590 CG GLN B 155 -4.248 2.359 14.295 1.00 2.89 C ATOM 1591 CD GLN B 155 -5.112 3.539 14.661 1.00 3.39 C ATOM 1592 OE1 GLN B 155 -6.338 3.493 14.201 1.00 3.95 O flip ATOM 1593 NE2 GLN B 155 -4.672 4.481 15.319 1.00 3.50 N flip ATOM 0 H GLN B 155 -4.897 0.767 11.665 1.00 2.42 H new ATOM 0 HA GLN B 155 -5.471 3.447 12.297 1.00 2.79 H new ATOM 0 HB2 GLN B 155 -3.201 1.525 12.634 1.00 2.96 H new ATOM 0 HB3 GLN B 155 -2.876 3.225 12.911 1.00 2.96 H new ATOM 0 HG2 GLN B 155 -4.839 1.446 14.364 1.00 2.89 H new ATOM 0 HG3 GLN B 155 -3.437 2.269 15.018 1.00 2.89 H new ATOM 0 HE21 GLN B 155 -3.708 4.464 15.652 1.00 3.50 H new ATOM 0 HE22 GLN B 155 -5.271 5.279 15.531 1.00 3.50 H new ATOM 1600 N LEU B 156 -3.384 2.983 9.824 1.00 3.06 N ATOM 1601 CA LEU B 156 -2.739 3.608 8.689 1.00 3.49 C ATOM 1602 C LEU B 156 -3.766 4.154 7.695 1.00 3.68 C ATOM 1603 O LEU B 156 -3.810 5.351 7.424 1.00 4.13 O ATOM 1604 CB LEU B 156 -1.863 2.556 8.005 1.00 3.53 C ATOM 1605 CG LEU B 156 -0.709 3.098 7.179 1.00 4.11 C ATOM 1606 CD1 LEU B 156 0.079 4.084 8.005 1.00 4.43 C ATOM 1607 CD2 LEU B 156 0.188 1.969 6.714 1.00 4.41 C ATOM 0 H LEU B 156 -3.277 1.969 9.854 1.00 3.06 H new ATOM 0 HA LEU B 156 -2.138 4.449 9.034 1.00 3.49 H new ATOM 0 HB2 LEU B 156 -1.459 1.893 8.770 1.00 3.53 H new ATOM 0 HB3 LEU B 156 -2.495 1.948 7.358 1.00 3.53 H new ATOM 0 HG LEU B 156 -1.107 3.601 6.298 1.00 4.11 H new ATOM 0 HD11 LEU B 156 0.908 4.474 7.414 1.00 4.43 H new ATOM 0 HD12 LEU B 156 -0.570 4.906 8.307 1.00 4.43 H new ATOM 0 HD13 LEU B 156 0.469 3.585 8.892 1.00 4.43 H new ATOM 0 HD21 LEU B 156 1.009 2.376 6.124 1.00 4.41 H new ATOM 0 HD22 LEU B 156 0.590 1.443 7.580 1.00 4.41 H new ATOM 0 HD23 LEU B 156 -0.388 1.274 6.103 1.00 4.41 H new ATOM 1613 N ALA B 157 -4.584 3.258 7.168 1.00 3.42 N ATOM 1614 CA ALA B 157 -5.625 3.625 6.205 1.00 3.67 C ATOM 1615 C ALA B 157 -6.614 4.645 6.769 1.00 3.76 C ATOM 1616 O ALA B 157 -7.156 5.471 6.033 1.00 4.19 O ATOM 1617 CB ALA B 157 -6.367 2.389 5.720 1.00 3.75 C ATOM 0 H ALA B 157 -4.551 2.263 7.389 1.00 3.42 H new ATOM 0 HA ALA B 157 -5.120 4.097 5.362 1.00 3.67 H new ATOM 0 HB1 ALA B 157 -7.136 2.683 5.006 1.00 3.75 H new ATOM 0 HB2 ALA B 157 -5.665 1.709 5.238 1.00 3.75 H new ATOM 0 HB3 ALA B 157 -6.833 1.888 6.569 1.00 3.75 H new ATOM 1623 N GLY B 158 -6.848 4.588 8.071 1.00 3.59 N ATOM 1624 CA GLY B 158 -7.765 5.514 8.708 1.00 3.97 C ATOM 1625 C GLY B 158 -7.117 6.853 8.997 1.00 4.36 C ATOM 1626 O GLY B 158 -7.765 7.778 9.488 1.00 4.91 O ATOM 0 H GLY B 158 -6.417 3.913 8.703 1.00 3.59 H new ATOM 0 HA2 GLY B 158 -8.633 5.663 8.065 1.00 3.97 H new ATOM 0 HA3 GLY B 158 -8.129 5.080 9.639 1.00 3.97 H new ATOM 1630 N LYS B 159 -5.835 6.955 8.678 1.00 4.48 N ATOM 1631 CA LYS B 159 -5.073 8.168 8.901 1.00 5.33 C ATOM 1632 C LYS B 159 -5.138 9.097 7.687 1.00 5.77 C ATOM 1633 O LYS B 159 -4.442 10.111 7.637 1.00 6.56 O ATOM 1634 CB LYS B 159 -3.621 7.813 9.206 1.00 5.95 C ATOM 1635 CG LYS B 159 -2.867 8.876 9.989 1.00 7.06 C ATOM 1636 CD LYS B 159 -1.441 9.032 9.482 1.00 7.88 C ATOM 1637 CE LYS B 159 -1.386 9.927 8.256 1.00 8.15 C ATOM 1638 NZ LYS B 159 -1.648 11.351 8.599 1.00 8.98 N ATOM 0 H LYS B 159 -5.297 6.197 8.257 1.00 4.48 H new ATOM 0 HA LYS B 159 -5.509 8.693 9.751 1.00 5.33 H new ATOM 0 HB2 LYS B 159 -3.598 6.880 9.769 1.00 5.95 H new ATOM 0 HB3 LYS B 159 -3.099 7.632 8.267 1.00 5.95 H new ATOM 0 HG2 LYS B 159 -3.390 9.829 9.908 1.00 7.06 H new ATOM 0 HG3 LYS B 159 -2.852 8.609 11.046 1.00 7.06 H new ATOM 0 HD2 LYS B 159 -0.817 9.453 10.270 1.00 7.88 H new ATOM 0 HD3 LYS B 159 -1.030 8.052 9.238 1.00 7.88 H new ATOM 0 HE2 LYS B 159 -0.406 9.841 7.787 1.00 8.15 H new ATOM 0 HE3 LYS B 159 -2.120 9.588 7.525 1.00 8.15 H new ATOM 0 HZ1 LYS B 159 -1.311 11.962 7.828 1.00 8.98 H new ATOM 0 HZ2 LYS B 159 -2.670 11.494 8.732 1.00 8.98 H new ATOM 0 HZ3 LYS B 159 -1.147 11.594 9.477 1.00 8.98 H new