USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1029 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot 62:sc= 0.0456 USER MOD Set 1.2: A 90 TYR OH : rot 150:sc= 0.398 USER MOD Set 2.1: A 52 LYS NZ :NH3+ -179:sc= 2.37 (180deg=1.99) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= 0.199 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.855 (180deg=0.157!) USER MOD Single : A 3 LYS NZ :NH3+ -154:sc= -0.618 (180deg=-1.76!) USER MOD Single : A 8 SER OG : rot 45:sc= 0.144 USER MOD Single : A 11 GLN : amide:sc= -0.639 K(o=-0.64,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 172:sc=-0.00507 (180deg=-0.0902) USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= 0.842 (180deg=0.617) USER MOD Single : A 26 TYR OH : rot 110:sc=-0.00225 USER MOD Single : A 29 GLN : amide:sc= -0.0603 X(o=-0.06,f=-0.087) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 146:sc=0.000692 USER MOD Single : A 32 ASN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -105:sc= -0.0286 (180deg=-0.742!) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0285) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.16 (180deg=-1.03) USER MOD Single : A 45 ASN : amide:sc= 0.781 K(o=0.78,f=-3.3!) USER MOD Single : A 48 MET CE :methyl -171:sc= -1.06 (180deg=-1.49) USER MOD Single : A 53 THR OG1 : rot 60:sc= 0.46 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.612 K(o=-0.61,f=-0.016) USER MOD Single : A 69 SER OG : rot -157:sc= -1.12 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.535 (180deg=0.529) USER MOD Single : A 77 SER OG : rot -66:sc= 0.55 USER MOD Single : A 81 ASN : amide:sc= -0.165 X(o=-0.17,f=0) USER MOD Single : A 85 SER OG : rot 72:sc= 1.33 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 120:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= 0.263 (180deg=0.0306) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0.815 (180deg=0.796) USER MOD Single : A 113 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.19) USER MOD Single : A 117 SER OG : rot 65:sc= 0.0271 USER MOD Single : A 120 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-3.1!) USER MOD Single : A 121 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.079) USER MOD Single : A 122 HIS : no HD1:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 123 HIS : no HD1:sc=-0.00224 X(o=-0.0022,f=-0.0022) USER MOD Single : A 124 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.086) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.735 8.952 -1.237 1.00 2.21 N ATOM 2 CA MET A 1 15.428 9.627 -1.107 1.00 15.31 C ATOM 3 C MET A 1 14.429 8.717 -0.370 1.00 13.13 C ATOM 4 O MET A 1 14.025 9.021 0.756 1.00 21.01 O ATOM 5 CB MET A 1 14.872 10.030 -2.497 1.00 4.41 C ATOM 6 CG MET A 1 15.775 10.972 -3.307 1.00 52.51 C ATOM 7 SD MET A 1 17.359 10.214 -3.751 1.00 62.15 S ATOM 8 CE MET A 1 18.169 11.548 -4.640 1.00 3.43 C ATOM 0 H1 MET A 1 17.134 9.147 -2.177 1.00 2.21 H new ATOM 0 H2 MET A 1 17.383 9.307 -0.505 1.00 2.21 H new ATOM 0 H3 MET A 1 16.609 7.926 -1.120 1.00 2.21 H new ATOM 0 HA MET A 1 15.569 10.537 -0.523 1.00 15.31 H new ATOM 0 HB2 MET A 1 14.700 9.125 -3.080 1.00 4.41 H new ATOM 0 HB3 MET A 1 13.903 10.509 -2.359 1.00 4.41 H new ATOM 0 HG2 MET A 1 15.255 11.275 -4.216 1.00 52.51 H new ATOM 0 HG3 MET A 1 15.960 11.877 -2.729 1.00 52.51 H new ATOM 0 HE1 MET A 1 19.154 11.219 -4.971 1.00 3.43 H new ATOM 0 HE2 MET A 1 17.569 11.825 -5.507 1.00 3.43 H new ATOM 0 HE3 MET A 1 18.276 12.411 -3.983 1.00 3.43 H new ATOM 20 N GLY A 2 14.039 7.596 -1.016 1.00 22.24 N ATOM 21 CA GLY A 2 13.021 6.690 -0.471 1.00 11.22 C ATOM 22 C GLY A 2 11.636 7.329 -0.467 1.00 50.43 C ATOM 23 O GLY A 2 11.075 7.598 0.603 1.00 72.43 O ATOM 0 H GLY A 2 14.418 7.302 -1.916 1.00 22.24 H new ATOM 0 HA2 GLY A 2 12.997 5.774 -1.061 1.00 11.22 H new ATOM 0 HA3 GLY A 2 13.293 6.407 0.546 1.00 11.22 H new ATOM 27 N LYS A 3 11.116 7.619 -1.676 1.00 70.31 N ATOM 28 CA LYS A 3 9.793 8.242 -1.850 1.00 32.15 C ATOM 29 C LYS A 3 8.673 7.260 -1.476 1.00 24.52 C ATOM 30 O LYS A 3 8.441 6.266 -2.183 1.00 32.23 O ATOM 31 CB LYS A 3 9.608 8.754 -3.308 1.00 64.13 C ATOM 32 CG LYS A 3 8.218 9.384 -3.619 1.00 2.33 C ATOM 33 CD LYS A 3 7.782 10.517 -2.640 1.00 61.02 C ATOM 34 CE LYS A 3 8.602 11.827 -2.752 1.00 1.03 C ATOM 35 NZ LYS A 3 9.984 11.720 -2.199 1.00 2.31 N ATOM 0 H LYS A 3 11.600 7.428 -2.554 1.00 70.31 H new ATOM 0 HA LYS A 3 9.734 9.099 -1.178 1.00 32.15 H new ATOM 0 HB2 LYS A 3 10.380 9.495 -3.516 1.00 64.13 H new ATOM 0 HB3 LYS A 3 9.773 7.921 -3.992 1.00 64.13 H new ATOM 0 HG2 LYS A 3 8.235 9.785 -4.633 1.00 2.33 H new ATOM 0 HG3 LYS A 3 7.465 8.596 -3.600 1.00 2.33 H new ATOM 0 HD2 LYS A 3 6.731 10.747 -2.818 1.00 61.02 H new ATOM 0 HD3 LYS A 3 7.858 10.144 -1.619 1.00 61.02 H new ATOM 0 HE2 LYS A 3 8.662 12.119 -3.800 1.00 1.03 H new ATOM 0 HE3 LYS A 3 8.072 12.623 -2.229 1.00 1.03 H new ATOM 0 HZ1 LYS A 3 10.311 12.660 -1.898 1.00 2.31 H new ATOM 0 HZ2 LYS A 3 9.982 11.076 -1.382 1.00 2.31 H new ATOM 0 HZ3 LYS A 3 10.623 11.349 -2.931 1.00 2.31 H new ATOM 49 N VAL A 4 8.004 7.554 -0.351 1.00 40.25 N ATOM 50 CA VAL A 4 6.869 6.776 0.141 1.00 51.30 C ATOM 51 C VAL A 4 5.565 7.486 -0.230 1.00 34.31 C ATOM 52 O VAL A 4 5.390 8.671 0.074 1.00 21.50 O ATOM 53 CB VAL A 4 6.913 6.588 1.699 1.00 31.12 C ATOM 54 CG1 VAL A 4 5.837 5.575 2.164 1.00 31.05 C ATOM 55 CG2 VAL A 4 8.324 6.177 2.173 1.00 3.33 C ATOM 0 H VAL A 4 8.242 8.347 0.245 1.00 40.25 H new ATOM 0 HA VAL A 4 6.922 5.791 -0.323 1.00 51.30 H new ATOM 0 HB VAL A 4 6.684 7.548 2.161 1.00 31.12 H new ATOM 0 HG11 VAL A 4 5.888 5.462 3.247 1.00 31.05 H new ATOM 0 HG12 VAL A 4 4.849 5.939 1.883 1.00 31.05 H new ATOM 0 HG13 VAL A 4 6.016 4.610 1.690 1.00 31.05 H new ATOM 0 HG21 VAL A 4 8.323 6.054 3.256 1.00 3.33 H new ATOM 0 HG22 VAL A 4 8.606 5.236 1.702 1.00 3.33 H new ATOM 0 HG23 VAL A 4 9.040 6.950 1.896 1.00 3.33 H new ATOM 65 N VAL A 5 4.670 6.759 -0.903 1.00 11.30 N ATOM 66 CA VAL A 5 3.316 7.230 -1.217 1.00 14.05 C ATOM 67 C VAL A 5 2.308 6.179 -0.733 1.00 12.42 C ATOM 68 O VAL A 5 2.349 5.024 -1.173 1.00 15.13 O ATOM 69 CB VAL A 5 3.133 7.515 -2.757 1.00 21.14 C ATOM 70 CG1 VAL A 5 1.671 7.881 -3.110 1.00 20.44 C ATOM 71 CG2 VAL A 5 4.102 8.626 -3.227 1.00 10.15 C ATOM 0 H VAL A 5 4.865 5.819 -1.249 1.00 11.30 H new ATOM 0 HA VAL A 5 3.144 8.176 -0.704 1.00 14.05 H new ATOM 0 HB VAL A 5 3.374 6.593 -3.287 1.00 21.14 H new ATOM 0 HG11 VAL A 5 1.591 8.069 -4.181 1.00 20.44 H new ATOM 0 HG12 VAL A 5 1.013 7.056 -2.837 1.00 20.44 H new ATOM 0 HG13 VAL A 5 1.377 8.776 -2.562 1.00 20.44 H new ATOM 0 HG21 VAL A 5 3.959 8.807 -4.292 1.00 10.15 H new ATOM 0 HG22 VAL A 5 3.900 9.543 -2.673 1.00 10.15 H new ATOM 0 HG23 VAL A 5 5.130 8.312 -3.047 1.00 10.15 H new ATOM 81 N PHE A 6 1.442 6.570 0.216 1.00 33.13 N ATOM 82 CA PHE A 6 0.359 5.716 0.713 1.00 14.33 C ATOM 83 C PHE A 6 -0.914 5.922 -0.127 1.00 4.14 C ATOM 84 O PHE A 6 -1.189 7.025 -0.621 1.00 50.33 O ATOM 85 CB PHE A 6 0.066 6.011 2.203 1.00 54.23 C ATOM 86 CG PHE A 6 -1.028 5.143 2.820 1.00 74.52 C ATOM 87 CD1 PHE A 6 -0.841 3.770 2.955 1.00 70.10 C ATOM 88 CD2 PHE A 6 -2.248 5.685 3.238 1.00 3.03 C ATOM 89 CE1 PHE A 6 -1.824 2.965 3.486 1.00 31.31 C ATOM 90 CE2 PHE A 6 -3.228 4.878 3.775 1.00 31.32 C ATOM 91 CZ PHE A 6 -3.016 3.516 3.891 1.00 62.15 C ATOM 0 H PHE A 6 1.476 7.488 0.658 1.00 33.13 H new ATOM 0 HA PHE A 6 0.677 4.677 0.623 1.00 14.33 H new ATOM 0 HB2 PHE A 6 0.984 5.875 2.774 1.00 54.23 H new ATOM 0 HB3 PHE A 6 -0.220 7.058 2.303 1.00 54.23 H new ATOM 0 HD1 PHE A 6 0.092 3.328 2.637 1.00 70.10 H new ATOM 0 HD2 PHE A 6 -2.424 6.746 3.139 1.00 3.03 H new ATOM 0 HE1 PHE A 6 -1.658 1.902 3.584 1.00 31.31 H new ATOM 0 HE2 PHE A 6 -4.162 5.309 4.105 1.00 31.32 H new ATOM 0 HZ PHE A 6 -3.790 2.884 4.301 1.00 62.15 H new ATOM 101 N LEU A 7 -1.672 4.842 -0.269 1.00 4.50 N ATOM 102 CA LEU A 7 -2.951 4.806 -0.964 1.00 41.21 C ATOM 103 C LEU A 7 -3.928 3.979 -0.119 1.00 0.32 C ATOM 104 O LEU A 7 -3.570 2.908 0.371 1.00 50.23 O ATOM 105 CB LEU A 7 -2.766 4.179 -2.371 1.00 34.40 C ATOM 106 CG LEU A 7 -4.068 3.923 -3.194 1.00 43.50 C ATOM 107 CD1 LEU A 7 -4.821 5.237 -3.487 1.00 60.43 C ATOM 108 CD2 LEU A 7 -3.750 3.147 -4.486 1.00 0.42 C ATOM 0 H LEU A 7 -1.402 3.935 0.111 1.00 4.50 H new ATOM 0 HA LEU A 7 -3.346 5.813 -1.097 1.00 41.21 H new ATOM 0 HB2 LEU A 7 -2.117 4.833 -2.954 1.00 34.40 H new ATOM 0 HB3 LEU A 7 -2.243 3.230 -2.256 1.00 34.40 H new ATOM 0 HG LEU A 7 -4.733 3.306 -2.590 1.00 43.50 H new ATOM 0 HD11 LEU A 7 -5.722 5.020 -4.061 1.00 60.43 H new ATOM 0 HD12 LEU A 7 -5.096 5.716 -2.547 1.00 60.43 H new ATOM 0 HD13 LEU A 7 -4.178 5.905 -4.060 1.00 60.43 H new ATOM 0 HD21 LEU A 7 -4.670 2.979 -5.045 1.00 0.42 H new ATOM 0 HD22 LEU A 7 -3.055 3.725 -5.096 1.00 0.42 H new ATOM 0 HD23 LEU A 7 -3.299 2.188 -4.233 1.00 0.42 H new ATOM 120 N SER A 8 -5.142 4.495 0.078 1.00 54.30 N ATOM 121 CA SER A 8 -6.234 3.767 0.726 1.00 0.04 C ATOM 122 C SER A 8 -7.542 4.167 0.070 1.00 14.31 C ATOM 123 O SER A 8 -7.675 5.292 -0.422 1.00 12.11 O ATOM 124 CB SER A 8 -6.287 4.074 2.238 1.00 72.31 C ATOM 125 OG SER A 8 -7.373 3.415 2.884 1.00 42.33 O ATOM 0 H SER A 8 -5.397 5.439 -0.211 1.00 54.30 H new ATOM 0 HA SER A 8 -6.066 2.696 0.610 1.00 0.04 H new ATOM 0 HB2 SER A 8 -5.350 3.767 2.702 1.00 72.31 H new ATOM 0 HB3 SER A 8 -6.378 5.150 2.385 1.00 72.31 H new ATOM 0 HG SER A 8 -7.419 2.485 2.580 1.00 42.33 H new ATOM 131 N ASP A 9 -8.507 3.246 0.085 1.00 24.03 N ATOM 132 CA ASP A 9 -9.847 3.487 -0.471 1.00 44.35 C ATOM 133 C ASP A 9 -10.740 4.167 0.598 1.00 4.41 C ATOM 134 O ASP A 9 -11.813 4.683 0.284 1.00 31.40 O ATOM 135 CB ASP A 9 -10.450 2.145 -0.969 1.00 64.53 C ATOM 136 CG ASP A 9 -11.646 2.299 -1.925 1.00 3.10 C ATOM 137 OD1 ASP A 9 -11.429 2.496 -3.145 1.00 22.33 O ATOM 138 OD2 ASP A 9 -12.812 2.195 -1.478 1.00 4.12 O ATOM 0 H ASP A 9 -8.386 2.314 0.481 1.00 24.03 H new ATOM 0 HA ASP A 9 -9.786 4.161 -1.326 1.00 44.35 H new ATOM 0 HB2 ASP A 9 -9.669 1.575 -1.473 1.00 64.53 H new ATOM 0 HB3 ASP A 9 -10.765 1.560 -0.105 1.00 64.53 H new ATOM 143 N ASP A 10 -10.260 4.191 1.860 1.00 60.54 N ATOM 144 CA ASP A 10 -10.974 4.803 3.002 1.00 21.55 C ATOM 145 C ASP A 10 -10.167 5.982 3.596 1.00 64.41 C ATOM 146 O ASP A 10 -8.946 5.885 3.764 1.00 64.55 O ATOM 147 CB ASP A 10 -11.241 3.735 4.092 1.00 55.11 C ATOM 148 CG ASP A 10 -11.912 4.319 5.358 1.00 42.22 C ATOM 149 OD1 ASP A 10 -13.132 4.594 5.329 1.00 34.43 O ATOM 150 OD2 ASP A 10 -11.219 4.524 6.372 1.00 62.41 O ATOM 0 H ASP A 10 -9.361 3.784 2.117 1.00 60.54 H new ATOM 0 HA ASP A 10 -11.926 5.193 2.641 1.00 21.55 H new ATOM 0 HB2 ASP A 10 -11.877 2.953 3.678 1.00 55.11 H new ATOM 0 HB3 ASP A 10 -10.298 3.265 4.371 1.00 55.11 H new ATOM 155 N GLN A 11 -10.896 7.058 3.944 1.00 3.53 N ATOM 156 CA GLN A 11 -10.343 8.320 4.484 1.00 22.21 C ATOM 157 C GLN A 11 -9.695 8.148 5.879 1.00 51.22 C ATOM 158 O GLN A 11 -8.608 8.686 6.136 1.00 5.10 O ATOM 159 CB GLN A 11 -11.482 9.380 4.559 1.00 40.22 C ATOM 160 CG GLN A 11 -11.092 10.740 5.177 1.00 70.23 C ATOM 161 CD GLN A 11 -10.041 11.502 4.370 1.00 33.14 C ATOM 162 OE1 GLN A 11 -10.370 12.287 3.483 1.00 44.23 O ATOM 163 NE2 GLN A 11 -8.768 11.281 4.672 1.00 54.11 N ATOM 0 H GLN A 11 -11.912 7.077 3.856 1.00 3.53 H new ATOM 0 HA GLN A 11 -9.551 8.647 3.810 1.00 22.21 H new ATOM 0 HB2 GLN A 11 -11.858 9.554 3.551 1.00 40.22 H new ATOM 0 HB3 GLN A 11 -12.305 8.961 5.138 1.00 40.22 H new ATOM 0 HG2 GLN A 11 -11.986 11.357 5.268 1.00 70.23 H new ATOM 0 HG3 GLN A 11 -10.714 10.576 6.186 1.00 70.23 H new ATOM 0 HE21 GLN A 11 -8.526 10.624 5.413 1.00 54.11 H new ATOM 0 HE22 GLN A 11 -8.031 11.769 4.163 1.00 54.11 H new ATOM 172 N GLU A 12 -10.368 7.407 6.769 1.00 55.45 N ATOM 173 CA GLU A 12 -9.950 7.284 8.183 1.00 54.13 C ATOM 174 C GLU A 12 -8.589 6.578 8.286 1.00 15.32 C ATOM 175 O GLU A 12 -7.763 6.921 9.138 1.00 4.14 O ATOM 176 CB GLU A 12 -11.022 6.526 8.999 1.00 14.12 C ATOM 177 CG GLU A 12 -12.458 7.040 8.782 1.00 73.31 C ATOM 178 CD GLU A 12 -12.647 8.527 9.131 1.00 25.21 C ATOM 179 OE1 GLU A 12 -12.842 9.352 8.211 1.00 73.42 O ATOM 180 OE2 GLU A 12 -12.601 8.875 10.333 1.00 4.21 O ATOM 0 H GLU A 12 -11.210 6.879 6.539 1.00 55.45 H new ATOM 0 HA GLU A 12 -9.846 8.286 8.600 1.00 54.13 H new ATOM 0 HB2 GLU A 12 -10.983 5.469 8.737 1.00 14.12 H new ATOM 0 HB3 GLU A 12 -10.777 6.601 10.058 1.00 14.12 H new ATOM 0 HG2 GLU A 12 -12.736 6.883 7.740 1.00 73.31 H new ATOM 0 HG3 GLU A 12 -13.142 6.445 9.387 1.00 73.31 H new ATOM 187 N ILE A 13 -8.365 5.619 7.368 1.00 71.42 N ATOM 188 CA ILE A 13 -7.099 4.887 7.255 1.00 24.21 C ATOM 189 C ILE A 13 -5.963 5.853 6.832 1.00 41.25 C ATOM 190 O ILE A 13 -4.861 5.821 7.396 1.00 55.02 O ATOM 191 CB ILE A 13 -7.203 3.735 6.196 1.00 1.13 C ATOM 192 CG1 ILE A 13 -8.362 2.731 6.511 1.00 22.50 C ATOM 193 CG2 ILE A 13 -5.867 2.994 6.064 1.00 64.20 C ATOM 194 CD1 ILE A 13 -8.221 1.935 7.800 1.00 63.23 C ATOM 0 H ILE A 13 -9.064 5.332 6.683 1.00 71.42 H new ATOM 0 HA ILE A 13 -6.879 4.453 8.230 1.00 24.21 H new ATOM 0 HB ILE A 13 -7.441 4.206 5.242 1.00 1.13 H new ATOM 0 HG12 ILE A 13 -9.298 3.288 6.552 1.00 22.50 H new ATOM 0 HG13 ILE A 13 -8.444 2.029 5.681 1.00 22.50 H new ATOM 0 HG21 ILE A 13 -5.963 2.199 5.324 1.00 64.20 H new ATOM 0 HG22 ILE A 13 -5.093 3.693 5.747 1.00 64.20 H new ATOM 0 HG23 ILE A 13 -5.594 2.562 7.027 1.00 64.20 H new ATOM 0 HD11 ILE A 13 -9.080 1.273 7.915 1.00 63.23 H new ATOM 0 HD12 ILE A 13 -7.308 1.341 7.763 1.00 63.23 H new ATOM 0 HD13 ILE A 13 -8.175 2.619 8.647 1.00 63.23 H new ATOM 206 N ILE A 14 -6.277 6.703 5.825 1.00 64.01 N ATOM 207 CA ILE A 14 -5.364 7.730 5.278 1.00 54.43 C ATOM 208 C ILE A 14 -4.812 8.623 6.408 1.00 12.34 C ATOM 209 O ILE A 14 -3.612 8.859 6.486 1.00 61.21 O ATOM 210 CB ILE A 14 -6.110 8.613 4.189 1.00 75.41 C ATOM 211 CG1 ILE A 14 -6.410 7.778 2.898 1.00 45.23 C ATOM 212 CG2 ILE A 14 -5.348 9.912 3.845 1.00 32.20 C ATOM 213 CD1 ILE A 14 -7.244 8.504 1.848 1.00 54.21 C ATOM 0 H ILE A 14 -7.187 6.692 5.364 1.00 64.01 H new ATOM 0 HA ILE A 14 -4.526 7.224 4.799 1.00 54.43 H new ATOM 0 HB ILE A 14 -7.058 8.918 4.633 1.00 75.41 H new ATOM 0 HG12 ILE A 14 -5.464 7.479 2.447 1.00 45.23 H new ATOM 0 HG13 ILE A 14 -6.929 6.864 3.186 1.00 45.23 H new ATOM 0 HG21 ILE A 14 -5.906 10.474 3.096 1.00 32.20 H new ATOM 0 HG22 ILE A 14 -5.237 10.518 4.744 1.00 32.20 H new ATOM 0 HG23 ILE A 14 -4.363 9.662 3.452 1.00 32.20 H new ATOM 0 HD11 ILE A 14 -7.401 7.849 0.991 1.00 54.21 H new ATOM 0 HD12 ILE A 14 -8.208 8.779 2.276 1.00 54.21 H new ATOM 0 HD13 ILE A 14 -6.720 9.404 1.526 1.00 54.21 H new ATOM 225 N GLU A 15 -5.717 9.050 7.304 1.00 63.24 N ATOM 226 CA GLU A 15 -5.403 9.985 8.402 1.00 34.05 C ATOM 227 C GLU A 15 -4.576 9.316 9.528 1.00 74.22 C ATOM 228 O GLU A 15 -3.787 9.991 10.195 1.00 54.02 O ATOM 229 CB GLU A 15 -6.723 10.588 8.938 1.00 44.41 C ATOM 230 CG GLU A 15 -7.523 11.361 7.866 1.00 53.34 C ATOM 231 CD GLU A 15 -8.867 11.894 8.377 1.00 15.15 C ATOM 232 OE1 GLU A 15 -9.845 11.125 8.390 1.00 22.45 O ATOM 233 OE2 GLU A 15 -8.951 13.078 8.783 1.00 15.33 O ATOM 0 H GLU A 15 -6.693 8.756 7.289 1.00 63.24 H new ATOM 0 HA GLU A 15 -4.773 10.785 8.012 1.00 34.05 H new ATOM 0 HB2 GLU A 15 -7.345 9.786 9.337 1.00 44.41 H new ATOM 0 HB3 GLU A 15 -6.497 11.259 9.767 1.00 44.41 H new ATOM 0 HG2 GLU A 15 -6.922 12.196 7.507 1.00 53.34 H new ATOM 0 HG3 GLU A 15 -7.701 10.706 7.013 1.00 53.34 H new ATOM 240 N GLU A 16 -4.757 7.993 9.723 1.00 2.20 N ATOM 241 CA GLU A 16 -3.975 7.205 10.712 1.00 40.14 C ATOM 242 C GLU A 16 -2.510 7.034 10.264 1.00 11.42 C ATOM 243 O GLU A 16 -1.586 7.123 11.081 1.00 0.50 O ATOM 244 CB GLU A 16 -4.617 5.813 10.930 1.00 23.41 C ATOM 245 CG GLU A 16 -5.996 5.853 11.608 1.00 52.22 C ATOM 246 CD GLU A 16 -5.968 6.345 13.067 1.00 11.40 C ATOM 247 OE1 GLU A 16 -5.452 5.617 13.939 1.00 73.33 O ATOM 248 OE2 GLU A 16 -6.491 7.439 13.353 1.00 0.12 O ATOM 0 H GLU A 16 -5.442 7.441 9.207 1.00 2.20 H new ATOM 0 HA GLU A 16 -3.986 7.758 11.651 1.00 40.14 H new ATOM 0 HB2 GLU A 16 -4.713 5.315 9.965 1.00 23.41 H new ATOM 0 HB3 GLU A 16 -3.944 5.206 11.536 1.00 23.41 H new ATOM 0 HG2 GLU A 16 -6.654 6.502 11.030 1.00 52.22 H new ATOM 0 HG3 GLU A 16 -6.431 4.854 11.582 1.00 52.22 H new ATOM 255 N VAL A 17 -2.321 6.759 8.965 1.00 21.02 N ATOM 256 CA VAL A 17 -0.989 6.599 8.349 1.00 33.42 C ATOM 257 C VAL A 17 -0.302 7.967 8.168 1.00 14.20 C ATOM 258 O VAL A 17 0.925 8.073 8.269 1.00 14.34 O ATOM 259 CB VAL A 17 -1.113 5.850 6.974 1.00 21.02 C ATOM 260 CG1 VAL A 17 0.239 5.757 6.226 1.00 63.32 C ATOM 261 CG2 VAL A 17 -1.723 4.446 7.185 1.00 71.32 C ATOM 0 H VAL A 17 -3.090 6.640 8.306 1.00 21.02 H new ATOM 0 HA VAL A 17 -0.369 5.999 9.015 1.00 33.42 H new ATOM 0 HB VAL A 17 -1.779 6.438 6.342 1.00 21.02 H new ATOM 0 HG11 VAL A 17 0.097 5.230 5.282 1.00 63.32 H new ATOM 0 HG12 VAL A 17 0.615 6.761 6.028 1.00 63.32 H new ATOM 0 HG13 VAL A 17 0.958 5.214 6.840 1.00 63.32 H new ATOM 0 HG21 VAL A 17 -1.804 3.936 6.225 1.00 71.32 H new ATOM 0 HG22 VAL A 17 -1.082 3.867 7.850 1.00 71.32 H new ATOM 0 HG23 VAL A 17 -2.714 4.543 7.629 1.00 71.32 H new ATOM 271 N SER A 18 -1.110 9.003 7.895 1.00 24.15 N ATOM 272 CA SER A 18 -0.646 10.400 7.833 1.00 31.15 C ATOM 273 C SER A 18 -0.145 10.848 9.220 1.00 63.34 C ATOM 274 O SER A 18 0.860 11.570 9.335 1.00 11.35 O ATOM 275 CB SER A 18 -1.794 11.314 7.337 1.00 73.03 C ATOM 276 OG SER A 18 -1.407 12.677 7.263 1.00 72.23 O ATOM 0 H SER A 18 -2.107 8.896 7.710 1.00 24.15 H new ATOM 0 HA SER A 18 0.182 10.476 7.129 1.00 31.15 H new ATOM 0 HB2 SER A 18 -2.123 10.979 6.353 1.00 73.03 H new ATOM 0 HB3 SER A 18 -2.647 11.217 8.008 1.00 73.03 H new ATOM 0 HG SER A 18 -2.162 13.215 6.944 1.00 72.23 H new ATOM 282 N LYS A 19 -0.846 10.385 10.276 1.00 13.22 N ATOM 283 CA LYS A 19 -0.425 10.611 11.663 1.00 45.31 C ATOM 284 C LYS A 19 0.904 9.893 11.928 1.00 74.31 C ATOM 285 O LYS A 19 1.832 10.511 12.414 1.00 35.14 O ATOM 286 CB LYS A 19 -1.500 10.139 12.674 1.00 10.31 C ATOM 287 CG LYS A 19 -1.133 10.384 14.168 1.00 31.40 C ATOM 288 CD LYS A 19 -1.023 11.877 14.542 1.00 22.11 C ATOM 289 CE LYS A 19 -2.361 12.621 14.409 1.00 55.21 C ATOM 290 NZ LYS A 19 -3.414 12.070 15.308 1.00 44.51 N ATOM 0 H LYS A 19 -1.710 9.850 10.187 1.00 13.22 H new ATOM 0 HA LYS A 19 -0.293 11.684 11.802 1.00 45.31 H new ATOM 0 HB2 LYS A 19 -2.437 10.651 12.454 1.00 10.31 H new ATOM 0 HB3 LYS A 19 -1.677 9.074 12.526 1.00 10.31 H new ATOM 0 HG2 LYS A 19 -1.887 9.915 14.800 1.00 31.40 H new ATOM 0 HG3 LYS A 19 -0.184 9.893 14.385 1.00 31.40 H new ATOM 0 HD2 LYS A 19 -0.663 11.965 15.567 1.00 22.11 H new ATOM 0 HD3 LYS A 19 -0.281 12.354 13.902 1.00 22.11 H new ATOM 0 HE2 LYS A 19 -2.210 13.676 14.636 1.00 55.21 H new ATOM 0 HE3 LYS A 19 -2.704 12.563 13.376 1.00 55.21 H new ATOM 0 HZ1 LYS A 19 -4.251 12.687 15.281 1.00 44.51 H new ATOM 0 HZ2 LYS A 19 -3.677 11.115 14.990 1.00 44.51 H new ATOM 0 HZ3 LYS A 19 -3.050 12.023 16.281 1.00 44.51 H new ATOM 304 N LYS A 20 0.982 8.593 11.545 1.00 11.10 N ATOM 305 CA LYS A 20 2.201 7.763 11.697 1.00 14.33 C ATOM 306 C LYS A 20 3.413 8.424 11.008 1.00 13.13 C ATOM 307 O LYS A 20 4.541 8.386 11.522 1.00 40.41 O ATOM 308 CB LYS A 20 1.953 6.347 11.101 1.00 14.14 C ATOM 309 CG LYS A 20 3.140 5.334 11.180 1.00 71.03 C ATOM 310 CD LYS A 20 3.255 4.561 12.527 1.00 34.45 C ATOM 311 CE LYS A 20 3.704 5.416 13.721 1.00 0.01 C ATOM 312 NZ LYS A 20 3.925 4.583 14.931 1.00 21.33 N ATOM 0 H LYS A 20 0.200 8.092 11.122 1.00 11.10 H new ATOM 0 HA LYS A 20 2.425 7.674 12.760 1.00 14.33 H new ATOM 0 HB2 LYS A 20 1.096 5.908 11.613 1.00 14.14 H new ATOM 0 HB3 LYS A 20 1.674 6.463 10.054 1.00 14.14 H new ATOM 0 HG2 LYS A 20 3.036 4.611 10.371 1.00 71.03 H new ATOM 0 HG3 LYS A 20 4.071 5.874 11.007 1.00 71.03 H new ATOM 0 HD2 LYS A 20 2.287 4.117 12.759 1.00 34.45 H new ATOM 0 HD3 LYS A 20 3.960 3.740 12.400 1.00 34.45 H new ATOM 0 HE2 LYS A 20 4.624 5.943 13.467 1.00 0.01 H new ATOM 0 HE3 LYS A 20 2.950 6.174 13.932 1.00 0.01 H new ATOM 0 HZ1 LYS A 20 3.909 5.188 15.777 1.00 21.33 H new ATOM 0 HZ2 LYS A 20 3.173 3.868 15.002 1.00 21.33 H new ATOM 0 HZ3 LYS A 20 4.848 4.109 14.862 1.00 21.33 H new ATOM 326 N ALA A 21 3.138 9.043 9.848 1.00 74.00 N ATOM 327 CA ALA A 21 4.124 9.813 9.088 1.00 70.22 C ATOM 328 C ALA A 21 4.675 10.980 9.921 1.00 32.34 C ATOM 329 O ALA A 21 5.887 11.163 9.999 1.00 65.43 O ATOM 330 CB ALA A 21 3.499 10.327 7.788 1.00 31.24 C ATOM 0 H ALA A 21 2.216 9.020 9.412 1.00 74.00 H new ATOM 0 HA ALA A 21 4.958 9.156 8.843 1.00 70.22 H new ATOM 0 HB1 ALA A 21 4.240 10.899 7.229 1.00 31.24 H new ATOM 0 HB2 ALA A 21 3.164 9.482 7.187 1.00 31.24 H new ATOM 0 HB3 ALA A 21 2.648 10.967 8.022 1.00 31.24 H new ATOM 336 N GLU A 22 3.768 11.740 10.560 1.00 14.51 N ATOM 337 CA GLU A 22 4.143 12.895 11.401 1.00 31.52 C ATOM 338 C GLU A 22 4.939 12.445 12.648 1.00 13.11 C ATOM 339 O GLU A 22 5.984 13.030 12.964 1.00 65.41 O ATOM 340 CB GLU A 22 2.878 13.701 11.805 1.00 42.31 C ATOM 341 CG GLU A 22 3.180 14.959 12.647 1.00 22.04 C ATOM 342 CD GLU A 22 1.930 15.770 13.025 1.00 2.42 C ATOM 343 OE1 GLU A 22 1.578 16.723 12.306 1.00 34.01 O ATOM 344 OE2 GLU A 22 1.308 15.477 14.061 1.00 61.21 O ATOM 0 H GLU A 22 2.763 11.575 10.510 1.00 14.51 H new ATOM 0 HA GLU A 22 4.793 13.546 10.817 1.00 31.52 H new ATOM 0 HB2 GLU A 22 2.346 14.000 10.902 1.00 42.31 H new ATOM 0 HB3 GLU A 22 2.209 13.050 12.369 1.00 42.31 H new ATOM 0 HG2 GLU A 22 3.696 14.659 13.559 1.00 22.04 H new ATOM 0 HG3 GLU A 22 3.863 15.601 12.091 1.00 22.04 H new ATOM 351 N GLU A 23 4.442 11.395 13.326 1.00 45.43 N ATOM 352 CA GLU A 23 5.052 10.849 14.556 1.00 24.22 C ATOM 353 C GLU A 23 6.524 10.445 14.350 1.00 74.52 C ATOM 354 O GLU A 23 7.388 10.779 15.170 1.00 33.12 O ATOM 355 CB GLU A 23 4.256 9.618 15.077 1.00 72.24 C ATOM 356 CG GLU A 23 2.747 9.838 15.328 1.00 42.40 C ATOM 357 CD GLU A 23 2.409 10.959 16.331 1.00 21.21 C ATOM 358 OE1 GLU A 23 2.251 10.660 17.537 1.00 22.15 O ATOM 359 OE2 GLU A 23 2.278 12.134 15.921 1.00 2.44 O ATOM 0 H GLU A 23 3.601 10.897 13.036 1.00 45.43 H new ATOM 0 HA GLU A 23 5.016 11.650 15.295 1.00 24.22 H new ATOM 0 HB2 GLU A 23 4.369 8.807 14.357 1.00 72.24 H new ATOM 0 HB3 GLU A 23 4.713 9.284 16.008 1.00 72.24 H new ATOM 0 HG2 GLU A 23 2.265 10.065 14.377 1.00 42.40 H new ATOM 0 HG3 GLU A 23 2.315 8.905 15.690 1.00 42.40 H new ATOM 366 N GLU A 24 6.795 9.712 13.256 1.00 53.32 N ATOM 367 CA GLU A 24 8.131 9.151 12.983 1.00 62.13 C ATOM 368 C GLU A 24 8.992 10.071 12.095 1.00 21.43 C ATOM 369 O GLU A 24 10.206 9.866 11.993 1.00 70.20 O ATOM 370 CB GLU A 24 7.984 7.769 12.325 1.00 51.13 C ATOM 371 CG GLU A 24 7.155 6.750 13.133 1.00 1.41 C ATOM 372 CD GLU A 24 7.675 6.537 14.565 1.00 71.13 C ATOM 373 OE1 GLU A 24 6.953 6.849 15.537 1.00 4.32 O ATOM 374 OE2 GLU A 24 8.818 6.052 14.719 1.00 25.32 O ATOM 0 H GLU A 24 6.101 9.493 12.541 1.00 53.32 H new ATOM 0 HA GLU A 24 8.648 9.059 13.938 1.00 62.13 H new ATOM 0 HB2 GLU A 24 7.522 7.896 11.346 1.00 51.13 H new ATOM 0 HB3 GLU A 24 8.978 7.355 12.157 1.00 51.13 H new ATOM 0 HG2 GLU A 24 6.120 7.089 13.177 1.00 1.41 H new ATOM 0 HG3 GLU A 24 7.156 5.795 12.608 1.00 1.41 H new ATOM 381 N GLY A 25 8.370 11.069 11.456 1.00 53.03 N ATOM 382 CA GLY A 25 9.085 11.982 10.550 1.00 2.35 C ATOM 383 C GLY A 25 9.289 11.402 9.148 1.00 71.20 C ATOM 384 O GLY A 25 10.296 11.685 8.491 1.00 23.32 O ATOM 0 H GLY A 25 7.374 11.267 11.548 1.00 53.03 H new ATOM 0 HA2 GLY A 25 8.529 12.916 10.472 1.00 2.35 H new ATOM 0 HA3 GLY A 25 10.056 12.224 10.981 1.00 2.35 H new ATOM 388 N TYR A 26 8.325 10.580 8.704 1.00 64.45 N ATOM 389 CA TYR A 26 8.290 9.998 7.350 1.00 61.21 C ATOM 390 C TYR A 26 7.546 10.947 6.382 1.00 21.31 C ATOM 391 O TYR A 26 6.460 11.431 6.719 1.00 10.51 O ATOM 392 CB TYR A 26 7.521 8.651 7.366 1.00 43.33 C ATOM 393 CG TYR A 26 8.083 7.510 8.225 1.00 71.12 C ATOM 394 CD1 TYR A 26 9.456 7.262 8.323 1.00 24.02 C ATOM 395 CD2 TYR A 26 7.217 6.614 8.874 1.00 50.20 C ATOM 396 CE1 TYR A 26 9.940 6.174 9.029 1.00 70.04 C ATOM 397 CE2 TYR A 26 7.699 5.534 9.587 1.00 5.53 C ATOM 398 CZ TYR A 26 9.059 5.317 9.661 1.00 55.21 C ATOM 399 OH TYR A 26 9.537 4.229 10.350 1.00 0.24 O ATOM 0 H TYR A 26 7.535 10.296 9.283 1.00 64.45 H new ATOM 0 HA TYR A 26 9.319 9.847 7.023 1.00 61.21 H new ATOM 0 HB2 TYR A 26 6.504 8.851 7.702 1.00 43.33 H new ATOM 0 HB3 TYR A 26 7.453 8.293 6.339 1.00 43.33 H new ATOM 0 HD1 TYR A 26 10.151 7.932 7.839 1.00 24.02 H new ATOM 0 HD2 TYR A 26 6.151 6.773 8.814 1.00 50.20 H new ATOM 0 HE1 TYR A 26 11.004 5.995 9.086 1.00 70.04 H new ATOM 0 HE2 TYR A 26 7.014 4.863 10.084 1.00 5.53 H new ATOM 0 HH TYR A 26 9.407 4.368 11.311 1.00 0.24 H new ATOM 409 N ASP A 27 8.109 11.194 5.182 1.00 21.54 N ATOM 410 CA ASP A 27 7.376 11.889 4.100 1.00 71.22 C ATOM 411 C ASP A 27 6.527 10.852 3.324 1.00 43.34 C ATOM 412 O ASP A 27 6.999 10.173 2.405 1.00 62.30 O ATOM 413 CB ASP A 27 8.329 12.706 3.162 1.00 1.42 C ATOM 414 CG ASP A 27 9.350 11.866 2.362 1.00 24.25 C ATOM 415 OD1 ASP A 27 10.310 11.352 2.971 1.00 22.12 O ATOM 416 OD2 ASP A 27 9.199 11.723 1.120 1.00 34.24 O ATOM 0 H ASP A 27 9.062 10.925 4.937 1.00 21.54 H new ATOM 0 HA ASP A 27 6.710 12.630 4.542 1.00 71.22 H new ATOM 0 HB2 ASP A 27 7.720 13.273 2.458 1.00 1.42 H new ATOM 0 HB3 ASP A 27 8.874 13.430 3.768 1.00 1.42 H new ATOM 421 N ILE A 28 5.272 10.675 3.766 1.00 21.12 N ATOM 422 CA ILE A 28 4.322 9.738 3.143 1.00 15.44 C ATOM 423 C ILE A 28 3.199 10.536 2.471 1.00 32.12 C ATOM 424 O ILE A 28 2.319 11.075 3.151 1.00 71.20 O ATOM 425 CB ILE A 28 3.708 8.735 4.193 1.00 11.11 C ATOM 426 CG1 ILE A 28 4.826 8.022 5.015 1.00 15.41 C ATOM 427 CG2 ILE A 28 2.803 7.700 3.495 1.00 14.31 C ATOM 428 CD1 ILE A 28 4.317 7.089 6.104 1.00 51.44 C ATOM 0 H ILE A 28 4.887 11.177 4.566 1.00 21.12 H new ATOM 0 HA ILE A 28 4.863 9.147 2.404 1.00 15.44 H new ATOM 0 HB ILE A 28 3.098 9.313 4.888 1.00 11.11 H new ATOM 0 HG12 ILE A 28 5.454 7.451 4.330 1.00 15.41 H new ATOM 0 HG13 ILE A 28 5.461 8.780 5.473 1.00 15.41 H new ATOM 0 HG21 ILE A 28 2.390 7.018 4.238 1.00 14.31 H new ATOM 0 HG22 ILE A 28 1.990 8.214 2.983 1.00 14.31 H new ATOM 0 HG23 ILE A 28 3.389 7.135 2.770 1.00 14.31 H new ATOM 0 HD11 ILE A 28 5.164 6.639 6.622 1.00 51.44 H new ATOM 0 HD12 ILE A 28 3.715 7.654 6.815 1.00 51.44 H new ATOM 0 HD13 ILE A 28 3.707 6.305 5.655 1.00 51.44 H new ATOM 440 N GLN A 29 3.253 10.637 1.138 1.00 5.40 N ATOM 441 CA GLN A 29 2.218 11.310 0.354 1.00 72.02 C ATOM 442 C GLN A 29 0.991 10.388 0.256 1.00 31.12 C ATOM 443 O GLN A 29 1.056 9.331 -0.357 1.00 75.22 O ATOM 444 CB GLN A 29 2.764 11.677 -1.049 1.00 35.04 C ATOM 445 CG GLN A 29 1.765 12.417 -1.963 1.00 33.52 C ATOM 446 CD GLN A 29 1.228 13.717 -1.354 1.00 71.24 C ATOM 447 OE1 GLN A 29 0.204 13.730 -0.662 1.00 12.13 O ATOM 448 NE2 GLN A 29 1.911 14.815 -1.609 1.00 43.23 N ATOM 0 H GLN A 29 4.014 10.255 0.576 1.00 5.40 H new ATOM 0 HA GLN A 29 1.922 12.238 0.843 1.00 72.02 H new ATOM 0 HB2 GLN A 29 3.651 12.299 -0.926 1.00 35.04 H new ATOM 0 HB3 GLN A 29 3.083 10.763 -1.549 1.00 35.04 H new ATOM 0 HG2 GLN A 29 2.251 12.643 -2.912 1.00 33.52 H new ATOM 0 HG3 GLN A 29 0.928 11.755 -2.184 1.00 33.52 H new ATOM 0 HE21 GLN A 29 2.752 14.770 -2.184 1.00 43.23 H new ATOM 0 HE22 GLN A 29 1.598 15.709 -1.231 1.00 43.23 H new ATOM 457 N THR A 30 -0.114 10.785 0.881 1.00 1.12 N ATOM 458 CA THR A 30 -1.331 9.960 0.959 1.00 64.34 C ATOM 459 C THR A 30 -2.340 10.391 -0.125 1.00 0.25 C ATOM 460 O THR A 30 -2.352 11.559 -0.528 1.00 24.44 O ATOM 461 CB THR A 30 -1.983 10.084 2.370 1.00 42.52 C ATOM 462 OG1 THR A 30 -2.246 11.466 2.657 1.00 31.31 O ATOM 463 CG2 THR A 30 -1.092 9.495 3.485 1.00 21.14 C ATOM 0 H THR A 30 -0.198 11.687 1.350 1.00 1.12 H new ATOM 0 HA THR A 30 -1.053 8.920 0.790 1.00 64.34 H new ATOM 0 HB THR A 30 -2.910 9.511 2.350 1.00 42.52 H new ATOM 0 HG1 THR A 30 -2.657 11.544 3.543 1.00 31.31 H new ATOM 0 HG21 THR A 30 -1.592 9.607 4.447 1.00 21.14 H new ATOM 0 HG22 THR A 30 -0.915 8.438 3.289 1.00 21.14 H new ATOM 0 HG23 THR A 30 -0.140 10.024 3.507 1.00 21.14 H new ATOM 471 N SER A 31 -3.160 9.436 -0.600 1.00 4.43 N ATOM 472 CA SER A 31 -4.218 9.694 -1.600 1.00 71.32 C ATOM 473 C SER A 31 -5.339 8.651 -1.476 1.00 4.13 C ATOM 474 O SER A 31 -5.161 7.584 -0.864 1.00 44.25 O ATOM 475 CB SER A 31 -3.621 9.687 -3.036 1.00 53.42 C ATOM 476 OG SER A 31 -4.591 9.995 -4.034 1.00 40.44 O ATOM 0 H SER A 31 -3.109 8.462 -0.302 1.00 4.43 H new ATOM 0 HA SER A 31 -4.643 10.680 -1.409 1.00 71.32 H new ATOM 0 HB2 SER A 31 -2.807 10.410 -3.091 1.00 53.42 H new ATOM 0 HB3 SER A 31 -3.191 8.707 -3.242 1.00 53.42 H new ATOM 0 HG SER A 31 -4.164 10.494 -4.762 1.00 40.44 H new ATOM 482 N ASN A 32 -6.500 8.986 -2.060 1.00 2.50 N ATOM 483 CA ASN A 32 -7.674 8.098 -2.136 1.00 61.40 C ATOM 484 C ASN A 32 -7.831 7.545 -3.566 1.00 40.12 C ATOM 485 O ASN A 32 -8.317 6.421 -3.764 1.00 61.01 O ATOM 486 CB ASN A 32 -8.957 8.867 -1.706 1.00 2.50 C ATOM 487 CG ASN A 32 -10.252 8.027 -1.714 1.00 60.04 C ATOM 488 OD1 ASN A 32 -11.330 8.535 -2.029 1.00 53.30 O ATOM 489 ND2 ASN A 32 -10.177 6.754 -1.340 1.00 64.01 N ATOM 0 H ASN A 32 -6.653 9.894 -2.499 1.00 2.50 H new ATOM 0 HA ASN A 32 -7.527 7.260 -1.455 1.00 61.40 H new ATOM 0 HB2 ASN A 32 -8.805 9.265 -0.702 1.00 2.50 H new ATOM 0 HB3 ASN A 32 -9.091 9.721 -2.370 1.00 2.50 H new ATOM 0 HD21 ASN A 32 -11.020 6.181 -1.310 1.00 64.01 H new ATOM 0 HD22 ASN A 32 -9.276 6.350 -1.083 1.00 64.01 H new ATOM 496 N ASP A 33 -7.391 8.340 -4.562 1.00 65.34 N ATOM 497 CA ASP A 33 -7.584 8.024 -5.987 1.00 51.33 C ATOM 498 C ASP A 33 -6.447 7.118 -6.487 1.00 54.44 C ATOM 499 O ASP A 33 -5.311 7.568 -6.703 1.00 53.00 O ATOM 500 CB ASP A 33 -7.685 9.317 -6.833 1.00 54.13 C ATOM 501 CG ASP A 33 -8.035 9.028 -8.303 1.00 62.02 C ATOM 502 OD1 ASP A 33 -7.130 9.024 -9.159 1.00 33.24 O ATOM 503 OD2 ASP A 33 -9.224 8.783 -8.604 1.00 5.14 O ATOM 0 H ASP A 33 -6.894 9.216 -4.400 1.00 65.34 H new ATOM 0 HA ASP A 33 -8.525 7.486 -6.100 1.00 51.33 H new ATOM 0 HB2 ASP A 33 -8.444 9.971 -6.403 1.00 54.13 H new ATOM 0 HB3 ASP A 33 -6.738 9.854 -6.786 1.00 54.13 H new ATOM 508 N LYS A 34 -6.783 5.830 -6.645 1.00 44.51 N ATOM 509 CA LYS A 34 -5.861 4.772 -7.092 1.00 63.43 C ATOM 510 C LYS A 34 -5.348 5.005 -8.528 1.00 20.51 C ATOM 511 O LYS A 34 -4.243 4.586 -8.858 1.00 71.25 O ATOM 512 CB LYS A 34 -6.582 3.401 -6.978 1.00 45.21 C ATOM 513 CG LYS A 34 -7.814 3.255 -7.908 1.00 52.14 C ATOM 514 CD LYS A 34 -8.804 2.153 -7.471 1.00 0.24 C ATOM 515 CE LYS A 34 -9.437 2.419 -6.092 1.00 53.22 C ATOM 516 NZ LYS A 34 -10.492 1.414 -5.762 1.00 63.25 N ATOM 0 H LYS A 34 -7.725 5.485 -6.462 1.00 44.51 H new ATOM 0 HA LYS A 34 -4.981 4.787 -6.449 1.00 63.43 H new ATOM 0 HB2 LYS A 34 -5.870 2.608 -7.208 1.00 45.21 H new ATOM 0 HB3 LYS A 34 -6.900 3.254 -5.946 1.00 45.21 H new ATOM 0 HG2 LYS A 34 -8.341 4.208 -7.947 1.00 52.14 H new ATOM 0 HG3 LYS A 34 -7.469 3.039 -8.919 1.00 52.14 H new ATOM 0 HD2 LYS A 34 -9.595 2.067 -8.216 1.00 0.24 H new ATOM 0 HD3 LYS A 34 -8.284 1.195 -7.446 1.00 0.24 H new ATOM 0 HE2 LYS A 34 -8.662 2.397 -5.326 1.00 53.22 H new ATOM 0 HE3 LYS A 34 -9.871 3.419 -6.078 1.00 53.22 H new ATOM 0 HZ1 LYS A 34 -11.431 1.848 -5.870 1.00 63.25 H new ATOM 0 HZ2 LYS A 34 -10.411 0.601 -6.406 1.00 63.25 H new ATOM 0 HZ3 LYS A 34 -10.370 1.092 -4.781 1.00 63.25 H new ATOM 530 N LYS A 35 -6.153 5.703 -9.355 1.00 21.23 N ATOM 531 CA LYS A 35 -5.851 5.924 -10.787 1.00 70.15 C ATOM 532 C LYS A 35 -4.634 6.854 -10.961 1.00 34.33 C ATOM 533 O LYS A 35 -3.763 6.615 -11.810 1.00 12.41 O ATOM 534 CB LYS A 35 -7.088 6.523 -11.500 1.00 22.31 C ATOM 535 CG LYS A 35 -8.361 5.652 -11.412 1.00 70.11 C ATOM 536 CD LYS A 35 -8.192 4.267 -12.079 1.00 54.42 C ATOM 537 CE LYS A 35 -7.936 4.349 -13.596 1.00 72.21 C ATOM 538 NZ LYS A 35 -9.062 4.968 -14.338 1.00 3.34 N ATOM 0 H LYS A 35 -7.029 6.129 -9.051 1.00 21.23 H new ATOM 0 HA LYS A 35 -5.607 4.962 -11.238 1.00 70.15 H new ATOM 0 HB2 LYS A 35 -7.302 7.501 -11.069 1.00 22.31 H new ATOM 0 HB3 LYS A 35 -6.844 6.683 -12.550 1.00 22.31 H new ATOM 0 HG2 LYS A 35 -8.629 5.515 -10.364 1.00 70.11 H new ATOM 0 HG3 LYS A 35 -9.189 6.179 -11.886 1.00 70.11 H new ATOM 0 HD2 LYS A 35 -7.362 3.742 -11.605 1.00 54.42 H new ATOM 0 HD3 LYS A 35 -9.089 3.673 -11.900 1.00 54.42 H new ATOM 0 HE2 LYS A 35 -7.028 4.925 -13.776 1.00 72.21 H new ATOM 0 HE3 LYS A 35 -7.759 3.346 -13.984 1.00 72.21 H new ATOM 0 HZ1 LYS A 35 -8.857 4.951 -15.357 1.00 3.34 H new ATOM 0 HZ2 LYS A 35 -9.935 4.435 -14.151 1.00 3.34 H new ATOM 0 HZ3 LYS A 35 -9.184 5.953 -14.026 1.00 3.34 H new ATOM 552 N GLU A 36 -4.592 7.900 -10.122 1.00 72.01 N ATOM 553 CA GLU A 36 -3.503 8.883 -10.077 1.00 70.11 C ATOM 554 C GLU A 36 -2.193 8.194 -9.670 1.00 45.32 C ATOM 555 O GLU A 36 -1.136 8.431 -10.264 1.00 12.35 O ATOM 556 CB GLU A 36 -3.864 9.998 -9.061 1.00 14.32 C ATOM 557 CG GLU A 36 -2.765 11.042 -8.828 1.00 72.20 C ATOM 558 CD GLU A 36 -3.101 12.010 -7.690 1.00 43.51 C ATOM 559 OE1 GLU A 36 -3.428 13.191 -7.954 1.00 65.32 O ATOM 560 OE2 GLU A 36 -3.034 11.584 -6.516 1.00 63.25 O ATOM 0 H GLU A 36 -5.329 8.088 -9.443 1.00 72.01 H new ATOM 0 HA GLU A 36 -3.368 9.326 -11.064 1.00 70.11 H new ATOM 0 HB2 GLU A 36 -4.762 10.509 -9.409 1.00 14.32 H new ATOM 0 HB3 GLU A 36 -4.111 9.533 -8.107 1.00 14.32 H new ATOM 0 HG2 GLU A 36 -1.828 10.533 -8.602 1.00 72.20 H new ATOM 0 HG3 GLU A 36 -2.607 11.608 -9.746 1.00 72.20 H new ATOM 567 N ILE A 37 -2.311 7.314 -8.669 1.00 44.32 N ATOM 568 CA ILE A 37 -1.186 6.575 -8.097 1.00 11.34 C ATOM 569 C ILE A 37 -0.616 5.557 -9.110 1.00 61.23 C ATOM 570 O ILE A 37 0.603 5.383 -9.188 1.00 21.43 O ATOM 571 CB ILE A 37 -1.638 5.878 -6.766 1.00 53.43 C ATOM 572 CG1 ILE A 37 -2.181 6.938 -5.750 1.00 64.11 C ATOM 573 CG2 ILE A 37 -0.502 5.053 -6.140 1.00 4.40 C ATOM 574 CD1 ILE A 37 -1.217 8.078 -5.426 1.00 11.23 C ATOM 0 H ILE A 37 -3.205 7.094 -8.229 1.00 44.32 H new ATOM 0 HA ILE A 37 -0.382 7.273 -7.865 1.00 11.34 H new ATOM 0 HB ILE A 37 -2.443 5.186 -7.012 1.00 53.43 H new ATOM 0 HG12 ILE A 37 -3.101 7.364 -6.150 1.00 64.11 H new ATOM 0 HG13 ILE A 37 -2.442 6.429 -4.822 1.00 64.11 H new ATOM 0 HG21 ILE A 37 -0.855 4.587 -5.220 1.00 4.40 H new ATOM 0 HG22 ILE A 37 -0.185 4.280 -6.840 1.00 4.40 H new ATOM 0 HG23 ILE A 37 0.341 5.706 -5.915 1.00 4.40 H new ATOM 0 HD11 ILE A 37 -1.685 8.759 -4.715 1.00 11.23 H new ATOM 0 HD12 ILE A 37 -0.304 7.670 -4.992 1.00 11.23 H new ATOM 0 HD13 ILE A 37 -0.974 8.620 -6.340 1.00 11.23 H new ATOM 586 N ILE A 38 -1.510 4.923 -9.900 1.00 51.22 N ATOM 587 CA ILE A 38 -1.121 4.041 -11.023 1.00 41.52 C ATOM 588 C ILE A 38 -0.217 4.812 -12.008 1.00 71.44 C ATOM 589 O ILE A 38 0.829 4.304 -12.429 1.00 75.11 O ATOM 590 CB ILE A 38 -2.388 3.458 -11.778 1.00 24.20 C ATOM 591 CG1 ILE A 38 -3.122 2.400 -10.889 1.00 31.13 C ATOM 592 CG2 ILE A 38 -2.031 2.862 -13.167 1.00 1.24 C ATOM 593 CD1 ILE A 38 -4.421 1.869 -11.476 1.00 11.41 C ATOM 0 H ILE A 38 -2.519 5.008 -9.778 1.00 51.22 H new ATOM 0 HA ILE A 38 -0.569 3.197 -10.611 1.00 41.52 H new ATOM 0 HB ILE A 38 -3.064 4.294 -11.959 1.00 24.20 H new ATOM 0 HG12 ILE A 38 -2.448 1.561 -10.715 1.00 31.13 H new ATOM 0 HG13 ILE A 38 -3.334 2.846 -9.917 1.00 31.13 H new ATOM 0 HG21 ILE A 38 -2.934 2.477 -13.641 1.00 1.24 H new ATOM 0 HG22 ILE A 38 -1.595 3.639 -13.795 1.00 1.24 H new ATOM 0 HG23 ILE A 38 -1.313 2.051 -13.041 1.00 1.24 H new ATOM 0 HD11 ILE A 38 -4.859 1.142 -10.792 1.00 11.41 H new ATOM 0 HD12 ILE A 38 -5.118 2.694 -11.624 1.00 11.41 H new ATOM 0 HD13 ILE A 38 -4.218 1.390 -12.434 1.00 11.41 H new ATOM 605 N ASP A 39 -0.622 6.062 -12.319 1.00 12.42 N ATOM 606 CA ASP A 39 0.109 6.931 -13.257 1.00 30.12 C ATOM 607 C ASP A 39 1.487 7.338 -12.693 1.00 64.04 C ATOM 608 O ASP A 39 2.447 7.474 -13.446 1.00 21.32 O ATOM 609 CB ASP A 39 -0.723 8.181 -13.638 1.00 0.55 C ATOM 610 CG ASP A 39 -0.031 9.030 -14.722 1.00 61.03 C ATOM 611 OD1 ASP A 39 0.155 8.520 -15.852 1.00 5.23 O ATOM 612 OD2 ASP A 39 0.336 10.196 -14.459 1.00 54.30 O ATOM 0 H ASP A 39 -1.460 6.492 -11.928 1.00 12.42 H new ATOM 0 HA ASP A 39 0.278 6.353 -14.166 1.00 30.12 H new ATOM 0 HB2 ASP A 39 -1.704 7.868 -13.995 1.00 0.55 H new ATOM 0 HB3 ASP A 39 -0.887 8.791 -12.750 1.00 0.55 H new ATOM 617 N ARG A 40 1.579 7.497 -11.365 1.00 71.03 N ATOM 618 CA ARG A 40 2.853 7.829 -10.693 1.00 75.25 C ATOM 619 C ARG A 40 3.822 6.626 -10.708 1.00 33.24 C ATOM 620 O ARG A 40 5.042 6.802 -10.794 1.00 30.41 O ATOM 621 CB ARG A 40 2.604 8.298 -9.246 1.00 70.55 C ATOM 622 CG ARG A 40 1.726 9.561 -9.126 1.00 71.15 C ATOM 623 CD ARG A 40 1.793 10.175 -7.721 1.00 53.20 C ATOM 624 NE ARG A 40 3.177 10.539 -7.353 1.00 74.44 N ATOM 625 CZ ARG A 40 3.586 10.950 -6.143 1.00 1.11 C ATOM 626 NH1 ARG A 40 2.734 11.072 -5.124 1.00 44.35 N ATOM 627 NH2 ARG A 40 4.864 11.229 -5.952 1.00 15.00 N ATOM 0 H ARG A 40 0.787 7.402 -10.730 1.00 71.03 H new ATOM 0 HA ARG A 40 3.316 8.646 -11.247 1.00 75.25 H new ATOM 0 HB2 ARG A 40 2.131 7.488 -8.691 1.00 70.55 H new ATOM 0 HB3 ARG A 40 3.565 8.492 -8.770 1.00 70.55 H new ATOM 0 HG2 ARG A 40 2.050 10.299 -9.860 1.00 71.15 H new ATOM 0 HG3 ARG A 40 0.692 9.308 -9.362 1.00 71.15 H new ATOM 0 HD2 ARG A 40 1.160 11.061 -7.680 1.00 53.20 H new ATOM 0 HD3 ARG A 40 1.397 9.466 -6.994 1.00 53.20 H new ATOM 0 HE ARG A 40 3.885 10.472 -8.084 1.00 74.44 H new ATOM 0 HH11 ARG A 40 1.747 10.851 -5.255 1.00 44.35 H new ATOM 0 HH12 ARG A 40 3.070 11.386 -4.214 1.00 44.35 H new ATOM 0 HH21 ARG A 40 5.528 11.131 -6.720 1.00 15.00 H new ATOM 0 HH22 ARG A 40 5.186 11.542 -5.036 1.00 15.00 H new ATOM 641 N LEU A 41 3.258 5.413 -10.611 1.00 21.03 N ATOM 642 CA LEU A 41 4.012 4.152 -10.769 1.00 41.22 C ATOM 643 C LEU A 41 4.487 3.987 -12.228 1.00 31.21 C ATOM 644 O LEU A 41 5.562 3.424 -12.483 1.00 70.15 O ATOM 645 CB LEU A 41 3.124 2.956 -10.331 1.00 43.14 C ATOM 646 CG LEU A 41 2.700 2.943 -8.827 1.00 70.42 C ATOM 647 CD1 LEU A 41 1.608 1.883 -8.563 1.00 1.31 C ATOM 648 CD2 LEU A 41 3.924 2.730 -7.908 1.00 23.33 C ATOM 0 H LEU A 41 2.266 5.274 -10.421 1.00 21.03 H new ATOM 0 HA LEU A 41 4.897 4.179 -10.133 1.00 41.22 H new ATOM 0 HB2 LEU A 41 2.223 2.953 -10.944 1.00 43.14 H new ATOM 0 HB3 LEU A 41 3.659 2.031 -10.547 1.00 43.14 H new ATOM 0 HG LEU A 41 2.274 3.918 -8.592 1.00 70.42 H new ATOM 0 HD11 LEU A 41 1.334 1.898 -7.508 1.00 1.31 H new ATOM 0 HD12 LEU A 41 0.730 2.106 -9.169 1.00 1.31 H new ATOM 0 HD13 LEU A 41 1.988 0.896 -8.825 1.00 1.31 H new ATOM 0 HD21 LEU A 41 3.601 2.725 -6.867 1.00 23.33 H new ATOM 0 HD22 LEU A 41 4.396 1.777 -8.146 1.00 23.33 H new ATOM 0 HD23 LEU A 41 4.640 3.538 -8.062 1.00 23.33 H new ATOM 660 N LYS A 42 3.672 4.503 -13.176 1.00 34.23 N ATOM 661 CA LYS A 42 4.022 4.578 -14.614 1.00 20.34 C ATOM 662 C LYS A 42 5.209 5.551 -14.846 1.00 4.24 C ATOM 663 O LYS A 42 5.998 5.370 -15.779 1.00 70.00 O ATOM 664 CB LYS A 42 2.780 5.012 -15.450 1.00 42.11 C ATOM 665 CG LYS A 42 1.662 3.947 -15.551 1.00 43.04 C ATOM 666 CD LYS A 42 0.322 4.469 -16.149 1.00 13.05 C ATOM 667 CE LYS A 42 0.406 4.972 -17.610 1.00 63.43 C ATOM 668 NZ LYS A 42 1.025 6.324 -17.740 1.00 23.44 N ATOM 0 H LYS A 42 2.749 4.881 -12.965 1.00 34.23 H new ATOM 0 HA LYS A 42 4.333 3.587 -14.944 1.00 20.34 H new ATOM 0 HB2 LYS A 42 2.362 5.917 -15.010 1.00 42.11 H new ATOM 0 HB3 LYS A 42 3.109 5.270 -16.457 1.00 42.11 H new ATOM 0 HG2 LYS A 42 2.020 3.120 -16.164 1.00 43.04 H new ATOM 0 HG3 LYS A 42 1.469 3.546 -14.556 1.00 43.04 H new ATOM 0 HD2 LYS A 42 -0.416 3.669 -16.099 1.00 13.05 H new ATOM 0 HD3 LYS A 42 -0.045 5.281 -15.522 1.00 13.05 H new ATOM 0 HE2 LYS A 42 0.983 4.259 -18.199 1.00 63.43 H new ATOM 0 HE3 LYS A 42 -0.597 4.998 -18.035 1.00 63.43 H new ATOM 0 HZ1 LYS A 42 0.542 6.856 -18.492 1.00 23.44 H new ATOM 0 HZ2 LYS A 42 0.933 6.836 -16.839 1.00 23.44 H new ATOM 0 HZ3 LYS A 42 2.032 6.223 -17.980 1.00 23.44 H new ATOM 682 N ARG A 43 5.317 6.587 -13.990 1.00 45.34 N ATOM 683 CA ARG A 43 6.464 7.529 -13.992 1.00 0.04 C ATOM 684 C ARG A 43 7.670 6.925 -13.240 1.00 41.01 C ATOM 685 O ARG A 43 8.788 7.446 -13.334 1.00 32.35 O ATOM 686 CB ARG A 43 6.060 8.883 -13.331 1.00 22.14 C ATOM 687 CG ARG A 43 4.796 9.533 -13.941 1.00 71.21 C ATOM 688 CD ARG A 43 4.355 10.799 -13.195 1.00 1.11 C ATOM 689 NE ARG A 43 3.049 11.301 -13.656 1.00 70.12 N ATOM 690 CZ ARG A 43 2.555 12.521 -13.396 1.00 14.23 C ATOM 691 NH1 ARG A 43 3.236 13.405 -12.673 1.00 11.20 N ATOM 692 NH2 ARG A 43 1.353 12.843 -13.842 1.00 44.11 N ATOM 0 H ARG A 43 4.617 6.797 -13.279 1.00 45.34 H new ATOM 0 HA ARG A 43 6.749 7.708 -15.029 1.00 0.04 H new ATOM 0 HB2 ARG A 43 5.893 8.719 -12.266 1.00 22.14 H new ATOM 0 HB3 ARG A 43 6.893 9.581 -13.420 1.00 22.14 H new ATOM 0 HG2 ARG A 43 4.989 9.781 -14.985 1.00 71.21 H new ATOM 0 HG3 ARG A 43 3.981 8.809 -13.931 1.00 71.21 H new ATOM 0 HD2 ARG A 43 4.303 10.587 -12.127 1.00 1.11 H new ATOM 0 HD3 ARG A 43 5.107 11.576 -13.329 1.00 1.11 H new ATOM 0 HE ARG A 43 2.475 10.671 -14.217 1.00 70.12 H new ATOM 0 HH11 ARG A 43 4.155 13.162 -12.303 1.00 11.20 H new ATOM 0 HH12 ARG A 43 2.840 14.327 -12.489 1.00 11.20 H new ATOM 0 HH21 ARG A 43 0.810 12.166 -14.378 1.00 44.11 H new ATOM 0 HH22 ARG A 43 0.969 13.768 -13.650 1.00 44.11 H new ATOM 706 N ARG A 44 7.406 5.830 -12.480 1.00 42.05 N ATOM 707 CA ARG A 44 8.366 5.161 -11.572 1.00 41.01 C ATOM 708 C ARG A 44 8.817 6.115 -10.440 1.00 73.33 C ATOM 709 O ARG A 44 9.828 5.897 -9.771 1.00 15.21 O ATOM 710 CB ARG A 44 9.567 4.587 -12.378 1.00 41.14 C ATOM 711 CG ARG A 44 10.369 3.497 -11.646 1.00 43.13 C ATOM 712 CD ARG A 44 11.529 2.947 -12.489 1.00 55.02 C ATOM 713 NE ARG A 44 12.147 1.757 -11.886 1.00 23.15 N ATOM 714 CZ ARG A 44 12.982 1.742 -10.834 1.00 32.24 C ATOM 715 NH1 ARG A 44 13.344 2.861 -10.216 1.00 60.50 N ATOM 716 NH2 ARG A 44 13.426 0.579 -10.386 1.00 11.41 N ATOM 0 H ARG A 44 6.492 5.378 -12.485 1.00 42.05 H new ATOM 0 HA ARG A 44 7.867 4.320 -11.091 1.00 41.01 H new ATOM 0 HB2 ARG A 44 9.194 4.177 -13.317 1.00 41.14 H new ATOM 0 HB3 ARG A 44 10.240 5.405 -12.633 1.00 41.14 H new ATOM 0 HG2 ARG A 44 10.763 3.905 -10.715 1.00 43.13 H new ATOM 0 HG3 ARG A 44 9.701 2.679 -11.377 1.00 43.13 H new ATOM 0 HD2 ARG A 44 11.164 2.698 -13.485 1.00 55.02 H new ATOM 0 HD3 ARG A 44 12.285 3.723 -12.611 1.00 55.02 H new ATOM 0 HE ARG A 44 11.920 0.856 -12.307 1.00 23.15 H new ATOM 0 HH11 ARG A 44 12.986 3.760 -10.538 1.00 60.50 H new ATOM 0 HH12 ARG A 44 13.980 2.821 -9.419 1.00 60.50 H new ATOM 0 HH21 ARG A 44 13.134 -0.287 -10.838 1.00 11.41 H new ATOM 0 HH22 ARG A 44 14.061 0.549 -9.588 1.00 11.41 H new ATOM 730 N ASN A 45 7.981 7.131 -10.194 1.00 25.24 N ATOM 731 CA ASN A 45 8.270 8.244 -9.273 1.00 64.21 C ATOM 732 C ASN A 45 8.276 7.774 -7.808 1.00 44.50 C ATOM 733 O ASN A 45 8.933 8.371 -6.954 1.00 71.13 O ATOM 734 CB ASN A 45 7.211 9.355 -9.478 1.00 24.13 C ATOM 735 CG ASN A 45 7.562 10.658 -8.758 1.00 14.33 C ATOM 736 OD1 ASN A 45 7.162 10.892 -7.616 1.00 33.31 O ATOM 737 ND2 ASN A 45 8.343 11.497 -9.414 1.00 55.20 N ATOM 0 H ASN A 45 7.065 7.207 -10.637 1.00 25.24 H new ATOM 0 HA ASN A 45 9.264 8.634 -9.494 1.00 64.21 H new ATOM 0 HB2 ASN A 45 7.103 9.554 -10.544 1.00 24.13 H new ATOM 0 HB3 ASN A 45 6.245 8.998 -9.121 1.00 24.13 H new ATOM 0 HD21 ASN A 45 8.634 12.371 -8.976 1.00 55.20 H new ATOM 0 HD22 ASN A 45 8.655 11.271 -10.358 1.00 55.20 H new ATOM 744 N ILE A 46 7.562 6.676 -7.546 1.00 23.32 N ATOM 745 CA ILE A 46 7.374 6.145 -6.194 1.00 73.24 C ATOM 746 C ILE A 46 8.397 5.024 -5.967 1.00 42.13 C ATOM 747 O ILE A 46 8.487 4.092 -6.780 1.00 14.21 O ATOM 748 CB ILE A 46 5.914 5.603 -5.981 1.00 75.31 C ATOM 749 CG1 ILE A 46 4.863 6.671 -6.427 1.00 64.31 C ATOM 750 CG2 ILE A 46 5.700 5.184 -4.502 1.00 52.14 C ATOM 751 CD1 ILE A 46 3.414 6.249 -6.259 1.00 63.02 C ATOM 0 H ILE A 46 7.096 6.128 -8.269 1.00 23.32 H new ATOM 0 HA ILE A 46 7.525 6.948 -5.473 1.00 73.24 H new ATOM 0 HB ILE A 46 5.775 4.718 -6.602 1.00 75.31 H new ATOM 0 HG12 ILE A 46 5.029 7.584 -5.856 1.00 64.31 H new ATOM 0 HG13 ILE A 46 5.036 6.915 -7.475 1.00 64.31 H new ATOM 0 HG21 ILE A 46 4.684 4.811 -4.373 1.00 52.14 H new ATOM 0 HG22 ILE A 46 6.410 4.400 -4.240 1.00 52.14 H new ATOM 0 HG23 ILE A 46 5.855 6.046 -3.853 1.00 52.14 H new ATOM 0 HD11 ILE A 46 2.760 7.054 -6.594 1.00 63.02 H new ATOM 0 HD12 ILE A 46 3.224 5.355 -6.853 1.00 63.02 H new ATOM 0 HD13 ILE A 46 3.217 6.035 -5.209 1.00 63.02 H new ATOM 763 N ASP A 47 9.193 5.138 -4.891 1.00 20.33 N ATOM 764 CA ASP A 47 10.204 4.121 -4.541 1.00 11.25 C ATOM 765 C ASP A 47 9.533 2.928 -3.875 1.00 53.54 C ATOM 766 O ASP A 47 9.798 1.759 -4.205 1.00 22.31 O ATOM 767 CB ASP A 47 11.257 4.722 -3.583 1.00 13.45 C ATOM 768 CG ASP A 47 12.299 3.689 -3.090 1.00 51.25 C ATOM 769 OD1 ASP A 47 12.242 3.267 -1.916 1.00 34.21 O ATOM 770 OD2 ASP A 47 13.180 3.299 -3.883 1.00 74.23 O ATOM 0 H ASP A 47 9.157 5.927 -4.245 1.00 20.33 H new ATOM 0 HA ASP A 47 10.699 3.793 -5.455 1.00 11.25 H new ATOM 0 HB2 ASP A 47 11.775 5.537 -4.089 1.00 13.45 H new ATOM 0 HB3 ASP A 47 10.749 5.154 -2.721 1.00 13.45 H new ATOM 775 N MET A 48 8.659 3.252 -2.927 1.00 24.51 N ATOM 776 CA MET A 48 7.996 2.279 -2.079 1.00 13.02 C ATOM 777 C MET A 48 6.576 2.768 -1.762 1.00 15.50 C ATOM 778 O MET A 48 6.368 3.919 -1.361 1.00 72.24 O ATOM 779 CB MET A 48 8.861 2.035 -0.814 1.00 55.10 C ATOM 780 CG MET A 48 9.142 3.269 0.063 1.00 31.32 C ATOM 781 SD MET A 48 10.478 3.006 1.254 1.00 15.30 S ATOM 782 CE MET A 48 10.070 1.410 1.963 1.00 44.24 C ATOM 0 H MET A 48 8.390 4.215 -2.727 1.00 24.51 H new ATOM 0 HA MET A 48 7.893 1.318 -2.584 1.00 13.02 H new ATOM 0 HB2 MET A 48 8.366 1.283 -0.200 1.00 55.10 H new ATOM 0 HB3 MET A 48 9.816 1.612 -1.127 1.00 55.10 H new ATOM 0 HG2 MET A 48 9.397 4.113 -0.579 1.00 31.32 H new ATOM 0 HG3 MET A 48 8.233 3.540 0.600 1.00 31.32 H new ATOM 0 HE1 MET A 48 10.721 1.213 2.815 1.00 44.24 H new ATOM 0 HE2 MET A 48 9.031 1.413 2.293 1.00 44.24 H new ATOM 0 HE3 MET A 48 10.209 0.632 1.212 1.00 44.24 H new ATOM 792 N ILE A 49 5.601 1.885 -1.969 1.00 1.22 N ATOM 793 CA ILE A 49 4.168 2.220 -1.950 1.00 63.23 C ATOM 794 C ILE A 49 3.415 1.213 -1.075 1.00 3.00 C ATOM 795 O ILE A 49 3.806 0.052 -0.974 1.00 70.04 O ATOM 796 CB ILE A 49 3.576 2.251 -3.419 1.00 42.33 C ATOM 797 CG1 ILE A 49 2.029 2.499 -3.419 1.00 53.22 C ATOM 798 CG2 ILE A 49 3.944 0.971 -4.199 1.00 51.24 C ATOM 799 CD1 ILE A 49 1.365 2.427 -4.783 1.00 55.25 C ATOM 0 H ILE A 49 5.782 0.899 -2.158 1.00 1.22 H new ATOM 0 HA ILE A 49 4.043 3.216 -1.525 1.00 63.23 H new ATOM 0 HB ILE A 49 4.035 3.095 -3.935 1.00 42.33 H new ATOM 0 HG12 ILE A 49 1.559 1.765 -2.764 1.00 53.22 H new ATOM 0 HG13 ILE A 49 1.834 3.481 -2.989 1.00 53.22 H new ATOM 0 HG21 ILE A 49 3.523 1.023 -5.203 1.00 51.24 H new ATOM 0 HG22 ILE A 49 5.029 0.884 -4.264 1.00 51.24 H new ATOM 0 HG23 ILE A 49 3.541 0.101 -3.681 1.00 51.24 H new ATOM 0 HD11 ILE A 49 0.296 2.612 -4.678 1.00 55.25 H new ATOM 0 HD12 ILE A 49 1.801 3.180 -5.440 1.00 55.25 H new ATOM 0 HD13 ILE A 49 1.521 1.437 -5.212 1.00 55.25 H new ATOM 811 N ILE A 50 2.353 1.684 -0.411 1.00 2.24 N ATOM 812 CA ILE A 50 1.508 0.869 0.478 1.00 62.34 C ATOM 813 C ILE A 50 0.046 1.115 0.097 1.00 51.23 C ATOM 814 O ILE A 50 -0.378 2.267 0.025 1.00 51.52 O ATOM 815 CB ILE A 50 1.746 1.258 1.987 1.00 51.23 C ATOM 816 CG1 ILE A 50 3.263 1.207 2.331 1.00 62.24 C ATOM 817 CG2 ILE A 50 0.925 0.350 2.933 1.00 53.33 C ATOM 818 CD1 ILE A 50 3.646 1.827 3.655 1.00 35.13 C ATOM 0 H ILE A 50 2.050 2.656 -0.475 1.00 2.24 H new ATOM 0 HA ILE A 50 1.761 -0.185 0.363 1.00 62.34 H new ATOM 0 HB ILE A 50 1.400 2.281 2.134 1.00 51.23 H new ATOM 0 HG12 ILE A 50 3.584 0.165 2.330 1.00 62.24 H new ATOM 0 HG13 ILE A 50 3.816 1.712 1.539 1.00 62.24 H new ATOM 0 HG21 ILE A 50 1.109 0.641 3.967 1.00 53.33 H new ATOM 0 HG22 ILE A 50 -0.136 0.457 2.709 1.00 53.33 H new ATOM 0 HG23 ILE A 50 1.223 -0.689 2.790 1.00 53.33 H new ATOM 0 HD11 ILE A 50 4.723 1.740 3.800 1.00 35.13 H new ATOM 0 HD12 ILE A 50 3.363 2.880 3.659 1.00 35.13 H new ATOM 0 HD13 ILE A 50 3.128 1.309 4.463 1.00 35.13 H new ATOM 830 N VAL A 51 -0.712 0.042 -0.183 1.00 43.22 N ATOM 831 CA VAL A 51 -2.131 0.134 -0.567 1.00 14.32 C ATOM 832 C VAL A 51 -2.986 -0.677 0.414 1.00 12.52 C ATOM 833 O VAL A 51 -2.884 -1.906 0.465 1.00 65.44 O ATOM 834 CB VAL A 51 -2.371 -0.354 -2.048 1.00 44.00 C ATOM 835 CG1 VAL A 51 -3.866 -0.265 -2.450 1.00 74.22 C ATOM 836 CG2 VAL A 51 -1.494 0.455 -3.027 1.00 51.14 C ATOM 0 H VAL A 51 -0.358 -0.914 -0.150 1.00 43.22 H new ATOM 0 HA VAL A 51 -2.426 1.182 -0.523 1.00 14.32 H new ATOM 0 HB VAL A 51 -2.084 -1.404 -2.101 1.00 44.00 H new ATOM 0 HG11 VAL A 51 -3.988 -0.610 -3.477 1.00 74.22 H new ATOM 0 HG12 VAL A 51 -4.460 -0.891 -1.784 1.00 74.22 H new ATOM 0 HG13 VAL A 51 -4.203 0.769 -2.372 1.00 74.22 H new ATOM 0 HG21 VAL A 51 -1.670 0.108 -4.045 1.00 51.14 H new ATOM 0 HG22 VAL A 51 -1.749 1.512 -2.955 1.00 51.14 H new ATOM 0 HG23 VAL A 51 -0.443 0.317 -2.773 1.00 51.14 H new ATOM 846 N LYS A 52 -3.796 0.032 1.214 1.00 1.04 N ATOM 847 CA LYS A 52 -4.778 -0.575 2.113 1.00 42.31 C ATOM 848 C LYS A 52 -6.175 -0.472 1.473 1.00 74.32 C ATOM 849 O LYS A 52 -6.731 0.629 1.343 1.00 4.02 O ATOM 850 CB LYS A 52 -4.744 0.107 3.509 1.00 34.01 C ATOM 851 CG LYS A 52 -5.966 -0.182 4.425 1.00 34.24 C ATOM 852 CD LYS A 52 -6.242 -1.685 4.678 1.00 22.24 C ATOM 853 CE LYS A 52 -7.502 -1.906 5.530 1.00 65.53 C ATOM 854 NZ LYS A 52 -7.888 -3.335 5.586 1.00 35.42 N ATOM 0 H LYS A 52 -3.785 1.051 1.253 1.00 1.04 H new ATOM 0 HA LYS A 52 -4.533 -1.627 2.263 1.00 42.31 H new ATOM 0 HB2 LYS A 52 -3.840 -0.212 4.028 1.00 34.01 H new ATOM 0 HB3 LYS A 52 -4.666 1.185 3.366 1.00 34.01 H new ATOM 0 HG2 LYS A 52 -5.809 0.311 5.384 1.00 34.24 H new ATOM 0 HG3 LYS A 52 -6.853 0.266 3.977 1.00 34.24 H new ATOM 0 HD2 LYS A 52 -6.356 -2.198 3.723 1.00 22.24 H new ATOM 0 HD3 LYS A 52 -5.383 -2.132 5.179 1.00 22.24 H new ATOM 0 HE2 LYS A 52 -7.326 -1.538 6.541 1.00 65.53 H new ATOM 0 HE3 LYS A 52 -8.326 -1.323 5.118 1.00 65.53 H new ATOM 0 HZ1 LYS A 52 -8.752 -3.439 6.156 1.00 35.42 H new ATOM 0 HZ2 LYS A 52 -8.065 -3.685 4.623 1.00 35.42 H new ATOM 0 HZ3 LYS A 52 -7.119 -3.886 6.019 1.00 35.42 H new ATOM 868 N THR A 53 -6.712 -1.630 1.060 1.00 35.33 N ATOM 869 CA THR A 53 -8.092 -1.759 0.578 1.00 63.43 C ATOM 870 C THR A 53 -8.436 -3.240 0.394 1.00 2.32 C ATOM 871 O THR A 53 -7.555 -4.096 0.355 1.00 13.50 O ATOM 872 CB THR A 53 -8.341 -0.967 -0.757 1.00 71.44 C ATOM 873 OG1 THR A 53 -9.731 -1.002 -1.106 1.00 65.01 O ATOM 874 CG2 THR A 53 -7.495 -1.494 -1.933 1.00 21.30 C ATOM 0 H THR A 53 -6.195 -2.509 1.052 1.00 35.33 H new ATOM 0 HA THR A 53 -8.746 -1.318 1.330 1.00 63.43 H new ATOM 0 HB THR A 53 -8.031 0.061 -0.571 1.00 71.44 H new ATOM 0 HG1 THR A 53 -10.259 -0.594 -0.388 1.00 65.01 H new ATOM 0 HG21 THR A 53 -7.710 -0.908 -2.827 1.00 21.30 H new ATOM 0 HG22 THR A 53 -6.437 -1.407 -1.688 1.00 21.30 H new ATOM 0 HG23 THR A 53 -7.740 -2.540 -2.117 1.00 21.30 H new ATOM 882 N GLU A 54 -9.741 -3.535 0.350 1.00 21.41 N ATOM 883 CA GLU A 54 -10.271 -4.863 -0.010 1.00 14.23 C ATOM 884 C GLU A 54 -10.672 -4.879 -1.501 1.00 20.31 C ATOM 885 O GLU A 54 -11.067 -5.922 -2.032 1.00 61.10 O ATOM 886 CB GLU A 54 -11.484 -5.250 0.897 1.00 71.12 C ATOM 887 CG GLU A 54 -11.129 -5.601 2.366 1.00 52.22 C ATOM 888 CD GLU A 54 -10.557 -4.418 3.166 1.00 2.42 C ATOM 889 OE1 GLU A 54 -9.329 -4.360 3.374 1.00 14.25 O ATOM 890 OE2 GLU A 54 -11.339 -3.532 3.578 1.00 55.23 O ATOM 0 H GLU A 54 -10.469 -2.854 0.565 1.00 21.41 H new ATOM 0 HA GLU A 54 -9.490 -5.605 0.153 1.00 14.23 H new ATOM 0 HB2 GLU A 54 -12.193 -4.422 0.900 1.00 71.12 H new ATOM 0 HB3 GLU A 54 -11.993 -6.104 0.450 1.00 71.12 H new ATOM 0 HG2 GLU A 54 -12.024 -5.969 2.868 1.00 52.22 H new ATOM 0 HG3 GLU A 54 -10.404 -6.415 2.370 1.00 52.22 H new ATOM 897 N ASP A 55 -10.570 -3.708 -2.163 1.00 10.44 N ATOM 898 CA ASP A 55 -10.878 -3.554 -3.597 1.00 25.23 C ATOM 899 C ASP A 55 -9.799 -4.283 -4.421 1.00 54.43 C ATOM 900 O ASP A 55 -8.722 -3.728 -4.684 1.00 4.44 O ATOM 901 CB ASP A 55 -10.965 -2.042 -3.962 1.00 21.33 C ATOM 902 CG ASP A 55 -11.500 -1.773 -5.380 1.00 42.22 C ATOM 903 OD1 ASP A 55 -12.733 -1.680 -5.547 1.00 22.34 O ATOM 904 OD2 ASP A 55 -10.697 -1.647 -6.329 1.00 33.22 O ATOM 0 H ASP A 55 -10.271 -2.842 -1.716 1.00 10.44 H new ATOM 0 HA ASP A 55 -11.846 -4.000 -3.828 1.00 25.23 H new ATOM 0 HB2 ASP A 55 -11.609 -1.540 -3.240 1.00 21.33 H new ATOM 0 HB3 ASP A 55 -9.974 -1.598 -3.868 1.00 21.33 H new ATOM 909 N LYS A 56 -10.092 -5.558 -4.757 1.00 5.12 N ATOM 910 CA LYS A 56 -9.158 -6.485 -5.445 1.00 52.20 C ATOM 911 C LYS A 56 -8.606 -5.903 -6.761 1.00 44.33 C ATOM 912 O LYS A 56 -7.474 -6.197 -7.147 1.00 25.23 O ATOM 913 CB LYS A 56 -9.860 -7.837 -5.743 1.00 63.15 C ATOM 914 CG LYS A 56 -10.427 -8.546 -4.496 1.00 73.13 C ATOM 915 CD LYS A 56 -11.158 -9.865 -4.846 1.00 52.55 C ATOM 916 CE LYS A 56 -11.816 -10.521 -3.625 1.00 74.43 C ATOM 917 NZ LYS A 56 -12.582 -11.742 -3.991 1.00 2.30 N ATOM 0 H LYS A 56 -10.998 -5.982 -4.556 1.00 5.12 H new ATOM 0 HA LYS A 56 -8.318 -6.637 -4.768 1.00 52.20 H new ATOM 0 HB2 LYS A 56 -10.672 -7.663 -6.449 1.00 63.15 H new ATOM 0 HB3 LYS A 56 -9.149 -8.502 -6.233 1.00 63.15 H new ATOM 0 HG2 LYS A 56 -9.614 -8.758 -3.801 1.00 73.13 H new ATOM 0 HG3 LYS A 56 -11.118 -7.876 -3.984 1.00 73.13 H new ATOM 0 HD2 LYS A 56 -11.920 -9.664 -5.600 1.00 52.55 H new ATOM 0 HD3 LYS A 56 -10.447 -10.563 -5.289 1.00 52.55 H new ATOM 0 HE2 LYS A 56 -11.049 -10.780 -2.896 1.00 74.43 H new ATOM 0 HE3 LYS A 56 -12.483 -9.805 -3.145 1.00 74.43 H new ATOM 0 HZ1 LYS A 56 -13.010 -12.153 -3.137 1.00 2.30 H new ATOM 0 HZ2 LYS A 56 -13.331 -11.492 -4.667 1.00 2.30 H new ATOM 0 HZ3 LYS A 56 -11.941 -12.437 -4.426 1.00 2.30 H new ATOM 931 N GLU A 57 -9.435 -5.087 -7.433 1.00 23.14 N ATOM 932 CA GLU A 57 -9.084 -4.442 -8.708 1.00 35.20 C ATOM 933 C GLU A 57 -7.990 -3.380 -8.499 1.00 54.52 C ATOM 934 O GLU A 57 -7.041 -3.315 -9.275 1.00 74.35 O ATOM 935 CB GLU A 57 -10.360 -3.838 -9.352 1.00 33.24 C ATOM 936 CG GLU A 57 -11.433 -4.897 -9.697 1.00 0.33 C ATOM 937 CD GLU A 57 -12.744 -4.287 -10.209 1.00 33.50 C ATOM 938 OE1 GLU A 57 -13.076 -4.454 -11.401 1.00 12.14 O ATOM 939 OE2 GLU A 57 -13.445 -3.633 -9.409 1.00 0.13 O ATOM 0 H GLU A 57 -10.373 -4.855 -7.105 1.00 23.14 H new ATOM 0 HA GLU A 57 -8.677 -5.187 -9.391 1.00 35.20 H new ATOM 0 HB2 GLU A 57 -10.790 -3.104 -8.670 1.00 33.24 H new ATOM 0 HB3 GLU A 57 -10.082 -3.304 -10.261 1.00 33.24 H new ATOM 0 HG2 GLU A 57 -11.036 -5.574 -10.453 1.00 0.33 H new ATOM 0 HG3 GLU A 57 -11.641 -5.496 -8.810 1.00 0.33 H new ATOM 946 N SER A 58 -8.103 -2.595 -7.403 1.00 21.35 N ATOM 947 CA SER A 58 -7.101 -1.573 -7.035 1.00 5.13 C ATOM 948 C SER A 58 -5.769 -2.252 -6.730 1.00 12.15 C ATOM 949 O SER A 58 -4.739 -1.905 -7.303 1.00 51.42 O ATOM 950 CB SER A 58 -7.572 -0.780 -5.790 1.00 15.22 C ATOM 951 OG SER A 58 -6.667 0.260 -5.438 1.00 13.01 O ATOM 0 H SER A 58 -8.887 -2.653 -6.753 1.00 21.35 H new ATOM 0 HA SER A 58 -6.980 -0.882 -7.869 1.00 5.13 H new ATOM 0 HB2 SER A 58 -8.555 -0.352 -5.985 1.00 15.22 H new ATOM 0 HB3 SER A 58 -7.683 -1.463 -4.948 1.00 15.22 H new ATOM 0 HG SER A 58 -7.004 0.734 -4.650 1.00 13.01 H new ATOM 957 N ILE A 59 -5.845 -3.246 -5.834 1.00 74.02 N ATOM 958 CA ILE A 59 -4.702 -4.042 -5.381 1.00 1.01 C ATOM 959 C ILE A 59 -3.922 -4.606 -6.584 1.00 2.41 C ATOM 960 O ILE A 59 -2.747 -4.285 -6.767 1.00 25.22 O ATOM 961 CB ILE A 59 -5.211 -5.210 -4.454 1.00 43.11 C ATOM 962 CG1 ILE A 59 -5.936 -4.631 -3.194 1.00 12.42 C ATOM 963 CG2 ILE A 59 -4.065 -6.155 -4.053 1.00 71.22 C ATOM 964 CD1 ILE A 59 -6.641 -5.665 -2.340 1.00 61.01 C ATOM 0 H ILE A 59 -6.724 -3.523 -5.396 1.00 74.02 H new ATOM 0 HA ILE A 59 -4.026 -3.403 -4.813 1.00 1.01 H new ATOM 0 HB ILE A 59 -5.930 -5.801 -5.022 1.00 43.11 H new ATOM 0 HG12 ILE A 59 -5.204 -4.109 -2.578 1.00 12.42 H new ATOM 0 HG13 ILE A 59 -6.666 -3.890 -3.520 1.00 12.42 H new ATOM 0 HG21 ILE A 59 -4.454 -6.948 -3.414 1.00 71.22 H new ATOM 0 HG22 ILE A 59 -3.625 -6.594 -4.949 1.00 71.22 H new ATOM 0 HG23 ILE A 59 -3.303 -5.594 -3.512 1.00 71.22 H new ATOM 0 HD11 ILE A 59 -7.115 -5.173 -1.490 1.00 61.01 H new ATOM 0 HD12 ILE A 59 -7.400 -6.172 -2.935 1.00 61.01 H new ATOM 0 HD13 ILE A 59 -5.916 -6.394 -1.979 1.00 61.01 H new ATOM 976 N SER A 60 -4.639 -5.362 -7.436 1.00 24.23 N ATOM 977 CA SER A 60 -4.060 -6.071 -8.584 1.00 31.13 C ATOM 978 C SER A 60 -3.378 -5.095 -9.569 1.00 22.01 C ATOM 979 O SER A 60 -2.227 -5.315 -9.940 1.00 43.31 O ATOM 980 CB SER A 60 -5.137 -6.906 -9.307 1.00 42.11 C ATOM 981 OG SER A 60 -4.569 -7.654 -10.366 1.00 30.20 O ATOM 0 H SER A 60 -5.646 -5.497 -7.343 1.00 24.23 H new ATOM 0 HA SER A 60 -3.294 -6.746 -8.202 1.00 31.13 H new ATOM 0 HB2 SER A 60 -5.618 -7.580 -8.598 1.00 42.11 H new ATOM 0 HB3 SER A 60 -5.913 -6.247 -9.697 1.00 42.11 H new ATOM 0 HG SER A 60 -3.905 -8.279 -10.006 1.00 30.20 H new ATOM 987 N GLU A 61 -4.095 -4.005 -9.943 1.00 2.14 N ATOM 988 CA GLU A 61 -3.605 -3.005 -10.918 1.00 5.40 C ATOM 989 C GLU A 61 -2.315 -2.324 -10.430 1.00 22.44 C ATOM 990 O GLU A 61 -1.334 -2.252 -11.181 1.00 20.13 O ATOM 991 CB GLU A 61 -4.702 -1.952 -11.230 1.00 43.51 C ATOM 992 CG GLU A 61 -5.884 -2.507 -12.049 1.00 33.31 C ATOM 993 CD GLU A 61 -6.961 -1.448 -12.308 1.00 11.52 C ATOM 994 OE1 GLU A 61 -6.723 -0.540 -13.135 1.00 51.03 O ATOM 995 OE2 GLU A 61 -8.049 -1.513 -11.692 1.00 53.34 O ATOM 0 H GLU A 61 -5.024 -3.798 -9.577 1.00 2.14 H new ATOM 0 HA GLU A 61 -3.368 -3.535 -11.840 1.00 5.40 H new ATOM 0 HB2 GLU A 61 -5.081 -1.547 -10.292 1.00 43.51 H new ATOM 0 HB3 GLU A 61 -4.252 -1.123 -11.776 1.00 43.51 H new ATOM 0 HG2 GLU A 61 -5.516 -2.888 -13.002 1.00 33.31 H new ATOM 0 HG3 GLU A 61 -6.327 -3.350 -11.518 1.00 33.31 H new ATOM 1002 N ILE A 62 -2.316 -1.869 -9.160 1.00 73.01 N ATOM 1003 CA ILE A 62 -1.137 -1.245 -8.539 1.00 14.44 C ATOM 1004 C ILE A 62 0.067 -2.221 -8.583 1.00 33.21 C ATOM 1005 O ILE A 62 1.147 -1.820 -9.011 1.00 10.31 O ATOM 1006 CB ILE A 62 -1.422 -0.727 -7.058 1.00 44.21 C ATOM 1007 CG1 ILE A 62 -2.053 0.720 -7.051 1.00 54.44 C ATOM 1008 CG2 ILE A 62 -0.148 -0.755 -6.178 1.00 60.15 C ATOM 1009 CD1 ILE A 62 -3.455 0.833 -7.623 1.00 35.03 C ATOM 0 H ILE A 62 -3.127 -1.924 -8.544 1.00 73.01 H new ATOM 0 HA ILE A 62 -0.889 -0.358 -9.121 1.00 14.44 H new ATOM 0 HB ILE A 62 -2.147 -1.418 -6.629 1.00 44.21 H new ATOM 0 HG12 ILE A 62 -2.070 1.083 -6.023 1.00 54.44 H new ATOM 0 HG13 ILE A 62 -1.397 1.385 -7.613 1.00 54.44 H new ATOM 0 HG21 ILE A 62 -0.389 -0.394 -5.178 1.00 60.15 H new ATOM 0 HG22 ILE A 62 0.228 -1.776 -6.115 1.00 60.15 H new ATOM 0 HG23 ILE A 62 0.615 -0.115 -6.621 1.00 60.15 H new ATOM 0 HD11 ILE A 62 -3.788 1.869 -7.568 1.00 35.03 H new ATOM 0 HD12 ILE A 62 -3.451 0.508 -8.664 1.00 35.03 H new ATOM 0 HD13 ILE A 62 -4.134 0.203 -7.049 1.00 35.03 H new ATOM 1021 N ILE A 63 -0.158 -3.499 -8.196 1.00 64.21 N ATOM 1022 CA ILE A 63 0.899 -4.537 -8.185 1.00 72.45 C ATOM 1023 C ILE A 63 1.516 -4.707 -9.583 1.00 13.34 C ATOM 1024 O ILE A 63 2.731 -4.745 -9.701 1.00 70.43 O ATOM 1025 CB ILE A 63 0.364 -5.925 -7.673 1.00 13.34 C ATOM 1026 CG1 ILE A 63 -0.123 -5.822 -6.200 1.00 54.34 C ATOM 1027 CG2 ILE A 63 1.437 -7.038 -7.806 1.00 20.41 C ATOM 1028 CD1 ILE A 63 -0.825 -7.064 -5.699 1.00 43.01 C ATOM 0 H ILE A 63 -1.069 -3.837 -7.885 1.00 64.21 H new ATOM 0 HA ILE A 63 1.665 -4.194 -7.490 1.00 72.45 H new ATOM 0 HB ILE A 63 -0.482 -6.197 -8.304 1.00 13.34 H new ATOM 0 HG12 ILE A 63 0.734 -5.617 -5.558 1.00 54.34 H new ATOM 0 HG13 ILE A 63 -0.800 -4.972 -6.110 1.00 54.34 H new ATOM 0 HG21 ILE A 63 1.030 -7.981 -7.442 1.00 20.41 H new ATOM 0 HG22 ILE A 63 1.722 -7.145 -8.853 1.00 20.41 H new ATOM 0 HG23 ILE A 63 2.314 -6.770 -7.217 1.00 20.41 H new ATOM 0 HD11 ILE A 63 -1.135 -6.915 -4.665 1.00 43.01 H new ATOM 0 HD12 ILE A 63 -1.702 -7.260 -6.316 1.00 43.01 H new ATOM 0 HD13 ILE A 63 -0.145 -7.914 -5.755 1.00 43.01 H new ATOM 1040 N LYS A 64 0.659 -4.764 -10.628 1.00 74.12 N ATOM 1041 CA LYS A 64 1.103 -4.876 -12.038 1.00 31.44 C ATOM 1042 C LYS A 64 2.080 -3.736 -12.388 1.00 63.42 C ATOM 1043 O LYS A 64 3.104 -3.952 -13.041 1.00 63.31 O ATOM 1044 CB LYS A 64 -0.111 -4.820 -13.003 1.00 72.11 C ATOM 1045 CG LYS A 64 -1.159 -5.938 -12.813 1.00 52.34 C ATOM 1046 CD LYS A 64 -2.408 -5.707 -13.701 1.00 45.24 C ATOM 1047 CE LYS A 64 -3.545 -6.701 -13.429 1.00 13.40 C ATOM 1048 NZ LYS A 64 -4.740 -6.413 -14.275 1.00 61.25 N ATOM 0 H LYS A 64 -0.355 -4.734 -10.520 1.00 74.12 H new ATOM 0 HA LYS A 64 1.608 -5.835 -12.153 1.00 31.44 H new ATOM 0 HB2 LYS A 64 -0.606 -3.857 -12.882 1.00 72.11 H new ATOM 0 HB3 LYS A 64 0.258 -4.862 -14.028 1.00 72.11 H new ATOM 0 HG2 LYS A 64 -0.712 -6.902 -13.057 1.00 52.34 H new ATOM 0 HG3 LYS A 64 -1.459 -5.982 -11.766 1.00 52.34 H new ATOM 0 HD2 LYS A 64 -2.776 -4.694 -13.540 1.00 45.24 H new ATOM 0 HD3 LYS A 64 -2.117 -5.778 -14.749 1.00 45.24 H new ATOM 0 HE2 LYS A 64 -3.197 -7.715 -13.623 1.00 13.40 H new ATOM 0 HE3 LYS A 64 -3.824 -6.656 -12.376 1.00 13.40 H new ATOM 0 HZ1 LYS A 64 -5.489 -7.104 -14.065 1.00 61.25 H new ATOM 0 HZ2 LYS A 64 -5.087 -5.454 -14.071 1.00 61.25 H new ATOM 0 HZ3 LYS A 64 -4.479 -6.480 -15.279 1.00 61.25 H new ATOM 1062 N GLN A 65 1.729 -2.529 -11.919 1.00 41.23 N ATOM 1063 CA GLN A 65 2.513 -1.310 -12.144 1.00 61.10 C ATOM 1064 C GLN A 65 3.820 -1.302 -11.314 1.00 65.53 C ATOM 1065 O GLN A 65 4.832 -0.747 -11.748 1.00 0.41 O ATOM 1066 CB GLN A 65 1.643 -0.078 -11.800 1.00 32.22 C ATOM 1067 CG GLN A 65 0.337 0.029 -12.614 1.00 10.52 C ATOM 1068 CD GLN A 65 0.537 0.200 -14.124 1.00 63.02 C ATOM 1069 OE1 GLN A 65 -0.266 -0.265 -14.930 1.00 44.23 O ATOM 1070 NE2 GLN A 65 1.573 0.906 -14.523 1.00 34.40 N ATOM 0 H GLN A 65 0.885 -2.373 -11.368 1.00 41.23 H new ATOM 0 HA GLN A 65 2.804 -1.276 -13.194 1.00 61.10 H new ATOM 0 HB2 GLN A 65 1.394 -0.110 -10.739 1.00 32.22 H new ATOM 0 HB3 GLN A 65 2.233 0.824 -11.962 1.00 32.22 H new ATOM 0 HG2 GLN A 65 -0.259 -0.867 -12.439 1.00 10.52 H new ATOM 0 HG3 GLN A 65 -0.241 0.874 -12.240 1.00 10.52 H new ATOM 0 HE21 GLN A 65 2.228 1.283 -13.838 1.00 34.40 H new ATOM 0 HE22 GLN A 65 1.722 1.076 -15.518 1.00 34.40 H new ATOM 1079 N VAL A 66 3.793 -1.912 -10.113 1.00 4.22 N ATOM 1080 CA VAL A 66 4.976 -1.991 -9.232 1.00 21.10 C ATOM 1081 C VAL A 66 5.935 -3.114 -9.710 1.00 53.22 C ATOM 1082 O VAL A 66 7.146 -3.039 -9.498 1.00 63.22 O ATOM 1083 CB VAL A 66 4.576 -2.194 -7.725 1.00 54.25 C ATOM 1084 CG1 VAL A 66 5.822 -2.252 -6.821 1.00 63.45 C ATOM 1085 CG2 VAL A 66 3.625 -1.075 -7.245 1.00 33.01 C ATOM 0 H VAL A 66 2.961 -2.359 -9.729 1.00 4.22 H new ATOM 0 HA VAL A 66 5.498 -1.037 -9.297 1.00 21.10 H new ATOM 0 HB VAL A 66 4.053 -3.148 -7.654 1.00 54.25 H new ATOM 0 HG11 VAL A 66 5.514 -2.393 -5.785 1.00 63.45 H new ATOM 0 HG12 VAL A 66 6.455 -3.084 -7.128 1.00 63.45 H new ATOM 0 HG13 VAL A 66 6.380 -1.320 -6.910 1.00 63.45 H new ATOM 0 HG21 VAL A 66 3.365 -1.242 -6.200 1.00 33.01 H new ATOM 0 HG22 VAL A 66 4.119 -0.109 -7.347 1.00 33.01 H new ATOM 0 HG23 VAL A 66 2.718 -1.084 -7.850 1.00 33.01 H new ATOM 1095 N LEU A 67 5.377 -4.133 -10.386 1.00 53.42 N ATOM 1096 CA LEU A 67 6.167 -5.201 -11.032 1.00 14.23 C ATOM 1097 C LEU A 67 6.898 -4.616 -12.249 1.00 5.33 C ATOM 1098 O LEU A 67 8.073 -4.922 -12.497 1.00 20.05 O ATOM 1099 CB LEU A 67 5.254 -6.388 -11.475 1.00 71.10 C ATOM 1100 CG LEU A 67 4.575 -7.215 -10.334 1.00 21.32 C ATOM 1101 CD1 LEU A 67 3.649 -8.304 -10.919 1.00 1.04 C ATOM 1102 CD2 LEU A 67 5.620 -7.825 -9.369 1.00 0.30 C ATOM 0 H LEU A 67 4.369 -4.241 -10.501 1.00 53.42 H new ATOM 0 HA LEU A 67 6.890 -5.588 -10.314 1.00 14.23 H new ATOM 0 HB2 LEU A 67 4.470 -5.992 -12.121 1.00 71.10 H new ATOM 0 HB3 LEU A 67 5.852 -7.070 -12.080 1.00 71.10 H new ATOM 0 HG LEU A 67 3.962 -6.528 -9.751 1.00 21.32 H new ATOM 0 HD11 LEU A 67 3.189 -8.865 -10.106 1.00 1.04 H new ATOM 0 HD12 LEU A 67 2.871 -7.835 -11.522 1.00 1.04 H new ATOM 0 HD13 LEU A 67 4.233 -8.981 -11.543 1.00 1.04 H new ATOM 0 HD21 LEU A 67 5.109 -8.392 -8.591 1.00 0.30 H new ATOM 0 HD22 LEU A 67 6.284 -8.488 -9.924 1.00 0.30 H new ATOM 0 HD23 LEU A 67 6.204 -7.026 -8.912 1.00 0.30 H new ATOM 1114 N ASP A 68 6.166 -3.770 -12.999 1.00 20.01 N ATOM 1115 CA ASP A 68 6.684 -3.057 -14.177 1.00 43.12 C ATOM 1116 C ASP A 68 7.771 -2.046 -13.783 1.00 72.11 C ATOM 1117 O ASP A 68 8.788 -1.928 -14.472 1.00 2.44 O ATOM 1118 CB ASP A 68 5.524 -2.340 -14.920 1.00 25.30 C ATOM 1119 CG ASP A 68 6.002 -1.467 -16.100 1.00 55.14 C ATOM 1120 OD1 ASP A 68 6.387 -2.027 -17.148 1.00 0.13 O ATOM 1121 OD2 ASP A 68 5.982 -0.219 -15.988 1.00 1.41 O ATOM 0 H ASP A 68 5.188 -3.562 -12.800 1.00 20.01 H new ATOM 0 HA ASP A 68 7.136 -3.790 -14.845 1.00 43.12 H new ATOM 0 HB2 ASP A 68 4.822 -3.087 -15.291 1.00 25.30 H new ATOM 0 HB3 ASP A 68 4.980 -1.715 -14.212 1.00 25.30 H new ATOM 1126 N SER A 69 7.556 -1.327 -12.671 1.00 40.25 N ATOM 1127 CA SER A 69 8.529 -0.347 -12.170 1.00 32.04 C ATOM 1128 C SER A 69 9.667 -1.047 -11.402 1.00 54.24 C ATOM 1129 O SER A 69 10.767 -0.510 -11.291 1.00 65.22 O ATOM 1130 CB SER A 69 7.821 0.698 -11.282 1.00 30.02 C ATOM 1131 OG SER A 69 7.172 0.096 -10.181 1.00 71.25 O ATOM 0 H SER A 69 6.714 -1.407 -12.101 1.00 40.25 H new ATOM 0 HA SER A 69 8.973 0.169 -13.021 1.00 32.04 H new ATOM 0 HB2 SER A 69 8.551 1.423 -10.922 1.00 30.02 H new ATOM 0 HB3 SER A 69 7.092 1.248 -11.878 1.00 30.02 H new ATOM 0 HG SER A 69 6.458 0.686 -9.860 1.00 71.25 H new ATOM 1137 N GLY A 70 9.392 -2.262 -10.900 1.00 13.10 N ATOM 1138 CA GLY A 70 10.346 -3.010 -10.078 1.00 44.43 C ATOM 1139 C GLY A 70 10.591 -2.346 -8.725 1.00 62.14 C ATOM 1140 O GLY A 70 11.703 -2.400 -8.186 1.00 22.03 O ATOM 0 H GLY A 70 8.508 -2.747 -11.053 1.00 13.10 H new ATOM 0 HA2 GLY A 70 9.972 -4.022 -9.921 1.00 44.43 H new ATOM 0 HA3 GLY A 70 11.291 -3.099 -10.613 1.00 44.43 H new ATOM 1144 N ALA A 71 9.542 -1.697 -8.191 1.00 21.41 N ATOM 1145 CA ALA A 71 9.595 -0.970 -6.908 1.00 73.05 C ATOM 1146 C ALA A 71 9.182 -1.889 -5.736 1.00 20.53 C ATOM 1147 O ALA A 71 8.970 -3.093 -5.922 1.00 74.42 O ATOM 1148 CB ALA A 71 8.691 0.273 -6.998 1.00 62.12 C ATOM 0 H ALA A 71 8.627 -1.661 -8.640 1.00 21.41 H new ATOM 0 HA ALA A 71 10.618 -0.648 -6.713 1.00 73.05 H new ATOM 0 HB1 ALA A 71 8.724 0.816 -6.054 1.00 62.12 H new ATOM 0 HB2 ALA A 71 9.042 0.920 -7.802 1.00 62.12 H new ATOM 0 HB3 ALA A 71 7.666 -0.037 -7.203 1.00 62.12 H new ATOM 1154 N LYS A 72 9.087 -1.311 -4.527 1.00 63.04 N ATOM 1155 CA LYS A 72 8.623 -2.026 -3.320 1.00 44.31 C ATOM 1156 C LYS A 72 7.137 -1.703 -3.081 1.00 20.25 C ATOM 1157 O LYS A 72 6.734 -0.551 -3.226 1.00 74.13 O ATOM 1158 CB LYS A 72 9.482 -1.626 -2.077 1.00 52.40 C ATOM 1159 CG LYS A 72 10.908 -2.239 -2.035 1.00 71.14 C ATOM 1160 CD LYS A 72 11.882 -1.677 -3.096 1.00 63.15 C ATOM 1161 CE LYS A 72 12.308 -0.222 -2.823 1.00 72.05 C ATOM 1162 NZ LYS A 72 13.118 -0.091 -1.575 1.00 73.54 N ATOM 0 H LYS A 72 9.329 -0.335 -4.356 1.00 63.04 H new ATOM 0 HA LYS A 72 8.738 -3.099 -3.471 1.00 44.31 H new ATOM 0 HB2 LYS A 72 9.570 -0.540 -2.050 1.00 52.40 H new ATOM 0 HB3 LYS A 72 8.948 -1.925 -1.175 1.00 52.40 H new ATOM 0 HG2 LYS A 72 11.333 -2.070 -1.045 1.00 71.14 H new ATOM 0 HG3 LYS A 72 10.829 -3.318 -2.168 1.00 71.14 H new ATOM 0 HD2 LYS A 72 12.770 -2.307 -3.133 1.00 63.15 H new ATOM 0 HD3 LYS A 72 11.411 -1.732 -4.077 1.00 63.15 H new ATOM 0 HE2 LYS A 72 12.886 0.149 -3.669 1.00 72.05 H new ATOM 0 HE3 LYS A 72 11.420 0.405 -2.744 1.00 72.05 H new ATOM 0 HZ1 LYS A 72 13.437 0.893 -1.470 1.00 73.54 H new ATOM 0 HZ2 LYS A 72 12.536 -0.355 -0.754 1.00 73.54 H new ATOM 0 HZ3 LYS A 72 13.945 -0.719 -1.630 1.00 73.54 H new ATOM 1176 N VAL A 73 6.330 -2.725 -2.726 1.00 52.41 N ATOM 1177 CA VAL A 73 4.883 -2.553 -2.443 1.00 0.14 C ATOM 1178 C VAL A 73 4.431 -3.426 -1.259 1.00 44.50 C ATOM 1179 O VAL A 73 4.854 -4.575 -1.129 1.00 12.42 O ATOM 1180 CB VAL A 73 3.992 -2.860 -3.707 1.00 73.33 C ATOM 1181 CG1 VAL A 73 4.225 -4.288 -4.257 1.00 73.34 C ATOM 1182 CG2 VAL A 73 2.485 -2.588 -3.437 1.00 3.15 C ATOM 0 H VAL A 73 6.656 -3.686 -2.627 1.00 52.41 H new ATOM 0 HA VAL A 73 4.745 -1.505 -2.177 1.00 0.14 H new ATOM 0 HB VAL A 73 4.310 -2.166 -4.485 1.00 73.33 H new ATOM 0 HG11 VAL A 73 3.589 -4.451 -5.127 1.00 73.34 H new ATOM 0 HG12 VAL A 73 5.270 -4.401 -4.546 1.00 73.34 H new ATOM 0 HG13 VAL A 73 3.980 -5.019 -3.486 1.00 73.34 H new ATOM 0 HG21 VAL A 73 1.908 -2.813 -4.334 1.00 3.15 H new ATOM 0 HG22 VAL A 73 2.142 -3.220 -2.618 1.00 3.15 H new ATOM 0 HG23 VAL A 73 2.347 -1.540 -3.170 1.00 3.15 H new ATOM 1192 N LEU A 74 3.569 -2.853 -0.404 1.00 54.12 N ATOM 1193 CA LEU A 74 2.919 -3.552 0.706 1.00 32.43 C ATOM 1194 C LEU A 74 1.399 -3.512 0.498 1.00 63.14 C ATOM 1195 O LEU A 74 0.799 -2.434 0.462 1.00 64.42 O ATOM 1196 CB LEU A 74 3.298 -2.900 2.054 1.00 32.14 C ATOM 1197 CG LEU A 74 2.559 -3.440 3.321 1.00 74.11 C ATOM 1198 CD1 LEU A 74 2.751 -4.961 3.505 1.00 30.42 C ATOM 1199 CD2 LEU A 74 2.986 -2.666 4.578 1.00 43.41 C ATOM 0 H LEU A 74 3.302 -1.871 -0.470 1.00 54.12 H new ATOM 0 HA LEU A 74 3.256 -4.588 0.730 1.00 32.43 H new ATOM 0 HB2 LEU A 74 4.370 -3.026 2.205 1.00 32.14 H new ATOM 0 HB3 LEU A 74 3.110 -1.829 1.980 1.00 32.14 H new ATOM 0 HG LEU A 74 1.493 -3.274 3.167 1.00 74.11 H new ATOM 0 HD11 LEU A 74 2.219 -5.289 4.398 1.00 30.42 H new ATOM 0 HD12 LEU A 74 2.357 -5.485 2.635 1.00 30.42 H new ATOM 0 HD13 LEU A 74 3.813 -5.183 3.612 1.00 30.42 H new ATOM 0 HD21 LEU A 74 2.458 -3.061 5.446 1.00 43.41 H new ATOM 0 HD22 LEU A 74 4.060 -2.777 4.726 1.00 43.41 H new ATOM 0 HD23 LEU A 74 2.744 -1.610 4.455 1.00 43.41 H new ATOM 1211 N ILE A 75 0.796 -4.690 0.331 1.00 64.42 N ATOM 1212 CA ILE A 75 -0.649 -4.857 0.209 1.00 23.20 C ATOM 1213 C ILE A 75 -1.242 -5.208 1.576 1.00 53.11 C ATOM 1214 O ILE A 75 -0.859 -6.208 2.200 1.00 5.32 O ATOM 1215 CB ILE A 75 -0.994 -5.965 -0.848 1.00 62.44 C ATOM 1216 CG1 ILE A 75 -0.505 -5.530 -2.265 1.00 62.11 C ATOM 1217 CG2 ILE A 75 -2.504 -6.328 -0.858 1.00 51.35 C ATOM 1218 CD1 ILE A 75 -1.071 -4.204 -2.774 1.00 60.20 C ATOM 0 H ILE A 75 1.310 -5.570 0.276 1.00 64.42 H new ATOM 0 HA ILE A 75 -1.086 -3.920 -0.137 1.00 23.20 H new ATOM 0 HB ILE A 75 -0.464 -6.872 -0.557 1.00 62.44 H new ATOM 0 HG12 ILE A 75 0.583 -5.460 -2.250 1.00 62.11 H new ATOM 0 HG13 ILE A 75 -0.764 -6.314 -2.977 1.00 62.11 H new ATOM 0 HG21 ILE A 75 -2.688 -7.099 -1.607 1.00 51.35 H new ATOM 0 HG22 ILE A 75 -2.795 -6.700 0.124 1.00 51.35 H new ATOM 0 HG23 ILE A 75 -3.090 -5.441 -1.099 1.00 51.35 H new ATOM 0 HD11 ILE A 75 -0.669 -3.994 -3.765 1.00 60.20 H new ATOM 0 HD12 ILE A 75 -2.158 -4.269 -2.829 1.00 60.20 H new ATOM 0 HD13 ILE A 75 -0.790 -3.402 -2.091 1.00 60.20 H new ATOM 1230 N LEU A 76 -2.158 -4.357 2.039 1.00 64.52 N ATOM 1231 CA LEU A 76 -2.874 -4.525 3.296 1.00 53.52 C ATOM 1232 C LEU A 76 -4.359 -4.722 2.988 1.00 72.14 C ATOM 1233 O LEU A 76 -4.988 -3.869 2.355 1.00 62.14 O ATOM 1234 CB LEU A 76 -2.634 -3.283 4.197 1.00 20.53 C ATOM 1235 CG LEU A 76 -1.144 -3.027 4.586 1.00 51.31 C ATOM 1236 CD1 LEU A 76 -0.970 -1.700 5.339 1.00 61.23 C ATOM 1237 CD2 LEU A 76 -0.586 -4.205 5.402 1.00 21.41 C ATOM 0 H LEU A 76 -2.427 -3.512 1.535 1.00 64.52 H new ATOM 0 HA LEU A 76 -2.512 -5.400 3.835 1.00 53.52 H new ATOM 0 HB2 LEU A 76 -3.016 -2.401 3.683 1.00 20.53 H new ATOM 0 HB3 LEU A 76 -3.218 -3.398 5.110 1.00 20.53 H new ATOM 0 HG LEU A 76 -0.571 -2.948 3.662 1.00 51.31 H new ATOM 0 HD11 LEU A 76 0.081 -1.560 5.591 1.00 61.23 H new ATOM 0 HD12 LEU A 76 -1.304 -0.877 4.708 1.00 61.23 H new ATOM 0 HD13 LEU A 76 -1.563 -1.720 6.253 1.00 61.23 H new ATOM 0 HD21 LEU A 76 0.454 -4.007 5.663 1.00 21.41 H new ATOM 0 HD22 LEU A 76 -1.172 -4.327 6.313 1.00 21.41 H new ATOM 0 HD23 LEU A 76 -0.643 -5.118 4.809 1.00 21.41 H new ATOM 1249 N SER A 77 -4.902 -5.865 3.412 1.00 41.20 N ATOM 1250 CA SER A 77 -6.313 -6.213 3.212 1.00 15.12 C ATOM 1251 C SER A 77 -6.806 -6.939 4.464 1.00 0.11 C ATOM 1252 O SER A 77 -6.064 -7.736 5.055 1.00 52.13 O ATOM 1253 CB SER A 77 -6.487 -7.109 1.959 1.00 0.51 C ATOM 1254 OG SER A 77 -5.902 -6.516 0.809 1.00 33.15 O ATOM 0 H SER A 77 -4.372 -6.582 3.908 1.00 41.20 H new ATOM 0 HA SER A 77 -6.898 -5.308 3.049 1.00 15.12 H new ATOM 0 HB2 SER A 77 -6.030 -8.082 2.140 1.00 0.51 H new ATOM 0 HB3 SER A 77 -7.548 -7.283 1.780 1.00 0.51 H new ATOM 0 HG SER A 77 -6.390 -5.698 0.579 1.00 33.15 H new ATOM 1260 N SER A 78 -8.040 -6.646 4.874 1.00 54.22 N ATOM 1261 CA SER A 78 -8.678 -7.285 6.030 1.00 54.35 C ATOM 1262 C SER A 78 -9.005 -8.753 5.724 1.00 2.31 C ATOM 1263 O SER A 78 -8.948 -9.619 6.607 1.00 51.03 O ATOM 1264 CB SER A 78 -9.962 -6.516 6.389 1.00 11.02 C ATOM 1265 OG SER A 78 -9.680 -5.147 6.599 1.00 4.32 O ATOM 0 H SER A 78 -8.631 -5.955 4.412 1.00 54.22 H new ATOM 0 HA SER A 78 -7.991 -7.261 6.876 1.00 54.35 H new ATOM 0 HB2 SER A 78 -10.693 -6.623 5.587 1.00 11.02 H new ATOM 0 HB3 SER A 78 -10.409 -6.943 7.287 1.00 11.02 H new ATOM 0 HG SER A 78 -10.508 -4.673 6.825 1.00 4.32 H new ATOM 1271 N ASP A 79 -9.328 -9.011 4.445 1.00 40.31 N ATOM 1272 CA ASP A 79 -9.803 -10.317 3.980 1.00 61.42 C ATOM 1273 C ASP A 79 -8.621 -11.253 3.646 1.00 51.03 C ATOM 1274 O ASP A 79 -7.764 -10.937 2.801 1.00 45.44 O ATOM 1275 CB ASP A 79 -10.731 -10.133 2.761 1.00 33.54 C ATOM 1276 CG ASP A 79 -11.335 -11.450 2.246 1.00 45.44 C ATOM 1277 OD1 ASP A 79 -12.379 -11.894 2.760 1.00 61.11 O ATOM 1278 OD2 ASP A 79 -10.772 -12.049 1.324 1.00 40.04 O ATOM 0 H ASP A 79 -9.265 -8.313 3.704 1.00 40.31 H new ATOM 0 HA ASP A 79 -10.371 -10.788 4.782 1.00 61.42 H new ATOM 0 HB2 ASP A 79 -11.539 -9.452 3.029 1.00 33.54 H new ATOM 0 HB3 ASP A 79 -10.170 -9.660 1.955 1.00 33.54 H new ATOM 1283 N GLU A 80 -8.606 -12.404 4.332 1.00 5.12 N ATOM 1284 CA GLU A 80 -7.564 -13.438 4.205 1.00 74.14 C ATOM 1285 C GLU A 80 -7.519 -14.083 2.809 1.00 50.44 C ATOM 1286 O GLU A 80 -6.450 -14.513 2.367 1.00 11.11 O ATOM 1287 CB GLU A 80 -7.796 -14.533 5.267 1.00 52.50 C ATOM 1288 CG GLU A 80 -9.187 -15.200 5.233 1.00 53.25 C ATOM 1289 CD GLU A 80 -9.351 -16.325 6.265 1.00 34.21 C ATOM 1290 OE1 GLU A 80 -9.500 -17.506 5.869 1.00 33.52 O ATOM 1291 OE2 GLU A 80 -9.319 -16.034 7.478 1.00 34.22 O ATOM 0 H GLU A 80 -9.332 -12.650 5.005 1.00 5.12 H new ATOM 0 HA GLU A 80 -6.605 -12.943 4.359 1.00 74.14 H new ATOM 0 HB2 GLU A 80 -7.038 -15.306 5.140 1.00 52.50 H new ATOM 0 HB3 GLU A 80 -7.645 -14.097 6.254 1.00 52.50 H new ATOM 0 HG2 GLU A 80 -9.950 -14.441 5.410 1.00 53.25 H new ATOM 0 HG3 GLU A 80 -9.364 -15.603 4.236 1.00 53.25 H new ATOM 1298 N ASN A 81 -8.679 -14.167 2.129 1.00 40.23 N ATOM 1299 CA ASN A 81 -8.774 -14.826 0.810 1.00 43.05 C ATOM 1300 C ASN A 81 -8.085 -13.957 -0.253 1.00 10.43 C ATOM 1301 O ASN A 81 -7.524 -14.476 -1.214 1.00 51.30 O ATOM 1302 CB ASN A 81 -10.248 -15.086 0.412 1.00 3.43 C ATOM 1303 CG ASN A 81 -11.055 -15.777 1.508 1.00 14.03 C ATOM 1304 OD1 ASN A 81 -11.083 -17.005 1.602 1.00 62.34 O ATOM 1305 ND2 ASN A 81 -11.711 -14.992 2.355 1.00 11.14 N ATOM 0 H ASN A 81 -9.562 -13.788 2.470 1.00 40.23 H new ATOM 0 HA ASN A 81 -8.272 -15.791 0.874 1.00 43.05 H new ATOM 0 HB2 ASN A 81 -10.723 -14.137 0.164 1.00 3.43 H new ATOM 0 HB3 ASN A 81 -10.271 -15.699 -0.489 1.00 3.43 H new ATOM 0 HD21 ASN A 81 -12.259 -15.403 3.111 1.00 11.14 H new ATOM 0 HD22 ASN A 81 -11.667 -13.978 2.249 1.00 11.14 H new ATOM 1312 N ILE A 82 -8.144 -12.619 -0.053 1.00 22.30 N ATOM 1313 CA ILE A 82 -7.430 -11.644 -0.890 1.00 3.24 C ATOM 1314 C ILE A 82 -5.924 -11.797 -0.668 1.00 13.23 C ATOM 1315 O ILE A 82 -5.191 -12.002 -1.631 1.00 60.44 O ATOM 1316 CB ILE A 82 -7.852 -10.155 -0.594 1.00 5.40 C ATOM 1317 CG1 ILE A 82 -9.365 -9.940 -0.881 1.00 52.44 C ATOM 1318 CG2 ILE A 82 -6.989 -9.149 -1.408 1.00 43.13 C ATOM 1319 CD1 ILE A 82 -9.883 -8.557 -0.538 1.00 13.20 C ATOM 0 H ILE A 82 -8.690 -12.192 0.695 1.00 22.30 H new ATOM 0 HA ILE A 82 -7.695 -11.853 -1.926 1.00 3.24 H new ATOM 0 HB ILE A 82 -7.674 -9.966 0.465 1.00 5.40 H new ATOM 0 HG12 ILE A 82 -9.552 -10.132 -1.938 1.00 52.44 H new ATOM 0 HG13 ILE A 82 -9.936 -10.678 -0.318 1.00 52.44 H new ATOM 0 HG21 ILE A 82 -7.306 -8.131 -1.181 1.00 43.13 H new ATOM 0 HG22 ILE A 82 -5.939 -9.271 -1.141 1.00 43.13 H new ATOM 0 HG23 ILE A 82 -7.117 -9.339 -2.474 1.00 43.13 H new ATOM 0 HD11 ILE A 82 -10.946 -8.499 -0.771 1.00 13.20 H new ATOM 0 HD12 ILE A 82 -9.733 -8.366 0.525 1.00 13.20 H new ATOM 0 HD13 ILE A 82 -9.342 -7.811 -1.121 1.00 13.20 H new ATOM 1331 N ILE A 83 -5.487 -11.731 0.618 1.00 0.52 N ATOM 1332 CA ILE A 83 -4.056 -11.845 0.994 1.00 60.55 C ATOM 1333 C ILE A 83 -3.438 -13.123 0.387 1.00 0.43 C ATOM 1334 O ILE A 83 -2.381 -13.065 -0.238 1.00 61.21 O ATOM 1335 CB ILE A 83 -3.875 -11.819 2.569 1.00 75.20 C ATOM 1336 CG1 ILE A 83 -4.324 -10.433 3.152 1.00 33.01 C ATOM 1337 CG2 ILE A 83 -2.417 -12.150 2.997 1.00 71.04 C ATOM 1338 CD1 ILE A 83 -3.491 -9.235 2.689 1.00 52.34 C ATOM 0 H ILE A 83 -6.111 -11.599 1.414 1.00 0.52 H new ATOM 0 HA ILE A 83 -3.528 -10.983 0.587 1.00 60.55 H new ATOM 0 HB ILE A 83 -4.515 -12.598 2.982 1.00 75.20 H new ATOM 0 HG12 ILE A 83 -5.365 -10.260 2.877 1.00 33.01 H new ATOM 0 HG13 ILE A 83 -4.286 -10.484 4.240 1.00 33.01 H new ATOM 0 HG21 ILE A 83 -2.341 -12.120 4.084 1.00 71.04 H new ATOM 0 HG22 ILE A 83 -2.151 -13.145 2.642 1.00 71.04 H new ATOM 0 HG23 ILE A 83 -1.736 -11.417 2.566 1.00 71.04 H new ATOM 0 HD11 ILE A 83 -3.879 -8.324 3.145 1.00 52.34 H new ATOM 0 HD12 ILE A 83 -2.452 -9.377 2.988 1.00 52.34 H new ATOM 0 HD13 ILE A 83 -3.548 -9.150 1.604 1.00 52.34 H new ATOM 1350 N GLU A 84 -4.168 -14.249 0.523 1.00 20.35 N ATOM 1351 CA GLU A 84 -3.776 -15.549 -0.046 1.00 52.45 C ATOM 1352 C GLU A 84 -3.627 -15.469 -1.576 1.00 41.14 C ATOM 1353 O GLU A 84 -2.590 -15.874 -2.108 1.00 2.03 O ATOM 1354 CB GLU A 84 -4.800 -16.649 0.325 1.00 65.15 C ATOM 1355 CG GLU A 84 -4.434 -18.044 -0.225 1.00 51.42 C ATOM 1356 CD GLU A 84 -5.457 -19.128 0.129 1.00 24.32 C ATOM 1357 OE1 GLU A 84 -6.495 -19.212 -0.558 1.00 4.41 O ATOM 1358 OE2 GLU A 84 -5.224 -19.918 1.077 1.00 30.35 O ATOM 0 H GLU A 84 -5.050 -14.279 1.034 1.00 20.35 H new ATOM 0 HA GLU A 84 -2.808 -15.810 0.382 1.00 52.45 H new ATOM 0 HB2 GLU A 84 -4.883 -16.706 1.410 1.00 65.15 H new ATOM 0 HB3 GLU A 84 -5.781 -16.364 -0.055 1.00 65.15 H new ATOM 0 HG2 GLU A 84 -4.339 -17.985 -1.309 1.00 51.42 H new ATOM 0 HG3 GLU A 84 -3.459 -18.335 0.165 1.00 51.42 H new ATOM 1365 N SER A 85 -4.668 -14.935 -2.259 1.00 73.02 N ATOM 1366 CA SER A 85 -4.678 -14.772 -3.730 1.00 33.12 C ATOM 1367 C SER A 85 -3.462 -13.974 -4.219 1.00 74.23 C ATOM 1368 O SER A 85 -2.822 -14.335 -5.203 1.00 2.55 O ATOM 1369 CB SER A 85 -5.967 -14.062 -4.192 1.00 75.23 C ATOM 1370 OG SER A 85 -7.117 -14.819 -3.869 1.00 10.23 O ATOM 0 H SER A 85 -5.521 -14.607 -1.806 1.00 73.02 H new ATOM 0 HA SER A 85 -4.636 -15.772 -4.162 1.00 33.12 H new ATOM 0 HB2 SER A 85 -6.032 -13.080 -3.722 1.00 75.23 H new ATOM 0 HB3 SER A 85 -5.928 -13.898 -5.269 1.00 75.23 H new ATOM 0 HG SER A 85 -7.272 -14.782 -2.902 1.00 10.23 H new ATOM 1376 N ILE A 86 -3.160 -12.897 -3.495 1.00 3.22 N ATOM 1377 CA ILE A 86 -2.096 -11.965 -3.852 1.00 0.12 C ATOM 1378 C ILE A 86 -0.709 -12.603 -3.622 1.00 14.33 C ATOM 1379 O ILE A 86 0.215 -12.336 -4.382 1.00 53.24 O ATOM 1380 CB ILE A 86 -2.277 -10.601 -3.076 1.00 54.41 C ATOM 1381 CG1 ILE A 86 -3.650 -9.937 -3.439 1.00 73.00 C ATOM 1382 CG2 ILE A 86 -1.124 -9.618 -3.347 1.00 20.53 C ATOM 1383 CD1 ILE A 86 -3.878 -9.682 -4.926 1.00 72.30 C ATOM 0 H ILE A 86 -3.652 -12.646 -2.637 1.00 3.22 H new ATOM 0 HA ILE A 86 -2.161 -11.738 -4.916 1.00 0.12 H new ATOM 0 HB ILE A 86 -2.263 -10.836 -2.012 1.00 54.41 H new ATOM 0 HG12 ILE A 86 -4.453 -10.575 -3.069 1.00 73.00 H new ATOM 0 HG13 ILE A 86 -3.728 -8.988 -2.908 1.00 73.00 H new ATOM 0 HG21 ILE A 86 -1.294 -8.696 -2.792 1.00 20.53 H new ATOM 0 HG22 ILE A 86 -0.182 -10.065 -3.029 1.00 20.53 H new ATOM 0 HG23 ILE A 86 -1.078 -9.396 -4.413 1.00 20.53 H new ATOM 0 HD11 ILE A 86 -4.855 -9.221 -5.070 1.00 72.30 H new ATOM 0 HD12 ILE A 86 -3.103 -9.015 -5.304 1.00 72.30 H new ATOM 0 HD13 ILE A 86 -3.839 -10.627 -5.467 1.00 72.30 H new ATOM 1395 N ARG A 87 -0.586 -13.491 -2.611 1.00 63.02 N ATOM 1396 CA ARG A 87 0.675 -14.224 -2.348 1.00 62.50 C ATOM 1397 C ARG A 87 0.921 -15.310 -3.415 1.00 43.31 C ATOM 1398 O ARG A 87 2.026 -15.419 -3.954 1.00 41.34 O ATOM 1399 CB ARG A 87 0.675 -14.873 -0.933 1.00 45.55 C ATOM 1400 CG ARG A 87 0.605 -13.868 0.234 1.00 15.42 C ATOM 1401 CD ARG A 87 0.932 -14.491 1.608 1.00 31.03 C ATOM 1402 NE ARG A 87 0.007 -15.572 2.010 1.00 72.51 N ATOM 1403 CZ ARG A 87 -0.158 -16.019 3.278 1.00 73.44 C ATOM 1404 NH1 ARG A 87 0.523 -15.484 4.294 1.00 34.45 N ATOM 1405 NH2 ARG A 87 -0.995 -17.025 3.517 1.00 14.43 N ATOM 0 H ARG A 87 -1.342 -13.718 -1.965 1.00 63.02 H new ATOM 0 HA ARG A 87 1.482 -13.493 -2.394 1.00 62.50 H new ATOM 0 HB2 ARG A 87 -0.173 -15.554 -0.860 1.00 45.55 H new ATOM 0 HB3 ARG A 87 1.577 -15.475 -0.824 1.00 45.55 H new ATOM 0 HG2 ARG A 87 1.300 -13.051 0.041 1.00 15.42 H new ATOM 0 HG3 ARG A 87 -0.395 -13.435 0.270 1.00 15.42 H new ATOM 0 HD2 ARG A 87 1.948 -14.885 1.585 1.00 31.03 H new ATOM 0 HD3 ARG A 87 0.911 -13.708 2.366 1.00 31.03 H new ATOM 0 HE ARG A 87 -0.548 -16.014 1.278 1.00 72.51 H new ATOM 0 HH11 ARG A 87 1.182 -14.724 4.123 1.00 34.45 H new ATOM 0 HH12 ARG A 87 0.384 -15.835 5.242 1.00 34.45 H new ATOM 0 HH21 ARG A 87 -1.508 -17.455 2.748 1.00 14.43 H new ATOM 0 HH22 ARG A 87 -1.124 -17.366 4.470 1.00 14.43 H new ATOM 1419 N LYS A 88 -0.124 -16.103 -3.720 1.00 33.41 N ATOM 1420 CA LYS A 88 0.007 -17.295 -4.586 1.00 34.25 C ATOM 1421 C LYS A 88 0.159 -16.909 -6.071 1.00 4.35 C ATOM 1422 O LYS A 88 0.814 -17.624 -6.832 1.00 34.31 O ATOM 1423 CB LYS A 88 -1.178 -18.274 -4.385 1.00 40.43 C ATOM 1424 CG LYS A 88 -2.558 -17.740 -4.828 1.00 44.25 C ATOM 1425 CD LYS A 88 -3.697 -18.765 -4.626 1.00 20.12 C ATOM 1426 CE LYS A 88 -3.518 -20.043 -5.471 1.00 72.41 C ATOM 1427 NZ LYS A 88 -4.660 -20.986 -5.309 1.00 32.33 N ATOM 0 H LYS A 88 -1.072 -15.941 -3.379 1.00 33.41 H new ATOM 0 HA LYS A 88 0.920 -17.809 -4.286 1.00 34.25 H new ATOM 0 HB2 LYS A 88 -0.968 -19.191 -4.936 1.00 40.43 H new ATOM 0 HB3 LYS A 88 -1.232 -18.541 -3.330 1.00 40.43 H new ATOM 0 HG2 LYS A 88 -2.788 -16.835 -4.266 1.00 44.25 H new ATOM 0 HG3 LYS A 88 -2.512 -17.459 -5.880 1.00 44.25 H new ATOM 0 HD2 LYS A 88 -3.749 -19.038 -3.572 1.00 20.12 H new ATOM 0 HD3 LYS A 88 -4.648 -18.298 -4.882 1.00 20.12 H new ATOM 0 HE2 LYS A 88 -3.419 -19.771 -6.522 1.00 72.41 H new ATOM 0 HE3 LYS A 88 -2.593 -20.542 -5.182 1.00 72.41 H new ATOM 0 HZ1 LYS A 88 -4.499 -21.831 -5.894 1.00 32.33 H new ATOM 0 HZ2 LYS A 88 -4.740 -21.266 -4.311 1.00 32.33 H new ATOM 0 HZ3 LYS A 88 -5.540 -20.520 -5.609 1.00 32.33 H new ATOM 1441 N GLN A 89 -0.454 -15.784 -6.480 1.00 20.24 N ATOM 1442 CA GLN A 89 -0.328 -15.257 -7.857 1.00 64.10 C ATOM 1443 C GLN A 89 0.928 -14.382 -7.990 1.00 3.41 C ATOM 1444 O GLN A 89 1.675 -14.503 -8.966 1.00 64.22 O ATOM 1445 CB GLN A 89 -1.594 -14.448 -8.252 1.00 15.40 C ATOM 1446 CG GLN A 89 -2.897 -15.271 -8.263 1.00 41.13 C ATOM 1447 CD GLN A 89 -4.126 -14.432 -8.625 1.00 45.04 C ATOM 1448 OE1 GLN A 89 -4.498 -14.322 -9.792 1.00 13.33 O ATOM 1449 NE2 GLN A 89 -4.758 -13.823 -7.631 1.00 40.53 N ATOM 0 H GLN A 89 -1.046 -15.216 -5.874 1.00 20.24 H new ATOM 0 HA GLN A 89 -0.233 -16.104 -8.537 1.00 64.10 H new ATOM 0 HB2 GLN A 89 -1.710 -13.616 -7.558 1.00 15.40 H new ATOM 0 HB3 GLN A 89 -1.442 -14.018 -9.242 1.00 15.40 H new ATOM 0 HG2 GLN A 89 -2.798 -16.089 -8.976 1.00 41.13 H new ATOM 0 HG3 GLN A 89 -3.046 -15.720 -7.281 1.00 41.13 H new ATOM 0 HE21 GLN A 89 -4.426 -13.933 -6.673 1.00 40.53 H new ATOM 0 HE22 GLN A 89 -5.576 -13.245 -7.825 1.00 40.53 H new ATOM 1458 N TYR A 90 1.154 -13.497 -6.999 1.00 22.11 N ATOM 1459 CA TYR A 90 2.304 -12.572 -6.990 1.00 35.14 C ATOM 1460 C TYR A 90 3.224 -12.943 -5.804 1.00 44.20 C ATOM 1461 O TYR A 90 2.937 -12.575 -4.665 1.00 50.30 O ATOM 1462 CB TYR A 90 1.812 -11.095 -6.880 1.00 61.10 C ATOM 1463 CG TYR A 90 0.637 -10.733 -7.812 1.00 34.31 C ATOM 1464 CD1 TYR A 90 0.847 -10.397 -9.153 1.00 32.42 C ATOM 1465 CD2 TYR A 90 -0.689 -10.743 -7.349 1.00 60.21 C ATOM 1466 CE1 TYR A 90 -0.214 -10.071 -9.984 1.00 15.14 C ATOM 1467 CE2 TYR A 90 -1.747 -10.420 -8.180 1.00 62.33 C ATOM 1468 CZ TYR A 90 -1.504 -10.090 -9.498 1.00 41.50 C ATOM 1469 OH TYR A 90 -2.557 -9.775 -10.334 1.00 11.33 O ATOM 0 H TYR A 90 0.547 -13.404 -6.185 1.00 22.11 H new ATOM 0 HA TYR A 90 2.863 -12.661 -7.921 1.00 35.14 H new ATOM 0 HB2 TYR A 90 1.513 -10.902 -5.850 1.00 61.10 H new ATOM 0 HB3 TYR A 90 2.648 -10.431 -7.098 1.00 61.10 H new ATOM 0 HD1 TYR A 90 1.852 -10.391 -9.548 1.00 32.42 H new ATOM 0 HD2 TYR A 90 -0.887 -11.009 -6.321 1.00 60.21 H new ATOM 0 HE1 TYR A 90 -0.030 -9.802 -11.014 1.00 15.14 H new ATOM 0 HE2 TYR A 90 -2.758 -10.426 -7.799 1.00 62.33 H new ATOM 0 HH TYR A 90 -3.358 -10.261 -10.048 1.00 11.33 H new ATOM 1479 N PRO A 91 4.302 -13.747 -6.027 1.00 23.40 N ATOM 1480 CA PRO A 91 5.256 -14.107 -4.946 1.00 22.44 C ATOM 1481 C PRO A 91 6.065 -12.894 -4.435 1.00 53.30 C ATOM 1482 O PRO A 91 6.328 -12.756 -3.232 1.00 42.11 O ATOM 1483 CB PRO A 91 6.191 -15.164 -5.608 1.00 45.11 C ATOM 1484 CG PRO A 91 5.495 -15.587 -6.871 1.00 12.51 C ATOM 1485 CD PRO A 91 4.651 -14.409 -7.309 1.00 23.35 C ATOM 0 HA PRO A 91 4.739 -14.482 -4.063 1.00 22.44 H new ATOM 0 HB2 PRO A 91 7.171 -14.739 -5.824 1.00 45.11 H new ATOM 0 HB3 PRO A 91 6.352 -16.015 -4.946 1.00 45.11 H new ATOM 0 HG2 PRO A 91 6.218 -15.855 -7.642 1.00 12.51 H new ATOM 0 HG3 PRO A 91 4.874 -16.466 -6.697 1.00 12.51 H new ATOM 0 HD2 PRO A 91 5.204 -13.741 -7.970 1.00 23.35 H new ATOM 0 HD3 PRO A 91 3.762 -14.730 -7.852 1.00 23.35 H new ATOM 1493 N LYS A 92 6.429 -12.023 -5.382 1.00 34.41 N ATOM 1494 CA LYS A 92 7.383 -10.910 -5.167 1.00 52.11 C ATOM 1495 C LYS A 92 6.790 -9.705 -4.394 1.00 74.41 C ATOM 1496 O LYS A 92 7.507 -8.730 -4.142 1.00 44.24 O ATOM 1497 CB LYS A 92 7.916 -10.448 -6.547 1.00 54.24 C ATOM 1498 CG LYS A 92 8.587 -11.574 -7.369 1.00 54.13 C ATOM 1499 CD LYS A 92 9.089 -11.084 -8.748 1.00 63.53 C ATOM 1500 CE LYS A 92 9.793 -12.193 -9.547 1.00 24.55 C ATOM 1501 NZ LYS A 92 10.264 -11.707 -10.872 1.00 24.13 N ATOM 0 H LYS A 92 6.069 -12.065 -6.335 1.00 34.41 H new ATOM 0 HA LYS A 92 8.186 -11.292 -4.536 1.00 52.11 H new ATOM 0 HB2 LYS A 92 7.090 -10.033 -7.124 1.00 54.24 H new ATOM 0 HB3 LYS A 92 8.636 -9.643 -6.397 1.00 54.24 H new ATOM 0 HG2 LYS A 92 9.426 -11.981 -6.804 1.00 54.13 H new ATOM 0 HG3 LYS A 92 7.876 -12.387 -7.513 1.00 54.13 H new ATOM 0 HD2 LYS A 92 8.245 -10.705 -9.325 1.00 63.53 H new ATOM 0 HD3 LYS A 92 9.777 -10.251 -8.605 1.00 63.53 H new ATOM 0 HE2 LYS A 92 10.641 -12.570 -8.976 1.00 24.55 H new ATOM 0 HE3 LYS A 92 9.108 -13.029 -9.689 1.00 24.55 H new ATOM 0 HZ1 LYS A 92 10.733 -12.484 -11.380 1.00 24.13 H new ATOM 0 HZ2 LYS A 92 9.451 -11.371 -11.427 1.00 24.13 H new ATOM 0 HZ3 LYS A 92 10.937 -10.926 -10.736 1.00 24.13 H new ATOM 1515 N VAL A 93 5.501 -9.755 -4.045 1.00 31.24 N ATOM 1516 CA VAL A 93 4.839 -8.674 -3.283 1.00 10.31 C ATOM 1517 C VAL A 93 4.972 -8.916 -1.765 1.00 52.11 C ATOM 1518 O VAL A 93 5.040 -10.066 -1.309 1.00 11.42 O ATOM 1519 CB VAL A 93 3.315 -8.557 -3.685 1.00 40.25 C ATOM 1520 CG1 VAL A 93 2.527 -9.836 -3.337 1.00 1.33 C ATOM 1521 CG2 VAL A 93 2.638 -7.317 -3.060 1.00 50.14 C ATOM 0 H VAL A 93 4.886 -10.535 -4.277 1.00 31.24 H new ATOM 0 HA VAL A 93 5.335 -7.736 -3.530 1.00 10.31 H new ATOM 0 HB VAL A 93 3.297 -8.434 -4.768 1.00 40.25 H new ATOM 0 HG11 VAL A 93 1.484 -9.712 -3.630 1.00 1.33 H new ATOM 0 HG12 VAL A 93 2.956 -10.684 -3.871 1.00 1.33 H new ATOM 0 HG13 VAL A 93 2.583 -10.017 -2.264 1.00 1.33 H new ATOM 0 HG21 VAL A 93 1.592 -7.281 -3.366 1.00 50.14 H new ATOM 0 HG22 VAL A 93 2.697 -7.379 -1.973 1.00 50.14 H new ATOM 0 HG23 VAL A 93 3.147 -6.415 -3.400 1.00 50.14 H new ATOM 1531 N GLU A 94 5.051 -7.828 -0.997 1.00 5.53 N ATOM 1532 CA GLU A 94 4.883 -7.860 0.459 1.00 3.52 C ATOM 1533 C GLU A 94 3.391 -7.767 0.767 1.00 74.25 C ATOM 1534 O GLU A 94 2.744 -6.819 0.343 1.00 4.25 O ATOM 1535 CB GLU A 94 5.631 -6.672 1.132 1.00 64.53 C ATOM 1536 CG GLU A 94 7.129 -6.891 1.384 1.00 71.45 C ATOM 1537 CD GLU A 94 7.936 -7.357 0.164 1.00 24.22 C ATOM 1538 OE1 GLU A 94 8.149 -6.550 -0.760 1.00 4.03 O ATOM 1539 OE2 GLU A 94 8.395 -8.527 0.149 1.00 4.45 O ATOM 0 H GLU A 94 5.234 -6.896 -1.368 1.00 5.53 H new ATOM 0 HA GLU A 94 5.302 -8.786 0.852 1.00 3.52 H new ATOM 0 HB2 GLU A 94 5.511 -5.788 0.505 1.00 64.53 H new ATOM 0 HB3 GLU A 94 5.148 -6.455 2.085 1.00 64.53 H new ATOM 0 HG2 GLU A 94 7.560 -5.959 1.750 1.00 71.45 H new ATOM 0 HG3 GLU A 94 7.243 -7.628 2.178 1.00 71.45 H new ATOM 1546 N THR A 95 2.835 -8.762 1.459 1.00 64.40 N ATOM 1547 CA THR A 95 1.458 -8.691 1.971 1.00 34.33 C ATOM 1548 C THR A 95 1.471 -8.811 3.493 1.00 50.44 C ATOM 1549 O THR A 95 2.426 -9.335 4.086 1.00 64.20 O ATOM 1550 CB THR A 95 0.546 -9.809 1.375 1.00 22.10 C ATOM 1551 OG1 THR A 95 1.086 -11.093 1.695 1.00 31.34 O ATOM 1552 CG2 THR A 95 0.392 -9.683 -0.147 1.00 13.41 C ATOM 0 H THR A 95 3.317 -9.633 1.681 1.00 64.40 H new ATOM 0 HA THR A 95 1.047 -7.729 1.666 1.00 34.33 H new ATOM 0 HB THR A 95 -0.443 -9.694 1.818 1.00 22.10 H new ATOM 0 HG1 THR A 95 0.433 -11.600 2.221 1.00 31.34 H new ATOM 0 HG21 THR A 95 -0.251 -10.483 -0.515 1.00 13.41 H new ATOM 0 HG22 THR A 95 -0.054 -8.718 -0.389 1.00 13.41 H new ATOM 0 HG23 THR A 95 1.371 -9.758 -0.619 1.00 13.41 H new ATOM 1560 N ARG A 96 0.418 -8.292 4.106 1.00 53.31 N ATOM 1561 CA ARG A 96 0.126 -8.473 5.520 1.00 34.02 C ATOM 1562 C ARG A 96 -1.372 -8.269 5.696 1.00 62.22 C ATOM 1563 O ARG A 96 -1.926 -7.266 5.216 1.00 1.04 O ATOM 1564 CB ARG A 96 0.914 -7.463 6.398 1.00 31.23 C ATOM 1565 CG ARG A 96 0.653 -7.588 7.926 1.00 22.54 C ATOM 1566 CD ARG A 96 1.121 -6.343 8.698 1.00 53.51 C ATOM 1567 NE ARG A 96 1.016 -6.463 10.165 1.00 13.13 N ATOM 1568 CZ ARG A 96 -0.119 -6.440 10.892 1.00 22.42 C ATOM 1569 NH1 ARG A 96 -1.314 -6.327 10.325 1.00 14.12 N ATOM 1570 NH2 ARG A 96 -0.037 -6.491 12.217 1.00 43.33 N ATOM 0 H ARG A 96 -0.274 -7.719 3.622 1.00 53.31 H new ATOM 0 HA ARG A 96 0.429 -9.470 5.839 1.00 34.02 H new ATOM 0 HB2 ARG A 96 1.980 -7.596 6.213 1.00 31.23 H new ATOM 0 HB3 ARG A 96 0.660 -6.452 6.081 1.00 31.23 H new ATOM 0 HG2 ARG A 96 -0.412 -7.742 8.100 1.00 22.54 H new ATOM 0 HG3 ARG A 96 1.169 -8.468 8.311 1.00 22.54 H new ATOM 0 HD2 ARG A 96 2.158 -6.136 8.435 1.00 53.51 H new ATOM 0 HD3 ARG A 96 0.532 -5.485 8.372 1.00 53.51 H new ATOM 0 HE ARG A 96 1.889 -6.574 10.680 1.00 13.13 H new ATOM 0 HH11 ARG A 96 -1.392 -6.254 9.311 1.00 14.12 H new ATOM 0 HH12 ARG A 96 -2.154 -6.313 10.904 1.00 14.12 H new ATOM 0 HH21 ARG A 96 0.875 -6.547 12.670 1.00 43.33 H new ATOM 0 HH22 ARG A 96 -0.886 -6.474 12.782 1.00 43.33 H new ATOM 1584 N ARG A 97 -2.035 -9.236 6.332 1.00 44.44 N ATOM 1585 CA ARG A 97 -3.432 -9.098 6.731 1.00 42.32 C ATOM 1586 C ARG A 97 -3.520 -7.963 7.762 1.00 52.44 C ATOM 1587 O ARG A 97 -2.900 -8.039 8.825 1.00 62.41 O ATOM 1588 CB ARG A 97 -3.979 -10.412 7.332 1.00 1.11 C ATOM 1589 CG ARG A 97 -5.509 -10.432 7.550 1.00 32.51 C ATOM 1590 CD ARG A 97 -5.973 -11.595 8.445 1.00 12.14 C ATOM 1591 NE ARG A 97 -5.436 -12.905 8.023 1.00 13.11 N ATOM 1592 CZ ARG A 97 -6.033 -14.092 8.208 1.00 11.34 C ATOM 1593 NH1 ARG A 97 -7.228 -14.183 8.804 1.00 73.44 N ATOM 1594 NH2 ARG A 97 -5.418 -15.190 7.793 1.00 3.13 N ATOM 0 H ARG A 97 -1.619 -10.133 6.583 1.00 44.44 H new ATOM 0 HA ARG A 97 -4.039 -8.869 5.855 1.00 42.32 H new ATOM 0 HB2 ARG A 97 -3.708 -11.238 6.674 1.00 1.11 H new ATOM 0 HB3 ARG A 97 -3.487 -10.592 8.288 1.00 1.11 H new ATOM 0 HG2 ARG A 97 -5.819 -9.489 8.000 1.00 32.51 H new ATOM 0 HG3 ARG A 97 -6.007 -10.503 6.583 1.00 32.51 H new ATOM 0 HD2 ARG A 97 -5.667 -11.398 9.473 1.00 12.14 H new ATOM 0 HD3 ARG A 97 -7.062 -11.637 8.439 1.00 12.14 H new ATOM 0 HE ARG A 97 -4.532 -12.907 7.550 1.00 13.11 H new ATOM 0 HH11 ARG A 97 -7.702 -13.340 9.127 1.00 73.44 H new ATOM 0 HH12 ARG A 97 -7.664 -15.096 8.935 1.00 73.44 H new ATOM 0 HH21 ARG A 97 -4.506 -15.124 7.341 1.00 3.13 H new ATOM 0 HH22 ARG A 97 -5.857 -16.101 7.925 1.00 3.13 H new ATOM 1608 N ALA A 98 -4.261 -6.914 7.423 1.00 14.11 N ATOM 1609 CA ALA A 98 -4.429 -5.741 8.276 1.00 33.32 C ATOM 1610 C ALA A 98 -5.910 -5.422 8.303 1.00 74.04 C ATOM 1611 O ALA A 98 -6.459 -4.930 7.314 1.00 30.13 O ATOM 1612 CB ALA A 98 -3.599 -4.559 7.747 1.00 63.22 C ATOM 0 H ALA A 98 -4.767 -6.852 6.540 1.00 14.11 H new ATOM 0 HA ALA A 98 -4.071 -5.936 9.287 1.00 33.32 H new ATOM 0 HB1 ALA A 98 -3.739 -3.696 8.398 1.00 63.22 H new ATOM 0 HB2 ALA A 98 -2.544 -4.834 7.731 1.00 63.22 H new ATOM 0 HB3 ALA A 98 -3.925 -4.309 6.737 1.00 63.22 H new ATOM 1618 N GLN A 99 -6.548 -5.748 9.421 1.00 63.24 N ATOM 1619 CA GLN A 99 -7.992 -5.595 9.591 1.00 55.41 C ATOM 1620 C GLN A 99 -8.294 -4.158 10.007 1.00 22.04 C ATOM 1621 O GLN A 99 -8.976 -3.423 9.288 1.00 43.42 O ATOM 1622 CB GLN A 99 -8.514 -6.618 10.633 1.00 1.31 C ATOM 1623 CG GLN A 99 -8.232 -8.091 10.263 1.00 33.13 C ATOM 1624 CD GLN A 99 -8.515 -9.057 11.416 1.00 10.01 C ATOM 1625 OE1 GLN A 99 -9.621 -9.583 11.556 1.00 14.45 O ATOM 1626 NE2 GLN A 99 -7.523 -9.275 12.266 1.00 31.32 N ATOM 0 H GLN A 99 -6.077 -6.129 10.242 1.00 63.24 H new ATOM 0 HA GLN A 99 -8.506 -5.796 8.651 1.00 55.41 H new ATOM 0 HB2 GLN A 99 -8.057 -6.403 11.599 1.00 1.31 H new ATOM 0 HB3 GLN A 99 -9.589 -6.483 10.752 1.00 1.31 H new ATOM 0 HG2 GLN A 99 -8.843 -8.369 9.404 1.00 33.13 H new ATOM 0 HG3 GLN A 99 -7.190 -8.191 9.958 1.00 33.13 H new ATOM 0 HE21 GLN A 99 -6.619 -8.824 12.122 1.00 31.32 H new ATOM 0 HE22 GLN A 99 -7.663 -9.894 13.065 1.00 31.32 H new ATOM 1635 N ASP A 100 -7.738 -3.754 11.155 1.00 44.05 N ATOM 1636 CA ASP A 100 -7.976 -2.416 11.719 1.00 12.02 C ATOM 1637 C ASP A 100 -6.886 -1.432 11.241 1.00 45.44 C ATOM 1638 O ASP A 100 -5.789 -1.844 10.835 1.00 14.25 O ATOM 1639 CB ASP A 100 -8.025 -2.492 13.272 1.00 43.03 C ATOM 1640 CG ASP A 100 -8.604 -1.219 13.928 1.00 31.31 C ATOM 1641 OD1 ASP A 100 -9.837 -1.008 13.876 1.00 70.22 O ATOM 1642 OD2 ASP A 100 -7.833 -0.413 14.483 1.00 74.45 O ATOM 0 H ASP A 100 -7.116 -4.337 11.716 1.00 44.05 H new ATOM 0 HA ASP A 100 -8.939 -2.046 11.367 1.00 12.02 H new ATOM 0 HB2 ASP A 100 -8.627 -3.351 13.568 1.00 43.03 H new ATOM 0 HB3 ASP A 100 -7.018 -2.663 13.652 1.00 43.03 H new ATOM 1647 N LYS A 101 -7.225 -0.137 11.311 1.00 13.22 N ATOM 1648 CA LYS A 101 -6.361 1.013 10.957 1.00 74.32 C ATOM 1649 C LYS A 101 -4.994 0.982 11.687 1.00 72.52 C ATOM 1650 O LYS A 101 -3.989 1.460 11.146 1.00 31.21 O ATOM 1651 CB LYS A 101 -7.131 2.306 11.336 1.00 42.13 C ATOM 1652 CG LYS A 101 -7.457 2.375 12.838 1.00 21.15 C ATOM 1653 CD LYS A 101 -8.413 3.494 13.248 1.00 43.03 C ATOM 1654 CE LYS A 101 -8.737 3.393 14.746 1.00 21.03 C ATOM 1655 NZ LYS A 101 -9.486 2.146 15.072 1.00 54.33 N ATOM 0 H LYS A 101 -8.148 0.157 11.629 1.00 13.22 H new ATOM 0 HA LYS A 101 -6.140 0.972 9.890 1.00 74.32 H new ATOM 0 HB2 LYS A 101 -6.536 3.175 11.056 1.00 42.13 H new ATOM 0 HB3 LYS A 101 -8.057 2.355 10.763 1.00 42.13 H new ATOM 0 HG2 LYS A 101 -7.888 1.421 13.144 1.00 21.15 H new ATOM 0 HG3 LYS A 101 -6.525 2.495 13.390 1.00 21.15 H new ATOM 0 HD2 LYS A 101 -7.965 4.463 13.030 1.00 43.03 H new ATOM 0 HD3 LYS A 101 -9.332 3.429 12.665 1.00 43.03 H new ATOM 0 HE2 LYS A 101 -7.811 3.420 15.320 1.00 21.03 H new ATOM 0 HE3 LYS A 101 -9.325 4.259 15.049 1.00 21.03 H new ATOM 0 HZ1 LYS A 101 -9.889 2.223 16.028 1.00 54.33 H new ATOM 0 HZ2 LYS A 101 -10.253 2.011 14.383 1.00 54.33 H new ATOM 0 HZ3 LYS A 101 -8.839 1.332 15.033 1.00 54.33 H new ATOM 1669 N GLU A 102 -4.981 0.417 12.918 1.00 61.23 N ATOM 1670 CA GLU A 102 -3.766 0.324 13.736 1.00 1.54 C ATOM 1671 C GLU A 102 -2.749 -0.601 13.059 1.00 55.05 C ATOM 1672 O GLU A 102 -1.588 -0.245 12.911 1.00 50.04 O ATOM 1673 CB GLU A 102 -4.087 -0.136 15.186 1.00 72.22 C ATOM 1674 CG GLU A 102 -4.867 -1.458 15.290 1.00 32.30 C ATOM 1675 CD GLU A 102 -5.038 -1.946 16.732 1.00 12.44 C ATOM 1676 OE1 GLU A 102 -4.197 -2.729 17.207 1.00 35.11 O ATOM 1677 OE2 GLU A 102 -6.005 -1.530 17.404 1.00 73.42 O ATOM 0 H GLU A 102 -5.809 0.019 13.361 1.00 61.23 H new ATOM 0 HA GLU A 102 -3.325 1.318 13.815 1.00 1.54 H new ATOM 0 HB2 GLU A 102 -3.151 -0.240 15.734 1.00 72.22 H new ATOM 0 HB3 GLU A 102 -4.661 0.647 15.681 1.00 72.22 H new ATOM 0 HG2 GLU A 102 -5.850 -1.329 14.838 1.00 32.30 H new ATOM 0 HG3 GLU A 102 -4.349 -2.224 14.713 1.00 32.30 H new ATOM 1684 N GLU A 103 -3.247 -1.751 12.575 1.00 53.22 N ATOM 1685 CA GLU A 103 -2.439 -2.754 11.875 1.00 31.15 C ATOM 1686 C GLU A 103 -1.873 -2.207 10.558 1.00 2.33 C ATOM 1687 O GLU A 103 -0.818 -2.647 10.100 1.00 3.31 O ATOM 1688 CB GLU A 103 -3.286 -4.006 11.597 1.00 2.24 C ATOM 1689 CG GLU A 103 -3.896 -4.652 12.846 1.00 52.53 C ATOM 1690 CD GLU A 103 -4.494 -6.015 12.527 1.00 22.15 C ATOM 1691 OE1 GLU A 103 -5.730 -6.137 12.387 1.00 30.14 O ATOM 1692 OE2 GLU A 103 -3.708 -6.971 12.368 1.00 5.22 O ATOM 0 H GLU A 103 -4.230 -2.009 12.661 1.00 53.22 H new ATOM 0 HA GLU A 103 -1.598 -3.013 12.519 1.00 31.15 H new ATOM 0 HB2 GLU A 103 -4.091 -3.740 10.912 1.00 2.24 H new ATOM 0 HB3 GLU A 103 -2.665 -4.744 11.089 1.00 2.24 H new ATOM 0 HG2 GLU A 103 -3.130 -4.759 13.614 1.00 52.53 H new ATOM 0 HG3 GLU A 103 -4.668 -4.000 13.255 1.00 52.53 H new ATOM 1699 N VAL A 104 -2.605 -1.254 9.960 1.00 22.44 N ATOM 1700 CA VAL A 104 -2.190 -0.588 8.728 1.00 22.40 C ATOM 1701 C VAL A 104 -0.961 0.295 8.998 1.00 25.22 C ATOM 1702 O VAL A 104 0.098 0.069 8.412 1.00 73.42 O ATOM 1703 CB VAL A 104 -3.353 0.280 8.122 1.00 11.03 C ATOM 1704 CG1 VAL A 104 -2.921 0.962 6.803 1.00 73.54 C ATOM 1705 CG2 VAL A 104 -4.630 -0.568 7.919 1.00 41.42 C ATOM 0 H VAL A 104 -3.501 -0.927 10.322 1.00 22.44 H new ATOM 0 HA VAL A 104 -1.933 -1.358 8.000 1.00 22.40 H new ATOM 0 HB VAL A 104 -3.584 1.069 8.838 1.00 11.03 H new ATOM 0 HG11 VAL A 104 -3.748 1.554 6.411 1.00 73.54 H new ATOM 0 HG12 VAL A 104 -2.067 1.613 6.992 1.00 73.54 H new ATOM 0 HG13 VAL A 104 -2.642 0.201 6.074 1.00 73.54 H new ATOM 0 HG21 VAL A 104 -5.418 0.056 7.499 1.00 41.42 H new ATOM 0 HG22 VAL A 104 -4.416 -1.390 7.236 1.00 41.42 H new ATOM 0 HG23 VAL A 104 -4.957 -0.969 8.878 1.00 41.42 H new ATOM 1715 N LYS A 105 -1.112 1.260 9.930 1.00 44.24 N ATOM 1716 CA LYS A 105 -0.064 2.258 10.227 1.00 14.12 C ATOM 1717 C LYS A 105 1.181 1.605 10.870 1.00 13.33 C ATOM 1718 O LYS A 105 2.302 2.063 10.635 1.00 64.32 O ATOM 1719 CB LYS A 105 -0.627 3.403 11.110 1.00 10.12 C ATOM 1720 CG LYS A 105 -1.181 2.957 12.478 1.00 41.25 C ATOM 1721 CD LYS A 105 -1.824 4.114 13.277 1.00 40.43 C ATOM 1722 CE LYS A 105 -2.379 3.645 14.634 1.00 32.43 C ATOM 1723 NZ LYS A 105 -3.050 4.732 15.384 1.00 53.25 N ATOM 0 H LYS A 105 -1.956 1.368 10.493 1.00 44.24 H new ATOM 0 HA LYS A 105 0.258 2.693 9.281 1.00 14.12 H new ATOM 0 HB2 LYS A 105 0.163 4.136 11.276 1.00 10.12 H new ATOM 0 HB3 LYS A 105 -1.421 3.909 10.560 1.00 10.12 H new ATOM 0 HG2 LYS A 105 -1.922 2.173 12.325 1.00 41.25 H new ATOM 0 HG3 LYS A 105 -0.373 2.522 13.066 1.00 41.25 H new ATOM 0 HD2 LYS A 105 -1.083 4.896 13.440 1.00 40.43 H new ATOM 0 HD3 LYS A 105 -2.629 4.555 12.690 1.00 40.43 H new ATOM 0 HE2 LYS A 105 -3.086 2.831 14.471 1.00 32.43 H new ATOM 0 HE3 LYS A 105 -1.564 3.243 15.236 1.00 32.43 H new ATOM 0 HZ1 LYS A 105 -3.314 4.389 16.330 1.00 53.25 H new ATOM 0 HZ2 LYS A 105 -2.403 5.540 15.477 1.00 53.25 H new ATOM 0 HZ3 LYS A 105 -3.905 5.030 14.872 1.00 53.25 H new ATOM 1737 N ASP A 106 0.970 0.546 11.685 1.00 64.25 N ATOM 1738 CA ASP A 106 2.066 -0.313 12.187 1.00 43.24 C ATOM 1739 C ASP A 106 2.861 -0.900 11.019 1.00 62.34 C ATOM 1740 O ASP A 106 4.076 -0.734 10.956 1.00 24.14 O ATOM 1741 CB ASP A 106 1.536 -1.481 13.076 1.00 22.25 C ATOM 1742 CG ASP A 106 1.018 -1.047 14.457 1.00 14.23 C ATOM 1743 OD1 ASP A 106 -0.004 -1.592 14.922 1.00 14.24 O ATOM 1744 OD2 ASP A 106 1.642 -0.175 15.100 1.00 14.11 O ATOM 0 H ASP A 106 0.045 0.265 12.010 1.00 64.25 H new ATOM 0 HA ASP A 106 2.709 0.320 12.798 1.00 43.24 H new ATOM 0 HB2 ASP A 106 0.732 -1.990 12.544 1.00 22.25 H new ATOM 0 HB3 ASP A 106 2.337 -2.208 13.214 1.00 22.25 H new ATOM 1749 N ALA A 107 2.135 -1.548 10.081 1.00 21.41 N ATOM 1750 CA ALA A 107 2.720 -2.213 8.902 1.00 44.53 C ATOM 1751 C ALA A 107 3.462 -1.215 8.000 1.00 3.34 C ATOM 1752 O ALA A 107 4.439 -1.573 7.348 1.00 74.45 O ATOM 1753 CB ALA A 107 1.626 -2.924 8.104 1.00 24.22 C ATOM 0 H ALA A 107 1.119 -1.623 10.124 1.00 21.41 H new ATOM 0 HA ALA A 107 3.445 -2.945 9.258 1.00 44.53 H new ATOM 0 HB1 ALA A 107 2.068 -3.412 7.235 1.00 24.22 H new ATOM 0 HB2 ALA A 107 1.144 -3.672 8.734 1.00 24.22 H new ATOM 0 HB3 ALA A 107 0.885 -2.196 7.773 1.00 24.22 H new ATOM 1759 N VAL A 108 2.959 0.032 7.975 1.00 53.03 N ATOM 1760 CA VAL A 108 3.585 1.152 7.267 1.00 55.01 C ATOM 1761 C VAL A 108 4.979 1.432 7.847 1.00 32.33 C ATOM 1762 O VAL A 108 5.967 1.461 7.110 1.00 23.44 O ATOM 1763 CB VAL A 108 2.673 2.440 7.344 1.00 62.12 C ATOM 1764 CG1 VAL A 108 3.418 3.707 6.874 1.00 61.12 C ATOM 1765 CG2 VAL A 108 1.378 2.238 6.518 1.00 61.30 C ATOM 0 H VAL A 108 2.095 0.289 8.453 1.00 53.03 H new ATOM 0 HA VAL A 108 3.697 0.883 6.217 1.00 55.01 H new ATOM 0 HB VAL A 108 2.408 2.587 8.391 1.00 62.12 H new ATOM 0 HG11 VAL A 108 2.753 4.567 6.944 1.00 61.12 H new ATOM 0 HG12 VAL A 108 4.291 3.871 7.506 1.00 61.12 H new ATOM 0 HG13 VAL A 108 3.737 3.579 5.840 1.00 61.12 H new ATOM 0 HG21 VAL A 108 0.762 3.135 6.582 1.00 61.30 H new ATOM 0 HG22 VAL A 108 1.637 2.049 5.476 1.00 61.30 H new ATOM 0 HG23 VAL A 108 0.823 1.387 6.914 1.00 61.30 H new ATOM 1775 N GLU A 109 5.037 1.578 9.186 1.00 1.53 N ATOM 1776 CA GLU A 109 6.290 1.837 9.914 1.00 53.54 C ATOM 1777 C GLU A 109 7.281 0.678 9.683 1.00 43.21 C ATOM 1778 O GLU A 109 8.453 0.913 9.393 1.00 52.44 O ATOM 1779 CB GLU A 109 6.020 2.037 11.433 1.00 51.24 C ATOM 1780 CG GLU A 109 7.244 2.532 12.234 1.00 33.11 C ATOM 1781 CD GLU A 109 7.053 2.467 13.754 1.00 64.10 C ATOM 1782 OE1 GLU A 109 7.410 1.435 14.362 1.00 71.21 O ATOM 1783 OE2 GLU A 109 6.541 3.431 14.353 1.00 22.21 O ATOM 0 H GLU A 109 4.217 1.519 9.790 1.00 1.53 H new ATOM 0 HA GLU A 109 6.730 2.758 9.531 1.00 53.54 H new ATOM 0 HB2 GLU A 109 5.207 2.752 11.555 1.00 51.24 H new ATOM 0 HB3 GLU A 109 5.680 1.092 11.858 1.00 51.24 H new ATOM 0 HG2 GLU A 109 8.113 1.933 11.960 1.00 33.11 H new ATOM 0 HG3 GLU A 109 7.463 3.561 11.948 1.00 33.11 H new ATOM 1790 N GLU A 110 6.759 -0.567 9.743 1.00 54.51 N ATOM 1791 CA GLU A 110 7.544 -1.795 9.518 1.00 61.24 C ATOM 1792 C GLU A 110 8.173 -1.788 8.108 1.00 22.23 C ATOM 1793 O GLU A 110 9.370 -2.013 7.955 1.00 41.23 O ATOM 1794 CB GLU A 110 6.650 -3.050 9.687 1.00 43.55 C ATOM 1795 CG GLU A 110 6.008 -3.225 11.077 1.00 24.44 C ATOM 1796 CD GLU A 110 7.028 -3.314 12.226 1.00 22.43 C ATOM 1797 OE1 GLU A 110 7.560 -4.416 12.479 1.00 24.34 O ATOM 1798 OE2 GLU A 110 7.301 -2.289 12.877 1.00 2.25 O ATOM 0 H GLU A 110 5.776 -0.746 9.950 1.00 54.51 H new ATOM 0 HA GLU A 110 8.342 -1.826 10.259 1.00 61.24 H new ATOM 0 HB2 GLU A 110 5.856 -3.012 8.941 1.00 43.55 H new ATOM 0 HB3 GLU A 110 7.250 -3.934 9.469 1.00 43.55 H new ATOM 0 HG2 GLU A 110 5.336 -2.388 11.264 1.00 24.44 H new ATOM 0 HG3 GLU A 110 5.398 -4.129 11.074 1.00 24.44 H new ATOM 1805 N PHE A 111 7.335 -1.463 7.106 1.00 53.43 N ATOM 1806 CA PHE A 111 7.703 -1.446 5.676 1.00 15.42 C ATOM 1807 C PHE A 111 8.866 -0.468 5.412 1.00 71.31 C ATOM 1808 O PHE A 111 9.806 -0.785 4.679 1.00 53.32 O ATOM 1809 CB PHE A 111 6.450 -1.044 4.841 1.00 23.40 C ATOM 1810 CG PHE A 111 6.625 -1.038 3.320 1.00 71.15 C ATOM 1811 CD1 PHE A 111 6.824 -2.216 2.628 1.00 63.54 C ATOM 1812 CD2 PHE A 111 6.550 0.133 2.581 1.00 43.04 C ATOM 1813 CE1 PHE A 111 6.957 -2.237 1.260 1.00 35.42 C ATOM 1814 CE2 PHE A 111 6.682 0.121 1.211 1.00 53.44 C ATOM 1815 CZ PHE A 111 6.881 -1.064 0.548 1.00 30.32 C ATOM 0 H PHE A 111 6.363 -1.199 7.270 1.00 53.43 H new ATOM 0 HA PHE A 111 8.041 -2.440 5.381 1.00 15.42 H new ATOM 0 HB2 PHE A 111 5.639 -1.728 5.090 1.00 23.40 H new ATOM 0 HB3 PHE A 111 6.135 -0.048 5.154 1.00 23.40 H new ATOM 0 HD1 PHE A 111 6.877 -3.145 3.176 1.00 63.54 H new ATOM 0 HD2 PHE A 111 6.385 1.071 3.090 1.00 43.04 H new ATOM 0 HE1 PHE A 111 7.121 -3.173 0.746 1.00 35.42 H new ATOM 0 HE2 PHE A 111 6.629 1.046 0.656 1.00 53.44 H new ATOM 0 HZ PHE A 111 6.977 -1.075 -0.528 1.00 30.32 H new ATOM 1825 N LEU A 112 8.783 0.718 6.041 1.00 14.31 N ATOM 1826 CA LEU A 112 9.752 1.809 5.823 1.00 52.44 C ATOM 1827 C LEU A 112 11.081 1.562 6.560 1.00 64.13 C ATOM 1828 O LEU A 112 12.151 1.853 6.011 1.00 63.44 O ATOM 1829 CB LEU A 112 9.128 3.177 6.218 1.00 14.44 C ATOM 1830 CG LEU A 112 7.760 3.516 5.533 1.00 40.10 C ATOM 1831 CD1 LEU A 112 7.359 4.974 5.755 1.00 61.32 C ATOM 1832 CD2 LEU A 112 7.760 3.171 4.037 1.00 13.33 C ATOM 0 H LEU A 112 8.048 0.947 6.710 1.00 14.31 H new ATOM 0 HA LEU A 112 9.988 1.833 4.759 1.00 52.44 H new ATOM 0 HB2 LEU A 112 8.988 3.194 7.299 1.00 14.44 H new ATOM 0 HB3 LEU A 112 9.841 3.965 5.976 1.00 14.44 H new ATOM 0 HG LEU A 112 7.011 2.887 6.014 1.00 40.10 H new ATOM 0 HD11 LEU A 112 6.405 5.168 5.264 1.00 61.32 H new ATOM 0 HD12 LEU A 112 7.263 5.166 6.824 1.00 61.32 H new ATOM 0 HD13 LEU A 112 8.123 5.629 5.336 1.00 61.32 H new ATOM 0 HD21 LEU A 112 6.791 3.423 3.605 1.00 13.33 H new ATOM 0 HD22 LEU A 112 8.541 3.740 3.532 1.00 13.33 H new ATOM 0 HD23 LEU A 112 7.947 2.105 3.909 1.00 13.33 H new ATOM 1844 N LYS A 113 11.015 1.000 7.787 1.00 20.22 N ATOM 1845 CA LYS A 113 12.224 0.680 8.591 1.00 14.00 C ATOM 1846 C LYS A 113 13.029 -0.463 7.940 1.00 50.15 C ATOM 1847 O LYS A 113 14.266 -0.474 7.982 1.00 5.31 O ATOM 1848 CB LYS A 113 11.839 0.306 10.045 1.00 4.31 C ATOM 1849 CG LYS A 113 11.185 1.444 10.862 1.00 23.30 C ATOM 1850 CD LYS A 113 10.820 1.010 12.308 1.00 13.10 C ATOM 1851 CE LYS A 113 9.868 -0.200 12.344 1.00 74.33 C ATOM 1852 NZ LYS A 113 9.473 -0.566 13.729 1.00 12.12 N ATOM 0 H LYS A 113 10.137 0.757 8.246 1.00 20.22 H new ATOM 0 HA LYS A 113 12.851 1.571 8.620 1.00 14.00 H new ATOM 0 HB2 LYS A 113 11.153 -0.541 10.017 1.00 4.31 H new ATOM 0 HB3 LYS A 113 12.736 -0.027 10.568 1.00 4.31 H new ATOM 0 HG2 LYS A 113 11.866 2.294 10.903 1.00 23.30 H new ATOM 0 HG3 LYS A 113 10.284 1.782 10.350 1.00 23.30 H new ATOM 0 HD2 LYS A 113 11.733 0.765 12.851 1.00 13.10 H new ATOM 0 HD3 LYS A 113 10.356 1.848 12.828 1.00 13.10 H new ATOM 0 HE2 LYS A 113 8.975 0.026 11.762 1.00 74.33 H new ATOM 0 HE3 LYS A 113 10.351 -1.054 11.869 1.00 74.33 H new ATOM 0 HZ1 LYS A 113 8.902 -1.435 13.709 1.00 12.12 H new ATOM 0 HZ2 LYS A 113 10.326 -0.725 14.303 1.00 12.12 H new ATOM 0 HZ3 LYS A 113 8.914 0.206 14.146 1.00 12.12 H new ATOM 1866 N GLU A 114 12.303 -1.418 7.335 1.00 45.32 N ATOM 1867 CA GLU A 114 12.904 -2.538 6.589 1.00 21.35 C ATOM 1868 C GLU A 114 13.367 -2.095 5.188 1.00 14.41 C ATOM 1869 O GLU A 114 14.148 -2.792 4.536 1.00 31.50 O ATOM 1870 CB GLU A 114 11.890 -3.709 6.488 1.00 3.12 C ATOM 1871 CG GLU A 114 11.474 -4.311 7.849 1.00 61.05 C ATOM 1872 CD GLU A 114 12.657 -4.865 8.662 1.00 32.11 C ATOM 1873 OE1 GLU A 114 13.276 -4.104 9.433 1.00 73.40 O ATOM 1874 OE2 GLU A 114 12.982 -6.060 8.525 1.00 52.23 O ATOM 0 H GLU A 114 11.283 -1.436 7.349 1.00 45.32 H new ATOM 0 HA GLU A 114 13.786 -2.878 7.132 1.00 21.35 H new ATOM 0 HB2 GLU A 114 10.997 -3.357 5.972 1.00 3.12 H new ATOM 0 HB3 GLU A 114 12.324 -4.497 5.873 1.00 3.12 H new ATOM 0 HG2 GLU A 114 10.967 -3.546 8.436 1.00 61.05 H new ATOM 0 HG3 GLU A 114 10.754 -5.111 7.679 1.00 61.05 H new ATOM 1881 N GLY A 115 12.859 -0.934 4.729 1.00 43.12 N ATOM 1882 CA GLY A 115 13.205 -0.384 3.416 1.00 24.23 C ATOM 1883 C GLY A 115 12.516 -1.109 2.268 1.00 31.22 C ATOM 1884 O GLY A 115 12.897 -0.952 1.102 1.00 55.22 O ATOM 0 H GLY A 115 12.203 -0.360 5.258 1.00 43.12 H new ATOM 0 HA2 GLY A 115 12.934 0.671 3.387 1.00 24.23 H new ATOM 0 HA3 GLY A 115 14.285 -0.439 3.278 1.00 24.23 H new ATOM 1888 N GLY A 116 11.477 -1.890 2.603 1.00 1.44 N ATOM 1889 CA GLY A 116 10.734 -2.678 1.636 1.00 33.01 C ATOM 1890 C GLY A 116 10.227 -3.971 2.256 1.00 3.33 C ATOM 1891 O GLY A 116 9.201 -3.969 2.933 1.00 40.41 O ATOM 0 H GLY A 116 11.136 -1.986 3.559 1.00 1.44 H new ATOM 0 HA2 GLY A 116 9.892 -2.097 1.259 1.00 33.01 H new ATOM 0 HA3 GLY A 116 11.371 -2.906 0.782 1.00 33.01 H new ATOM 1895 N SER A 117 10.975 -5.065 2.060 1.00 1.22 N ATOM 1896 CA SER A 117 10.548 -6.403 2.485 1.00 53.41 C ATOM 1897 C SER A 117 10.430 -6.496 4.022 1.00 12.12 C ATOM 1898 O SER A 117 11.436 -6.439 4.726 1.00 43.33 O ATOM 1899 CB SER A 117 11.508 -7.478 1.931 1.00 44.42 C ATOM 1900 OG SER A 117 10.987 -8.787 2.113 1.00 4.12 O ATOM 0 H SER A 117 11.888 -5.047 1.605 1.00 1.22 H new ATOM 0 HA SER A 117 9.556 -6.587 2.073 1.00 53.41 H new ATOM 0 HB2 SER A 117 11.682 -7.299 0.870 1.00 44.42 H new ATOM 0 HB3 SER A 117 12.473 -7.397 2.431 1.00 44.42 H new ATOM 0 HG SER A 117 10.173 -8.892 1.578 1.00 4.12 H new ATOM 1906 N LEU A 118 9.176 -6.607 4.518 1.00 14.30 N ATOM 1907 CA LEU A 118 8.885 -6.784 5.959 1.00 14.52 C ATOM 1908 C LEU A 118 9.380 -8.159 6.444 1.00 33.41 C ATOM 1909 O LEU A 118 9.828 -8.997 5.653 1.00 5.22 O ATOM 1910 CB LEU A 118 7.353 -6.657 6.277 1.00 73.12 C ATOM 1911 CG LEU A 118 6.645 -5.291 5.955 1.00 25.21 C ATOM 1912 CD1 LEU A 118 6.319 -5.160 4.468 1.00 22.01 C ATOM 1913 CD2 LEU A 118 5.367 -5.102 6.804 1.00 3.32 C ATOM 0 H LEU A 118 8.341 -6.577 3.933 1.00 14.30 H new ATOM 0 HA LEU A 118 9.412 -5.987 6.483 1.00 14.52 H new ATOM 0 HB2 LEU A 118 6.832 -7.441 5.728 1.00 73.12 H new ATOM 0 HB3 LEU A 118 7.214 -6.864 7.338 1.00 73.12 H new ATOM 0 HG LEU A 118 7.349 -4.501 6.217 1.00 25.21 H new ATOM 0 HD11 LEU A 118 5.831 -4.203 4.286 1.00 22.01 H new ATOM 0 HD12 LEU A 118 7.240 -5.214 3.887 1.00 22.01 H new ATOM 0 HD13 LEU A 118 5.654 -5.970 4.169 1.00 22.01 H new ATOM 0 HD21 LEU A 118 4.903 -4.147 6.556 1.00 3.32 H new ATOM 0 HD22 LEU A 118 4.667 -5.911 6.594 1.00 3.32 H new ATOM 0 HD23 LEU A 118 5.628 -5.114 7.862 1.00 3.32 H new ATOM 1925 N GLU A 119 9.220 -8.403 7.749 1.00 35.34 N ATOM 1926 CA GLU A 119 9.551 -9.691 8.383 1.00 15.20 C ATOM 1927 C GLU A 119 8.374 -10.690 8.245 1.00 14.43 C ATOM 1928 O GLU A 119 8.191 -11.568 9.101 1.00 4.35 O ATOM 1929 CB GLU A 119 9.890 -9.454 9.882 1.00 64.33 C ATOM 1930 CG GLU A 119 10.992 -8.407 10.125 1.00 65.40 C ATOM 1931 CD GLU A 119 11.351 -8.233 11.610 1.00 11.52 C ATOM 1932 OE1 GLU A 119 12.429 -8.711 12.041 1.00 44.42 O ATOM 1933 OE2 GLU A 119 10.541 -7.636 12.361 1.00 21.20 O ATOM 0 H GLU A 119 8.855 -7.710 8.402 1.00 35.34 H new ATOM 0 HA GLU A 119 10.417 -10.123 7.881 1.00 15.20 H new ATOM 0 HB2 GLU A 119 8.985 -9.139 10.402 1.00 64.33 H new ATOM 0 HB3 GLU A 119 10.200 -10.400 10.326 1.00 64.33 H new ATOM 0 HG2 GLU A 119 11.887 -8.697 9.574 1.00 65.40 H new ATOM 0 HG3 GLU A 119 10.667 -7.448 9.722 1.00 65.40 H new ATOM 1940 N HIS A 120 7.593 -10.562 7.142 1.00 64.52 N ATOM 1941 CA HIS A 120 6.420 -11.414 6.873 1.00 32.41 C ATOM 1942 C HIS A 120 6.885 -12.814 6.418 1.00 12.20 C ATOM 1943 O HIS A 120 6.959 -13.131 5.223 1.00 21.51 O ATOM 1944 CB HIS A 120 5.433 -10.725 5.861 1.00 51.54 C ATOM 1945 CG HIS A 120 5.937 -10.548 4.439 1.00 25.23 C ATOM 1946 ND1 HIS A 120 5.384 -11.213 3.361 1.00 25.22 N ATOM 1947 CD2 HIS A 120 6.930 -9.778 3.923 1.00 44.40 C ATOM 1948 CE1 HIS A 120 6.022 -10.875 2.261 1.00 4.43 C ATOM 1949 NE2 HIS A 120 6.961 -10.005 2.573 1.00 53.44 N ATOM 0 H HIS A 120 7.764 -9.864 6.418 1.00 64.52 H new ATOM 0 HA HIS A 120 5.849 -11.547 7.792 1.00 32.41 H new ATOM 0 HB2 HIS A 120 4.515 -11.311 5.827 1.00 51.54 H new ATOM 0 HB3 HIS A 120 5.170 -9.743 6.255 1.00 51.54 H new ATOM 0 HD2 HIS A 120 7.575 -9.111 4.475 1.00 44.40 H new ATOM 0 HE1 HIS A 120 5.811 -11.248 1.270 1.00 4.43 H new ATOM 0 HE2 HIS A 120 7.607 -9.570 1.915 1.00 53.44 H new ATOM 1958 N HIS A 121 7.286 -13.622 7.413 1.00 64.20 N ATOM 1959 CA HIS A 121 7.722 -15.009 7.205 1.00 23.03 C ATOM 1960 C HIS A 121 6.574 -15.832 6.616 1.00 34.21 C ATOM 1961 O HIS A 121 5.425 -15.700 7.055 1.00 41.52 O ATOM 1962 CB HIS A 121 8.238 -15.635 8.528 1.00 13.13 C ATOM 1963 CG HIS A 121 7.277 -15.556 9.693 1.00 35.35 C ATOM 1964 ND1 HIS A 121 6.325 -16.517 9.966 1.00 54.11 N ATOM 1965 CD2 HIS A 121 7.136 -14.620 10.661 1.00 4.11 C ATOM 1966 CE1 HIS A 121 5.649 -16.173 11.044 1.00 33.12 C ATOM 1967 NE2 HIS A 121 6.124 -15.030 11.482 1.00 24.41 N ATOM 0 H HIS A 121 7.316 -13.328 8.389 1.00 64.20 H new ATOM 0 HA HIS A 121 8.551 -15.013 6.498 1.00 23.03 H new ATOM 0 HB2 HIS A 121 8.479 -16.682 8.346 1.00 13.13 H new ATOM 0 HB3 HIS A 121 9.167 -15.138 8.809 1.00 13.13 H new ATOM 0 HD2 HIS A 121 7.717 -13.715 10.765 1.00 4.11 H new ATOM 0 HE1 HIS A 121 4.842 -16.735 11.491 1.00 33.12 H new ATOM 0 HE2 HIS A 121 5.790 -14.528 12.305 1.00 24.41 H new ATOM 1976 N HIS A 122 6.903 -16.656 5.612 1.00 61.51 N ATOM 1977 CA HIS A 122 5.914 -17.412 4.822 1.00 1.44 C ATOM 1978 C HIS A 122 5.089 -18.348 5.716 1.00 70.15 C ATOM 1979 O HIS A 122 5.623 -18.922 6.667 1.00 13.31 O ATOM 1980 CB HIS A 122 6.614 -18.215 3.703 1.00 2.45 C ATOM 1981 CG HIS A 122 7.331 -17.372 2.680 1.00 22.54 C ATOM 1982 ND1 HIS A 122 6.855 -17.165 1.407 1.00 55.23 N ATOM 1983 CD2 HIS A 122 8.517 -16.713 2.740 1.00 53.41 C ATOM 1984 CE1 HIS A 122 7.712 -16.425 0.733 1.00 64.14 C ATOM 1985 NE2 HIS A 122 8.725 -16.139 1.517 1.00 13.23 N ATOM 0 H HIS A 122 7.867 -16.820 5.321 1.00 61.51 H new ATOM 0 HA HIS A 122 5.232 -16.695 4.364 1.00 1.44 H new ATOM 0 HB2 HIS A 122 7.331 -18.898 4.158 1.00 2.45 H new ATOM 0 HB3 HIS A 122 5.870 -18.827 3.193 1.00 2.45 H new ATOM 0 HD2 HIS A 122 9.174 -16.654 3.595 1.00 53.41 H new ATOM 0 HE1 HIS A 122 7.600 -16.107 -0.293 1.00 64.14 H new ATOM 0 HE2 HIS A 122 9.536 -15.579 1.256 1.00 13.23 H new ATOM 1994 N HIS A 123 3.782 -18.478 5.394 1.00 22.53 N ATOM 1995 CA HIS A 123 2.825 -19.306 6.166 1.00 61.53 C ATOM 1996 C HIS A 123 3.329 -20.758 6.309 1.00 70.03 C ATOM 1997 O HIS A 123 3.119 -21.397 7.342 1.00 41.13 O ATOM 1998 CB HIS A 123 1.410 -19.250 5.523 1.00 23.12 C ATOM 1999 CG HIS A 123 1.268 -19.944 4.189 1.00 71.41 C ATOM 2000 ND1 HIS A 123 0.384 -20.981 3.966 1.00 12.24 N ATOM 2001 CD2 HIS A 123 1.881 -19.730 3.003 1.00 14.54 C ATOM 2002 CE1 HIS A 123 0.476 -21.375 2.712 1.00 23.15 C ATOM 2003 NE2 HIS A 123 1.373 -20.628 2.112 1.00 11.33 N ATOM 0 H HIS A 123 3.360 -18.012 4.591 1.00 22.53 H new ATOM 0 HA HIS A 123 2.751 -18.892 7.172 1.00 61.53 H new ATOM 0 HB2 HIS A 123 0.697 -19.692 6.219 1.00 23.12 H new ATOM 0 HB3 HIS A 123 1.129 -18.204 5.399 1.00 23.12 H new ATOM 0 HD2 HIS A 123 2.635 -18.984 2.799 1.00 14.54 H new ATOM 0 HE1 HIS A 123 -0.089 -22.175 2.256 1.00 23.15 H new ATOM 0 HE2 HIS A 123 1.647 -20.707 1.133 1.00 11.33 H new ATOM 2012 N HIS A 124 4.005 -21.245 5.247 1.00 40.20 N ATOM 2013 CA HIS A 124 4.762 -22.510 5.238 1.00 52.33 C ATOM 2014 C HIS A 124 5.894 -22.402 4.206 1.00 75.03 C ATOM 2015 O HIS A 124 5.841 -21.562 3.300 1.00 73.53 O ATOM 2016 CB HIS A 124 3.865 -23.746 4.931 1.00 30.44 C ATOM 2017 CG HIS A 124 2.951 -24.151 6.057 1.00 11.41 C ATOM 2018 ND1 HIS A 124 3.426 -24.564 7.284 1.00 42.24 N ATOM 2019 CD2 HIS A 124 1.601 -24.164 6.160 1.00 31.42 C ATOM 2020 CE1 HIS A 124 2.412 -24.801 8.088 1.00 41.50 C ATOM 2021 NE2 HIS A 124 1.295 -24.578 7.428 1.00 24.22 N ATOM 0 H HIS A 124 4.039 -20.756 4.352 1.00 40.20 H new ATOM 0 HA HIS A 124 5.170 -22.666 6.237 1.00 52.33 H new ATOM 0 HB2 HIS A 124 3.261 -23.530 4.050 1.00 30.44 H new ATOM 0 HB3 HIS A 124 4.506 -24.591 4.679 1.00 30.44 H new ATOM 0 HD2 HIS A 124 0.897 -23.897 5.386 1.00 31.42 H new ATOM 0 HE1 HIS A 124 2.484 -25.124 9.116 1.00 41.50 H new ATOM 0 HE2 HIS A 124 0.353 -24.695 7.802 1.00 24.22 H new ATOM 2030 N HIS A 125 6.929 -23.241 4.368 1.00 15.24 N ATOM 2031 CA HIS A 125 8.083 -23.290 3.444 1.00 11.33 C ATOM 2032 C HIS A 125 7.765 -24.226 2.251 1.00 50.41 C ATOM 2033 O HIS A 125 7.728 -25.456 2.445 1.00 43.14 O ATOM 2034 CB HIS A 125 9.358 -23.740 4.208 1.00 24.34 C ATOM 2035 CG HIS A 125 10.607 -23.809 3.350 1.00 63.12 C ATOM 2036 ND1 HIS A 125 11.434 -22.724 3.134 1.00 14.32 N ATOM 2037 CD2 HIS A 125 11.176 -24.841 2.669 1.00 60.11 C ATOM 2038 CE1 HIS A 125 12.439 -23.080 2.362 1.00 64.01 C ATOM 2039 NE2 HIS A 125 12.306 -24.354 2.069 1.00 22.52 N ATOM 2040 OXT HIS A 125 7.544 -23.734 1.132 1.00 37.66 O ATOM 0 H HIS A 125 6.994 -23.905 5.140 1.00 15.24 H new ATOM 0 HA HIS A 125 8.273 -22.294 3.043 1.00 11.33 H new ATOM 0 HB2 HIS A 125 9.536 -23.050 5.033 1.00 24.34 H new ATOM 0 HB3 HIS A 125 9.178 -24.722 4.646 1.00 24.34 H new ATOM 0 HD2 HIS A 125 10.806 -25.854 2.613 1.00 60.11 H new ATOM 0 HE1 HIS A 125 13.237 -22.435 2.026 1.00 64.01 H new ATOM 0 HE2 HIS A 125 12.944 -24.895 1.486 1.00 22.52 H new TER 2049 HIS A 125