USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 86 GLN : amide:sc= -1.38! K(o=-0.5!,f=-2) USER MOD Set 1.2: A 87 HIS : no HE2:sc= 0.882 K(o=-0.5,f=-2.7!) USER MOD Set 2.1: A 47 SER OG : rot 85:sc= 0.394! USER MOD Set 2.2: A 56 HIS : no HD1:sc= 0.557 K(o=0.95,f=-6.5!) USER MOD Set 3.1: A 17 ASN : amide:sc= -11.4! C(o=-24!,f=-25!) USER MOD Set 3.2: A 19 ASN : amide:sc= -13! C(o=-24!,f=-38!) USER MOD Single : A 5 HIS : no HE2:sc= -5.08! C(o=-5.1!,f=-7.1!) USER MOD Single : A 6 HIS : no HD1:sc= -0.292 X(o=-0.29,f=0.0033) USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= -0.0303! (180deg=-2.2!) USER MOD Single : A 10 THR OG1 : rot 23:sc= -4.62! USER MOD Single : A 12 ASN : amide:sc= -15.5! C(o=-15!,f=-15!) USER MOD Single : A 15 SER OG : rot 40:sc= 0.766 USER MOD Single : A 16 SER OG : rot -150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00399 K(o=-0.004,f=-1.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -91:sc= 1.14 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -2.58! USER MOD Single : A 55 LYS NZ :NH3+ -111:sc= -14.1! (180deg=-18.3!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.741 K(o=-0.74,f=-0.026) USER MOD Single : A 77 SER OG : rot 180:sc=-0.00604 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -3.85! C(o=-3.9!,f=-3!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.913 K(o=-0.91,f=-4.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -4.6! C(o=-4.6!,f=-14!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 93.028 -0.622 -14.293 1.00 0.00 N ATOM 31 CA LEU A 3 92.927 -0.915 -12.833 1.00 0.00 C ATOM 32 C LEU A 3 91.574 -1.584 -12.559 1.00 0.00 C ATOM 33 O LEU A 3 90.586 -1.273 -13.192 1.00 0.00 O ATOM 34 CB LEU A 3 93.006 0.397 -12.048 1.00 0.00 C ATOM 35 CG LEU A 3 94.369 1.046 -12.270 1.00 0.00 C ATOM 36 CD1 LEU A 3 94.380 2.423 -11.610 1.00 0.00 C ATOM 37 CD2 LEU A 3 95.454 0.173 -11.641 1.00 0.00 C ATOM 0 HA LEU A 3 93.740 -1.573 -12.527 1.00 0.00 H new ATOM 0 HB2 LEU A 3 92.214 1.073 -12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.851 0.207 -10.986 1.00 0.00 H new ATOM 0 HG LEU A 3 94.559 1.148 -13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 3 95.351 2.893 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.602 3.045 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 3 94.195 2.316 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 3 96.429 0.634 -11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 3 95.267 0.075 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 3 95.441 -0.814 -12.104 1.00 0.00 H new ATOM 49 N PRO A 4 91.529 -2.491 -11.622 1.00 0.00 N ATOM 50 CA PRO A 4 90.273 -3.214 -11.258 1.00 0.00 C ATOM 51 C PRO A 4 89.209 -2.276 -10.684 1.00 0.00 C ATOM 52 O PRO A 4 88.080 -2.668 -10.454 1.00 0.00 O ATOM 53 CB PRO A 4 90.717 -4.227 -10.202 1.00 0.00 C ATOM 54 CG PRO A 4 92.006 -3.701 -9.663 1.00 0.00 C ATOM 55 CD PRO A 4 92.664 -2.926 -10.802 1.00 0.00 C ATOM 0 HA PRO A 4 89.811 -3.675 -12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 4 89.972 -4.323 -9.413 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.849 -5.217 -10.639 1.00 0.00 H new ATOM 0 HG2 PRO A 4 91.832 -3.055 -8.803 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.647 -4.515 -9.326 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.239 -2.078 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.352 -3.553 -11.369 1.00 0.00 H new ATOM 63 N HIS A 5 89.553 -1.043 -10.456 1.00 0.00 N ATOM 64 CA HIS A 5 88.553 -0.093 -9.907 1.00 0.00 C ATOM 65 C HIS A 5 87.469 0.152 -10.960 1.00 0.00 C ATOM 66 O HIS A 5 86.365 0.545 -10.644 1.00 0.00 O ATOM 67 CB HIS A 5 89.239 1.217 -9.502 1.00 0.00 C ATOM 68 CG HIS A 5 89.746 1.095 -8.088 1.00 0.00 C ATOM 69 ND1 HIS A 5 91.079 1.289 -7.756 1.00 0.00 N ATOM 70 CD2 HIS A 5 89.108 0.795 -6.907 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.197 1.105 -6.426 1.00 0.00 C ATOM 72 NE2 HIS A 5 90.026 0.802 -5.862 1.00 0.00 N ATOM 0 H HIS A 5 90.480 -0.653 -10.625 1.00 0.00 H new ATOM 0 HA HIS A 5 88.089 -0.514 -9.015 1.00 0.00 H new ATOM 0 HB2 HIS A 5 90.065 1.433 -10.180 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.537 2.048 -9.579 1.00 0.00 H new ATOM 0 HD1 HIS A 5 91.832 1.527 -8.401 1.00 0.00 H new ATOM 0 HD2 HIS A 5 88.053 0.586 -6.806 1.00 0.00 H new ATOM 0 HE1 HIS A 5 92.126 1.192 -5.883 1.00 0.00 H new ATOM 80 N HIS A 6 87.758 -0.096 -12.210 1.00 0.00 N ATOM 81 CA HIS A 6 86.712 0.104 -13.251 1.00 0.00 C ATOM 82 C HIS A 6 85.525 -0.806 -12.919 1.00 0.00 C ATOM 83 O HIS A 6 84.382 -0.461 -13.140 1.00 0.00 O ATOM 84 CB HIS A 6 87.272 -0.245 -14.634 1.00 0.00 C ATOM 85 CG HIS A 6 88.267 0.809 -15.048 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.876 2.103 -15.354 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.634 0.784 -15.198 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.984 2.800 -15.666 1.00 0.00 C ATOM 89 NE2 HIS A 6 90.085 2.043 -15.590 1.00 0.00 N ATOM 0 H HIS A 6 88.662 -0.424 -12.551 1.00 0.00 H new ATOM 0 HA HIS A 6 86.393 1.146 -13.265 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.751 -1.224 -14.609 1.00 0.00 H new ATOM 0 HB3 HIS A 6 86.463 -0.304 -15.362 1.00 0.00 H new ATOM 0 HD2 HIS A 6 90.262 -0.080 -15.037 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.985 3.844 -15.944 1.00 0.00 H new ATOM 0 HE2 HIS A 6 91.047 2.326 -15.778 1.00 0.00 H new ATOM 97 N ASP A 7 85.789 -1.965 -12.371 1.00 0.00 N ATOM 98 CA ASP A 7 84.684 -2.891 -12.007 1.00 0.00 C ATOM 99 C ASP A 7 84.354 -2.728 -10.519 1.00 0.00 C ATOM 100 O ASP A 7 85.215 -2.808 -9.663 1.00 0.00 O ATOM 101 CB ASP A 7 85.113 -4.330 -12.288 1.00 0.00 C ATOM 102 CG ASP A 7 83.913 -5.266 -12.136 1.00 0.00 C ATOM 103 OD1 ASP A 7 82.863 -4.791 -11.737 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.065 -6.441 -12.420 1.00 0.00 O ATOM 0 H ASP A 7 86.727 -2.307 -12.161 1.00 0.00 H new ATOM 0 HA ASP A 7 83.799 -2.658 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.521 -4.408 -13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 7 85.905 -4.624 -11.600 1.00 0.00 H new ATOM 109 N GLU A 8 83.112 -2.491 -10.216 1.00 0.00 N ATOM 110 CA GLU A 8 82.688 -2.310 -8.802 1.00 0.00 C ATOM 111 C GLU A 8 82.819 -3.634 -8.038 1.00 0.00 C ATOM 112 O GLU A 8 83.017 -3.657 -6.843 1.00 0.00 O ATOM 113 CB GLU A 8 81.225 -1.846 -8.810 1.00 0.00 C ATOM 114 CG GLU A 8 80.781 -1.452 -7.404 1.00 0.00 C ATOM 115 CD GLU A 8 79.507 -0.607 -7.491 1.00 0.00 C ATOM 116 OE1 GLU A 8 79.586 0.498 -8.001 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.473 -1.081 -7.048 1.00 0.00 O ATOM 0 H GLU A 8 82.359 -2.414 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 8 83.318 -1.572 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 81.110 -0.998 -9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.586 -2.644 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.599 -2.344 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.570 -0.889 -6.906 1.00 0.00 H new ATOM 124 N LYS A 9 82.697 -4.734 -8.724 1.00 0.00 N ATOM 125 CA LYS A 9 82.786 -6.067 -8.051 1.00 0.00 C ATOM 126 C LYS A 9 84.168 -6.288 -7.411 1.00 0.00 C ATOM 127 O LYS A 9 84.306 -7.035 -6.463 1.00 0.00 O ATOM 128 CB LYS A 9 82.524 -7.156 -9.098 1.00 0.00 C ATOM 129 CG LYS A 9 82.762 -8.545 -8.498 1.00 0.00 C ATOM 130 CD LYS A 9 83.906 -9.230 -9.242 1.00 0.00 C ATOM 131 CE LYS A 9 85.217 -8.515 -8.930 1.00 0.00 C ATOM 132 NZ LYS A 9 86.339 -9.285 -9.531 1.00 0.00 N ATOM 0 H LYS A 9 82.538 -4.771 -9.731 1.00 0.00 H new ATOM 0 HA LYS A 9 82.044 -6.108 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 9 81.499 -7.081 -9.461 1.00 0.00 H new ATOM 0 HB3 LYS A 9 83.178 -7.008 -9.957 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.003 -8.459 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 81.855 -9.145 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 9 83.971 -10.277 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.717 -9.214 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.198 -7.501 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.353 -8.430 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 87.139 -9.308 -8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 86.026 -10.257 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 86.638 -8.829 -10.417 1.00 0.00 H new ATOM 146 N THR A 10 85.184 -5.671 -7.928 1.00 0.00 N ATOM 147 CA THR A 10 86.557 -5.873 -7.370 1.00 0.00 C ATOM 148 C THR A 10 86.665 -5.398 -5.905 1.00 0.00 C ATOM 149 O THR A 10 87.437 -5.937 -5.138 1.00 0.00 O ATOM 150 CB THR A 10 87.546 -5.120 -8.267 1.00 0.00 C ATOM 151 OG1 THR A 10 87.145 -3.766 -8.380 1.00 0.00 O ATOM 152 CG2 THR A 10 87.573 -5.748 -9.660 1.00 0.00 C ATOM 0 H THR A 10 85.130 -5.029 -8.719 1.00 0.00 H new ATOM 0 HA THR A 10 86.788 -6.938 -7.359 1.00 0.00 H new ATOM 0 HB THR A 10 88.540 -5.179 -7.824 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.578 -3.528 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.278 -5.206 -10.290 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.882 -6.791 -9.583 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.578 -5.696 -10.102 1.00 0.00 H new ATOM 160 N TRP A 11 85.907 -4.419 -5.493 1.00 0.00 N ATOM 161 CA TRP A 11 86.006 -3.967 -4.062 1.00 0.00 C ATOM 162 C TRP A 11 84.637 -4.037 -3.387 1.00 0.00 C ATOM 163 O TRP A 11 84.536 -4.265 -2.197 1.00 0.00 O ATOM 164 CB TRP A 11 86.516 -2.526 -4.010 1.00 0.00 C ATOM 165 CG TRP A 11 86.326 -1.927 -5.345 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.980 -2.322 -6.447 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.435 -0.855 -5.745 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.534 -1.576 -7.523 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.584 -0.646 -7.135 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.520 -0.051 -5.042 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.844 0.326 -7.808 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.777 0.930 -5.713 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.937 1.118 -7.094 1.00 0.00 C ATOM 0 H TRP A 11 85.232 -3.915 -6.068 1.00 0.00 H new ATOM 0 HA TRP A 11 86.699 -4.624 -3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 11 85.973 -1.956 -3.256 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.569 -2.504 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.732 -3.096 -6.488 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.863 -1.696 -8.481 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.389 -0.190 -3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.970 0.467 -8.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.078 1.544 -5.164 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.360 1.874 -7.606 1.00 0.00 H new ATOM 184 N ASN A 12 83.579 -3.835 -4.129 1.00 0.00 N ATOM 185 CA ASN A 12 82.221 -3.887 -3.515 1.00 0.00 C ATOM 186 C ASN A 12 81.850 -5.331 -3.215 1.00 0.00 C ATOM 187 O ASN A 12 81.964 -6.199 -4.060 1.00 0.00 O ATOM 188 CB ASN A 12 81.190 -3.323 -4.484 1.00 0.00 C ATOM 189 CG ASN A 12 81.329 -1.803 -4.565 1.00 0.00 C ATOM 190 OD1 ASN A 12 80.411 -1.120 -4.973 1.00 0.00 O ATOM 191 ND2 ASN A 12 82.443 -1.238 -4.191 1.00 0.00 N ATOM 0 H ASN A 12 83.597 -3.637 -5.129 1.00 0.00 H new ATOM 0 HA ASN A 12 82.232 -3.300 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.328 -3.763 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 12 80.185 -3.588 -4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 12 82.543 -0.224 -4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 12 83.215 -1.810 -3.848 1.00 0.00 H new ATOM 198 N VAL A 13 81.397 -5.601 -2.029 1.00 0.00 N ATOM 199 CA VAL A 13 81.017 -6.997 -1.697 1.00 0.00 C ATOM 200 C VAL A 13 79.521 -7.067 -1.414 1.00 0.00 C ATOM 201 O VAL A 13 78.945 -8.131 -1.312 1.00 0.00 O ATOM 202 CB VAL A 13 81.784 -7.446 -0.466 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.391 -8.884 -0.133 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.284 -7.368 -0.751 1.00 0.00 C ATOM 0 H VAL A 13 81.273 -4.921 -1.279 1.00 0.00 H new ATOM 0 HA VAL A 13 81.257 -7.648 -2.538 1.00 0.00 H new ATOM 0 HB VAL A 13 81.547 -6.801 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 81.937 -9.215 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.320 -8.932 0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.635 -9.532 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.839 -7.690 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.529 -8.018 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.555 -6.341 -0.996 1.00 0.00 H new ATOM 214 N GLY A 14 78.886 -5.939 -1.281 1.00 0.00 N ATOM 215 CA GLY A 14 77.428 -5.941 -0.999 1.00 0.00 C ATOM 216 C GLY A 14 77.204 -5.934 0.514 1.00 0.00 C ATOM 217 O GLY A 14 78.021 -5.451 1.271 1.00 0.00 O ATOM 0 H GLY A 14 79.314 -5.016 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 14 76.958 -5.068 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 14 76.962 -6.821 -1.443 1.00 0.00 H new ATOM 221 N SER A 15 76.103 -6.470 0.959 1.00 0.00 N ATOM 222 CA SER A 15 75.817 -6.501 2.421 1.00 0.00 C ATOM 223 C SER A 15 76.522 -7.707 3.056 1.00 0.00 C ATOM 224 O SER A 15 76.174 -8.842 2.802 1.00 0.00 O ATOM 225 CB SER A 15 74.305 -6.625 2.621 1.00 0.00 C ATOM 226 OG SER A 15 73.831 -7.763 1.910 1.00 0.00 O ATOM 0 H SER A 15 75.384 -6.891 0.370 1.00 0.00 H new ATOM 0 HA SER A 15 76.180 -5.588 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 15 74.073 -6.721 3.682 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.804 -5.725 2.266 1.00 0.00 H new ATOM 0 HG SER A 15 74.474 -8.497 2.001 1.00 0.00 H new ATOM 232 N SER A 16 77.512 -7.472 3.881 1.00 0.00 N ATOM 233 CA SER A 16 78.233 -8.611 4.523 1.00 0.00 C ATOM 234 C SER A 16 78.243 -8.439 6.041 1.00 0.00 C ATOM 235 O SER A 16 78.369 -7.345 6.556 1.00 0.00 O ATOM 236 CB SER A 16 79.675 -8.664 4.016 1.00 0.00 C ATOM 237 OG SER A 16 79.673 -8.924 2.619 1.00 0.00 O ATOM 0 H SER A 16 77.850 -6.544 4.136 1.00 0.00 H new ATOM 0 HA SER A 16 77.719 -9.538 4.267 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.179 -7.720 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 16 80.229 -9.442 4.541 1.00 0.00 H new ATOM 0 HG SER A 16 80.486 -9.414 2.376 1.00 0.00 H new ATOM 243 N ASN A 17 78.124 -9.520 6.757 1.00 0.00 N ATOM 244 CA ASN A 17 78.139 -9.444 8.240 1.00 0.00 C ATOM 245 C ASN A 17 79.526 -9.011 8.708 1.00 0.00 C ATOM 246 O ASN A 17 80.521 -9.300 8.075 1.00 0.00 O ATOM 247 CB ASN A 17 77.808 -10.818 8.818 1.00 0.00 C ATOM 248 CG ASN A 17 77.730 -10.728 10.342 1.00 0.00 C ATOM 249 OD1 ASN A 17 77.921 -9.671 10.912 1.00 0.00 O ATOM 250 ND2 ASN A 17 77.462 -11.802 11.027 1.00 0.00 N ATOM 0 H ASN A 17 78.016 -10.459 6.374 1.00 0.00 H new ATOM 0 HA ASN A 17 77.399 -8.720 8.580 1.00 0.00 H new ATOM 0 HB2 ASN A 17 76.860 -11.174 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.570 -11.540 8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 17 77.412 -11.758 12.045 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.302 -12.687 10.546 1.00 0.00 H new ATOM 257 N ARG A 18 79.600 -8.306 9.797 1.00 0.00 N ATOM 258 CA ARG A 18 80.926 -7.846 10.286 1.00 0.00 C ATOM 259 C ARG A 18 81.816 -9.048 10.592 1.00 0.00 C ATOM 260 O ARG A 18 82.994 -9.051 10.290 1.00 0.00 O ATOM 261 CB ARG A 18 80.732 -6.995 11.536 1.00 0.00 C ATOM 262 CG ARG A 18 80.113 -5.660 11.126 1.00 0.00 C ATOM 263 CD ARG A 18 79.910 -4.792 12.364 1.00 0.00 C ATOM 264 NE ARG A 18 78.940 -5.452 13.287 1.00 0.00 N ATOM 265 CZ ARG A 18 78.845 -5.051 14.528 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.660 -4.143 14.979 1.00 0.00 N ATOM 267 NH2 ARG A 18 77.952 -5.574 15.327 1.00 0.00 N ATOM 0 H ARG A 18 78.803 -8.028 10.369 1.00 0.00 H new ATOM 0 HA ARG A 18 81.412 -7.246 9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.085 -7.509 12.247 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.688 -6.832 12.034 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.761 -5.150 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.159 -5.828 10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 18 80.862 -4.637 12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.540 -3.809 12.074 1.00 0.00 H new ATOM 0 HE ARG A 18 78.352 -6.215 12.950 1.00 0.00 H new ATOM 0 HH11 ARG A 18 80.371 -3.746 14.365 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.588 -3.828 15.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 77.323 -6.300 14.984 1.00 0.00 H new ATOM 0 HH22 ARG A 18 77.884 -5.256 16.294 1.00 0.00 H new ATOM 281 N ASN A 19 81.268 -10.077 11.171 1.00 0.00 N ATOM 282 CA ASN A 19 82.090 -11.281 11.471 1.00 0.00 C ATOM 283 C ASN A 19 82.625 -11.859 10.157 1.00 0.00 C ATOM 284 O ASN A 19 83.714 -12.395 10.097 1.00 0.00 O ATOM 285 CB ASN A 19 81.216 -12.318 12.185 1.00 0.00 C ATOM 286 CG ASN A 19 80.016 -12.657 11.299 1.00 0.00 C ATOM 287 OD1 ASN A 19 79.921 -12.183 10.184 1.00 0.00 O ATOM 288 ND2 ASN A 19 79.088 -13.458 11.745 1.00 0.00 N ATOM 0 H ASN A 19 80.289 -10.137 11.449 1.00 0.00 H new ATOM 0 HA ASN A 19 82.929 -11.015 12.115 1.00 0.00 H new ATOM 0 HB2 ASN A 19 81.795 -13.218 12.394 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.877 -11.927 13.144 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.285 -13.685 11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 19 79.165 -13.857 12.680 1.00 0.00 H new ATOM 295 N LYS A 20 81.868 -11.746 9.097 1.00 0.00 N ATOM 296 CA LYS A 20 82.334 -12.274 7.785 1.00 0.00 C ATOM 297 C LYS A 20 83.346 -11.294 7.186 1.00 0.00 C ATOM 298 O LYS A 20 84.300 -11.680 6.538 1.00 0.00 O ATOM 299 CB LYS A 20 81.130 -12.438 6.846 1.00 0.00 C ATOM 300 CG LYS A 20 81.597 -12.956 5.483 1.00 0.00 C ATOM 301 CD LYS A 20 81.830 -14.471 5.548 1.00 0.00 C ATOM 302 CE LYS A 20 80.509 -15.205 5.811 1.00 0.00 C ATOM 303 NZ LYS A 20 80.538 -16.535 5.132 1.00 0.00 N ATOM 0 H LYS A 20 80.946 -11.310 9.085 1.00 0.00 H new ATOM 0 HA LYS A 20 82.811 -13.245 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.411 -13.132 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.619 -11.483 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 20 80.850 -12.727 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.517 -12.451 5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 20 82.266 -14.819 4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 20 82.545 -14.702 6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.359 -15.335 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 20 79.671 -14.614 5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.643 -17.035 5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.662 -16.400 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.329 -17.098 5.505 1.00 0.00 H new ATOM 317 N ALA A 21 83.145 -10.022 7.412 1.00 0.00 N ATOM 318 CA ALA A 21 84.084 -9.000 6.872 1.00 0.00 C ATOM 319 C ALA A 21 85.484 -9.251 7.434 1.00 0.00 C ATOM 320 O ALA A 21 86.458 -9.239 6.711 1.00 0.00 O ATOM 321 CB ALA A 21 83.610 -7.607 7.287 1.00 0.00 C ATOM 0 H ALA A 21 82.365 -9.647 7.951 1.00 0.00 H new ATOM 0 HA ALA A 21 84.111 -9.066 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.296 -6.857 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.611 -7.429 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.585 -7.540 8.375 1.00 0.00 H new ATOM 327 N GLU A 22 85.598 -9.495 8.713 1.00 0.00 N ATOM 328 CA GLU A 22 86.946 -9.754 9.284 1.00 0.00 C ATOM 329 C GLU A 22 87.535 -10.982 8.594 1.00 0.00 C ATOM 330 O GLU A 22 88.667 -10.970 8.165 1.00 0.00 O ATOM 331 CB GLU A 22 86.845 -9.996 10.795 1.00 0.00 C ATOM 332 CG GLU A 22 85.712 -10.979 11.101 1.00 0.00 C ATOM 333 CD GLU A 22 85.715 -11.308 12.597 1.00 0.00 C ATOM 334 OE1 GLU A 22 86.296 -10.544 13.350 1.00 0.00 O ATOM 335 OE2 GLU A 22 85.139 -12.316 12.965 1.00 0.00 O ATOM 0 H GLU A 22 84.825 -9.525 9.377 1.00 0.00 H new ATOM 0 HA GLU A 22 87.590 -8.890 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 22 87.789 -10.390 11.171 1.00 0.00 H new ATOM 0 HB3 GLU A 22 86.666 -9.052 11.310 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.753 -10.547 10.814 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.838 -11.890 10.517 1.00 0.00 H new ATOM 342 N ASN A 23 86.767 -12.031 8.452 1.00 0.00 N ATOM 343 CA ASN A 23 87.288 -13.243 7.757 1.00 0.00 C ATOM 344 C ASN A 23 87.769 -12.821 6.365 1.00 0.00 C ATOM 345 O ASN A 23 88.817 -13.232 5.911 1.00 0.00 O ATOM 346 CB ASN A 23 86.171 -14.290 7.617 1.00 0.00 C ATOM 347 CG ASN A 23 85.835 -14.887 8.987 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.600 -14.764 9.921 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.713 -15.541 9.145 1.00 0.00 N ATOM 0 H ASN A 23 85.806 -12.100 8.786 1.00 0.00 H new ATOM 0 HA ASN A 23 88.106 -13.680 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.283 -13.830 7.184 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.485 -15.080 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.482 -15.946 10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.069 -15.645 8.361 1.00 0.00 H new ATOM 356 N LEU A 24 87.016 -11.985 5.692 1.00 0.00 N ATOM 357 CA LEU A 24 87.450 -11.522 4.337 1.00 0.00 C ATOM 358 C LEU A 24 88.664 -10.614 4.484 1.00 0.00 C ATOM 359 O LEU A 24 89.499 -10.532 3.605 1.00 0.00 O ATOM 360 CB LEU A 24 86.334 -10.723 3.656 1.00 0.00 C ATOM 361 CG LEU A 24 85.145 -11.636 3.377 1.00 0.00 C ATOM 362 CD1 LEU A 24 83.992 -10.819 2.788 1.00 0.00 C ATOM 363 CD2 LEU A 24 85.569 -12.717 2.379 1.00 0.00 C ATOM 0 H LEU A 24 86.127 -11.606 6.019 1.00 0.00 H new ATOM 0 HA LEU A 24 87.690 -12.397 3.733 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.026 -9.894 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 86.699 -10.291 2.724 1.00 0.00 H new ATOM 0 HG LEU A 24 84.815 -12.100 4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.145 -11.476 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 24 83.695 -10.046 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.315 -10.353 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 24 84.724 -13.374 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 24 85.897 -12.248 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 24 86.388 -13.300 2.800 1.00 0.00 H new ATOM 375 N LEU A 25 88.765 -9.920 5.587 1.00 0.00 N ATOM 376 CA LEU A 25 89.925 -9.005 5.786 1.00 0.00 C ATOM 377 C LEU A 25 91.043 -9.762 6.499 1.00 0.00 C ATOM 378 O LEU A 25 92.153 -9.285 6.626 1.00 0.00 O ATOM 379 CB LEU A 25 89.494 -7.817 6.655 1.00 0.00 C ATOM 380 CG LEU A 25 88.470 -6.961 5.904 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.541 -6.268 6.907 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.204 -5.896 5.086 1.00 0.00 C ATOM 0 H LEU A 25 88.096 -9.948 6.356 1.00 0.00 H new ATOM 0 HA LEU A 25 90.276 -8.645 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.063 -8.177 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.363 -7.213 6.916 1.00 0.00 H new ATOM 0 HG LEU A 25 87.883 -7.599 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.814 -5.660 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.019 -7.020 7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.129 -5.631 7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.478 -5.285 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.789 -5.263 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.869 -6.381 4.371 1.00 0.00 H new ATOM 394 N ARG A 26 90.756 -10.937 6.977 1.00 0.00 N ATOM 395 CA ARG A 26 91.787 -11.723 7.692 1.00 0.00 C ATOM 396 C ARG A 26 92.534 -12.615 6.693 1.00 0.00 C ATOM 397 O ARG A 26 91.937 -13.378 5.960 1.00 0.00 O ATOM 398 CB ARG A 26 91.091 -12.558 8.775 1.00 0.00 C ATOM 399 CG ARG A 26 91.631 -13.982 8.772 1.00 0.00 C ATOM 400 CD ARG A 26 91.223 -14.686 10.065 1.00 0.00 C ATOM 401 NE ARG A 26 91.823 -16.052 10.095 1.00 0.00 N ATOM 402 CZ ARG A 26 91.848 -16.729 11.212 1.00 0.00 C ATOM 403 NH1 ARG A 26 91.355 -16.202 12.298 1.00 0.00 N ATOM 404 NH2 ARG A 26 92.367 -17.930 11.243 1.00 0.00 N ATOM 0 H ARG A 26 89.844 -11.388 6.901 1.00 0.00 H new ATOM 0 HA ARG A 26 92.518 -11.067 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 26 91.250 -12.103 9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 26 90.015 -12.569 8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.244 -14.527 7.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.717 -13.970 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 26 91.559 -14.110 10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.137 -14.752 10.129 1.00 0.00 H new ATOM 0 HE ARG A 26 92.213 -16.457 9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.952 -15.265 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 26 91.372 -16.727 13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.754 -18.341 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 26 92.385 -18.456 12.117 1.00 0.00 H new ATOM 418 N GLY A 27 93.834 -12.525 6.654 1.00 0.00 N ATOM 419 CA GLY A 27 94.600 -13.370 5.696 1.00 0.00 C ATOM 420 C GLY A 27 94.893 -12.565 4.431 1.00 0.00 C ATOM 421 O GLY A 27 95.500 -13.051 3.497 1.00 0.00 O ATOM 0 H GLY A 27 94.396 -11.907 7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.532 -13.703 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.030 -14.265 5.447 1.00 0.00 H new ATOM 425 N LYS A 28 94.471 -11.332 4.399 1.00 0.00 N ATOM 426 CA LYS A 28 94.725 -10.485 3.209 1.00 0.00 C ATOM 427 C LYS A 28 95.968 -9.639 3.483 1.00 0.00 C ATOM 428 O LYS A 28 96.177 -9.160 4.583 1.00 0.00 O ATOM 429 CB LYS A 28 93.524 -9.561 2.961 1.00 0.00 C ATOM 430 CG LYS A 28 92.261 -10.378 2.640 1.00 0.00 C ATOM 431 CD LYS A 28 92.432 -11.107 1.304 1.00 0.00 C ATOM 432 CE LYS A 28 91.190 -10.890 0.432 1.00 0.00 C ATOM 433 NZ LYS A 28 91.397 -11.538 -0.894 1.00 0.00 N ATOM 0 H LYS A 28 93.958 -10.875 5.153 1.00 0.00 H new ATOM 0 HA LYS A 28 94.875 -11.111 2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.348 -8.942 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.745 -8.885 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.073 -11.099 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.394 -9.719 2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 93.319 -10.738 0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.584 -12.172 1.477 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.311 -11.310 0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.004 -9.824 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.555 -11.392 -1.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 92.226 -11.118 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.554 -12.557 -0.761 1.00 0.00 H new ATOM 447 N ARG A 29 96.793 -9.452 2.499 1.00 0.00 N ATOM 448 CA ARG A 29 98.021 -8.635 2.693 1.00 0.00 C ATOM 449 C ARG A 29 97.623 -7.161 2.797 1.00 0.00 C ATOM 450 O ARG A 29 96.620 -6.742 2.255 1.00 0.00 O ATOM 451 CB ARG A 29 98.962 -8.844 1.501 1.00 0.00 C ATOM 452 CG ARG A 29 99.344 -10.325 1.397 1.00 0.00 C ATOM 453 CD ARG A 29 100.476 -10.493 0.380 1.00 0.00 C ATOM 454 NE ARG A 29 100.827 -11.941 0.251 1.00 0.00 N ATOM 455 CZ ARG A 29 101.563 -12.357 -0.750 1.00 0.00 C ATOM 456 NH1 ARG A 29 101.972 -11.512 -1.658 1.00 0.00 N ATOM 457 NH2 ARG A 29 101.885 -13.621 -0.846 1.00 0.00 N ATOM 0 H ARG A 29 96.671 -9.832 1.560 1.00 0.00 H new ATOM 0 HA ARG A 29 98.534 -8.937 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.477 -8.518 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.858 -8.235 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 29 99.658 -10.699 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.478 -10.914 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.170 -10.095 -0.588 1.00 0.00 H new ATOM 0 HD3 ARG A 29 101.350 -9.924 0.697 1.00 0.00 H new ATOM 0 HE ARG A 29 100.492 -12.608 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.719 -10.526 -1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 102.545 -11.838 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 29 101.563 -14.284 -0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 29 102.458 -13.944 -1.626 1.00 0.00 H new ATOM 471 N ASP A 30 98.390 -6.371 3.496 1.00 0.00 N ATOM 472 CA ASP A 30 98.043 -4.930 3.637 1.00 0.00 C ATOM 473 C ASP A 30 97.783 -4.336 2.254 1.00 0.00 C ATOM 474 O ASP A 30 98.376 -4.739 1.274 1.00 0.00 O ATOM 475 CB ASP A 30 99.215 -4.190 4.272 1.00 0.00 C ATOM 476 CG ASP A 30 99.453 -4.712 5.689 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.490 -5.114 6.323 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.597 -4.704 6.114 1.00 0.00 O ATOM 0 H ASP A 30 99.242 -6.661 3.976 1.00 0.00 H new ATOM 0 HA ASP A 30 97.155 -4.830 4.261 1.00 0.00 H new ATOM 0 HB2 ASP A 30 100.113 -4.327 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 30 99.009 -3.120 4.299 1.00 0.00 H new ATOM 483 N GLY A 31 96.904 -3.378 2.168 1.00 0.00 N ATOM 484 CA GLY A 31 96.616 -2.758 0.843 1.00 0.00 C ATOM 485 C GLY A 31 95.308 -3.316 0.290 1.00 0.00 C ATOM 486 O GLY A 31 94.684 -2.726 -0.572 1.00 0.00 O ATOM 0 H GLY A 31 96.374 -2.998 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.547 -1.675 0.944 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.432 -2.962 0.150 1.00 0.00 H new ATOM 490 N THR A 32 94.894 -4.455 0.767 1.00 0.00 N ATOM 491 CA THR A 32 93.633 -5.064 0.259 1.00 0.00 C ATOM 492 C THR A 32 92.437 -4.514 1.032 1.00 0.00 C ATOM 493 O THR A 32 92.360 -4.634 2.240 1.00 0.00 O ATOM 494 CB THR A 32 93.699 -6.584 0.439 1.00 0.00 C ATOM 495 OG1 THR A 32 94.859 -7.088 -0.210 1.00 0.00 O ATOM 496 CG2 THR A 32 92.454 -7.229 -0.172 1.00 0.00 C ATOM 0 H THR A 32 95.375 -4.992 1.488 1.00 0.00 H new ATOM 0 HA THR A 32 93.517 -4.820 -0.797 1.00 0.00 H new ATOM 0 HB THR A 32 93.744 -6.820 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.637 -7.335 -1.132 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.504 -8.310 -0.043 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.564 -6.844 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.406 -6.993 -1.235 1.00 0.00 H new ATOM 504 N PHE A 33 91.491 -3.921 0.352 1.00 0.00 N ATOM 505 CA PHE A 33 90.309 -3.382 1.077 1.00 0.00 C ATOM 506 C PHE A 33 89.028 -3.723 0.329 1.00 0.00 C ATOM 507 O PHE A 33 89.047 -4.147 -0.806 1.00 0.00 O ATOM 508 CB PHE A 33 90.441 -1.865 1.218 1.00 0.00 C ATOM 509 CG PHE A 33 89.649 -1.141 0.140 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.144 -1.053 -1.168 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.426 -0.536 0.460 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.411 -0.366 -2.148 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.702 0.146 -0.530 1.00 0.00 C ATOM 514 CZ PHE A 33 88.195 0.226 -1.823 1.00 0.00 C ATOM 0 H PHE A 33 91.487 -3.789 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 33 90.265 -3.835 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.087 -1.557 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.491 -1.581 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.088 -1.513 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.041 -0.595 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.792 -0.297 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.758 0.610 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.633 0.750 -2.581 1.00 0.00 H new ATOM 524 N LEU A 34 87.910 -3.542 0.968 1.00 0.00 N ATOM 525 CA LEU A 34 86.622 -3.853 0.298 1.00 0.00 C ATOM 526 C LEU A 34 85.584 -2.792 0.667 1.00 0.00 C ATOM 527 O LEU A 34 85.730 -2.081 1.643 1.00 0.00 O ATOM 528 CB LEU A 34 86.142 -5.241 0.725 1.00 0.00 C ATOM 529 CG LEU A 34 85.703 -5.221 2.187 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.188 -5.390 2.255 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.376 -6.378 2.931 1.00 0.00 C ATOM 0 H LEU A 34 87.832 -3.193 1.923 1.00 0.00 H new ATOM 0 HA LEU A 34 86.761 -3.848 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.312 -5.557 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.942 -5.968 0.588 1.00 0.00 H new ATOM 0 HG LEU A 34 85.989 -4.275 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 83.867 -5.377 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.706 -4.574 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 34 83.907 -6.340 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.066 -6.368 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 34 86.083 -7.323 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.459 -6.267 2.873 1.00 0.00 H new ATOM 543 N VAL A 35 84.543 -2.670 -0.116 1.00 0.00 N ATOM 544 CA VAL A 35 83.503 -1.642 0.176 1.00 0.00 C ATOM 545 C VAL A 35 82.213 -2.326 0.628 1.00 0.00 C ATOM 546 O VAL A 35 81.683 -3.190 -0.039 1.00 0.00 O ATOM 547 CB VAL A 35 83.250 -0.810 -1.091 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.949 -0.016 -0.960 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.403 0.174 -1.280 1.00 0.00 C ATOM 0 H VAL A 35 84.369 -3.239 -0.945 1.00 0.00 H new ATOM 0 HA VAL A 35 83.846 -0.985 0.975 1.00 0.00 H new ATOM 0 HB VAL A 35 83.175 -1.484 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.786 0.567 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.116 -0.704 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.017 0.655 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.231 0.768 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.464 0.833 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.338 -0.377 -1.383 1.00 0.00 H new ATOM 559 N ARG A 36 81.713 -1.944 1.766 1.00 0.00 N ATOM 560 CA ARG A 36 80.470 -2.566 2.286 1.00 0.00 C ATOM 561 C ARG A 36 79.655 -1.493 2.998 1.00 0.00 C ATOM 562 O ARG A 36 80.007 -0.331 2.983 1.00 0.00 O ATOM 563 CB ARG A 36 80.841 -3.674 3.275 1.00 0.00 C ATOM 564 CG ARG A 36 81.458 -3.052 4.529 1.00 0.00 C ATOM 565 CD ARG A 36 81.670 -4.127 5.586 1.00 0.00 C ATOM 566 NE ARG A 36 82.179 -3.492 6.827 1.00 0.00 N ATOM 567 CZ ARG A 36 82.066 -4.107 7.965 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.479 -5.270 8.019 1.00 0.00 N ATOM 569 NH2 ARG A 36 82.527 -3.553 9.054 1.00 0.00 N ATOM 0 H ARG A 36 82.116 -1.221 2.363 1.00 0.00 H new ATOM 0 HA ARG A 36 79.887 -2.993 1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.955 -4.251 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.546 -4.366 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.409 -2.579 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.805 -2.270 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.734 -4.648 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.379 -4.873 5.227 1.00 0.00 H new ATOM 0 HE ARG A 36 82.618 -2.572 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.110 -5.695 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 36 81.389 -5.755 8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.975 -2.638 9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.439 -4.035 9.948 1.00 0.00 H new ATOM 583 N GLU A 37 78.578 -1.855 3.631 1.00 0.00 N ATOM 584 CA GLU A 37 77.787 -0.832 4.333 1.00 0.00 C ATOM 585 C GLU A 37 78.025 -0.962 5.824 1.00 0.00 C ATOM 586 O GLU A 37 78.643 -1.900 6.287 1.00 0.00 O ATOM 587 CB GLU A 37 76.299 -1.039 4.038 1.00 0.00 C ATOM 588 CG GLU A 37 76.069 -2.458 3.520 1.00 0.00 C ATOM 589 CD GLU A 37 74.586 -2.824 3.643 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.950 -2.338 4.565 1.00 0.00 O ATOM 591 OE2 GLU A 37 74.115 -3.586 2.813 1.00 0.00 O ATOM 0 H GLU A 37 78.219 -2.808 3.689 1.00 0.00 H new ATOM 0 HA GLU A 37 78.087 0.159 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.713 -0.872 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.960 -0.313 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.385 -2.530 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.675 -3.164 4.087 1.00 0.00 H new ATOM 677 N TYR A 44 77.357 3.675 3.792 1.00 0.00 N ATOM 678 CA TYR A 44 78.416 2.902 3.087 1.00 0.00 C ATOM 679 C TYR A 44 79.695 2.926 3.927 1.00 0.00 C ATOM 680 O TYR A 44 79.900 3.813 4.732 1.00 0.00 O ATOM 681 CB TYR A 44 78.690 3.510 1.705 1.00 0.00 C ATOM 682 CG TYR A 44 77.449 3.431 0.840 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.776 2.211 0.668 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.977 4.583 0.202 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.634 2.151 -0.139 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.836 4.521 -0.605 1.00 0.00 C ATOM 687 CZ TYR A 44 75.165 3.305 -0.776 1.00 0.00 C ATOM 688 OH TYR A 44 74.038 3.246 -1.572 1.00 0.00 O ATOM 0 HA TYR A 44 78.081 1.873 2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.001 4.549 1.813 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.512 2.980 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.139 1.320 1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 44 77.494 5.522 0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.114 1.213 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.473 5.412 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 44 73.849 4.135 -1.937 1.00 0.00 H new ATOM 698 N ALA A 45 80.555 1.959 3.762 1.00 0.00 N ATOM 699 CA ALA A 45 81.806 1.943 4.570 1.00 0.00 C ATOM 700 C ALA A 45 82.889 1.153 3.842 1.00 0.00 C ATOM 701 O ALA A 45 82.636 0.099 3.290 1.00 0.00 O ATOM 702 CB ALA A 45 81.528 1.268 5.914 1.00 0.00 C ATOM 0 H ALA A 45 80.447 1.184 3.107 1.00 0.00 H new ATOM 0 HA ALA A 45 82.143 2.968 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.441 1.254 6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.756 1.823 6.447 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.189 0.246 5.745 1.00 0.00 H new ATOM 708 N CYS A 46 84.103 1.627 3.856 1.00 0.00 N ATOM 709 CA CYS A 46 85.185 0.866 3.185 1.00 0.00 C ATOM 710 C CYS A 46 86.124 0.323 4.259 1.00 0.00 C ATOM 711 O CYS A 46 86.621 1.052 5.091 1.00 0.00 O ATOM 712 CB CYS A 46 85.953 1.768 2.219 1.00 0.00 C ATOM 713 SG CYS A 46 86.747 3.113 3.127 1.00 0.00 S ATOM 0 H CYS A 46 84.388 2.500 4.299 1.00 0.00 H new ATOM 0 HA CYS A 46 84.759 0.045 2.609 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.704 1.186 1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 46 85.273 2.175 1.471 1.00 0.00 H new ATOM 0 HG CYS A 46 87.398 3.872 2.297 1.00 0.00 H new ATOM 719 N SER A 47 86.352 -0.957 4.260 1.00 0.00 N ATOM 720 CA SER A 47 87.243 -1.558 5.293 1.00 0.00 C ATOM 721 C SER A 47 88.564 -1.982 4.655 1.00 0.00 C ATOM 722 O SER A 47 88.590 -2.526 3.568 1.00 0.00 O ATOM 723 CB SER A 47 86.557 -2.777 5.904 1.00 0.00 C ATOM 724 OG SER A 47 87.421 -3.370 6.861 1.00 0.00 O ATOM 0 H SER A 47 85.960 -1.618 3.589 1.00 0.00 H new ATOM 0 HA SER A 47 87.442 -0.821 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.620 -2.483 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.309 -3.498 5.125 1.00 0.00 H new ATOM 0 HG SER A 47 87.318 -2.913 7.722 1.00 0.00 H new ATOM 730 N VAL A 48 89.666 -1.738 5.313 1.00 0.00 N ATOM 731 CA VAL A 48 90.977 -2.134 4.724 1.00 0.00 C ATOM 732 C VAL A 48 91.821 -2.875 5.759 1.00 0.00 C ATOM 733 O VAL A 48 91.569 -2.818 6.947 1.00 0.00 O ATOM 734 CB VAL A 48 91.742 -0.887 4.263 1.00 0.00 C ATOM 735 CG1 VAL A 48 92.010 0.027 5.460 1.00 0.00 C ATOM 736 CG2 VAL A 48 93.078 -1.297 3.631 1.00 0.00 C ATOM 0 H VAL A 48 89.715 -1.285 6.226 1.00 0.00 H new ATOM 0 HA VAL A 48 90.787 -2.788 3.873 1.00 0.00 H new ATOM 0 HB VAL A 48 91.140 -0.356 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.554 0.911 5.128 1.00 0.00 H new ATOM 0 HG12 VAL A 48 91.063 0.330 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.605 -0.508 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.615 -0.406 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.678 -1.835 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.892 -1.942 2.772 1.00 0.00 H new ATOM 746 N VAL A 49 92.838 -3.548 5.306 1.00 0.00 N ATOM 747 CA VAL A 49 93.740 -4.279 6.246 1.00 0.00 C ATOM 748 C VAL A 49 95.083 -3.557 6.274 1.00 0.00 C ATOM 749 O VAL A 49 95.676 -3.296 5.244 1.00 0.00 O ATOM 750 CB VAL A 49 93.947 -5.723 5.778 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.920 -6.443 6.720 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.608 -6.462 5.779 1.00 0.00 C ATOM 0 H VAL A 49 93.088 -3.626 4.320 1.00 0.00 H new ATOM 0 HA VAL A 49 93.293 -4.301 7.240 1.00 0.00 H new ATOM 0 HB VAL A 49 94.359 -5.712 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.062 -7.469 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.879 -5.924 6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.511 -6.448 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.759 -7.489 5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.195 -6.465 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.915 -5.960 5.104 1.00 0.00 H new ATOM 762 N VAL A 50 95.569 -3.212 7.430 1.00 0.00 N ATOM 763 CA VAL A 50 96.866 -2.488 7.479 1.00 0.00 C ATOM 764 C VAL A 50 97.507 -2.604 8.872 1.00 0.00 C ATOM 765 O VAL A 50 96.884 -3.029 9.823 1.00 0.00 O ATOM 766 CB VAL A 50 96.613 -1.017 7.171 1.00 0.00 C ATOM 767 CG1 VAL A 50 95.643 -0.449 8.202 1.00 0.00 C ATOM 768 CG2 VAL A 50 97.936 -0.243 7.226 1.00 0.00 C ATOM 0 H VAL A 50 95.131 -3.397 8.333 1.00 0.00 H new ATOM 0 HA VAL A 50 97.544 -2.927 6.747 1.00 0.00 H new ATOM 0 HB VAL A 50 96.184 -0.921 6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 50 95.458 0.603 7.987 1.00 0.00 H new ATOM 0 HG12 VAL A 50 94.703 -0.999 8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 50 96.074 -0.545 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.752 0.808 7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 50 98.370 -0.334 8.222 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.628 -0.652 6.490 1.00 0.00 H new ATOM 778 N ASP A 51 98.749 -2.208 8.982 1.00 0.00 N ATOM 779 CA ASP A 51 99.476 -2.255 10.289 1.00 0.00 C ATOM 780 C ASP A 51 99.152 -3.539 11.040 1.00 0.00 C ATOM 781 O ASP A 51 99.281 -3.611 12.246 1.00 0.00 O ATOM 782 CB ASP A 51 99.090 -1.053 11.157 1.00 0.00 C ATOM 783 CG ASP A 51 99.924 -1.071 12.444 1.00 0.00 C ATOM 784 OD1 ASP A 51 100.795 -1.918 12.550 1.00 0.00 O ATOM 785 OD2 ASP A 51 99.681 -0.234 13.299 1.00 0.00 O ATOM 0 H ASP A 51 99.302 -1.846 8.205 1.00 0.00 H new ATOM 0 HA ASP A 51 100.545 -2.224 10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 51 99.262 -0.125 10.611 1.00 0.00 H new ATOM 0 HB3 ASP A 51 98.027 -1.089 11.398 1.00 0.00 H new ATOM 790 N GLY A 52 98.760 -4.560 10.344 1.00 0.00 N ATOM 791 CA GLY A 52 98.464 -5.843 11.030 1.00 0.00 C ATOM 792 C GLY A 52 97.072 -5.817 11.669 1.00 0.00 C ATOM 793 O GLY A 52 96.642 -6.791 12.255 1.00 0.00 O ATOM 0 H GLY A 52 98.631 -4.565 9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 52 98.524 -6.664 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.216 -6.032 11.796 1.00 0.00 H new ATOM 797 N GLU A 53 96.364 -4.722 11.576 1.00 0.00 N ATOM 798 CA GLU A 53 95.012 -4.665 12.201 1.00 0.00 C ATOM 799 C GLU A 53 93.947 -4.390 11.145 1.00 0.00 C ATOM 800 O GLU A 53 94.158 -3.650 10.202 1.00 0.00 O ATOM 801 CB GLU A 53 94.983 -3.559 13.256 1.00 0.00 C ATOM 802 CG GLU A 53 93.565 -3.408 13.813 1.00 0.00 C ATOM 803 CD GLU A 53 93.102 -4.725 14.438 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.709 -5.143 15.408 1.00 0.00 O ATOM 805 OE2 GLU A 53 92.142 -5.290 13.939 1.00 0.00 O ATOM 0 H GLU A 53 96.661 -3.871 11.098 1.00 0.00 H new ATOM 0 HA GLU A 53 94.801 -5.626 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 95.677 -3.796 14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.313 -2.617 12.818 1.00 0.00 H new ATOM 0 HG2 GLU A 53 93.542 -2.614 14.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 92.882 -3.115 13.016 1.00 0.00 H new ATOM 812 N VAL A 54 92.803 -4.991 11.305 1.00 0.00 N ATOM 813 CA VAL A 54 91.700 -4.790 10.331 1.00 0.00 C ATOM 814 C VAL A 54 90.958 -3.494 10.672 1.00 0.00 C ATOM 815 O VAL A 54 90.550 -3.270 11.798 1.00 0.00 O ATOM 816 CB VAL A 54 90.753 -5.995 10.401 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.542 -5.756 9.504 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.498 -7.242 9.915 1.00 0.00 C ATOM 0 H VAL A 54 92.584 -5.620 12.078 1.00 0.00 H new ATOM 0 HA VAL A 54 92.094 -4.708 9.318 1.00 0.00 H new ATOM 0 HB VAL A 54 90.418 -6.133 11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 54 88.874 -6.615 9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.013 -4.863 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.873 -5.618 8.475 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.833 -8.104 9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.827 -7.092 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.365 -7.419 10.551 1.00 0.00 H new ATOM 828 N LYS A 55 90.801 -2.626 9.706 1.00 0.00 N ATOM 829 CA LYS A 55 90.114 -1.327 9.968 1.00 0.00 C ATOM 830 C LYS A 55 88.752 -1.283 9.283 1.00 0.00 C ATOM 831 O LYS A 55 88.499 -1.985 8.325 1.00 0.00 O ATOM 832 CB LYS A 55 90.967 -0.187 9.419 1.00 0.00 C ATOM 833 CG LYS A 55 92.097 0.126 10.394 1.00 0.00 C ATOM 834 CD LYS A 55 93.009 -1.090 10.557 1.00 0.00 C ATOM 835 CE LYS A 55 94.378 -0.613 11.060 1.00 0.00 C ATOM 836 NZ LYS A 55 95.413 -1.651 10.814 1.00 0.00 N ATOM 0 H LYS A 55 91.119 -2.761 8.746 1.00 0.00 H new ATOM 0 HA LYS A 55 89.976 -1.224 11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.378 -0.463 8.448 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.351 0.699 9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.675 0.976 10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.683 0.411 11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.573 -1.798 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.116 -1.612 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.655 0.312 10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.323 -0.391 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.724 -2.053 11.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 95.014 -2.406 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 96.226 -1.222 10.328 1.00 0.00 H new ATOM 850 N HIS A 56 87.877 -0.441 9.759 1.00 0.00 N ATOM 851 CA HIS A 56 86.534 -0.325 9.129 1.00 0.00 C ATOM 852 C HIS A 56 86.221 1.142 8.863 1.00 0.00 C ATOM 853 O HIS A 56 85.419 1.749 9.545 1.00 0.00 O ATOM 854 CB HIS A 56 85.468 -0.905 10.053 1.00 0.00 C ATOM 855 CG HIS A 56 85.730 -2.367 10.236 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.995 -3.205 9.167 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.771 -3.156 11.355 1.00 0.00 C ATOM 858 CE1 HIS A 56 86.185 -4.440 9.660 1.00 0.00 C ATOM 859 NE2 HIS A 56 86.059 -4.468 10.991 1.00 0.00 N ATOM 0 H HIS A 56 88.035 0.172 10.558 1.00 0.00 H new ATOM 0 HA HIS A 56 86.536 -0.879 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.486 -0.395 11.016 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.476 -0.750 9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.605 -2.812 12.365 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.412 -5.305 9.055 1.00 0.00 H new ATOM 0 HE2 HIS A 56 86.154 -5.276 11.606 1.00 0.00 H new ATOM 867 N CYS A 57 86.844 1.718 7.878 1.00 0.00 N ATOM 868 CA CYS A 57 86.577 3.147 7.572 1.00 0.00 C ATOM 869 C CYS A 57 85.121 3.310 7.140 1.00 0.00 C ATOM 870 O CYS A 57 84.580 2.508 6.404 1.00 0.00 O ATOM 871 CB CYS A 57 87.528 3.614 6.470 1.00 0.00 C ATOM 872 SG CYS A 57 87.292 5.381 6.170 1.00 0.00 S ATOM 0 H CYS A 57 87.526 1.262 7.272 1.00 0.00 H new ATOM 0 HA CYS A 57 86.745 3.758 8.459 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.560 3.419 6.761 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.343 3.052 5.555 1.00 0.00 H new ATOM 0 HG CYS A 57 88.104 5.774 5.234 1.00 0.00 H new ATOM 878 N VAL A 58 84.474 4.330 7.633 1.00 0.00 N ATOM 879 CA VAL A 58 83.038 4.542 7.300 1.00 0.00 C ATOM 880 C VAL A 58 82.857 5.537 6.152 1.00 0.00 C ATOM 881 O VAL A 58 83.525 6.548 6.069 1.00 0.00 O ATOM 882 CB VAL A 58 82.320 5.076 8.536 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.791 6.502 8.832 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.814 5.087 8.272 1.00 0.00 C ATOM 0 H VAL A 58 84.881 5.029 8.255 1.00 0.00 H new ATOM 0 HA VAL A 58 82.620 3.586 6.984 1.00 0.00 H new ATOM 0 HB VAL A 58 82.544 4.438 9.391 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.276 6.879 9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.866 6.500 9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.567 7.143 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.293 5.467 9.151 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.599 5.728 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.474 4.073 8.060 1.00 0.00 H new ATOM 894 N ILE A 59 81.932 5.248 5.276 1.00 0.00 N ATOM 895 CA ILE A 59 81.660 6.149 4.127 1.00 0.00 C ATOM 896 C ILE A 59 80.214 6.661 4.221 1.00 0.00 C ATOM 897 O ILE A 59 79.328 5.951 4.649 1.00 0.00 O ATOM 898 CB ILE A 59 81.846 5.355 2.831 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.283 4.820 2.765 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.563 6.252 1.624 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.261 5.958 2.468 1.00 0.00 C ATOM 0 H ILE A 59 81.347 4.413 5.312 1.00 0.00 H new ATOM 0 HA ILE A 59 82.343 6.999 4.139 1.00 0.00 H new ATOM 0 HB ILE A 59 81.148 4.518 2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.545 4.344 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.358 4.056 1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.697 5.680 0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.538 6.619 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.252 7.097 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.276 5.563 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.008 6.415 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.197 6.708 3.257 1.00 0.00 H new ATOM 913 N ASN A 60 79.962 7.883 3.823 1.00 0.00 N ATOM 914 CA ASN A 60 78.564 8.407 3.895 1.00 0.00 C ATOM 915 C ASN A 60 78.022 8.615 2.486 1.00 0.00 C ATOM 916 O ASN A 60 78.762 8.678 1.532 1.00 0.00 O ATOM 917 CB ASN A 60 78.533 9.736 4.650 1.00 0.00 C ATOM 918 CG ASN A 60 78.877 9.501 6.119 1.00 0.00 C ATOM 919 OD1 ASN A 60 79.631 10.251 6.707 1.00 0.00 O ATOM 920 ND2 ASN A 60 78.353 8.481 6.739 1.00 0.00 N ATOM 0 H ASN A 60 80.656 8.534 3.455 1.00 0.00 H new ATOM 0 HA ASN A 60 77.945 7.682 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 60 79.244 10.434 4.207 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.546 10.190 4.566 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.576 8.311 7.720 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.720 7.853 6.243 1.00 0.00 H new ATOM 1167 N SER A 77 82.391 10.518 -10.299 1.00 0.00 N ATOM 1168 CA SER A 77 81.817 9.226 -9.823 1.00 0.00 C ATOM 1169 C SER A 77 82.553 8.710 -8.581 1.00 0.00 C ATOM 1170 O SER A 77 83.688 9.062 -8.310 1.00 0.00 O ATOM 1171 CB SER A 77 81.914 8.187 -10.944 1.00 0.00 C ATOM 1172 OG SER A 77 81.235 7.005 -10.542 1.00 0.00 O ATOM 0 HA SER A 77 80.774 9.393 -9.552 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.474 8.580 -11.860 1.00 0.00 H new ATOM 0 HB3 SER A 77 82.959 7.965 -11.162 1.00 0.00 H new ATOM 0 HG SER A 77 81.292 6.336 -11.256 1.00 0.00 H new ATOM 1178 N LEU A 78 81.898 7.869 -7.826 1.00 0.00 N ATOM 1179 CA LEU A 78 82.522 7.304 -6.600 1.00 0.00 C ATOM 1180 C LEU A 78 83.796 6.542 -6.989 1.00 0.00 C ATOM 1181 O LEU A 78 84.729 6.445 -6.219 1.00 0.00 O ATOM 1182 CB LEU A 78 81.524 6.362 -5.912 1.00 0.00 C ATOM 1183 CG LEU A 78 80.328 7.167 -5.381 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.254 6.207 -4.861 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.786 8.079 -4.236 1.00 0.00 C ATOM 0 H LEU A 78 80.948 7.548 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 78 82.785 8.105 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 78 81.180 5.605 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 78 82.013 5.836 -5.092 1.00 0.00 H new ATOM 0 HG LEU A 78 79.918 7.774 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.406 6.779 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.923 5.558 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.668 5.600 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.935 8.648 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.199 7.472 -3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.550 8.766 -4.601 1.00 0.00 H new ATOM 1197 N LYS A 79 83.855 6.012 -8.185 1.00 0.00 N ATOM 1198 CA LYS A 79 85.085 5.281 -8.601 1.00 0.00 C ATOM 1199 C LYS A 79 86.280 6.202 -8.376 1.00 0.00 C ATOM 1200 O LYS A 79 87.308 5.798 -7.872 1.00 0.00 O ATOM 1201 CB LYS A 79 84.989 4.915 -10.085 1.00 0.00 C ATOM 1202 CG LYS A 79 83.952 3.807 -10.276 1.00 0.00 C ATOM 1203 CD LYS A 79 83.699 3.602 -11.770 1.00 0.00 C ATOM 1204 CE LYS A 79 82.745 2.424 -11.977 1.00 0.00 C ATOM 1205 NZ LYS A 79 82.359 2.353 -13.416 1.00 0.00 N ATOM 0 H LYS A 79 83.112 6.054 -8.883 1.00 0.00 H new ATOM 0 HA LYS A 79 85.197 4.365 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.710 5.792 -10.669 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.961 4.584 -10.452 1.00 0.00 H new ATOM 0 HG2 LYS A 79 84.306 2.880 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 79 83.023 4.072 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.274 4.507 -12.204 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.641 3.414 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 79 83.224 1.494 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.858 2.545 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 81.710 1.553 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 81.887 3.237 -13.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 83.211 2.219 -13.998 1.00 0.00 H new ATOM 1219 N GLU A 80 86.141 7.448 -8.721 1.00 0.00 N ATOM 1220 CA GLU A 80 87.257 8.398 -8.497 1.00 0.00 C ATOM 1221 C GLU A 80 87.498 8.510 -6.989 1.00 0.00 C ATOM 1222 O GLU A 80 88.621 8.607 -6.536 1.00 0.00 O ATOM 1223 CB GLU A 80 86.897 9.761 -9.086 1.00 0.00 C ATOM 1224 CG GLU A 80 88.101 10.697 -8.961 1.00 0.00 C ATOM 1225 CD GLU A 80 88.096 11.359 -7.583 1.00 0.00 C ATOM 1226 OE1 GLU A 80 87.179 11.092 -6.824 1.00 0.00 O ATOM 1227 OE2 GLU A 80 89.009 12.120 -7.310 1.00 0.00 O ATOM 0 H GLU A 80 85.305 7.848 -9.147 1.00 0.00 H new ATOM 0 HA GLU A 80 88.164 8.044 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.611 9.654 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 80 86.038 10.181 -8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 80 89.026 10.137 -9.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.065 11.458 -9.741 1.00 0.00 H new ATOM 1234 N LEU A 81 86.451 8.480 -6.204 1.00 0.00 N ATOM 1235 CA LEU A 81 86.630 8.564 -4.726 1.00 0.00 C ATOM 1236 C LEU A 81 87.504 7.399 -4.258 1.00 0.00 C ATOM 1237 O LEU A 81 88.460 7.577 -3.522 1.00 0.00 O ATOM 1238 CB LEU A 81 85.263 8.482 -4.044 1.00 0.00 C ATOM 1239 CG LEU A 81 85.452 8.539 -2.527 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.165 9.042 -1.869 1.00 0.00 C ATOM 1241 CD2 LEU A 81 85.799 7.144 -1.986 1.00 0.00 C ATOM 0 H LEU A 81 85.485 8.401 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 81 87.109 9.508 -4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.629 9.305 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.758 7.558 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 81 86.269 9.222 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.301 9.082 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.931 10.039 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.346 8.364 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.932 7.195 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 81 84.990 6.452 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 81 86.722 6.794 -2.448 1.00 0.00 H new ATOM 1253 N VAL A 82 87.201 6.207 -4.690 1.00 0.00 N ATOM 1254 CA VAL A 82 88.029 5.046 -4.281 1.00 0.00 C ATOM 1255 C VAL A 82 89.465 5.272 -4.773 1.00 0.00 C ATOM 1256 O VAL A 82 90.424 4.963 -4.093 1.00 0.00 O ATOM 1257 CB VAL A 82 87.474 3.770 -4.907 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.363 2.602 -4.507 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.053 3.513 -4.400 1.00 0.00 C ATOM 0 H VAL A 82 86.418 5.990 -5.306 1.00 0.00 H new ATOM 0 HA VAL A 82 88.014 4.945 -3.196 1.00 0.00 H new ATOM 0 HB VAL A 82 87.453 3.877 -5.991 1.00 0.00 H new ATOM 0 HG11 VAL A 82 87.977 1.683 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.378 2.778 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.372 2.507 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.665 2.600 -4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.068 3.403 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.413 4.353 -4.671 1.00 0.00 H new ATOM 1269 N LEU A 83 89.614 5.809 -5.959 1.00 0.00 N ATOM 1270 CA LEU A 83 90.983 6.056 -6.503 1.00 0.00 C ATOM 1271 C LEU A 83 91.712 7.085 -5.636 1.00 0.00 C ATOM 1272 O LEU A 83 92.907 7.017 -5.452 1.00 0.00 O ATOM 1273 CB LEU A 83 90.886 6.589 -7.934 1.00 0.00 C ATOM 1274 CG LEU A 83 90.397 5.477 -8.857 1.00 0.00 C ATOM 1275 CD1 LEU A 83 90.240 6.030 -10.273 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.421 4.343 -8.869 1.00 0.00 C ATOM 0 H LEU A 83 88.847 6.086 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 83 91.536 5.117 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.201 7.436 -7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.859 6.950 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 83 89.438 5.101 -8.501 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.891 5.239 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.516 6.845 -10.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 91.201 6.402 -10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.074 3.547 -9.528 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.378 4.721 -9.229 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.542 3.951 -7.859 1.00 0.00 H new ATOM 1288 N HIS A 84 91.011 8.049 -5.109 1.00 0.00 N ATOM 1289 CA HIS A 84 91.695 9.073 -4.268 1.00 0.00 C ATOM 1290 C HIS A 84 92.441 8.394 -3.120 1.00 0.00 C ATOM 1291 O HIS A 84 93.600 8.670 -2.879 1.00 0.00 O ATOM 1292 CB HIS A 84 90.669 10.059 -3.703 1.00 0.00 C ATOM 1293 CG HIS A 84 90.759 11.353 -4.461 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.210 11.406 -5.769 1.00 0.00 N ATOM 1295 CD2 HIS A 84 90.477 12.650 -4.107 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.185 12.694 -6.156 1.00 0.00 C ATOM 1297 NE2 HIS A 84 90.746 13.494 -5.180 1.00 0.00 N ATOM 0 H HIS A 84 90.005 8.173 -5.221 1.00 0.00 H new ATOM 0 HA HIS A 84 92.409 9.616 -4.888 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.664 9.644 -3.786 1.00 0.00 H new ATOM 0 HB3 HIS A 84 90.857 10.231 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 84 90.104 12.966 -3.144 1.00 0.00 H new ATOM 0 HE1 HIS A 84 91.483 13.039 -7.135 1.00 0.00 H new ATOM 0 HE2 HIS A 84 90.632 14.507 -5.214 1.00 0.00 H new ATOM 1305 N TYR A 85 91.803 7.507 -2.411 1.00 0.00 N ATOM 1306 CA TYR A 85 92.508 6.824 -1.289 1.00 0.00 C ATOM 1307 C TYR A 85 93.695 6.038 -1.841 1.00 0.00 C ATOM 1308 O TYR A 85 94.699 5.859 -1.182 1.00 0.00 O ATOM 1309 CB TYR A 85 91.557 5.873 -0.574 1.00 0.00 C ATOM 1310 CG TYR A 85 90.557 6.675 0.217 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.423 7.198 -0.414 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.769 6.902 1.581 1.00 0.00 C ATOM 1313 CE1 TYR A 85 88.499 7.947 0.322 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.846 7.652 2.317 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.710 8.174 1.687 1.00 0.00 C ATOM 1316 OH TYR A 85 87.801 8.916 2.412 1.00 0.00 O ATOM 0 H TYR A 85 90.833 7.226 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 85 92.860 7.573 -0.580 1.00 0.00 H new ATOM 0 HB2 TYR A 85 91.043 5.241 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 85 92.115 5.211 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.261 7.024 -1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.645 6.498 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 85 87.622 8.350 -0.163 1.00 0.00 H new ATOM 0 HE2 TYR A 85 90.009 7.828 3.370 1.00 0.00 H new ATOM 0 HH TYR A 85 88.098 8.977 3.344 1.00 0.00 H new ATOM 1326 N GLN A 86 93.586 5.573 -3.052 1.00 0.00 N ATOM 1327 CA GLN A 86 94.707 4.810 -3.654 1.00 0.00 C ATOM 1328 C GLN A 86 95.951 5.700 -3.729 1.00 0.00 C ATOM 1329 O GLN A 86 97.067 5.241 -3.582 1.00 0.00 O ATOM 1330 CB GLN A 86 94.308 4.362 -5.060 1.00 0.00 C ATOM 1331 CG GLN A 86 95.478 3.638 -5.710 1.00 0.00 C ATOM 1332 CD GLN A 86 95.069 3.175 -7.111 1.00 0.00 C ATOM 1333 OE1 GLN A 86 95.173 3.922 -8.064 1.00 0.00 O ATOM 1334 NE2 GLN A 86 94.598 1.968 -7.279 1.00 0.00 N ATOM 0 H GLN A 86 92.768 5.689 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 86 94.929 3.937 -3.041 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.440 3.704 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.021 5.225 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.342 4.300 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.774 2.782 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 86 94.510 1.339 -6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 86 94.319 1.654 -8.208 1.00 0.00 H new ATOM 1343 N HIS A 87 95.769 6.970 -3.968 1.00 0.00 N ATOM 1344 CA HIS A 87 96.944 7.883 -4.069 1.00 0.00 C ATOM 1345 C HIS A 87 97.195 8.589 -2.733 1.00 0.00 C ATOM 1346 O HIS A 87 98.214 9.223 -2.549 1.00 0.00 O ATOM 1347 CB HIS A 87 96.678 8.924 -5.157 1.00 0.00 C ATOM 1348 CG HIS A 87 96.485 8.228 -6.475 1.00 0.00 C ATOM 1349 ND1 HIS A 87 95.263 7.702 -6.862 1.00 0.00 N ATOM 1350 CD2 HIS A 87 97.351 7.963 -7.505 1.00 0.00 C ATOM 1351 CE1 HIS A 87 95.425 7.152 -8.078 1.00 0.00 C ATOM 1352 NE2 HIS A 87 96.681 7.283 -8.517 1.00 0.00 N ATOM 0 H HIS A 87 94.860 7.415 -4.097 1.00 0.00 H new ATOM 0 HA HIS A 87 97.827 7.297 -4.322 1.00 0.00 H new ATOM 0 HB2 HIS A 87 95.792 9.508 -4.908 1.00 0.00 H new ATOM 0 HB3 HIS A 87 97.513 9.622 -5.220 1.00 0.00 H new ATOM 0 HD1 HIS A 87 94.398 7.727 -6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 87 98.395 8.240 -7.527 1.00 0.00 H new ATOM 0 HE1 HIS A 87 94.637 6.664 -8.632 1.00 0.00 H new ATOM 1360 N THR A 88 96.286 8.502 -1.801 1.00 0.00 N ATOM 1361 CA THR A 88 96.511 9.191 -0.498 1.00 0.00 C ATOM 1362 C THR A 88 96.652 8.176 0.633 1.00 0.00 C ATOM 1363 O THR A 88 95.836 7.294 0.799 1.00 0.00 O ATOM 1364 CB THR A 88 95.339 10.128 -0.212 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.234 11.068 -1.270 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.583 10.866 1.102 1.00 0.00 C ATOM 0 H THR A 88 95.407 7.990 -1.882 1.00 0.00 H new ATOM 0 HA THR A 88 97.435 9.766 -0.559 1.00 0.00 H new ATOM 0 HB THR A 88 94.417 9.552 -0.134 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.483 11.673 -1.097 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.746 11.534 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.676 10.144 1.913 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.502 11.448 1.027 1.00 0.00 H new ATOM 1374 N SER A 89 97.686 8.312 1.418 1.00 0.00 N ATOM 1375 CA SER A 89 97.906 7.374 2.554 1.00 0.00 C ATOM 1376 C SER A 89 96.956 7.720 3.703 1.00 0.00 C ATOM 1377 O SER A 89 96.919 8.838 4.177 1.00 0.00 O ATOM 1378 CB SER A 89 99.346 7.515 3.034 1.00 0.00 C ATOM 1379 OG SER A 89 99.567 6.627 4.119 1.00 0.00 O ATOM 0 H SER A 89 98.394 9.040 1.319 1.00 0.00 H new ATOM 0 HA SER A 89 97.716 6.352 2.227 1.00 0.00 H new ATOM 0 HB2 SER A 89 100.036 7.292 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.539 8.542 3.344 1.00 0.00 H new ATOM 0 HG SER A 89 100.493 6.714 4.429 1.00 0.00 H new ATOM 1385 N LEU A 90 96.183 6.769 4.143 1.00 0.00 N ATOM 1386 CA LEU A 90 95.220 7.033 5.253 1.00 0.00 C ATOM 1387 C LEU A 90 95.956 7.313 6.579 1.00 0.00 C ATOM 1388 O LEU A 90 95.463 8.058 7.399 1.00 0.00 O ATOM 1389 CB LEU A 90 94.300 5.822 5.421 1.00 0.00 C ATOM 1390 CG LEU A 90 93.354 5.732 4.226 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.961 4.814 3.172 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.006 5.163 4.674 1.00 0.00 C ATOM 0 H LEU A 90 96.175 5.815 3.782 1.00 0.00 H new ATOM 0 HA LEU A 90 94.635 7.917 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.892 4.910 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.729 5.911 6.345 1.00 0.00 H new ATOM 0 HG LEU A 90 93.205 6.728 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.288 4.747 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.921 5.217 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 90 94.109 3.821 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.335 5.101 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.152 4.168 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.569 5.815 5.431 1.00 0.00 H new ATOM 1404 N VAL A 91 97.115 6.716 6.788 1.00 0.00 N ATOM 1405 CA VAL A 91 97.897 6.930 8.063 1.00 0.00 C ATOM 1406 C VAL A 91 97.024 7.638 9.111 1.00 0.00 C ATOM 1407 O VAL A 91 96.534 7.022 10.038 1.00 0.00 O ATOM 1408 CB VAL A 91 99.148 7.769 7.751 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.762 9.103 7.099 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.909 8.031 9.049 1.00 0.00 C ATOM 0 H VAL A 91 97.558 6.082 6.123 1.00 0.00 H new ATOM 0 HA VAL A 91 98.201 5.966 8.470 1.00 0.00 H new ATOM 0 HB VAL A 91 99.778 7.218 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.663 9.679 6.888 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.227 8.912 6.169 1.00 0.00 H new ATOM 0 HG13 VAL A 91 98.121 9.667 7.777 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.798 8.625 8.836 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.268 8.573 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.206 7.082 9.495 1.00 0.00 H new ATOM 1420 N GLN A 92 96.805 8.916 8.951 1.00 0.00 N ATOM 1421 CA GLN A 92 95.933 9.669 9.905 1.00 0.00 C ATOM 1422 C GLN A 92 96.525 9.659 11.320 1.00 0.00 C ATOM 1423 O GLN A 92 97.608 9.159 11.553 1.00 0.00 O ATOM 1424 CB GLN A 92 94.541 9.030 9.921 1.00 0.00 C ATOM 1425 CG GLN A 92 93.604 9.849 10.809 1.00 0.00 C ATOM 1426 CD GLN A 92 92.164 9.677 10.326 1.00 0.00 C ATOM 1427 OE1 GLN A 92 91.800 8.638 9.810 1.00 0.00 O ATOM 1428 NE2 GLN A 92 91.323 10.663 10.468 1.00 0.00 N ATOM 0 H GLN A 92 97.196 9.477 8.194 1.00 0.00 H new ATOM 0 HA GLN A 92 95.866 10.706 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.143 8.978 8.908 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.605 8.007 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.692 9.524 11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 92 93.885 10.902 10.779 1.00 0.00 H new ATOM 0 HE21 GLN A 92 91.628 11.535 10.901 1.00 0.00 H new ATOM 0 HE22 GLN A 92 90.360 10.563 10.146 1.00 0.00 H new ATOM 1437 N HIS A 93 95.815 10.217 12.270 1.00 0.00 N ATOM 1438 CA HIS A 93 96.332 10.257 13.667 1.00 0.00 C ATOM 1439 C HIS A 93 96.595 8.833 14.156 1.00 0.00 C ATOM 1440 O HIS A 93 97.542 8.583 14.874 1.00 0.00 O ATOM 1441 CB HIS A 93 95.307 10.955 14.572 1.00 0.00 C ATOM 1442 CG HIS A 93 95.298 12.424 14.245 1.00 0.00 C ATOM 1443 ND1 HIS A 93 96.151 13.321 14.867 1.00 0.00 N ATOM 1444 CD2 HIS A 93 94.574 13.160 13.340 1.00 0.00 C ATOM 1445 CE1 HIS A 93 95.926 14.534 14.331 1.00 0.00 C ATOM 1446 NE2 HIS A 93 94.973 14.493 13.395 1.00 0.00 N ATOM 0 H HIS A 93 94.899 10.646 12.135 1.00 0.00 H new ATOM 0 HA HIS A 93 97.267 10.816 13.698 1.00 0.00 H new ATOM 0 HB2 HIS A 93 94.316 10.528 14.420 1.00 0.00 H new ATOM 0 HB3 HIS A 93 95.563 10.803 15.621 1.00 0.00 H new ATOM 0 HD2 HIS A 93 93.811 12.765 12.685 1.00 0.00 H new ATOM 0 HE1 HIS A 93 96.451 15.432 14.622 1.00 0.00 H new ATOM 0 HE2 HIS A 93 94.615 15.271 12.840 1.00 0.00 H new ATOM 1454 N ASN A 94 95.785 7.891 13.758 1.00 0.00 N ATOM 1455 CA ASN A 94 96.020 6.488 14.196 1.00 0.00 C ATOM 1456 C ASN A 94 97.483 6.136 13.910 1.00 0.00 C ATOM 1457 O ASN A 94 98.067 5.284 14.546 1.00 0.00 O ATOM 1458 CB ASN A 94 95.099 5.538 13.412 1.00 0.00 C ATOM 1459 CG ASN A 94 93.642 5.766 13.824 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.761 5.819 12.988 1.00 0.00 O ATOM 1461 ND2 ASN A 94 93.349 5.903 15.087 1.00 0.00 N ATOM 0 H ASN A 94 94.976 8.031 13.153 1.00 0.00 H new ATOM 0 HA ASN A 94 95.807 6.386 15.260 1.00 0.00 H new ATOM 0 HB2 ASN A 94 95.214 5.707 12.341 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.382 4.503 13.603 1.00 0.00 H new ATOM 0 HD21 ASN A 94 92.382 6.054 15.373 1.00 0.00 H new ATOM 0 HD22 ASN A 94 94.087 5.859 15.790 1.00 0.00 H new ATOM 1468 N ASP A 95 98.072 6.802 12.953 1.00 0.00 N ATOM 1469 CA ASP A 95 99.493 6.537 12.600 1.00 0.00 C ATOM 1470 C ASP A 95 99.654 5.084 12.167 1.00 0.00 C ATOM 1471 O ASP A 95 100.752 4.576 12.069 1.00 0.00 O ATOM 1472 CB ASP A 95 100.392 6.808 13.809 1.00 0.00 C ATOM 1473 CG ASP A 95 100.392 8.305 14.113 1.00 0.00 C ATOM 1474 OD1 ASP A 95 100.314 9.081 13.176 1.00 0.00 O ATOM 1475 OD2 ASP A 95 100.461 8.653 15.281 1.00 0.00 O ATOM 0 H ASP A 95 97.621 7.527 12.395 1.00 0.00 H new ATOM 0 HA ASP A 95 99.782 7.196 11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.035 6.250 14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.407 6.467 13.606 1.00 0.00 H new ATOM 1480 N SER A 96 98.574 4.408 11.886 1.00 0.00 N ATOM 1481 CA SER A 96 98.699 2.994 11.441 1.00 0.00 C ATOM 1482 C SER A 96 97.844 2.767 10.205 1.00 0.00 C ATOM 1483 O SER A 96 97.688 1.656 9.735 1.00 0.00 O ATOM 1484 CB SER A 96 98.277 2.035 12.558 1.00 0.00 C ATOM 1485 OG SER A 96 96.962 2.363 12.988 1.00 0.00 O ATOM 0 H SER A 96 97.622 4.769 11.945 1.00 0.00 H new ATOM 0 HA SER A 96 99.743 2.796 11.197 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.309 1.006 12.200 1.00 0.00 H new ATOM 0 HB3 SER A 96 98.973 2.104 13.394 1.00 0.00 H new ATOM 0 HG SER A 96 96.689 1.750 13.702 1.00 0.00 H new ATOM 1491 N LEU A 97 97.324 3.815 9.649 1.00 0.00 N ATOM 1492 CA LEU A 97 96.521 3.677 8.418 1.00 0.00 C ATOM 1493 C LEU A 97 97.471 3.974 7.273 1.00 0.00 C ATOM 1494 O LEU A 97 97.125 4.577 6.281 1.00 0.00 O ATOM 1495 CB LEU A 97 95.364 4.674 8.442 1.00 0.00 C ATOM 1496 CG LEU A 97 94.514 4.418 9.685 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.400 5.460 9.788 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.892 3.030 9.591 1.00 0.00 C ATOM 0 H LEU A 97 97.422 4.768 9.998 1.00 0.00 H new ATOM 0 HA LEU A 97 96.085 2.683 8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.746 5.695 8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 97 94.757 4.569 7.543 1.00 0.00 H new ATOM 0 HG LEU A 97 95.149 4.485 10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.802 5.266 10.678 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.838 6.456 9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 97 92.765 5.402 8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 97 93.284 2.843 10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.265 2.972 8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.681 2.281 9.528 1.00 0.00 H new ATOM 1510 N ASN A 98 98.692 3.546 7.438 1.00 0.00 N ATOM 1511 CA ASN A 98 99.724 3.791 6.410 1.00 0.00 C ATOM 1512 C ASN A 98 99.488 2.834 5.252 1.00 0.00 C ATOM 1513 O ASN A 98 100.232 1.900 5.028 1.00 0.00 O ATOM 1514 CB ASN A 98 101.100 3.521 7.026 1.00 0.00 C ATOM 1515 CG ASN A 98 101.450 4.616 8.035 1.00 0.00 C ATOM 1516 OD1 ASN A 98 100.858 5.671 8.039 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.400 4.404 8.903 1.00 0.00 N ATOM 0 H ASN A 98 99.016 3.030 8.256 1.00 0.00 H new ATOM 0 HA ASN A 98 99.677 4.820 6.053 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.102 2.548 7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.857 3.483 6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.641 5.126 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 98 102.902 3.516 8.903 1.00 0.00 H new ATOM 1524 N VAL A 99 98.434 3.065 4.524 1.00 0.00 N ATOM 1525 CA VAL A 99 98.102 2.187 3.379 1.00 0.00 C ATOM 1526 C VAL A 99 97.175 2.932 2.425 1.00 0.00 C ATOM 1527 O VAL A 99 96.509 3.875 2.800 1.00 0.00 O ATOM 1528 CB VAL A 99 97.377 0.953 3.898 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.060 1.382 4.557 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.080 0.008 2.731 1.00 0.00 C ATOM 0 H VAL A 99 97.783 3.835 4.678 1.00 0.00 H new ATOM 0 HA VAL A 99 99.016 1.899 2.860 1.00 0.00 H new ATOM 0 HB VAL A 99 98.002 0.440 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.536 0.502 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.271 2.058 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.435 1.892 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 99 96.561 -0.876 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 99 96.452 0.518 2.001 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.015 -0.292 2.259 1.00 0.00 H new ATOM 1540 N THR A 100 97.108 2.505 1.205 1.00 0.00 N ATOM 1541 CA THR A 100 96.201 3.177 0.241 1.00 0.00 C ATOM 1542 C THR A 100 95.221 2.144 -0.298 1.00 0.00 C ATOM 1543 O THR A 100 95.546 0.980 -0.422 1.00 0.00 O ATOM 1544 CB THR A 100 97.014 3.753 -0.916 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.527 2.689 -1.707 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.168 4.587 -0.364 1.00 0.00 C ATOM 0 H THR A 100 97.640 1.720 0.830 1.00 0.00 H new ATOM 0 HA THR A 100 95.665 3.986 0.737 1.00 0.00 H new ATOM 0 HB THR A 100 96.375 4.387 -1.531 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.048 3.056 -2.451 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.748 4.998 -1.190 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.771 5.402 0.241 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.810 3.957 0.252 1.00 0.00 H new ATOM 1554 N LEU A 101 94.032 2.541 -0.637 1.00 0.00 N ATOM 1555 CA LEU A 101 93.071 1.542 -1.177 1.00 0.00 C ATOM 1556 C LEU A 101 93.508 1.203 -2.605 1.00 0.00 C ATOM 1557 O LEU A 101 92.872 1.581 -3.568 1.00 0.00 O ATOM 1558 CB LEU A 101 91.661 2.140 -1.185 1.00 0.00 C ATOM 1559 CG LEU A 101 91.265 2.569 0.235 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.976 3.390 0.179 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.033 1.337 1.109 1.00 0.00 C ATOM 0 H LEU A 101 93.685 3.498 -0.566 1.00 0.00 H new ATOM 0 HA LEU A 101 93.060 0.642 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.625 2.998 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.949 1.408 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 101 92.070 3.168 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.695 3.695 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.135 4.275 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.178 2.786 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.753 1.652 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.233 0.733 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 101 91.948 0.746 1.156 1.00 0.00 H new ATOM 1573 N ALA A 102 94.622 0.527 -2.744 1.00 0.00 N ATOM 1574 CA ALA A 102 95.139 0.201 -4.106 1.00 0.00 C ATOM 1575 C ALA A 102 94.774 -1.223 -4.549 1.00 0.00 C ATOM 1576 O ALA A 102 94.740 -1.503 -5.730 1.00 0.00 O ATOM 1577 CB ALA A 102 96.666 0.351 -4.116 1.00 0.00 C ATOM 0 H ALA A 102 95.195 0.187 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 102 94.673 0.894 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.048 0.114 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.933 1.376 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.103 -0.331 -3.386 1.00 0.00 H new ATOM 1583 N TYR A 103 94.532 -2.140 -3.646 1.00 0.00 N ATOM 1584 CA TYR A 103 94.218 -3.527 -4.101 1.00 0.00 C ATOM 1585 C TYR A 103 92.771 -3.907 -3.749 1.00 0.00 C ATOM 1586 O TYR A 103 92.333 -3.743 -2.629 1.00 0.00 O ATOM 1587 CB TYR A 103 95.179 -4.505 -3.423 1.00 0.00 C ATOM 1588 CG TYR A 103 94.910 -5.913 -3.910 1.00 0.00 C ATOM 1589 CD1 TYR A 103 95.465 -6.366 -5.114 1.00 0.00 C ATOM 1590 CD2 TYR A 103 94.111 -6.770 -3.146 1.00 0.00 C ATOM 1591 CE1 TYR A 103 95.214 -7.675 -5.552 1.00 0.00 C ATOM 1592 CE2 TYR A 103 93.862 -8.074 -3.582 1.00 0.00 C ATOM 1593 CZ TYR A 103 94.414 -8.528 -4.785 1.00 0.00 C ATOM 1594 OH TYR A 103 94.167 -9.819 -5.212 1.00 0.00 O ATOM 0 H TYR A 103 94.538 -1.994 -2.637 1.00 0.00 H new ATOM 0 HA TYR A 103 94.332 -3.574 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 103 96.210 -4.226 -3.642 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.058 -4.456 -2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.085 -5.708 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 103 93.685 -6.423 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 103 95.639 -8.024 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 103 93.243 -8.732 -2.990 1.00 0.00 H new ATOM 0 HH TYR A 103 93.594 -10.275 -4.561 1.00 0.00 H new ATOM 1604 N PRO A 104 92.042 -4.429 -4.710 1.00 0.00 N ATOM 1605 CA PRO A 104 90.622 -4.868 -4.521 1.00 0.00 C ATOM 1606 C PRO A 104 90.523 -6.204 -3.767 1.00 0.00 C ATOM 1607 O PRO A 104 91.388 -7.053 -3.874 1.00 0.00 O ATOM 1608 CB PRO A 104 90.119 -5.041 -5.952 1.00 0.00 C ATOM 1609 CG PRO A 104 91.326 -5.372 -6.755 1.00 0.00 C ATOM 1610 CD PRO A 104 92.494 -4.655 -6.093 1.00 0.00 C ATOM 0 HA PRO A 104 90.049 -4.155 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.375 -5.835 -6.014 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.643 -4.130 -6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.494 -6.449 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.206 -5.046 -7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.401 -5.260 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.721 -3.715 -6.596 1.00 0.00 H new ATOM 1618 N VAL A 105 89.472 -6.405 -3.020 1.00 0.00 N ATOM 1619 CA VAL A 105 89.319 -7.692 -2.279 1.00 0.00 C ATOM 1620 C VAL A 105 88.836 -8.787 -3.236 1.00 0.00 C ATOM 1621 O VAL A 105 88.928 -9.963 -2.945 1.00 0.00 O ATOM 1622 CB VAL A 105 88.299 -7.530 -1.160 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.920 -7.235 -1.764 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.252 -8.830 -0.346 1.00 0.00 C ATOM 0 H VAL A 105 88.713 -5.736 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 105 90.285 -7.970 -1.857 1.00 0.00 H new ATOM 0 HB VAL A 105 88.581 -6.702 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.189 -7.119 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.968 -6.316 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.622 -8.060 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.525 -8.729 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.961 -9.656 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.237 -9.030 0.077 1.00 0.00 H new ATOM 1634 N TYR A 106 88.303 -8.413 -4.370 1.00 0.00 N ATOM 1635 CA TYR A 106 87.808 -9.441 -5.335 1.00 0.00 C ATOM 1636 C TYR A 106 88.315 -9.144 -6.740 1.00 0.00 C ATOM 1637 O TYR A 106 87.546 -9.015 -7.667 1.00 0.00 O ATOM 1638 CB TYR A 106 86.276 -9.473 -5.345 1.00 0.00 C ATOM 1639 CG TYR A 106 85.794 -10.283 -4.172 1.00 0.00 C ATOM 1640 CD1 TYR A 106 85.994 -11.666 -4.161 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.166 -9.654 -3.093 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.566 -12.425 -3.070 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.741 -10.414 -1.998 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.943 -11.800 -1.987 1.00 0.00 C ATOM 1645 OH TYR A 106 84.541 -12.552 -0.907 1.00 0.00 O ATOM 0 H TYR A 106 88.189 -7.445 -4.669 1.00 0.00 H new ATOM 0 HA TYR A 106 88.186 -10.412 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.878 -8.460 -5.291 1.00 0.00 H new ATOM 0 HB3 TYR A 106 85.915 -9.908 -6.277 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.480 -12.148 -4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.010 -8.585 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.716 -13.494 -3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.257 -9.932 -1.161 1.00 0.00 H new ATOM 0 HH TYR A 106 84.126 -11.968 -0.238 1.00 0.00 H new ATOM 1655 N ALA A 107 89.601 -9.043 -6.913 1.00 0.00 N ATOM 1656 CA ALA A 107 90.147 -8.762 -8.269 1.00 0.00 C ATOM 1657 C ALA A 107 89.838 -9.930 -9.205 1.00 0.00 C ATOM 1658 O ALA A 107 90.051 -11.080 -8.875 1.00 0.00 O ATOM 1659 CB ALA A 107 91.664 -8.578 -8.183 1.00 0.00 C ATOM 0 H ALA A 107 90.298 -9.143 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 107 89.686 -7.853 -8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.062 -8.372 -9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.892 -7.743 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.119 -9.487 -7.791 1.00 0.00 H new