USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1085 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 67 CYS SG : rot -114:sc= -1.23! USER MOD Set 1.2: A 71 CYS SG : rot 93:sc= 0.115 USER MOD Set 1.3: A 98 SER OG : rot 84:sc= 2.05 USER MOD Set 2.1: A 37 TYR OH : rot -65:sc= -1.12 USER MOD Set 2.2: A 53 ASN : amide:sc= 1.28 K(o=0.16,f=-1.3) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= -0.233 USER MOD Set 3.2: A 52 THR OG1 : rot 170:sc= 0.00875 USER MOD Set 3.3: A 87 GLN : amide:sc= -2.19 K(o=-2.4,f=-4!) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc= -0.0631 (180deg=-0.474) USER MOD Single : A 13 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.49) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= -0.0124 (180deg=-0.15) USER MOD Single : A 22 ASN : amide:sc= -0.784 K(o=-0.78,f=-1.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= -0.0238 (180deg=-0.238) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= -0.1 (180deg=-0.482) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 1.13 (180deg=0.994) USER MOD Single : A 36 HIS : no HE2:sc= -0.845 K(o=-0.84,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -0.0342 (180deg=-0.184) USER MOD Single : A 46 THR OG1 : rot 10:sc= 1.11 USER MOD Single : A 47 ASN : amide:sc= -3.59! K(o=-3.6!,f=-1.2) USER MOD Single : A 48 MET CE :methyl -107:sc= -1.72 (180deg=-6.51!) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -7.38! C(o=-7.4!,f=-9!) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= -0.423 (180deg=-1.41!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.04) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.945 X(o=-0.95,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0164) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.557 X(o=-0.56,f=-1) USER MOD Single : A 99 TYR OH : rot -15:sc= 0.593 USER MOD Single : A 101 LYS NZ :NH3+ 150:sc= -1.13 (180deg=-2.35!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0519 (180deg=-0.344) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 168:sc=-0.00672 (180deg=-0.134) USER MOD Single : A 110 HIS : no HE2:sc= -0.523 K(o=-0.52,f=-1.8) USER MOD Single : A 112 TYR OH : rot -30:sc= -0.198 USER MOD Single : A 113 ASN : amide:sc= -1.02 K(o=-1,f=-0.017) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -160:sc= -3.24 USER MOD Single : A 119 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-3.5) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 156:sc= -0.155 (180deg=-0.678) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot 100:sc= -3.01! USER MOD Single : A 129 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.81) USER MOD Single : A 130 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.25) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -178:sc= 0.425 (180deg=0.405) USER MOD Single : A 138 GLN : amide:sc= -0.575 K(o=-0.58,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 24.995 -5.508 3.154 1.00 1.26 N ATOM 2 CA GLU A 9 24.869 -5.315 1.690 1.00 1.05 C ATOM 3 C GLU A 9 23.679 -4.402 1.399 1.00 0.90 C ATOM 4 O GLU A 9 23.184 -3.730 2.307 1.00 0.98 O ATOM 5 CB GLU A 9 24.717 -6.671 0.970 1.00 1.37 C ATOM 6 CG GLU A 9 23.367 -7.344 1.152 1.00 2.20 C ATOM 7 CD GLU A 9 23.028 -7.623 2.597 1.00 2.80 C ATOM 8 OE1 GLU A 9 22.551 -6.707 3.293 1.00 3.20 O ATOM 9 OE2 GLU A 9 23.226 -8.768 3.032 1.00 3.26 O ATOM 0 HA GLU A 9 25.776 -4.844 1.311 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.892 -6.522 -0.096 1.00 1.37 H new ATOM 0 HB3 GLU A 9 25.494 -7.346 1.329 1.00 1.37 H new ATOM 0 HG2 GLU A 9 22.592 -6.711 0.720 1.00 2.20 H new ATOM 0 HG3 GLU A 9 23.359 -8.282 0.597 1.00 2.20 H new ATOM 18 N ASN A 10 23.207 -4.373 0.154 1.00 0.79 N ATOM 19 CA ASN A 10 22.095 -3.494 -0.200 1.00 0.66 C ATOM 20 C ASN A 10 20.815 -3.908 0.521 1.00 0.59 C ATOM 21 O ASN A 10 19.979 -3.071 0.822 1.00 0.53 O ATOM 22 CB ASN A 10 21.850 -3.458 -1.714 1.00 0.62 C ATOM 23 CG ASN A 10 23.025 -2.899 -2.494 1.00 1.14 C ATOM 24 OD1 ASN A 10 23.773 -2.052 -2.002 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.193 -3.367 -3.718 1.00 1.45 N ATOM 0 H ASN A 10 23.570 -4.937 -0.614 1.00 0.79 H new ATOM 0 HA ASN A 10 22.375 -2.491 0.121 1.00 0.66 H new ATOM 0 HB2 ASN A 10 21.636 -4.467 -2.065 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.966 -2.855 -1.919 1.00 0.62 H new ATOM 0 HD21 ASN A 10 23.964 -3.027 -4.293 1.00 1.45 H new ATOM 0 HD22 ASN A 10 22.551 -4.068 -4.088 1.00 1.45 H new ATOM 32 N LYS A 11 20.678 -5.197 0.806 1.00 0.63 N ATOM 33 CA LYS A 11 19.494 -5.718 1.490 1.00 0.62 C ATOM 34 C LYS A 11 19.303 -5.056 2.853 1.00 0.62 C ATOM 35 O LYS A 11 18.236 -4.515 3.144 1.00 0.58 O ATOM 36 CB LYS A 11 19.598 -7.232 1.669 1.00 0.71 C ATOM 37 CG LYS A 11 19.890 -7.985 0.382 1.00 0.79 C ATOM 38 CD LYS A 11 19.606 -9.473 0.526 1.00 1.12 C ATOM 39 CE LYS A 11 18.126 -9.734 0.780 1.00 1.50 C ATOM 40 NZ LYS A 11 17.824 -11.182 0.914 1.00 2.19 N ATOM 0 H LYS A 11 21.374 -5.906 0.574 1.00 0.63 H new ATOM 0 HA LYS A 11 18.630 -5.487 0.867 1.00 0.62 H new ATOM 0 HB2 LYS A 11 20.384 -7.449 2.392 1.00 0.71 H new ATOM 0 HB3 LYS A 11 18.664 -7.603 2.092 1.00 0.71 H new ATOM 0 HG2 LYS A 11 19.284 -7.575 -0.426 1.00 0.79 H new ATOM 0 HG3 LYS A 11 20.933 -7.839 0.103 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.919 -9.994 -0.379 1.00 1.12 H new ATOM 0 HD3 LYS A 11 20.195 -9.880 1.348 1.00 1.12 H new ATOM 0 HE2 LYS A 11 17.819 -9.215 1.688 1.00 1.50 H new ATOM 0 HE3 LYS A 11 17.540 -9.317 -0.039 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 16.806 -11.310 1.086 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 18.092 -11.675 0.038 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 18.362 -11.576 1.712 1.00 2.19 H new ATOM 54 N LYS A 12 20.337 -5.104 3.686 1.00 0.70 N ATOM 55 CA LYS A 12 20.285 -4.480 5.004 1.00 0.74 C ATOM 56 C LYS A 12 20.128 -2.971 4.876 1.00 0.66 C ATOM 57 O LYS A 12 19.371 -2.348 5.625 1.00 0.63 O ATOM 58 CB LYS A 12 21.547 -4.802 5.804 1.00 0.90 C ATOM 59 CG LYS A 12 21.725 -6.278 6.113 1.00 1.54 C ATOM 60 CD LYS A 12 20.619 -6.809 7.008 1.00 2.02 C ATOM 61 CE LYS A 12 20.829 -8.279 7.330 1.00 2.38 C ATOM 62 NZ LYS A 12 22.154 -8.521 7.959 1.00 2.83 N ATOM 0 H LYS A 12 21.220 -5.568 3.473 1.00 0.70 H new ATOM 0 HA LYS A 12 19.421 -4.882 5.533 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.416 -4.451 5.248 1.00 0.90 H new ATOM 0 HB3 LYS A 12 21.522 -4.246 6.741 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.741 -6.844 5.182 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.689 -6.433 6.597 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.588 -6.233 7.933 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.655 -6.676 6.517 1.00 2.02 H new ATOM 0 HE2 LYS A 12 20.040 -8.621 8.000 1.00 2.38 H new ATOM 0 HE3 LYS A 12 20.747 -8.867 6.416 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 22.154 -9.453 8.421 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 22.894 -8.496 7.229 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 22.342 -7.783 8.668 1.00 2.83 H new ATOM 76 N GLN A 13 20.844 -2.391 3.919 1.00 0.64 N ATOM 77 CA GLN A 13 20.768 -0.972 3.653 1.00 0.59 C ATOM 78 C GLN A 13 19.363 -0.584 3.199 1.00 0.50 C ATOM 79 O GLN A 13 18.908 0.529 3.444 1.00 0.49 O ATOM 80 CB GLN A 13 21.789 -0.597 2.584 1.00 0.62 C ATOM 81 CG GLN A 13 22.190 0.857 2.628 1.00 0.90 C ATOM 82 CD GLN A 13 23.067 1.264 1.463 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.815 0.454 0.915 1.00 2.07 O ATOM 84 NE2 GLN A 13 22.982 2.523 1.075 1.00 2.26 N ATOM 0 H GLN A 13 21.489 -2.895 3.311 1.00 0.64 H new ATOM 0 HA GLN A 13 20.992 -0.429 4.571 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.678 -1.216 2.707 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.376 -0.824 1.601 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.293 1.476 2.634 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.719 1.054 3.560 1.00 0.90 H new ATOM 0 HE21 GLN A 13 22.350 3.163 1.555 1.00 2.26 H new ATOM 0 HE22 GLN A 13 23.549 2.856 0.295 1.00 2.26 H new ATOM 93 N ALA A 14 18.687 -1.511 2.530 1.00 0.46 N ATOM 94 CA ALA A 14 17.323 -1.291 2.067 1.00 0.38 C ATOM 95 C ALA A 14 16.386 -1.091 3.246 1.00 0.39 C ATOM 96 O ALA A 14 15.458 -0.288 3.188 1.00 0.36 O ATOM 97 CB ALA A 14 16.859 -2.462 1.211 1.00 0.36 C ATOM 0 H ALA A 14 19.065 -2.429 2.295 1.00 0.46 H new ATOM 0 HA ALA A 14 17.306 -0.387 1.458 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.838 -2.283 0.872 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.515 -2.564 0.347 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.891 -3.378 1.800 1.00 0.36 H new ATOM 103 N LEU A 15 16.638 -1.826 4.322 1.00 0.45 N ATOM 104 CA LEU A 15 15.856 -1.683 5.538 1.00 0.47 C ATOM 105 C LEU A 15 16.106 -0.294 6.113 1.00 0.49 C ATOM 106 O LEU A 15 15.184 0.386 6.564 1.00 0.49 O ATOM 107 CB LEU A 15 16.234 -2.788 6.540 1.00 0.54 C ATOM 108 CG LEU A 15 15.227 -3.071 7.670 1.00 1.13 C ATOM 109 CD1 LEU A 15 15.231 -1.965 8.713 1.00 1.98 C ATOM 110 CD2 LEU A 15 13.827 -3.264 7.106 1.00 1.31 C ATOM 0 H LEU A 15 17.378 -2.526 4.375 1.00 0.45 H new ATOM 0 HA LEU A 15 14.793 -1.789 5.323 1.00 0.47 H new ATOM 0 HB2 LEU A 15 16.390 -3.712 5.984 1.00 0.54 H new ATOM 0 HB3 LEU A 15 17.189 -2.524 6.994 1.00 0.54 H new ATOM 0 HG LEU A 15 15.537 -3.993 8.162 1.00 1.13 H new ATOM 0 HD11 LEU A 15 14.508 -2.199 9.495 1.00 1.98 H new ATOM 0 HD12 LEU A 15 16.225 -1.882 9.152 1.00 1.98 H new ATOM 0 HD13 LEU A 15 14.962 -1.020 8.242 1.00 1.98 H new ATOM 0 HD21 LEU A 15 13.131 -3.463 7.921 1.00 1.31 H new ATOM 0 HD22 LEU A 15 13.520 -2.361 6.578 1.00 1.31 H new ATOM 0 HD23 LEU A 15 13.826 -4.107 6.414 1.00 1.31 H new ATOM 122 N LYS A 16 17.365 0.127 6.050 1.00 0.51 N ATOM 123 CA LYS A 16 17.755 1.467 6.462 1.00 0.54 C ATOM 124 C LYS A 16 17.027 2.519 5.627 1.00 0.48 C ATOM 125 O LYS A 16 16.441 3.451 6.170 1.00 0.49 O ATOM 126 CB LYS A 16 19.267 1.643 6.309 1.00 0.62 C ATOM 127 CG LYS A 16 19.742 3.061 6.561 1.00 0.79 C ATOM 128 CD LYS A 16 21.170 3.253 6.098 1.00 1.64 C ATOM 129 CE LYS A 16 21.633 4.684 6.301 1.00 1.89 C ATOM 130 NZ LYS A 16 23.000 4.903 5.764 1.00 2.88 N ATOM 0 H LYS A 16 18.138 -0.448 5.714 1.00 0.51 H new ATOM 0 HA LYS A 16 17.481 1.599 7.509 1.00 0.54 H new ATOM 0 HB2 LYS A 16 19.774 0.971 7.001 1.00 0.62 H new ATOM 0 HB3 LYS A 16 19.559 1.344 5.302 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.091 3.763 6.040 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.669 3.288 7.625 1.00 0.79 H new ATOM 0 HD2 LYS A 16 21.825 2.576 6.646 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.250 2.990 5.043 1.00 1.64 H new ATOM 0 HE2 LYS A 16 20.937 5.364 5.811 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.617 4.924 7.364 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 23.281 5.892 5.922 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 23.669 4.272 6.249 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 23.009 4.699 4.744 1.00 2.88 H new ATOM 144 N GLU A 17 17.070 2.355 4.308 1.00 0.42 N ATOM 145 CA GLU A 17 16.407 3.271 3.389 1.00 0.38 C ATOM 146 C GLU A 17 14.898 3.313 3.628 1.00 0.35 C ATOM 147 O GLU A 17 14.268 4.361 3.466 1.00 0.34 O ATOM 148 CB GLU A 17 16.736 2.885 1.940 1.00 0.35 C ATOM 149 CG GLU A 17 18.130 3.306 1.514 1.00 0.39 C ATOM 150 CD GLU A 17 18.489 4.700 2.002 1.00 0.42 C ATOM 151 OE1 GLU A 17 17.924 5.683 1.479 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.337 4.822 2.917 1.00 0.54 O ATOM 0 H GLU A 17 17.562 1.588 3.850 1.00 0.42 H new ATOM 0 HA GLU A 17 16.782 4.277 3.574 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.638 1.805 1.827 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.005 3.343 1.273 1.00 0.35 H new ATOM 0 HG2 GLU A 17 18.856 2.591 1.900 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.199 3.276 0.427 1.00 0.39 H new ATOM 159 N LYS A 18 14.321 2.189 4.041 1.00 0.34 N ATOM 160 CA LYS A 18 12.906 2.158 4.382 1.00 0.34 C ATOM 161 C LYS A 18 12.649 3.019 5.621 1.00 0.40 C ATOM 162 O LYS A 18 11.689 3.788 5.666 1.00 0.41 O ATOM 163 CB LYS A 18 12.423 0.722 4.619 1.00 0.34 C ATOM 164 CG LYS A 18 10.905 0.607 4.691 1.00 0.33 C ATOM 165 CD LYS A 18 10.444 -0.760 5.187 1.00 0.36 C ATOM 166 CE LYS A 18 10.793 -0.997 6.650 1.00 0.50 C ATOM 167 NZ LYS A 18 10.059 -0.078 7.557 1.00 0.80 N ATOM 0 H LYS A 18 14.806 1.298 4.146 1.00 0.34 H new ATOM 0 HA LYS A 18 12.343 2.564 3.542 1.00 0.34 H new ATOM 0 HB2 LYS A 18 12.792 0.084 3.816 1.00 0.34 H new ATOM 0 HB3 LYS A 18 12.854 0.348 5.548 1.00 0.34 H new ATOM 0 HG2 LYS A 18 10.517 1.380 5.354 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.483 0.793 3.703 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.365 -0.846 5.056 1.00 0.36 H new ATOM 0 HD3 LYS A 18 10.903 -1.538 4.577 1.00 0.36 H new ATOM 0 HE2 LYS A 18 10.561 -2.029 6.915 1.00 0.50 H new ATOM 0 HE3 LYS A 18 11.866 -0.865 6.792 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 10.166 -0.401 8.540 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.446 0.883 7.465 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.051 -0.071 7.303 1.00 0.80 H new ATOM 181 N GLU A 19 13.530 2.899 6.614 1.00 0.46 N ATOM 182 CA GLU A 19 13.433 3.699 7.836 1.00 0.52 C ATOM 183 C GLU A 19 13.654 5.169 7.536 1.00 0.50 C ATOM 184 O GLU A 19 12.915 6.020 8.017 1.00 0.53 O ATOM 185 CB GLU A 19 14.465 3.250 8.864 1.00 0.58 C ATOM 186 CG GLU A 19 14.327 1.802 9.289 1.00 0.63 C ATOM 187 CD GLU A 19 15.376 1.403 10.300 1.00 1.32 C ATOM 188 OE1 GLU A 19 16.581 1.583 10.023 1.00 2.32 O ATOM 189 OE2 GLU A 19 15.006 0.890 11.374 1.00 1.29 O ATOM 0 H GLU A 19 14.320 2.254 6.596 1.00 0.46 H new ATOM 0 HA GLU A 19 12.431 3.554 8.240 1.00 0.52 H new ATOM 0 HB2 GLU A 19 15.462 3.403 8.452 1.00 0.58 H new ATOM 0 HB3 GLU A 19 14.384 3.885 9.746 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.336 1.642 9.714 1.00 0.63 H new ATOM 0 HG3 GLU A 19 14.406 1.159 8.413 1.00 0.63 H new ATOM 196 N LEU A 20 14.683 5.457 6.747 1.00 0.47 N ATOM 197 CA LEU A 20 14.994 6.824 6.351 1.00 0.46 C ATOM 198 C LEU A 20 13.806 7.456 5.654 1.00 0.43 C ATOM 199 O LEU A 20 13.493 8.626 5.870 1.00 0.45 O ATOM 200 CB LEU A 20 16.210 6.856 5.422 1.00 0.45 C ATOM 201 CG LEU A 20 17.559 7.140 6.088 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.551 8.514 6.734 1.00 0.58 C ATOM 203 CD2 LEU A 20 17.903 6.074 7.114 1.00 0.60 C ATOM 0 H LEU A 20 15.319 4.756 6.367 1.00 0.47 H new ATOM 0 HA LEU A 20 15.224 7.392 7.253 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.276 5.896 4.910 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.038 7.614 4.658 1.00 0.45 H new ATOM 0 HG LEU A 20 18.326 7.119 5.314 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.517 8.701 7.203 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.364 9.272 5.974 1.00 0.58 H new ATOM 0 HD13 LEU A 20 16.766 8.556 7.489 1.00 0.58 H new ATOM 0 HD21 LEU A 20 18.866 6.304 7.569 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.134 6.050 7.886 1.00 0.60 H new ATOM 0 HD23 LEU A 20 17.956 5.102 6.624 1.00 0.60 H new ATOM 215 N GLY A 21 13.151 6.677 4.809 1.00 0.39 N ATOM 216 CA GLY A 21 11.970 7.165 4.149 1.00 0.37 C ATOM 217 C GLY A 21 10.836 7.368 5.123 1.00 0.40 C ATOM 218 O GLY A 21 10.291 8.453 5.208 1.00 0.41 O ATOM 0 H GLY A 21 13.417 5.721 4.572 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.194 8.107 3.649 1.00 0.37 H new ATOM 0 HA3 GLY A 21 11.666 6.459 3.377 1.00 0.37 H new ATOM 222 N ASN A 22 10.507 6.334 5.882 1.00 0.43 N ATOM 223 CA ASN A 22 9.447 6.421 6.892 1.00 0.47 C ATOM 224 C ASN A 22 9.706 7.560 7.885 1.00 0.53 C ATOM 225 O ASN A 22 8.774 8.168 8.408 1.00 0.56 O ATOM 226 CB ASN A 22 9.334 5.098 7.654 1.00 0.52 C ATOM 227 CG ASN A 22 8.071 5.004 8.492 1.00 0.59 C ATOM 228 OD1 ASN A 22 7.045 5.603 8.169 1.00 1.27 O ATOM 229 ND2 ASN A 22 8.132 4.237 9.569 1.00 1.23 N ATOM 0 H ASN A 22 10.956 5.420 5.822 1.00 0.43 H new ATOM 0 HA ASN A 22 8.513 6.627 6.370 1.00 0.47 H new ATOM 0 HB2 ASN A 22 9.354 4.272 6.943 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.203 4.982 8.302 1.00 0.52 H new ATOM 0 HD21 ASN A 22 7.311 4.127 10.164 1.00 1.23 H new ATOM 0 HD22 ASN A 22 9.000 3.756 9.804 1.00 1.23 H new ATOM 236 N ASP A 23 10.973 7.844 8.136 1.00 0.54 N ATOM 237 CA ASP A 23 11.364 8.915 9.047 1.00 0.59 C ATOM 238 C ASP A 23 10.998 10.269 8.455 1.00 0.58 C ATOM 239 O ASP A 23 10.359 11.096 9.107 1.00 0.62 O ATOM 240 CB ASP A 23 12.868 8.843 9.303 1.00 0.61 C ATOM 241 CG ASP A 23 13.303 9.697 10.474 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.287 9.194 11.618 1.00 0.93 O ATOM 243 OD2 ASP A 23 13.684 10.867 10.259 1.00 0.79 O ATOM 0 H ASP A 23 11.758 7.344 7.719 1.00 0.54 H new ATOM 0 HA ASP A 23 10.832 8.794 9.991 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.151 7.807 9.489 1.00 0.61 H new ATOM 0 HB3 ASP A 23 13.401 9.163 8.407 1.00 0.61 H new ATOM 248 N ALA A 24 11.402 10.474 7.210 1.00 0.53 N ATOM 249 CA ALA A 24 11.027 11.660 6.453 1.00 0.53 C ATOM 250 C ALA A 24 9.510 11.711 6.281 1.00 0.53 C ATOM 251 O ALA A 24 8.897 12.775 6.331 1.00 0.58 O ATOM 252 CB ALA A 24 11.732 11.637 5.107 1.00 0.49 C ATOM 0 H ALA A 24 11.998 9.825 6.697 1.00 0.53 H new ATOM 0 HA ALA A 24 11.333 12.557 6.992 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.455 12.523 4.536 1.00 0.49 H new ATOM 0 HB2 ALA A 24 12.811 11.628 5.262 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.437 10.744 4.557 1.00 0.49 H new ATOM 258 N TYR A 25 8.926 10.533 6.114 1.00 0.48 N ATOM 259 CA TYR A 25 7.484 10.348 5.985 1.00 0.49 C ATOM 260 C TYR A 25 6.762 10.936 7.197 1.00 0.59 C ATOM 261 O TYR A 25 5.741 11.615 7.067 1.00 0.63 O ATOM 262 CB TYR A 25 7.212 8.845 5.870 1.00 0.46 C ATOM 263 CG TYR A 25 5.786 8.448 5.575 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.295 8.461 4.278 1.00 0.40 C ATOM 265 CD2 TYR A 25 4.921 8.105 6.601 1.00 0.64 C ATOM 266 CE1 TYR A 25 3.980 8.131 4.011 1.00 0.45 C ATOM 267 CE2 TYR A 25 3.604 7.779 6.347 1.00 0.68 C ATOM 268 CZ TYR A 25 3.186 7.642 5.019 1.00 0.54 C ATOM 269 OH TYR A 25 1.825 7.473 4.781 1.00 0.63 O ATOM 0 H TYR A 25 9.451 9.660 6.063 1.00 0.48 H new ATOM 0 HA TYR A 25 7.113 10.864 5.099 1.00 0.49 H new ATOM 0 HB2 TYR A 25 7.850 8.440 5.084 1.00 0.46 H new ATOM 0 HB3 TYR A 25 7.514 8.369 6.803 1.00 0.46 H new ATOM 0 HD1 TYR A 25 5.951 8.733 3.464 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.284 8.092 7.618 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.579 8.257 3.016 1.00 0.45 H new ATOM 0 HE2 TYR A 25 2.908 7.632 7.160 1.00 0.68 H new ATOM 0 HH TYR A 25 1.394 7.119 5.586 1.00 0.63 H new ATOM 279 N LYS A 26 7.322 10.681 8.370 1.00 0.65 N ATOM 280 CA LYS A 26 6.777 11.180 9.625 1.00 0.77 C ATOM 281 C LYS A 26 6.950 12.692 9.742 1.00 0.81 C ATOM 282 O LYS A 26 6.157 13.373 10.391 1.00 0.94 O ATOM 283 CB LYS A 26 7.473 10.486 10.795 1.00 0.82 C ATOM 284 CG LYS A 26 7.180 9.002 10.877 1.00 0.86 C ATOM 285 CD LYS A 26 8.155 8.303 11.802 1.00 1.03 C ATOM 286 CE LYS A 26 8.026 6.795 11.710 1.00 0.90 C ATOM 287 NZ LYS A 26 9.100 6.103 12.465 1.00 1.62 N ATOM 0 H LYS A 26 8.168 10.122 8.479 1.00 0.65 H new ATOM 0 HA LYS A 26 5.710 10.961 9.647 1.00 0.77 H new ATOM 0 HB2 LYS A 26 8.550 10.631 10.705 1.00 0.82 H new ATOM 0 HB3 LYS A 26 7.163 10.962 11.726 1.00 0.82 H new ATOM 0 HG2 LYS A 26 6.162 8.849 11.234 1.00 0.86 H new ATOM 0 HG3 LYS A 26 7.239 8.561 9.882 1.00 0.86 H new ATOM 0 HD2 LYS A 26 9.173 8.598 11.549 1.00 1.03 H new ATOM 0 HD3 LYS A 26 7.977 8.622 12.829 1.00 1.03 H new ATOM 0 HE2 LYS A 26 7.054 6.489 12.097 1.00 0.90 H new ATOM 0 HE3 LYS A 26 8.063 6.490 10.664 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 8.978 5.074 12.378 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 10.027 6.375 12.079 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 9.049 6.374 13.468 1.00 1.62 H new ATOM 301 N LYS A 27 7.986 13.215 9.102 1.00 0.75 N ATOM 302 CA LYS A 27 8.290 14.639 9.173 1.00 0.80 C ATOM 303 C LYS A 27 7.664 15.402 8.008 1.00 0.79 C ATOM 304 O LYS A 27 8.024 16.550 7.747 1.00 0.84 O ATOM 305 CB LYS A 27 9.803 14.852 9.184 1.00 0.80 C ATOM 306 CG LYS A 27 10.465 14.332 10.447 1.00 1.16 C ATOM 307 CD LYS A 27 10.149 15.197 11.660 1.00 1.58 C ATOM 308 CE LYS A 27 10.773 16.581 11.557 1.00 1.93 C ATOM 309 NZ LYS A 27 12.257 16.522 11.498 1.00 2.31 N ATOM 0 H LYS A 27 8.632 12.674 8.527 1.00 0.75 H new ATOM 0 HA LYS A 27 7.863 15.027 10.098 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.241 14.354 8.319 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.016 15.916 9.080 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.134 13.311 10.635 1.00 1.16 H new ATOM 0 HG3 LYS A 27 11.544 14.295 10.301 1.00 1.16 H new ATOM 0 HD2 LYS A 27 9.068 15.294 11.763 1.00 1.58 H new ATOM 0 HD3 LYS A 27 10.512 14.703 12.561 1.00 1.58 H new ATOM 0 HE2 LYS A 27 10.395 17.083 10.667 1.00 1.93 H new ATOM 0 HE3 LYS A 27 10.468 17.180 12.415 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 12.650 17.467 11.684 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 12.607 15.855 12.215 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 12.554 16.203 10.554 1.00 2.31 H new ATOM 323 N LYS A 28 6.724 14.754 7.319 1.00 0.77 N ATOM 324 CA LYS A 28 6.057 15.329 6.147 1.00 0.80 C ATOM 325 C LYS A 28 7.047 15.678 5.041 1.00 0.71 C ATOM 326 O LYS A 28 6.742 16.460 4.140 1.00 0.75 O ATOM 327 CB LYS A 28 5.231 16.545 6.545 1.00 0.96 C ATOM 328 CG LYS A 28 4.021 16.188 7.389 1.00 1.07 C ATOM 329 CD LYS A 28 3.311 17.426 7.890 1.00 1.24 C ATOM 330 CE LYS A 28 2.002 17.079 8.579 1.00 1.77 C ATOM 331 NZ LYS A 28 1.047 16.407 7.657 1.00 2.39 N ATOM 0 H LYS A 28 6.403 13.816 7.557 1.00 0.77 H new ATOM 0 HA LYS A 28 5.385 14.570 5.746 1.00 0.80 H new ATOM 0 HB2 LYS A 28 5.861 17.240 7.099 1.00 0.96 H new ATOM 0 HB3 LYS A 28 4.900 17.063 5.645 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.330 15.584 6.800 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.334 15.579 8.237 1.00 1.07 H new ATOM 0 HD2 LYS A 28 3.958 17.961 8.585 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.116 18.098 7.054 1.00 1.24 H new ATOM 0 HE2 LYS A 28 2.202 16.429 9.431 1.00 1.77 H new ATOM 0 HE3 LYS A 28 1.547 17.988 8.972 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.084 16.475 8.044 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.079 16.870 6.726 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.309 15.406 7.555 1.00 2.39 H new ATOM 345 N ASP A 29 8.224 15.076 5.107 1.00 0.64 N ATOM 346 CA ASP A 29 9.202 15.172 4.046 1.00 0.59 C ATOM 347 C ASP A 29 8.922 14.070 3.042 1.00 0.50 C ATOM 348 O ASP A 29 9.765 13.211 2.786 1.00 0.47 O ATOM 349 CB ASP A 29 10.620 15.042 4.610 1.00 0.60 C ATOM 350 CG ASP A 29 11.115 16.319 5.254 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.120 17.369 4.581 1.00 1.62 O ATOM 352 OD2 ASP A 29 11.491 16.282 6.446 1.00 1.39 O ATOM 0 H ASP A 29 8.524 14.508 5.899 1.00 0.64 H new ATOM 0 HA ASP A 29 9.130 16.144 3.559 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.641 14.238 5.346 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.301 14.758 3.807 1.00 0.60 H new ATOM 357 N PHE A 30 7.717 14.104 2.486 1.00 0.49 N ATOM 358 CA PHE A 30 7.194 13.004 1.692 1.00 0.44 C ATOM 359 C PHE A 30 8.039 12.721 0.457 1.00 0.42 C ATOM 360 O PHE A 30 8.270 11.563 0.130 1.00 0.43 O ATOM 361 CB PHE A 30 5.730 13.258 1.320 1.00 0.45 C ATOM 362 CG PHE A 30 4.817 13.234 2.517 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.478 12.041 3.135 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.285 14.412 3.015 1.00 0.64 C ATOM 365 CE1 PHE A 30 3.628 12.025 4.224 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.435 14.402 4.104 1.00 0.71 C ATOM 367 CZ PHE A 30 3.154 13.172 4.745 1.00 0.66 C ATOM 0 H PHE A 30 7.078 14.894 2.574 1.00 0.49 H new ATOM 0 HA PHE A 30 7.244 12.107 2.310 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.647 14.225 0.824 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.405 12.503 0.604 1.00 0.45 H new ATOM 0 HD1 PHE A 30 4.883 11.112 2.761 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.538 15.351 2.546 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.340 11.081 4.663 1.00 0.58 H new ATOM 0 HE2 PHE A 30 2.991 15.320 4.461 1.00 0.71 H new ATOM 0 HZ PHE A 30 2.562 13.154 5.648 1.00 0.66 H new ATOM 377 N ASP A 31 8.531 13.751 -0.218 1.00 0.46 N ATOM 378 CA ASP A 31 9.373 13.511 -1.387 1.00 0.48 C ATOM 379 C ASP A 31 10.667 12.840 -0.961 1.00 0.44 C ATOM 380 O ASP A 31 11.126 11.902 -1.600 1.00 0.42 O ATOM 381 CB ASP A 31 9.682 14.796 -2.167 1.00 0.57 C ATOM 382 CG ASP A 31 10.754 15.656 -1.531 1.00 1.30 C ATOM 383 OD1 ASP A 31 10.427 16.429 -0.603 1.00 1.61 O ATOM 384 OD2 ASP A 31 11.922 15.563 -1.948 1.00 1.93 O ATOM 0 H ASP A 31 8.370 14.732 0.012 1.00 0.46 H new ATOM 0 HA ASP A 31 8.815 12.856 -2.057 1.00 0.48 H new ATOM 0 HB2 ASP A 31 9.995 14.530 -3.177 1.00 0.57 H new ATOM 0 HB3 ASP A 31 8.768 15.382 -2.260 1.00 0.57 H new ATOM 389 N THR A 32 11.231 13.310 0.140 1.00 0.45 N ATOM 390 CA THR A 32 12.452 12.746 0.675 1.00 0.45 C ATOM 391 C THR A 32 12.216 11.300 1.113 1.00 0.39 C ATOM 392 O THR A 32 13.064 10.426 0.927 1.00 0.38 O ATOM 393 CB THR A 32 12.937 13.581 1.873 1.00 0.50 C ATOM 394 OG1 THR A 32 13.170 14.934 1.459 1.00 0.57 O ATOM 395 CG2 THR A 32 14.201 13.004 2.489 1.00 0.52 C ATOM 0 H THR A 32 10.856 14.088 0.682 1.00 0.45 H new ATOM 0 HA THR A 32 13.216 12.761 -0.103 1.00 0.45 H new ATOM 0 HB THR A 32 12.157 13.557 2.634 1.00 0.50 H new ATOM 0 HG1 THR A 32 13.477 15.462 2.225 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.510 13.623 3.331 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.006 11.989 2.836 1.00 0.52 H new ATOM 0 HG23 THR A 32 14.994 12.986 1.742 1.00 0.52 H new ATOM 403 N ALA A 33 11.045 11.065 1.680 1.00 0.38 N ATOM 404 CA ALA A 33 10.634 9.735 2.093 1.00 0.36 C ATOM 405 C ALA A 33 10.496 8.827 0.896 1.00 0.30 C ATOM 406 O ALA A 33 11.027 7.727 0.888 1.00 0.28 O ATOM 407 CB ALA A 33 9.314 9.811 2.836 1.00 0.39 C ATOM 0 H ALA A 33 10.353 11.791 1.867 1.00 0.38 H new ATOM 0 HA ALA A 33 11.397 9.325 2.754 1.00 0.36 H new ATOM 0 HB1 ALA A 33 9.011 8.810 3.143 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.428 10.442 3.717 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.552 10.236 2.182 1.00 0.39 H new ATOM 413 N LEU A 34 9.785 9.301 -0.108 1.00 0.29 N ATOM 414 CA LEU A 34 9.580 8.546 -1.328 1.00 0.26 C ATOM 415 C LEU A 34 10.925 8.308 -2.013 1.00 0.26 C ATOM 416 O LEU A 34 11.166 7.251 -2.589 1.00 0.26 O ATOM 417 CB LEU A 34 8.627 9.316 -2.243 1.00 0.28 C ATOM 418 CG LEU A 34 7.797 8.480 -3.217 1.00 0.33 C ATOM 419 CD1 LEU A 34 8.204 8.765 -4.648 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.908 6.998 -2.907 1.00 0.53 C ATOM 0 H LEU A 34 9.335 10.216 -0.101 1.00 0.29 H new ATOM 0 HA LEU A 34 9.136 7.577 -1.100 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.944 9.891 -1.618 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.212 10.033 -2.820 1.00 0.28 H new ATOM 0 HG LEU A 34 6.752 8.765 -3.095 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.601 8.160 -5.325 1.00 0.81 H new ATOM 0 HD12 LEU A 34 8.047 9.821 -4.868 1.00 0.81 H new ATOM 0 HD13 LEU A 34 9.257 8.520 -4.782 1.00 0.81 H new ATOM 0 HD21 LEU A 34 7.306 6.432 -3.618 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.950 6.687 -2.985 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.548 6.810 -1.896 1.00 0.53 H new ATOM 432 N LYS A 35 11.797 9.305 -1.919 1.00 0.31 N ATOM 433 CA LYS A 35 13.165 9.208 -2.413 1.00 0.33 C ATOM 434 C LYS A 35 13.874 8.026 -1.755 1.00 0.29 C ATOM 435 O LYS A 35 14.465 7.178 -2.427 1.00 0.30 O ATOM 436 CB LYS A 35 13.914 10.502 -2.077 1.00 0.40 C ATOM 437 CG LYS A 35 14.687 11.120 -3.231 1.00 0.49 C ATOM 438 CD LYS A 35 13.769 11.631 -4.335 1.00 0.53 C ATOM 439 CE LYS A 35 12.868 12.759 -3.846 1.00 0.60 C ATOM 440 NZ LYS A 35 13.635 13.935 -3.353 1.00 1.41 N ATOM 0 H LYS A 35 11.574 10.206 -1.497 1.00 0.31 H new ATOM 0 HA LYS A 35 13.149 9.058 -3.493 1.00 0.33 H new ATOM 0 HB2 LYS A 35 13.195 11.234 -1.709 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.609 10.300 -1.262 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.296 11.943 -2.858 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.372 10.379 -3.645 1.00 0.49 H new ATOM 0 HD2 LYS A 35 14.370 11.983 -5.173 1.00 0.53 H new ATOM 0 HD3 LYS A 35 13.155 10.810 -4.706 1.00 0.53 H new ATOM 0 HE2 LYS A 35 12.212 13.073 -4.658 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.228 12.386 -3.046 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 12.975 14.697 -3.096 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.190 13.662 -2.517 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.276 14.269 -4.100 1.00 1.41 H new ATOM 454 N HIS A 36 13.788 7.987 -0.432 1.00 0.29 N ATOM 455 CA HIS A 36 14.398 6.934 0.378 1.00 0.29 C ATOM 456 C HIS A 36 13.729 5.588 0.139 1.00 0.25 C ATOM 457 O HIS A 36 14.391 4.559 0.029 1.00 0.27 O ATOM 458 CB HIS A 36 14.274 7.299 1.854 1.00 0.38 C ATOM 459 CG HIS A 36 15.311 8.243 2.350 1.00 0.38 C ATOM 460 ND1 HIS A 36 16.667 8.021 2.244 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.166 9.427 2.967 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.314 9.041 2.780 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.423 9.912 3.227 1.00 0.46 N ATOM 0 H HIS A 36 13.290 8.689 0.116 1.00 0.29 H new ATOM 0 HA HIS A 36 15.446 6.850 0.091 1.00 0.29 H new ATOM 0 HB2 HIS A 36 13.291 7.738 2.024 1.00 0.38 H new ATOM 0 HB3 HIS A 36 14.322 6.385 2.446 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.101 7.201 1.820 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.231 9.909 3.213 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.387 9.146 2.843 1.00 0.47 H new ATOM 472 N TYR A 37 12.412 5.612 0.073 1.00 0.22 N ATOM 473 CA TYR A 37 11.623 4.412 -0.122 1.00 0.21 C ATOM 474 C TYR A 37 11.924 3.770 -1.473 1.00 0.21 C ATOM 475 O TYR A 37 12.143 2.561 -1.557 1.00 0.24 O ATOM 476 CB TYR A 37 10.141 4.754 0.003 1.00 0.22 C ATOM 477 CG TYR A 37 9.600 4.653 1.408 1.00 0.23 C ATOM 478 CD1 TYR A 37 9.786 3.504 2.156 1.00 0.33 C ATOM 479 CD2 TYR A 37 8.868 5.687 1.970 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.264 3.389 3.424 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.330 5.576 3.234 1.00 0.41 C ATOM 482 CZ TYR A 37 8.532 4.424 3.956 1.00 0.36 C ATOM 483 OH TYR A 37 7.979 4.294 5.204 1.00 0.48 O ATOM 0 H TYR A 37 11.859 6.465 0.153 1.00 0.22 H new ATOM 0 HA TYR A 37 11.887 3.686 0.647 1.00 0.21 H new ATOM 0 HB2 TYR A 37 9.981 5.768 -0.364 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.570 4.087 -0.643 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.350 2.684 1.738 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.716 6.596 1.407 1.00 0.37 H new ATOM 0 HE1 TYR A 37 9.429 2.490 3.999 1.00 0.40 H new ATOM 0 HE2 TYR A 37 7.754 6.388 3.654 1.00 0.41 H new ATOM 0 HH TYR A 37 7.304 3.583 5.190 1.00 0.48 H new ATOM 493 N ASP A 38 11.950 4.590 -2.521 1.00 0.25 N ATOM 494 CA ASP A 38 12.329 4.127 -3.856 1.00 0.31 C ATOM 495 C ASP A 38 13.750 3.587 -3.846 1.00 0.30 C ATOM 496 O ASP A 38 14.082 2.651 -4.578 1.00 0.32 O ATOM 497 CB ASP A 38 12.242 5.266 -4.870 1.00 0.42 C ATOM 498 CG ASP A 38 10.993 5.222 -5.729 1.00 0.78 C ATOM 499 OD1 ASP A 38 10.909 4.364 -6.632 1.00 0.68 O ATOM 500 OD2 ASP A 38 10.063 6.015 -5.472 1.00 1.51 O ATOM 0 H ASP A 38 11.713 5.581 -2.472 1.00 0.25 H new ATOM 0 HA ASP A 38 11.636 3.335 -4.142 1.00 0.31 H new ATOM 0 HB2 ASP A 38 12.274 6.217 -4.339 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.119 5.233 -5.517 1.00 0.42 H new ATOM 505 N LYS A 39 14.587 4.196 -3.012 1.00 0.30 N ATOM 506 CA LYS A 39 15.971 3.776 -2.864 1.00 0.32 C ATOM 507 C LYS A 39 16.035 2.370 -2.282 1.00 0.29 C ATOM 508 O LYS A 39 16.798 1.532 -2.752 1.00 0.32 O ATOM 509 CB LYS A 39 16.736 4.756 -1.968 1.00 0.35 C ATOM 510 CG LYS A 39 18.226 4.475 -1.898 1.00 0.41 C ATOM 511 CD LYS A 39 18.879 4.642 -3.258 1.00 0.47 C ATOM 512 CE LYS A 39 20.311 4.148 -3.249 1.00 0.54 C ATOM 513 NZ LYS A 39 20.945 4.255 -4.589 1.00 1.25 N ATOM 0 H LYS A 39 14.325 4.988 -2.425 1.00 0.30 H new ATOM 0 HA LYS A 39 16.439 3.770 -3.849 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.582 5.770 -2.338 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.319 4.717 -0.962 1.00 0.35 H new ATOM 0 HG2 LYS A 39 18.693 5.151 -1.182 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.391 3.461 -1.534 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.308 4.093 -4.007 1.00 0.47 H new ATOM 0 HD3 LYS A 39 18.857 5.693 -3.547 1.00 0.47 H new ATOM 0 HE2 LYS A 39 20.889 4.725 -2.527 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.334 3.110 -2.919 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 21.924 3.907 -4.539 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.409 3.684 -5.273 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 20.947 5.249 -4.894 1.00 1.25 H new ATOM 527 N ALA A 40 15.211 2.112 -1.271 1.00 0.25 N ATOM 528 CA ALA A 40 15.151 0.796 -0.645 1.00 0.24 C ATOM 529 C ALA A 40 14.732 -0.266 -1.656 1.00 0.22 C ATOM 530 O ALA A 40 15.178 -1.406 -1.586 1.00 0.26 O ATOM 531 CB ALA A 40 14.199 0.818 0.543 1.00 0.22 C ATOM 0 H ALA A 40 14.574 2.799 -0.867 1.00 0.25 H new ATOM 0 HA ALA A 40 16.147 0.541 -0.283 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.165 -0.171 1.000 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.549 1.545 1.276 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.201 1.096 0.204 1.00 0.22 H new ATOM 537 N LYS A 41 13.887 0.124 -2.604 1.00 0.23 N ATOM 538 CA LYS A 41 13.483 -0.765 -3.688 1.00 0.26 C ATOM 539 C LYS A 41 14.665 -1.065 -4.609 1.00 0.31 C ATOM 540 O LYS A 41 14.798 -2.171 -5.133 1.00 0.37 O ATOM 541 CB LYS A 41 12.339 -0.134 -4.481 1.00 0.29 C ATOM 542 CG LYS A 41 11.951 -0.876 -5.753 1.00 0.41 C ATOM 543 CD LYS A 41 11.550 -2.313 -5.473 1.00 0.78 C ATOM 544 CE LYS A 41 11.031 -2.998 -6.728 1.00 0.89 C ATOM 545 NZ LYS A 41 11.994 -2.921 -7.860 1.00 1.37 N ATOM 0 H LYS A 41 13.467 1.053 -2.644 1.00 0.23 H new ATOM 0 HA LYS A 41 13.139 -1.705 -3.257 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.463 -0.068 -3.836 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.619 0.886 -4.744 1.00 0.29 H new ATOM 0 HG2 LYS A 41 11.124 -0.357 -6.238 1.00 0.41 H new ATOM 0 HG3 LYS A 41 12.789 -0.863 -6.450 1.00 0.41 H new ATOM 0 HD2 LYS A 41 12.407 -2.863 -5.085 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.781 -2.334 -4.701 1.00 0.78 H new ATOM 0 HE2 LYS A 41 10.820 -4.044 -6.506 1.00 0.89 H new ATOM 0 HE3 LYS A 41 10.088 -2.538 -7.025 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 11.665 -3.528 -8.638 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 12.061 -1.938 -8.192 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 12.930 -3.244 -7.542 1.00 1.37 H new ATOM 559 N GLU A 42 15.521 -0.071 -4.810 1.00 0.32 N ATOM 560 CA GLU A 42 16.712 -0.247 -5.630 1.00 0.38 C ATOM 561 C GLU A 42 17.740 -1.099 -4.901 1.00 0.40 C ATOM 562 O GLU A 42 18.602 -1.723 -5.522 1.00 0.50 O ATOM 563 CB GLU A 42 17.314 1.107 -6.003 1.00 0.43 C ATOM 564 CG GLU A 42 16.439 1.912 -6.944 1.00 1.11 C ATOM 565 CD GLU A 42 16.109 1.149 -8.210 1.00 1.81 C ATOM 566 OE1 GLU A 42 16.929 1.173 -9.154 1.00 2.03 O ATOM 567 OE2 GLU A 42 15.026 0.530 -8.271 1.00 2.78 O ATOM 0 H GLU A 42 15.413 0.864 -4.417 1.00 0.32 H new ATOM 0 HA GLU A 42 16.422 -0.760 -6.547 1.00 0.38 H new ATOM 0 HB2 GLU A 42 17.485 1.684 -5.094 1.00 0.43 H new ATOM 0 HB3 GLU A 42 18.287 0.949 -6.468 1.00 0.43 H new ATOM 0 HG2 GLU A 42 15.515 2.185 -6.434 1.00 1.11 H new ATOM 0 HG3 GLU A 42 16.946 2.841 -7.203 1.00 1.11 H new ATOM 574 N LEU A 43 17.643 -1.114 -3.582 1.00 0.36 N ATOM 575 CA LEU A 43 18.516 -1.934 -2.762 1.00 0.39 C ATOM 576 C LEU A 43 17.972 -3.347 -2.665 1.00 0.39 C ATOM 577 O LEU A 43 18.730 -4.317 -2.722 1.00 0.49 O ATOM 578 CB LEU A 43 18.697 -1.319 -1.379 1.00 0.39 C ATOM 579 CG LEU A 43 19.829 -0.301 -1.282 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.671 0.751 -2.339 1.00 0.42 C ATOM 581 CD2 LEU A 43 19.848 0.350 0.076 1.00 0.45 C ATOM 0 H LEU A 43 16.964 -0.564 -3.055 1.00 0.36 H new ATOM 0 HA LEU A 43 19.497 -1.977 -3.236 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.765 -0.836 -1.085 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.882 -2.118 -0.661 1.00 0.39 H new ATOM 0 HG LEU A 43 20.771 -0.828 -1.432 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.485 1.472 -2.260 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.695 0.284 -3.324 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.718 1.263 -2.203 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.663 1.072 0.122 1.00 0.45 H new ATOM 0 HD22 LEU A 43 18.901 0.861 0.248 1.00 0.45 H new ATOM 0 HD23 LEU A 43 19.994 -0.411 0.842 1.00 0.45 H new ATOM 593 N ASP A 44 16.659 -3.473 -2.533 1.00 0.32 N ATOM 594 CA ASP A 44 16.037 -4.781 -2.582 1.00 0.33 C ATOM 595 C ASP A 44 14.780 -4.761 -3.437 1.00 0.32 C ATOM 596 O ASP A 44 13.742 -4.235 -3.033 1.00 0.33 O ATOM 597 CB ASP A 44 15.703 -5.316 -1.198 1.00 0.40 C ATOM 598 CG ASP A 44 15.532 -6.819 -1.221 1.00 0.46 C ATOM 599 OD1 ASP A 44 14.420 -7.287 -1.540 1.00 0.52 O ATOM 600 OD2 ASP A 44 16.497 -7.544 -0.892 1.00 1.11 O ATOM 0 H ASP A 44 16.014 -2.695 -2.393 1.00 0.32 H new ATOM 0 HA ASP A 44 16.769 -5.450 -3.034 1.00 0.33 H new ATOM 0 HB2 ASP A 44 16.496 -5.048 -0.500 1.00 0.40 H new ATOM 0 HB3 ASP A 44 14.788 -4.848 -0.835 1.00 0.40 H new ATOM 605 N PRO A 45 14.864 -5.347 -4.634 1.00 0.41 N ATOM 606 CA PRO A 45 13.761 -5.375 -5.592 1.00 0.49 C ATOM 607 C PRO A 45 12.658 -6.370 -5.231 1.00 0.47 C ATOM 608 O PRO A 45 11.566 -6.325 -5.794 1.00 0.59 O ATOM 609 CB PRO A 45 14.447 -5.796 -6.889 1.00 0.64 C ATOM 610 CG PRO A 45 15.585 -6.634 -6.439 1.00 0.63 C ATOM 611 CD PRO A 45 16.064 -6.015 -5.161 1.00 0.52 C ATOM 0 HA PRO A 45 13.250 -4.413 -5.637 1.00 0.49 H new ATOM 0 HB2 PRO A 45 13.770 -6.356 -7.535 1.00 0.64 H new ATOM 0 HB3 PRO A 45 14.789 -4.932 -7.458 1.00 0.64 H new ATOM 0 HG2 PRO A 45 15.273 -7.666 -6.281 1.00 0.63 H new ATOM 0 HG3 PRO A 45 16.378 -6.652 -7.187 1.00 0.63 H new ATOM 0 HD2 PRO A 45 16.442 -6.766 -4.468 1.00 0.52 H new ATOM 0 HD3 PRO A 45 16.874 -5.307 -5.337 1.00 0.52 H new ATOM 619 N THR A 46 12.939 -7.256 -4.286 1.00 0.39 N ATOM 620 CA THR A 46 12.021 -8.343 -3.974 1.00 0.40 C ATOM 621 C THR A 46 11.245 -8.094 -2.685 1.00 0.40 C ATOM 622 O THR A 46 10.251 -8.770 -2.406 1.00 0.42 O ATOM 623 CB THR A 46 12.775 -9.673 -3.861 1.00 0.42 C ATOM 624 OG1 THR A 46 13.852 -9.555 -2.918 1.00 0.45 O ATOM 625 CG2 THR A 46 13.328 -10.096 -5.209 1.00 0.46 C ATOM 0 H THR A 46 13.790 -7.244 -3.725 1.00 0.39 H new ATOM 0 HA THR A 46 11.306 -8.392 -4.795 1.00 0.40 H new ATOM 0 HB THR A 46 12.072 -10.431 -3.516 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.770 -8.708 -2.432 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.859 -11.042 -5.104 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.508 -10.217 -5.917 1.00 0.46 H new ATOM 0 HG23 THR A 46 14.015 -9.333 -5.576 1.00 0.46 H new ATOM 633 N ASN A 47 11.700 -7.138 -1.893 1.00 0.52 N ATOM 634 CA ASN A 47 11.028 -6.807 -0.648 1.00 0.56 C ATOM 635 C ASN A 47 9.815 -5.942 -0.933 1.00 0.56 C ATOM 636 O ASN A 47 9.906 -4.714 -0.985 1.00 0.89 O ATOM 637 CB ASN A 47 11.985 -6.101 0.311 1.00 0.78 C ATOM 638 CG ASN A 47 11.448 -6.022 1.729 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.650 -6.928 2.535 1.00 2.13 O ATOM 640 ND2 ASN A 47 10.773 -4.935 2.049 1.00 1.47 N ATOM 0 H ASN A 47 12.530 -6.579 -2.089 1.00 0.52 H new ATOM 0 HA ASN A 47 10.697 -7.729 -0.170 1.00 0.56 H new ATOM 0 HB2 ASN A 47 12.939 -6.628 0.318 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.180 -5.093 -0.055 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.399 -4.826 2.992 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.625 -4.203 1.354 1.00 1.47 H new ATOM 647 N MET A 48 8.679 -6.610 -1.117 1.00 0.29 N ATOM 648 CA MET A 48 7.418 -5.956 -1.462 1.00 0.26 C ATOM 649 C MET A 48 7.099 -4.821 -0.495 1.00 0.24 C ATOM 650 O MET A 48 6.492 -3.817 -0.866 1.00 0.24 O ATOM 651 CB MET A 48 6.281 -6.984 -1.448 1.00 0.22 C ATOM 652 CG MET A 48 5.740 -7.319 -0.061 1.00 0.19 C ATOM 653 SD MET A 48 4.343 -6.288 0.430 1.00 1.05 S ATOM 654 CE MET A 48 3.188 -6.639 -0.890 1.00 0.27 C ATOM 0 H MET A 48 8.606 -7.624 -1.031 1.00 0.29 H new ATOM 0 HA MET A 48 7.518 -5.532 -2.461 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.462 -6.608 -2.061 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.634 -7.902 -1.917 1.00 0.22 H new ATOM 0 HG2 MET A 48 5.435 -8.365 -0.041 1.00 0.19 H new ATOM 0 HG3 MET A 48 6.540 -7.206 0.670 1.00 0.19 H new ATOM 0 HE1 MET A 48 3.122 -5.777 -1.554 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.532 -7.506 -1.454 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.205 -6.848 -0.468 1.00 0.27 H new ATOM 664 N THR A 49 7.545 -4.990 0.739 1.00 0.24 N ATOM 665 CA THR A 49 7.233 -4.068 1.809 1.00 0.26 C ATOM 666 C THR A 49 7.793 -2.665 1.540 1.00 0.28 C ATOM 667 O THR A 49 7.236 -1.669 2.002 1.00 0.39 O ATOM 668 CB THR A 49 7.778 -4.612 3.138 1.00 0.29 C ATOM 669 OG1 THR A 49 7.286 -5.944 3.345 1.00 0.71 O ATOM 670 CG2 THR A 49 7.370 -3.729 4.298 1.00 0.64 C ATOM 0 H THR A 49 8.134 -5.773 1.023 1.00 0.24 H new ATOM 0 HA THR A 49 6.148 -3.978 1.867 1.00 0.26 H new ATOM 0 HB THR A 49 8.867 -4.622 3.087 1.00 0.29 H new ATOM 0 HG1 THR A 49 7.634 -6.293 4.192 1.00 0.71 H new ATOM 0 HG21 THR A 49 7.770 -4.139 5.225 1.00 0.64 H new ATOM 0 HG22 THR A 49 7.763 -2.724 4.146 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.282 -3.688 4.359 1.00 0.64 H new ATOM 678 N TYR A 50 8.878 -2.579 0.777 1.00 0.23 N ATOM 679 CA TYR A 50 9.448 -1.278 0.452 1.00 0.23 C ATOM 680 C TYR A 50 8.537 -0.563 -0.522 1.00 0.26 C ATOM 681 O TYR A 50 8.248 0.621 -0.372 1.00 0.42 O ATOM 682 CB TYR A 50 10.855 -1.402 -0.147 1.00 0.21 C ATOM 683 CG TYR A 50 11.862 -2.041 0.780 1.00 0.22 C ATOM 684 CD1 TYR A 50 11.773 -1.884 2.159 1.00 0.28 C ATOM 685 CD2 TYR A 50 12.907 -2.800 0.275 1.00 0.25 C ATOM 686 CE1 TYR A 50 12.694 -2.469 3.003 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.830 -3.384 1.115 1.00 0.31 C ATOM 688 CZ TYR A 50 13.720 -3.220 2.476 1.00 0.34 C ATOM 689 OH TYR A 50 14.637 -3.818 3.312 1.00 0.44 O ATOM 0 H TYR A 50 9.372 -3.378 0.379 1.00 0.23 H new ATOM 0 HA TYR A 50 9.535 -0.707 1.376 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.798 -1.988 -1.065 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.210 -0.409 -0.424 1.00 0.21 H new ATOM 0 HD1 TYR A 50 10.970 -1.295 2.576 1.00 0.28 H new ATOM 0 HD2 TYR A 50 12.999 -2.935 -0.793 1.00 0.25 H new ATOM 0 HE1 TYR A 50 12.610 -2.338 4.072 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.639 -3.970 0.705 1.00 0.31 H new ATOM 0 HH TYR A 50 15.141 -4.495 2.814 1.00 0.44 H new ATOM 699 N ILE A 51 8.042 -1.324 -1.481 1.00 0.18 N ATOM 700 CA ILE A 51 7.220 -0.796 -2.551 1.00 0.19 C ATOM 701 C ILE A 51 5.889 -0.262 -2.027 1.00 0.19 C ATOM 702 O ILE A 51 5.432 0.806 -2.438 1.00 0.22 O ATOM 703 CB ILE A 51 6.955 -1.883 -3.602 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.272 -2.452 -4.118 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.137 -1.325 -4.749 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.110 -3.727 -4.917 1.00 0.33 C ATOM 0 H ILE A 51 8.200 -2.330 -1.539 1.00 0.18 H new ATOM 0 HA ILE A 51 7.766 0.031 -3.005 1.00 0.19 H new ATOM 0 HB ILE A 51 6.387 -2.687 -3.133 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.763 -1.703 -4.740 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.931 -2.645 -3.272 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.959 -2.110 -5.484 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.183 -0.959 -4.371 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.680 -0.505 -5.218 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.088 -4.074 -5.251 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.648 -4.492 -4.292 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.477 -3.535 -5.784 1.00 0.33 H new ATOM 718 N THR A 52 5.276 -1.002 -1.113 1.00 0.20 N ATOM 719 CA THR A 52 3.995 -0.606 -0.543 1.00 0.24 C ATOM 720 C THR A 52 4.139 0.667 0.279 1.00 0.24 C ATOM 721 O THR A 52 3.206 1.463 0.390 1.00 0.27 O ATOM 722 CB THR A 52 3.419 -1.719 0.348 1.00 0.27 C ATOM 723 OG1 THR A 52 4.358 -2.062 1.374 1.00 0.28 O ATOM 724 CG2 THR A 52 3.098 -2.951 -0.469 1.00 0.26 C ATOM 0 H THR A 52 5.645 -1.881 -0.750 1.00 0.20 H new ATOM 0 HA THR A 52 3.312 -0.424 -1.373 1.00 0.24 H new ATOM 0 HB THR A 52 2.500 -1.348 0.801 1.00 0.27 H new ATOM 0 HG1 THR A 52 3.927 -2.650 2.029 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.692 -3.724 0.183 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.364 -2.699 -1.234 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.007 -3.319 -0.946 1.00 0.26 H new ATOM 732 N ASN A 53 5.317 0.852 0.855 1.00 0.25 N ATOM 733 CA ASN A 53 5.603 2.045 1.629 1.00 0.27 C ATOM 734 C ASN A 53 5.945 3.221 0.720 1.00 0.24 C ATOM 735 O ASN A 53 5.665 4.370 1.060 1.00 0.27 O ATOM 736 CB ASN A 53 6.725 1.779 2.626 1.00 0.34 C ATOM 737 CG ASN A 53 6.220 1.182 3.927 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.890 1.904 4.870 1.00 1.59 O ATOM 739 ND2 ASN A 53 6.158 -0.136 3.990 1.00 1.42 N ATOM 0 H ASN A 53 6.090 0.189 0.800 1.00 0.25 H new ATOM 0 HA ASN A 53 4.706 2.311 2.188 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.452 1.102 2.177 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.247 2.712 2.837 1.00 0.34 H new ATOM 0 HD21 ASN A 53 5.828 -0.591 4.841 1.00 1.42 H new ATOM 0 HD22 ASN A 53 6.440 -0.699 3.188 1.00 1.42 H new ATOM 746 N GLN A 54 6.548 2.939 -0.437 1.00 0.23 N ATOM 747 CA GLN A 54 6.721 3.964 -1.466 1.00 0.25 C ATOM 748 C GLN A 54 5.348 4.486 -1.850 1.00 0.25 C ATOM 749 O GLN A 54 5.103 5.692 -1.916 1.00 0.28 O ATOM 750 CB GLN A 54 7.365 3.400 -2.739 1.00 0.27 C ATOM 751 CG GLN A 54 8.634 2.600 -2.533 1.00 0.40 C ATOM 752 CD GLN A 54 9.180 2.060 -3.838 1.00 0.62 C ATOM 753 OE1 GLN A 54 10.379 1.899 -3.995 1.00 1.27 O ATOM 754 NE2 GLN A 54 8.301 1.775 -4.786 1.00 1.34 N ATOM 0 H GLN A 54 6.920 2.021 -0.682 1.00 0.23 H new ATOM 0 HA GLN A 54 7.368 4.741 -1.059 1.00 0.25 H new ATOM 0 HB2 GLN A 54 6.635 2.766 -3.243 1.00 0.27 H new ATOM 0 HB3 GLN A 54 7.585 4.229 -3.411 1.00 0.27 H new ATOM 0 HG2 GLN A 54 9.386 3.229 -2.057 1.00 0.40 H new ATOM 0 HG3 GLN A 54 8.435 1.772 -1.853 1.00 0.40 H new ATOM 0 HE21 GLN A 54 7.306 1.922 -4.619 1.00 1.34 H new ATOM 0 HE22 GLN A 54 8.619 1.408 -5.683 1.00 1.34 H new ATOM 763 N ALA A 55 4.461 3.534 -2.100 1.00 0.24 N ATOM 764 CA ALA A 55 3.090 3.808 -2.481 1.00 0.25 C ATOM 765 C ALA A 55 2.384 4.650 -1.423 1.00 0.26 C ATOM 766 O ALA A 55 1.612 5.554 -1.747 1.00 0.30 O ATOM 767 CB ALA A 55 2.365 2.491 -2.695 1.00 0.24 C ATOM 0 H ALA A 55 4.679 2.539 -2.042 1.00 0.24 H new ATOM 0 HA ALA A 55 3.083 4.381 -3.408 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.332 2.687 -2.982 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.861 1.927 -3.485 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.381 1.912 -1.771 1.00 0.24 H new ATOM 773 N ALA A 56 2.676 4.356 -0.159 1.00 0.26 N ATOM 774 CA ALA A 56 2.102 5.095 0.960 1.00 0.27 C ATOM 775 C ALA A 56 2.425 6.578 0.867 1.00 0.26 C ATOM 776 O ALA A 56 1.615 7.422 1.256 1.00 0.30 O ATOM 777 CB ALA A 56 2.601 4.536 2.283 1.00 0.29 C ATOM 0 H ALA A 56 3.311 3.606 0.116 1.00 0.26 H new ATOM 0 HA ALA A 56 1.019 4.978 0.912 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.162 5.101 3.105 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.313 3.488 2.367 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.687 4.618 2.326 1.00 0.29 H new ATOM 783 N VAL A 57 3.605 6.899 0.349 1.00 0.26 N ATOM 784 CA VAL A 57 3.984 8.290 0.182 1.00 0.27 C ATOM 785 C VAL A 57 3.126 8.942 -0.881 1.00 0.26 C ATOM 786 O VAL A 57 2.608 10.029 -0.675 1.00 0.30 O ATOM 787 CB VAL A 57 5.459 8.481 -0.198 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.794 9.959 -0.201 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.372 7.728 0.746 1.00 0.30 C ATOM 0 H VAL A 57 4.305 6.223 0.042 1.00 0.26 H new ATOM 0 HA VAL A 57 3.829 8.759 1.154 1.00 0.27 H new ATOM 0 HB VAL A 57 5.616 8.075 -1.197 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.841 10.094 -0.471 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.163 10.474 -0.926 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.619 10.374 0.792 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.409 7.883 0.450 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.226 8.094 1.762 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.139 6.664 0.706 1.00 0.30 H new ATOM 799 N TYR A 58 2.972 8.266 -2.015 1.00 0.25 N ATOM 800 CA TYR A 58 2.141 8.774 -3.103 1.00 0.27 C ATOM 801 C TYR A 58 0.738 9.067 -2.611 1.00 0.28 C ATOM 802 O TYR A 58 0.124 10.049 -3.014 1.00 0.29 O ATOM 803 CB TYR A 58 2.077 7.773 -4.245 1.00 0.27 C ATOM 804 CG TYR A 58 3.318 7.737 -5.092 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.509 8.664 -6.104 1.00 0.35 C ATOM 806 CD2 TYR A 58 4.293 6.779 -4.886 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.641 8.639 -6.888 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.430 6.744 -5.664 1.00 0.30 C ATOM 809 CZ TYR A 58 5.602 7.677 -6.664 1.00 0.33 C ATOM 810 OH TYR A 58 6.735 7.647 -7.442 1.00 0.37 O ATOM 0 H TYR A 58 3.411 7.365 -2.205 1.00 0.25 H new ATOM 0 HA TYR A 58 2.594 9.697 -3.465 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.900 6.779 -3.835 1.00 0.27 H new ATOM 0 HB3 TYR A 58 1.223 8.013 -4.879 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.757 9.419 -6.281 1.00 0.35 H new ATOM 0 HD2 TYR A 58 4.162 6.047 -4.103 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.775 9.368 -7.673 1.00 0.38 H new ATOM 0 HE2 TYR A 58 6.183 5.989 -5.491 1.00 0.30 H new ATOM 0 HH TYR A 58 7.311 6.908 -7.153 1.00 0.37 H new ATOM 820 N PHE A 59 0.248 8.208 -1.736 1.00 0.30 N ATOM 821 CA PHE A 59 -1.044 8.398 -1.101 1.00 0.32 C ATOM 822 C PHE A 59 -1.109 9.779 -0.443 1.00 0.35 C ATOM 823 O PHE A 59 -2.071 10.525 -0.624 1.00 0.42 O ATOM 824 CB PHE A 59 -1.248 7.296 -0.072 1.00 0.33 C ATOM 825 CG PHE A 59 -2.642 7.212 0.471 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.040 8.012 1.530 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.551 6.326 -0.077 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.322 7.929 2.029 1.00 0.56 C ATOM 829 CE2 PHE A 59 -4.833 6.241 0.419 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.218 7.043 1.473 1.00 0.47 C ATOM 0 H PHE A 59 0.734 7.359 -1.445 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.838 8.346 -1.846 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -0.988 6.339 -0.525 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.557 7.455 0.756 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.339 8.707 1.968 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.253 5.695 -0.901 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.623 8.557 2.854 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.536 5.547 -0.017 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.223 6.976 1.863 1.00 0.47 H new ATOM 840 N GLU A 60 -0.057 10.118 0.289 1.00 0.34 N ATOM 841 CA GLU A 60 0.056 11.419 0.935 1.00 0.37 C ATOM 842 C GLU A 60 0.396 12.511 -0.078 1.00 0.35 C ATOM 843 O GLU A 60 0.050 13.679 0.106 1.00 0.41 O ATOM 844 CB GLU A 60 1.123 11.356 2.024 1.00 0.39 C ATOM 845 CG GLU A 60 0.707 10.533 3.230 1.00 0.44 C ATOM 846 CD GLU A 60 -0.474 11.138 3.959 1.00 0.91 C ATOM 847 OE1 GLU A 60 -1.627 10.879 3.556 1.00 1.07 O ATOM 848 OE2 GLU A 60 -0.257 11.876 4.941 1.00 1.42 O ATOM 0 H GLU A 60 0.740 9.502 0.452 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.906 11.669 1.383 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.036 10.935 1.604 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.360 12.369 2.349 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.454 9.523 2.908 1.00 0.44 H new ATOM 0 HG3 GLU A 60 1.549 10.447 3.916 1.00 0.44 H new ATOM 855 N LYS A 61 1.065 12.116 -1.154 1.00 0.32 N ATOM 856 CA LYS A 61 1.466 13.039 -2.207 1.00 0.33 C ATOM 857 C LYS A 61 0.265 13.487 -3.041 1.00 0.35 C ATOM 858 O LYS A 61 0.346 14.463 -3.788 1.00 0.40 O ATOM 859 CB LYS A 61 2.515 12.391 -3.118 1.00 0.33 C ATOM 860 CG LYS A 61 3.845 12.140 -2.425 1.00 0.48 C ATOM 861 CD LYS A 61 5.013 12.183 -3.399 1.00 0.49 C ATOM 862 CE LYS A 61 4.933 11.091 -4.452 1.00 0.36 C ATOM 863 NZ LYS A 61 6.064 11.183 -5.413 1.00 1.10 N ATOM 0 H LYS A 61 1.344 11.149 -1.321 1.00 0.32 H new ATOM 0 HA LYS A 61 1.899 13.917 -1.728 1.00 0.33 H new ATOM 0 HB2 LYS A 61 2.125 11.445 -3.493 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.680 13.033 -3.983 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.995 12.888 -1.646 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.819 11.168 -1.933 1.00 0.48 H new ATOM 0 HD2 LYS A 61 5.037 13.156 -3.890 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.947 12.082 -2.846 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.943 10.115 -3.968 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.988 11.170 -4.990 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 6.218 10.256 -5.858 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.840 11.886 -6.146 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.926 11.472 -4.908 1.00 1.10 H new ATOM 877 N GLY A 62 -0.847 12.764 -2.913 1.00 0.34 N ATOM 878 CA GLY A 62 -2.034 13.069 -3.692 1.00 0.36 C ATOM 879 C GLY A 62 -2.151 12.167 -4.905 1.00 0.33 C ATOM 880 O GLY A 62 -3.048 12.328 -5.737 1.00 0.35 O ATOM 0 H GLY A 62 -0.945 11.970 -2.281 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -2.920 12.956 -3.067 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.002 14.110 -4.013 1.00 0.36 H new ATOM 884 N ASP A 63 -1.239 11.211 -4.991 1.00 0.31 N ATOM 885 CA ASP A 63 -1.179 10.283 -6.105 1.00 0.30 C ATOM 886 C ASP A 63 -1.756 8.932 -5.710 1.00 0.27 C ATOM 887 O ASP A 63 -1.022 7.965 -5.487 1.00 0.32 O ATOM 888 CB ASP A 63 0.264 10.117 -6.572 1.00 0.32 C ATOM 889 CG ASP A 63 0.745 11.276 -7.417 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.497 11.272 -8.643 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.367 12.204 -6.859 1.00 1.26 O ATOM 0 H ASP A 63 -0.518 11.058 -4.286 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.775 10.688 -6.923 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.913 10.014 -5.702 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.351 9.194 -7.146 1.00 0.32 H new ATOM 896 N TYR A 64 -3.076 8.867 -5.632 1.00 0.27 N ATOM 897 CA TYR A 64 -3.763 7.654 -5.211 1.00 0.28 C ATOM 898 C TYR A 64 -3.680 6.593 -6.299 1.00 0.29 C ATOM 899 O TYR A 64 -3.736 5.395 -6.022 1.00 0.34 O ATOM 900 CB TYR A 64 -5.222 7.962 -4.856 1.00 0.29 C ATOM 901 CG TYR A 64 -5.351 9.016 -3.778 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.113 8.705 -2.443 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.688 10.325 -4.096 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.209 9.670 -1.459 1.00 0.36 C ATOM 905 CE2 TYR A 64 -5.785 11.295 -3.116 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.544 10.963 -1.801 1.00 0.38 C ATOM 907 OH TYR A 64 -5.643 11.928 -0.821 1.00 0.43 O ATOM 0 H TYR A 64 -3.697 9.645 -5.856 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.272 7.265 -4.319 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.746 8.297 -5.751 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.712 7.047 -4.524 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.849 7.693 -2.172 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -5.877 10.590 -5.126 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -5.023 9.413 -0.427 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.049 12.309 -3.380 1.00 0.39 H new ATOM 0 HH TYR A 64 -5.886 12.785 -1.229 1.00 0.43 H new ATOM 917 N ASN A 65 -3.519 7.040 -7.538 1.00 0.31 N ATOM 918 CA ASN A 65 -3.364 6.125 -8.660 1.00 0.37 C ATOM 919 C ASN A 65 -2.031 5.398 -8.578 1.00 0.33 C ATOM 920 O ASN A 65 -1.970 4.180 -8.725 1.00 0.34 O ATOM 921 CB ASN A 65 -3.469 6.865 -9.990 1.00 0.47 C ATOM 922 CG ASN A 65 -4.866 7.381 -10.263 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.212 8.501 -9.886 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.675 6.571 -10.924 1.00 2.18 N ATOM 0 H ASN A 65 -3.492 8.028 -7.790 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.171 5.394 -8.606 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.770 7.702 -9.992 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -3.169 6.197 -10.797 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -6.627 6.866 -11.140 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -5.347 5.651 -11.218 1.00 2.18 H new ATOM 931 N LYS A 66 -0.961 6.147 -8.325 1.00 0.34 N ATOM 932 CA LYS A 66 0.366 5.556 -8.196 1.00 0.32 C ATOM 933 C LYS A 66 0.446 4.682 -6.954 1.00 0.31 C ATOM 934 O LYS A 66 1.124 3.656 -6.950 1.00 0.32 O ATOM 935 CB LYS A 66 1.434 6.625 -8.099 1.00 0.29 C ATOM 936 CG LYS A 66 2.839 6.059 -8.126 1.00 0.40 C ATOM 937 CD LYS A 66 3.234 5.554 -9.496 1.00 0.63 C ATOM 938 CE LYS A 66 4.695 5.144 -9.513 1.00 0.42 C ATOM 939 NZ LYS A 66 5.147 4.752 -10.872 1.00 0.68 N ATOM 0 H LYS A 66 -0.987 7.160 -8.206 1.00 0.34 H new ATOM 0 HA LYS A 66 0.537 4.952 -9.087 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.315 7.327 -8.924 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.293 7.190 -7.178 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.543 6.828 -7.809 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.913 5.243 -7.407 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.609 4.704 -9.770 1.00 0.63 H new ATOM 0 HD3 LYS A 66 3.060 6.331 -10.240 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.308 5.970 -9.151 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.846 4.311 -8.826 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.988 4.145 -10.796 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 4.386 4.232 -11.354 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 5.384 5.605 -11.419 1.00 0.68 H new ATOM 953 N CYS A 67 -0.221 5.108 -5.891 1.00 0.31 N ATOM 954 CA CYS A 67 -0.284 4.320 -4.670 1.00 0.32 C ATOM 955 C CYS A 67 -0.895 2.956 -4.976 1.00 0.36 C ATOM 956 O CYS A 67 -0.381 1.916 -4.560 1.00 0.39 O ATOM 957 CB CYS A 67 -1.103 5.053 -3.605 1.00 0.33 C ATOM 958 SG CYS A 67 -1.347 4.117 -2.080 1.00 1.29 S ATOM 0 H CYS A 67 -0.725 5.994 -5.850 1.00 0.31 H new ATOM 0 HA CYS A 67 0.724 4.177 -4.281 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -0.606 5.993 -3.365 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -2.078 5.305 -4.023 1.00 0.33 H new ATOM 0 HG CYS A 67 -2.609 3.841 -1.937 1.00 1.29 H new ATOM 964 N ARG A 68 -1.983 2.982 -5.733 1.00 0.38 N ATOM 965 CA ARG A 68 -2.630 1.772 -6.220 1.00 0.45 C ATOM 966 C ARG A 68 -1.679 0.993 -7.128 1.00 0.42 C ATOM 967 O ARG A 68 -1.597 -0.235 -7.055 1.00 0.48 O ATOM 968 CB ARG A 68 -3.914 2.167 -6.964 1.00 0.60 C ATOM 969 CG ARG A 68 -4.657 1.021 -7.633 1.00 1.00 C ATOM 970 CD ARG A 68 -4.214 0.810 -9.073 1.00 1.21 C ATOM 971 NE ARG A 68 -5.155 -0.034 -9.801 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.830 -0.838 -10.807 1.00 2.48 C ATOM 973 NH1 ARG A 68 -3.576 -0.905 -11.231 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.769 -1.572 -11.398 1.00 3.39 N ATOM 0 H ARG A 68 -2.442 3.844 -6.027 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.889 1.122 -5.384 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.588 2.652 -6.258 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.661 2.907 -7.724 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.493 0.104 -7.066 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.728 1.222 -7.610 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.126 1.774 -9.573 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -3.225 0.352 -9.088 1.00 1.21 H new ATOM 0 HE ARG A 68 -6.134 -0.005 -9.517 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -2.856 -0.338 -10.784 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -3.331 -1.524 -12.004 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -6.736 -1.517 -11.078 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.522 -2.190 -12.171 1.00 3.39 H new ATOM 988 N GLU A 69 -0.962 1.729 -7.972 1.00 0.38 N ATOM 989 CA GLU A 69 -0.009 1.151 -8.912 1.00 0.37 C ATOM 990 C GLU A 69 1.062 0.338 -8.189 1.00 0.31 C ATOM 991 O GLU A 69 1.248 -0.853 -8.455 1.00 0.34 O ATOM 992 CB GLU A 69 0.660 2.267 -9.731 1.00 0.38 C ATOM 993 CG GLU A 69 1.588 1.740 -10.818 1.00 0.67 C ATOM 994 CD GLU A 69 2.259 2.840 -11.609 1.00 1.20 C ATOM 995 OE1 GLU A 69 1.542 3.675 -12.197 1.00 1.19 O ATOM 996 OE2 GLU A 69 3.506 2.875 -11.654 1.00 2.08 O ATOM 0 H GLU A 69 -1.026 2.746 -8.023 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.557 0.482 -9.576 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -0.112 2.885 -10.190 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.227 2.912 -9.059 1.00 0.38 H new ATOM 0 HG2 GLU A 69 2.352 1.111 -10.362 1.00 0.67 H new ATOM 0 HG3 GLU A 69 1.018 1.107 -11.498 1.00 0.67 H new ATOM 1003 N LEU A 70 1.750 0.989 -7.263 1.00 0.24 N ATOM 1004 CA LEU A 70 2.888 0.389 -6.589 1.00 0.21 C ATOM 1005 C LEU A 70 2.476 -0.728 -5.641 1.00 0.22 C ATOM 1006 O LEU A 70 3.168 -1.734 -5.545 1.00 0.23 O ATOM 1007 CB LEU A 70 3.676 1.454 -5.833 1.00 0.20 C ATOM 1008 CG LEU A 70 4.457 2.438 -6.701 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.154 3.455 -5.824 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.470 1.706 -7.570 1.00 0.24 C ATOM 0 H LEU A 70 1.537 1.940 -6.961 1.00 0.24 H new ATOM 0 HA LEU A 70 3.520 -0.055 -7.358 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.983 2.018 -5.209 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.375 0.955 -5.162 1.00 0.20 H new ATOM 0 HG LEU A 70 3.757 2.954 -7.358 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.710 4.154 -6.449 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.413 4.000 -5.240 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.842 2.944 -5.151 1.00 0.22 H new ATOM 0 HD21 LEU A 70 6.015 2.427 -8.180 1.00 0.24 H new ATOM 0 HD22 LEU A 70 6.171 1.165 -6.934 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.951 1.001 -8.219 1.00 0.24 H new ATOM 1022 N CYS A 71 1.361 -0.566 -4.940 1.00 0.24 N ATOM 1023 CA CYS A 71 0.912 -1.599 -4.013 1.00 0.25 C ATOM 1024 C CYS A 71 0.622 -2.902 -4.751 1.00 0.24 C ATOM 1025 O CYS A 71 1.059 -3.966 -4.325 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.314 -1.144 -3.229 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.016 0.251 -2.120 1.00 1.10 S ATOM 0 H CYS A 71 0.759 0.256 -4.993 1.00 0.24 H new ATOM 0 HA CYS A 71 1.719 -1.778 -3.302 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.100 -0.871 -3.933 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.688 -1.984 -2.644 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.281 1.362 -2.740 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.096 -2.808 -5.866 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.382 -3.967 -6.703 1.00 0.26 C ATOM 1035 C GLU A 72 0.915 -4.602 -7.209 1.00 0.23 C ATOM 1036 O GLU A 72 1.029 -5.825 -7.287 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.254 -3.535 -7.875 1.00 0.34 C ATOM 1038 CG GLU A 72 -2.527 -4.346 -8.035 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.259 -5.773 -8.470 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -1.531 -5.966 -9.471 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.780 -6.709 -7.831 1.00 1.68 O ATOM 0 H GLU A 72 -0.493 -1.934 -6.212 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.912 -4.713 -6.111 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.519 -2.485 -7.749 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -0.672 -3.609 -8.793 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -3.069 -4.354 -7.089 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -3.172 -3.862 -8.768 1.00 0.87 H new ATOM 1048 N LYS A 73 1.893 -3.760 -7.541 1.00 0.23 N ATOM 1049 CA LYS A 73 3.206 -4.235 -7.965 1.00 0.23 C ATOM 1050 C LYS A 73 3.896 -4.967 -6.823 1.00 0.20 C ATOM 1051 O LYS A 73 4.425 -6.058 -7.007 1.00 0.21 O ATOM 1052 CB LYS A 73 4.090 -3.071 -8.431 1.00 0.27 C ATOM 1053 CG LYS A 73 5.533 -3.475 -8.735 1.00 0.33 C ATOM 1054 CD LYS A 73 5.750 -3.831 -10.202 1.00 0.57 C ATOM 1055 CE LYS A 73 5.005 -5.092 -10.612 1.00 0.60 C ATOM 1056 NZ LYS A 73 5.348 -5.510 -11.995 1.00 1.23 N ATOM 0 H LYS A 73 1.799 -2.744 -7.524 1.00 0.23 H new ATOM 0 HA LYS A 73 3.059 -4.919 -8.801 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.650 -2.629 -9.325 1.00 0.27 H new ATOM 0 HB3 LYS A 73 4.093 -2.299 -7.662 1.00 0.27 H new ATOM 0 HG2 LYS A 73 6.200 -2.657 -8.462 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.805 -4.329 -8.114 1.00 0.33 H new ATOM 0 HD2 LYS A 73 5.422 -3.000 -10.826 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.816 -3.967 -10.386 1.00 0.57 H new ATOM 0 HE2 LYS A 73 5.245 -5.898 -9.919 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.931 -4.919 -10.540 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.820 -6.373 -12.238 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 5.095 -4.751 -12.660 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 6.369 -5.699 -12.057 1.00 1.23 H new ATOM 1070 N ALA A 74 3.885 -4.351 -5.649 1.00 0.19 N ATOM 1071 CA ALA A 74 4.465 -4.952 -4.459 1.00 0.17 C ATOM 1072 C ALA A 74 3.791 -6.271 -4.155 1.00 0.16 C ATOM 1073 O ALA A 74 4.444 -7.239 -3.798 1.00 0.16 O ATOM 1074 CB ALA A 74 4.341 -4.011 -3.275 1.00 0.18 C ATOM 0 H ALA A 74 3.477 -3.429 -5.496 1.00 0.19 H new ATOM 0 HA ALA A 74 5.523 -5.136 -4.645 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.780 -4.477 -2.393 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.865 -3.081 -3.493 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.288 -3.799 -3.087 1.00 0.18 H new ATOM 1080 N ILE A 75 2.480 -6.300 -4.301 1.00 0.16 N ATOM 1081 CA ILE A 75 1.718 -7.516 -4.103 1.00 0.16 C ATOM 1082 C ILE A 75 2.116 -8.567 -5.123 1.00 0.17 C ATOM 1083 O ILE A 75 2.265 -9.738 -4.787 1.00 0.18 O ATOM 1084 CB ILE A 75 0.210 -7.242 -4.192 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.220 -6.393 -3.003 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.587 -8.535 -4.246 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.709 -6.197 -2.910 1.00 0.23 C ATOM 0 H ILE A 75 1.918 -5.488 -4.558 1.00 0.16 H new ATOM 0 HA ILE A 75 1.942 -7.891 -3.104 1.00 0.16 H new ATOM 0 HB ILE A 75 0.008 -6.700 -5.116 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.134 -6.862 -2.085 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.263 -5.418 -3.070 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.651 -8.305 -4.309 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.288 -9.110 -5.122 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.395 -9.119 -3.346 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.942 -5.583 -2.040 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -2.068 -5.700 -3.811 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.198 -7.166 -2.811 1.00 0.23 H new ATOM 1099 N GLU A 76 2.309 -8.135 -6.360 1.00 0.18 N ATOM 1100 CA GLU A 76 2.755 -9.031 -7.414 1.00 0.21 C ATOM 1101 C GLU A 76 4.122 -9.608 -7.045 1.00 0.20 C ATOM 1102 O GLU A 76 4.332 -10.816 -7.085 1.00 0.24 O ATOM 1103 CB GLU A 76 2.836 -8.274 -8.741 1.00 0.24 C ATOM 1104 CG GLU A 76 2.928 -9.175 -9.959 1.00 0.77 C ATOM 1105 CD GLU A 76 1.672 -9.997 -10.167 1.00 1.47 C ATOM 1106 OE1 GLU A 76 0.703 -9.471 -10.751 1.00 1.62 O ATOM 1107 OE2 GLU A 76 1.651 -11.175 -9.757 1.00 2.35 O ATOM 0 H GLU A 76 2.164 -7.170 -6.658 1.00 0.18 H new ATOM 0 HA GLU A 76 2.042 -9.848 -7.524 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.957 -7.637 -8.838 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.706 -7.617 -8.721 1.00 0.24 H new ATOM 0 HG2 GLU A 76 3.111 -8.566 -10.845 1.00 0.77 H new ATOM 0 HG3 GLU A 76 3.782 -9.843 -9.849 1.00 0.77 H new ATOM 1114 N VAL A 77 5.026 -8.716 -6.653 1.00 0.21 N ATOM 1115 CA VAL A 77 6.366 -9.081 -6.200 1.00 0.22 C ATOM 1116 C VAL A 77 6.306 -10.012 -4.991 1.00 0.21 C ATOM 1117 O VAL A 77 6.995 -11.029 -4.938 1.00 0.24 O ATOM 1118 CB VAL A 77 7.164 -7.806 -5.824 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.456 -8.146 -5.103 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.458 -6.967 -7.059 1.00 0.25 C ATOM 0 H VAL A 77 4.849 -7.712 -6.640 1.00 0.21 H new ATOM 0 HA VAL A 77 6.864 -9.603 -7.017 1.00 0.22 H new ATOM 0 HB VAL A 77 6.542 -7.225 -5.144 1.00 0.22 H new ATOM 0 HG11 VAL A 77 8.987 -7.227 -4.856 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.229 -8.691 -4.187 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.081 -8.764 -5.748 1.00 0.22 H new ATOM 0 HG21 VAL A 77 8.019 -6.078 -6.770 1.00 0.25 H new ATOM 0 HG22 VAL A 77 8.046 -7.553 -7.765 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.520 -6.668 -7.528 1.00 0.25 H new ATOM 1130 N GLY A 78 5.469 -9.662 -4.031 1.00 0.19 N ATOM 1131 CA GLY A 78 5.372 -10.425 -2.809 1.00 0.21 C ATOM 1132 C GLY A 78 4.762 -11.789 -3.025 1.00 0.21 C ATOM 1133 O GLY A 78 5.281 -12.787 -2.545 1.00 0.27 O ATOM 0 H GLY A 78 4.849 -8.854 -4.078 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.366 -10.540 -2.376 1.00 0.21 H new ATOM 0 HA3 GLY A 78 4.772 -9.872 -2.086 1.00 0.21 H new ATOM 1137 N ARG A 79 3.670 -11.835 -3.766 1.00 0.21 N ATOM 1138 CA ARG A 79 2.991 -13.088 -4.053 1.00 0.28 C ATOM 1139 C ARG A 79 3.885 -13.963 -4.931 1.00 0.28 C ATOM 1140 O ARG A 79 3.800 -15.192 -4.917 1.00 0.33 O ATOM 1141 CB ARG A 79 1.652 -12.791 -4.732 1.00 0.39 C ATOM 1142 CG ARG A 79 0.651 -13.927 -4.670 1.00 0.81 C ATOM 1143 CD ARG A 79 -0.764 -13.407 -4.873 1.00 0.89 C ATOM 1144 NE ARG A 79 -1.752 -14.484 -4.903 1.00 1.57 N ATOM 1145 CZ ARG A 79 -3.060 -14.300 -4.721 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -3.538 -13.082 -4.489 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -3.890 -15.334 -4.771 1.00 2.63 N ATOM 0 H ARG A 79 3.231 -11.014 -4.183 1.00 0.21 H new ATOM 0 HA ARG A 79 2.792 -13.632 -3.130 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.211 -11.909 -4.267 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.836 -12.542 -5.777 1.00 0.39 H new ATOM 0 HG2 ARG A 79 0.885 -14.667 -5.435 1.00 0.81 H new ATOM 0 HG3 ARG A 79 0.724 -14.431 -3.706 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -1.012 -12.712 -4.071 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.812 -12.847 -5.807 1.00 0.89 H new ATOM 0 HE ARG A 79 -1.421 -15.434 -5.073 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -2.904 -12.284 -4.450 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -4.539 -12.945 -4.350 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -3.528 -16.271 -4.949 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -4.890 -15.192 -4.632 1.00 2.63 H new ATOM 1161 N GLU A 80 4.761 -13.302 -5.675 1.00 0.27 N ATOM 1162 CA GLU A 80 5.775 -13.969 -6.477 1.00 0.32 C ATOM 1163 C GLU A 80 6.862 -14.569 -5.588 1.00 0.31 C ATOM 1164 O GLU A 80 7.163 -15.758 -5.668 1.00 0.37 O ATOM 1165 CB GLU A 80 6.400 -12.958 -7.441 1.00 0.36 C ATOM 1166 CG GLU A 80 7.546 -13.510 -8.267 1.00 0.57 C ATOM 1167 CD GLU A 80 8.050 -12.512 -9.284 1.00 1.18 C ATOM 1168 OE1 GLU A 80 7.360 -12.294 -10.304 1.00 1.22 O ATOM 1169 OE2 GLU A 80 9.138 -11.939 -9.070 1.00 1.96 O ATOM 0 H GLU A 80 4.788 -12.284 -5.739 1.00 0.27 H new ATOM 0 HA GLU A 80 5.304 -14.777 -7.037 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.626 -12.590 -8.115 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.759 -12.102 -6.869 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.364 -13.796 -7.605 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.219 -14.415 -8.780 1.00 0.57 H new ATOM 1176 N ASN A 81 7.428 -13.735 -4.726 1.00 0.29 N ATOM 1177 CA ASN A 81 8.579 -14.118 -3.909 1.00 0.35 C ATOM 1178 C ASN A 81 8.151 -14.808 -2.608 1.00 0.35 C ATOM 1179 O ASN A 81 8.972 -15.048 -1.719 1.00 0.49 O ATOM 1180 CB ASN A 81 9.411 -12.876 -3.600 1.00 0.40 C ATOM 1181 CG ASN A 81 10.794 -13.198 -3.066 1.00 0.55 C ATOM 1182 OD1 ASN A 81 11.393 -14.216 -3.418 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.313 -12.330 -2.212 1.00 1.13 N ATOM 0 H ASN A 81 7.107 -12.779 -4.571 1.00 0.29 H new ATOM 0 HA ASN A 81 9.176 -14.835 -4.473 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.509 -12.278 -4.506 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.881 -12.264 -2.870 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.241 -12.492 -1.820 1.00 1.13 H new ATOM 0 HD22 ASN A 81 10.785 -11.499 -1.946 1.00 1.13 H new ATOM 1190 N ARG A 82 6.860 -15.125 -2.514 1.00 0.32 N ATOM 1191 CA ARG A 82 6.289 -15.786 -1.335 1.00 0.37 C ATOM 1192 C ARG A 82 6.480 -14.926 -0.088 1.00 0.32 C ATOM 1193 O ARG A 82 6.778 -15.426 0.997 1.00 0.38 O ATOM 1194 CB ARG A 82 6.905 -17.178 -1.135 1.00 0.47 C ATOM 1195 CG ARG A 82 6.649 -18.133 -2.293 1.00 1.04 C ATOM 1196 CD ARG A 82 5.161 -18.347 -2.521 1.00 1.99 C ATOM 1197 NE ARG A 82 4.896 -19.224 -3.659 1.00 2.83 N ATOM 1198 CZ ARG A 82 3.702 -19.359 -4.235 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.651 -18.693 -3.766 1.00 4.01 N ATOM 1200 NH2 ARG A 82 3.557 -20.167 -5.277 1.00 4.67 N ATOM 0 H ARG A 82 6.180 -14.933 -3.249 1.00 0.32 H new ATOM 0 HA ARG A 82 5.219 -15.911 -1.503 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.981 -17.073 -0.994 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.505 -17.615 -0.220 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.104 -17.736 -3.201 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.128 -19.091 -2.089 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.716 -18.776 -1.623 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.679 -17.384 -2.687 1.00 1.99 H new ATOM 0 HE ARG A 82 5.673 -19.767 -4.036 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.756 -18.075 -2.961 1.00 4.01 H new ATOM 0 HH12 ARG A 82 1.739 -18.800 -4.211 1.00 4.01 H new ATOM 0 HH21 ARG A 82 4.359 -20.684 -5.637 1.00 4.67 H new ATOM 0 HH22 ARG A 82 2.643 -20.271 -5.719 1.00 4.67 H new ATOM 1214 N GLU A 83 6.289 -13.629 -0.267 1.00 0.27 N ATOM 1215 CA GLU A 83 6.467 -12.643 0.787 1.00 0.27 C ATOM 1216 C GLU A 83 5.225 -12.587 1.678 1.00 0.25 C ATOM 1217 O GLU A 83 4.193 -13.166 1.337 1.00 0.25 O ATOM 1218 CB GLU A 83 6.741 -11.273 0.157 1.00 0.28 C ATOM 1219 CG GLU A 83 7.297 -10.241 1.125 1.00 0.43 C ATOM 1220 CD GLU A 83 8.544 -10.727 1.828 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.640 -10.631 1.241 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.426 -11.216 2.969 1.00 1.60 O ATOM 0 H GLU A 83 6.002 -13.226 -1.159 1.00 0.27 H new ATOM 0 HA GLU A 83 7.316 -12.927 1.409 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.444 -11.398 -0.666 1.00 0.28 H new ATOM 0 HB3 GLU A 83 5.814 -10.891 -0.271 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.523 -9.322 0.583 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.537 -9.995 1.867 1.00 0.43 H new ATOM 1229 N ASP A 84 5.345 -11.911 2.821 1.00 0.26 N ATOM 1230 CA ASP A 84 4.249 -11.764 3.771 1.00 0.26 C ATOM 1231 C ASP A 84 2.942 -11.368 3.087 1.00 0.25 C ATOM 1232 O ASP A 84 2.811 -10.260 2.566 1.00 0.26 O ATOM 1233 CB ASP A 84 4.602 -10.707 4.818 1.00 0.29 C ATOM 1234 CG ASP A 84 5.085 -11.304 6.124 1.00 0.44 C ATOM 1235 OD1 ASP A 84 4.235 -11.731 6.937 1.00 0.68 O ATOM 1236 OD2 ASP A 84 6.311 -11.334 6.355 1.00 0.82 O ATOM 0 H ASP A 84 6.207 -11.450 3.112 1.00 0.26 H new ATOM 0 HA ASP A 84 4.104 -12.735 4.245 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.375 -10.051 4.417 1.00 0.29 H new ATOM 0 HB3 ASP A 84 3.726 -10.088 5.010 1.00 0.29 H new ATOM 1241 N TYR A 85 1.974 -12.276 3.107 1.00 0.26 N ATOM 1242 CA TYR A 85 0.653 -11.996 2.558 1.00 0.26 C ATOM 1243 C TYR A 85 -0.088 -11.027 3.467 1.00 0.27 C ATOM 1244 O TYR A 85 -1.014 -10.339 3.043 1.00 0.26 O ATOM 1245 CB TYR A 85 -0.159 -13.284 2.395 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.388 -14.027 3.693 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.361 -13.610 4.592 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.375 -15.135 4.024 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.564 -14.274 5.782 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.177 -15.809 5.213 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.793 -15.373 6.090 1.00 0.38 C ATOM 1252 OH TYR A 85 -0.989 -16.031 7.283 1.00 0.44 O ATOM 0 H TYR A 85 2.079 -13.212 3.497 1.00 0.26 H new ATOM 0 HA TYR A 85 0.779 -11.546 1.573 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -1.124 -13.041 1.951 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.357 -13.942 1.696 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.969 -12.750 4.354 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.138 -15.478 3.340 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.324 -13.934 6.470 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.779 -16.673 5.454 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.366 -16.785 7.347 1.00 0.44 H new ATOM 1262 N ARG A 86 0.322 -10.989 4.731 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.248 -10.055 5.682 1.00 0.33 C ATOM 1264 C ARG A 86 0.112 -8.633 5.278 1.00 0.32 C ATOM 1265 O ARG A 86 -0.689 -7.714 5.432 1.00 0.32 O ATOM 1266 CB ARG A 86 0.220 -10.368 7.097 1.00 0.40 C ATOM 1267 CG ARG A 86 -0.261 -11.719 7.588 1.00 0.44 C ATOM 1268 CD ARG A 86 -0.012 -11.893 9.069 1.00 0.55 C ATOM 1269 NE ARG A 86 -0.592 -13.135 9.571 1.00 1.57 N ATOM 1270 CZ ARG A 86 -0.985 -13.321 10.831 1.00 1.98 C ATOM 1271 NH1 ARG A 86 -0.801 -12.371 11.739 1.00 1.57 N ATOM 1272 NH2 ARG A 86 -1.546 -14.466 11.184 1.00 3.04 N ATOM 0 H ARG A 86 1.046 -11.596 5.115 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.334 -10.153 5.673 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.309 -10.341 7.129 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.138 -9.592 7.773 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.326 -11.823 7.383 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.249 -12.510 7.037 1.00 0.44 H new ATOM 0 HD2 ARG A 86 1.061 -11.889 9.261 1.00 0.55 H new ATOM 0 HD3 ARG A 86 -0.436 -11.048 9.611 1.00 0.55 H new ATOM 0 HE ARG A 86 -0.704 -13.909 8.916 1.00 1.57 H new ATOM 0 HH11 ARG A 86 -0.356 -11.492 11.474 1.00 1.57 H new ATOM 0 HH12 ARG A 86 -1.104 -12.520 12.701 1.00 1.57 H new ATOM 0 HH21 ARG A 86 -1.677 -15.204 10.492 1.00 3.04 H new ATOM 0 HH22 ARG A 86 -1.847 -14.610 12.148 1.00 3.04 H new ATOM 1286 N GLN A 87 1.316 -8.480 4.730 1.00 0.33 N ATOM 1287 CA GLN A 87 1.742 -7.222 4.126 1.00 0.33 C ATOM 1288 C GLN A 87 0.908 -6.942 2.887 1.00 0.28 C ATOM 1289 O GLN A 87 0.468 -5.821 2.654 1.00 0.28 O ATOM 1290 CB GLN A 87 3.218 -7.292 3.733 1.00 0.39 C ATOM 1291 CG GLN A 87 4.133 -6.462 4.611 1.00 0.49 C ATOM 1292 CD GLN A 87 3.785 -4.987 4.574 1.00 0.57 C ATOM 1293 OE1 GLN A 87 4.269 -4.243 3.721 1.00 1.14 O ATOM 1294 NE2 GLN A 87 2.960 -4.547 5.511 1.00 1.46 N ATOM 0 H GLN A 87 2.018 -9.219 4.693 1.00 0.33 H new ATOM 0 HA GLN A 87 1.604 -6.422 4.854 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.543 -8.332 3.768 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.324 -6.960 2.700 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.072 -6.822 5.638 1.00 0.49 H new ATOM 0 HG3 GLN A 87 5.165 -6.598 4.287 1.00 0.49 H new ATOM 0 HE21 GLN A 87 2.579 -5.195 6.201 1.00 1.46 H new ATOM 0 HE22 GLN A 87 2.705 -3.560 5.543 1.00 1.46 H new ATOM 1303 N ILE A 88 0.699 -7.991 2.106 1.00 0.25 N ATOM 1304 CA ILE A 88 -0.106 -7.922 0.896 1.00 0.22 C ATOM 1305 C ILE A 88 -1.521 -7.441 1.190 1.00 0.20 C ATOM 1306 O ILE A 88 -2.073 -6.637 0.446 1.00 0.20 O ATOM 1307 CB ILE A 88 -0.131 -9.296 0.197 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.155 -9.474 -0.589 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.334 -9.446 -0.710 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.344 -10.844 -1.180 1.00 0.23 C ATOM 0 H ILE A 88 1.084 -8.917 2.294 1.00 0.25 H new ATOM 0 HA ILE A 88 0.353 -7.193 0.228 1.00 0.22 H new ATOM 0 HB ILE A 88 -0.210 -10.071 0.959 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.178 -8.739 -1.394 1.00 0.22 H new ATOM 0 HG13 ILE A 88 1.999 -9.256 0.066 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.313 -10.428 -1.183 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.247 -9.345 -0.123 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.309 -8.673 -1.478 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.288 -10.879 -1.723 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.357 -11.586 -0.382 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.524 -11.061 -1.864 1.00 0.23 H new ATOM 1322 N ALA A 89 -2.100 -7.919 2.278 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.429 -7.484 2.680 1.00 0.21 C ATOM 1324 C ALA A 89 -3.426 -6.006 3.040 1.00 0.22 C ATOM 1325 O ALA A 89 -4.399 -5.298 2.792 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.926 -8.306 3.846 1.00 0.24 C ATOM 0 H ALA A 89 -1.673 -8.607 2.898 1.00 0.21 H new ATOM 0 HA ALA A 89 -4.104 -7.632 1.837 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.921 -7.966 4.133 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.970 -9.356 3.558 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.246 -8.189 4.690 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.326 -5.541 3.622 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.182 -4.129 3.942 1.00 0.27 C ATOM 1334 C LYS A 90 -2.009 -3.332 2.659 1.00 0.24 C ATOM 1335 O LYS A 90 -2.481 -2.204 2.543 1.00 0.26 O ATOM 1336 CB LYS A 90 -0.992 -3.891 4.877 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.046 -4.701 6.165 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.391 -4.571 6.868 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.693 -3.131 7.271 1.00 0.67 C ATOM 1340 NZ LYS A 90 -1.787 -2.648 8.348 1.00 1.26 N ATOM 0 H LYS A 90 -1.526 -6.119 3.880 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.083 -3.798 4.458 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.071 -4.133 4.346 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -0.946 -2.831 5.128 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.855 -5.750 5.941 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.253 -4.368 6.835 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.180 -4.936 6.210 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.398 -5.204 7.755 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.596 -2.484 6.399 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -3.727 -3.059 7.609 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -2.082 -1.697 8.649 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -1.834 -3.298 9.159 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -0.811 -2.611 7.990 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.331 -3.940 1.694 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.184 -3.355 0.375 1.00 0.22 C ATOM 1356 C ALA A 91 -2.538 -3.261 -0.305 1.00 0.19 C ATOM 1357 O ALA A 91 -2.867 -2.242 -0.898 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.212 -4.168 -0.462 1.00 0.22 C ATOM 0 H ALA A 91 -0.873 -4.844 1.805 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.778 -2.348 0.478 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.114 -3.715 -1.448 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.762 -4.187 0.027 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.585 -5.187 -0.566 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.324 -4.327 -0.196 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.685 -4.336 -0.714 1.00 0.16 C ATOM 1366 C TYR A 92 -5.518 -3.263 -0.048 1.00 0.16 C ATOM 1367 O TYR A 92 -6.248 -2.532 -0.711 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.359 -5.684 -0.484 1.00 0.15 C ATOM 1369 CG TYR A 92 -5.022 -6.745 -1.492 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.292 -6.563 -2.839 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.447 -7.934 -1.092 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.994 -7.546 -3.764 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -4.150 -8.922 -2.005 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.424 -8.726 -3.340 1.00 0.21 C ATOM 1375 OH TYR A 92 -4.142 -9.720 -4.247 1.00 0.24 O ATOM 0 H TYR A 92 -3.039 -5.199 0.249 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.619 -4.145 -1.785 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -5.084 -6.046 0.507 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.439 -5.537 -0.482 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.742 -5.639 -3.171 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.226 -8.092 -0.047 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -5.207 -7.390 -4.811 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.703 -9.848 -1.674 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.742 -10.484 -3.781 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.403 -3.179 1.267 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.139 -2.192 2.030 1.00 0.21 C ATOM 1387 C ALA A 93 -5.742 -0.789 1.612 1.00 0.23 C ATOM 1388 O ALA A 93 -6.570 0.110 1.580 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.910 -2.382 3.520 1.00 0.25 C ATOM 0 H ALA A 93 -4.804 -3.786 1.827 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.201 -2.329 1.824 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.472 -1.630 4.073 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.245 -3.376 3.816 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.848 -2.276 3.741 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.471 -0.613 1.279 1.00 0.24 N ATOM 1396 CA ARG A 94 -3.970 0.678 0.837 1.00 0.27 C ATOM 1397 C ARG A 94 -4.402 0.955 -0.601 1.00 0.24 C ATOM 1398 O ARG A 94 -4.708 2.093 -0.953 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.449 0.731 0.973 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.852 2.099 0.684 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.445 2.207 1.244 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.440 2.054 2.699 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.540 1.478 3.392 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.642 1.052 2.783 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.424 1.343 4.707 1.00 0.88 N ATOM 0 H ARG A 94 -3.767 -1.351 1.307 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.395 1.455 1.472 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.174 0.432 1.984 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.008 0.002 0.294 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.833 2.272 -0.392 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.482 2.874 1.121 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.188 1.443 0.793 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.018 3.173 0.976 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.242 2.413 3.218 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.743 1.165 1.774 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.386 0.612 3.324 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.413 1.680 5.182 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.172 0.902 5.242 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.436 -0.086 -1.426 1.00 0.21 N ATOM 1420 CA ILE A 95 -4.979 0.023 -2.776 1.00 0.21 C ATOM 1421 C ILE A 95 -6.435 0.452 -2.703 1.00 0.20 C ATOM 1422 O ILE A 95 -6.844 1.425 -3.335 1.00 0.24 O ATOM 1423 CB ILE A 95 -4.874 -1.313 -3.551 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.416 -1.672 -3.795 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.615 -1.235 -4.875 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.221 -3.010 -4.472 1.00 0.22 C ATOM 0 H ILE A 95 -4.094 -1.016 -1.184 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.391 0.767 -3.313 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.336 -2.090 -2.942 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.958 -0.895 -4.408 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -2.889 -1.678 -2.841 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.525 -2.187 -5.399 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.668 -1.020 -4.691 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.185 -0.442 -5.487 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.156 -3.195 -4.612 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.648 -3.798 -3.851 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.718 -3.003 -5.442 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.200 -0.268 -1.895 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.587 0.063 -1.697 1.00 0.18 C ATOM 1440 C GLY A 96 -8.756 1.409 -1.029 1.00 0.20 C ATOM 1441 O GLY A 96 -9.694 2.132 -1.322 1.00 0.23 O ATOM 0 H GLY A 96 -6.877 -1.081 -1.371 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.100 0.068 -2.659 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.060 -0.707 -1.088 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.837 1.742 -0.129 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.864 3.025 0.567 1.00 0.25 C ATOM 1447 C ASN A 97 -7.615 4.164 -0.414 1.00 0.25 C ATOM 1448 O ASN A 97 -8.187 5.242 -0.287 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.820 3.046 1.689 1.00 0.31 C ATOM 1450 CG ASN A 97 -6.990 4.211 2.646 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.093 4.721 2.840 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -5.897 4.628 3.268 1.00 1.64 N ATOM 0 H ASN A 97 -7.060 1.138 0.137 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.850 3.159 1.011 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -6.880 2.113 2.249 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -5.824 3.089 1.248 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -5.952 5.398 3.935 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.001 4.179 3.080 1.00 1.64 H new ATOM 1459 N SER A 98 -6.769 3.909 -1.405 1.00 0.26 N ATOM 1460 CA SER A 98 -6.519 4.873 -2.466 1.00 0.29 C ATOM 1461 C SER A 98 -7.808 5.140 -3.236 1.00 0.29 C ATOM 1462 O SER A 98 -8.196 6.291 -3.447 1.00 0.32 O ATOM 1463 CB SER A 98 -5.436 4.344 -3.404 1.00 0.32 C ATOM 1464 OG SER A 98 -4.256 4.028 -2.684 1.00 0.94 O ATOM 0 H SER A 98 -6.244 3.039 -1.495 1.00 0.26 H new ATOM 0 HA SER A 98 -6.173 5.809 -2.028 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.799 3.457 -3.923 1.00 0.32 H new ATOM 0 HB3 SER A 98 -5.213 5.090 -4.167 1.00 0.32 H new ATOM 0 HG SER A 98 -4.334 3.127 -2.307 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.479 4.059 -3.618 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.773 4.144 -4.281 1.00 0.29 C ATOM 1472 C TYR A 99 -10.798 4.813 -3.368 1.00 0.28 C ATOM 1473 O TYR A 99 -11.619 5.613 -3.809 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.272 2.749 -4.650 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.544 2.092 -5.799 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.591 2.626 -7.077 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.780 0.955 -5.594 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.894 2.047 -8.115 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -8.085 0.365 -6.624 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.276 0.852 -7.933 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.436 0.344 -8.914 1.00 0.43 O ATOM 0 H TYR A 99 -8.144 3.106 -3.478 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.651 4.739 -5.186 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.190 2.107 -3.773 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.331 2.813 -4.900 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.183 3.510 -7.262 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.729 0.523 -4.605 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -8.839 2.543 -9.073 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.407 -0.454 -6.434 1.00 0.32 H new ATOM 0 HH TYR A 99 -7.580 0.831 -9.752 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.729 4.460 -2.094 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.621 4.983 -1.065 1.00 0.27 C ATOM 1493 C PHE A 100 -11.535 6.507 -1.001 1.00 0.32 C ATOM 1494 O PHE A 100 -12.545 7.192 -0.841 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.228 4.345 0.274 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.102 4.682 1.451 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.369 4.131 1.577 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.674 5.587 2.405 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.184 4.470 2.641 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.486 5.936 3.465 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.691 5.233 3.664 1.00 0.37 C ATOM 0 H PHE A 100 -10.044 3.793 -1.739 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.656 4.733 -1.299 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.223 3.262 0.149 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.206 4.643 0.509 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.722 3.430 0.836 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.691 6.027 2.319 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.210 4.133 2.665 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.202 6.736 4.132 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.215 5.295 4.606 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.327 7.034 -1.156 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.120 8.476 -1.151 1.00 0.38 C ATOM 1513 C LYS A 101 -10.576 9.096 -2.469 1.00 0.41 C ATOM 1514 O LYS A 101 -11.031 10.239 -2.504 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.644 8.821 -0.937 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.027 8.211 0.310 1.00 0.57 C ATOM 1517 CD LYS A 101 -8.855 8.458 1.569 1.00 0.68 C ATOM 1518 CE LYS A 101 -8.755 9.896 2.069 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.543 10.855 1.248 1.00 0.74 N ATOM 0 H LYS A 101 -9.477 6.485 -1.287 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.711 8.881 -0.330 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.077 8.489 -1.807 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.542 9.905 -0.884 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -7.911 7.137 0.163 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.028 8.623 0.453 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -9.899 8.221 1.364 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.523 7.781 2.356 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -9.102 9.940 3.101 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -7.709 10.202 2.070 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.864 11.642 1.847 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -8.948 11.225 0.480 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -10.368 10.369 0.843 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.446 8.337 -3.552 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.693 8.867 -4.887 1.00 0.40 C ATOM 1535 C GLU A 102 -12.146 8.643 -5.321 1.00 0.39 C ATOM 1536 O GLU A 102 -12.525 8.990 -6.441 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.723 8.237 -5.884 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.258 7.009 -6.593 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.285 6.479 -7.622 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -9.241 7.041 -8.740 1.00 0.57 O ATOM 1541 OE2 GLU A 102 -8.559 5.516 -7.323 1.00 0.45 O ATOM 0 H GLU A 102 -10.172 7.355 -3.531 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.526 9.944 -4.864 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.454 8.984 -6.631 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.807 7.967 -5.359 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.470 6.231 -5.860 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.202 7.254 -7.079 1.00 0.38 H new ATOM 1548 N GLU A 103 -12.935 8.048 -4.421 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.372 7.809 -4.626 1.00 0.35 C ATOM 1550 C GLU A 103 -14.626 6.574 -5.506 1.00 0.35 C ATOM 1551 O GLU A 103 -15.741 6.351 -5.980 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.064 9.047 -5.217 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.580 9.016 -5.112 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.238 10.079 -5.959 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.437 11.204 -5.455 1.00 1.31 O ATOM 1556 OE2 GLU A 103 -17.560 9.800 -7.134 1.00 1.47 O ATOM 0 H GLU A 103 -12.593 7.714 -3.520 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.805 7.611 -3.646 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.693 9.936 -4.707 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.784 9.141 -6.266 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.943 8.035 -5.419 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -16.872 9.153 -4.071 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.599 5.760 -5.709 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.761 4.491 -6.410 1.00 0.31 C ATOM 1565 C LYS A 104 -14.018 3.376 -5.411 1.00 0.28 C ATOM 1566 O LYS A 104 -13.274 2.400 -5.330 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.533 4.164 -7.249 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.503 4.866 -8.593 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.388 4.338 -9.477 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.456 4.922 -10.877 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.707 4.539 -11.587 1.00 1.89 N ATOM 0 H LYS A 104 -12.647 5.954 -5.400 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.616 4.581 -7.081 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.639 4.436 -6.688 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.492 3.087 -7.412 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.461 4.731 -9.096 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.371 5.937 -8.441 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.424 4.578 -9.029 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.452 3.251 -9.533 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.392 6.009 -10.819 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.595 4.582 -11.453 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.598 4.720 -12.605 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.898 3.528 -11.434 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.501 5.101 -11.219 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.091 3.530 -4.663 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.442 2.601 -3.596 1.00 0.25 C ATOM 1587 C TYR A 105 -15.693 1.195 -4.128 1.00 0.26 C ATOM 1588 O TYR A 105 -15.469 0.216 -3.418 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.667 3.108 -2.848 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.452 4.464 -2.229 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.553 4.644 -1.189 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.171 5.562 -2.674 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.375 5.883 -0.611 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.005 6.801 -2.100 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.007 6.963 -1.112 1.00 0.38 C ATOM 1596 OH TYR A 105 -15.950 8.192 -0.487 1.00 0.46 O ATOM 0 H TYR A 105 -15.748 4.302 -4.774 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.596 2.545 -2.911 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.512 3.157 -3.535 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -16.931 2.395 -2.067 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -14.984 3.801 -0.826 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -17.874 5.443 -3.485 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.727 5.989 0.246 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.625 7.634 -2.398 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.469 8.845 -1.002 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.146 1.096 -5.375 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.359 -0.206 -6.001 1.00 0.35 C ATOM 1608 C LYS A 106 -15.053 -0.988 -6.042 1.00 0.31 C ATOM 1609 O LYS A 106 -15.016 -2.184 -5.746 1.00 0.31 O ATOM 1610 CB LYS A 106 -16.900 -0.057 -7.423 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.261 0.608 -7.505 1.00 0.56 C ATOM 1612 CD LYS A 106 -18.787 0.594 -8.928 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.095 1.351 -9.051 1.00 0.94 C ATOM 1614 NZ LYS A 106 -19.920 2.811 -8.833 1.00 1.57 N ATOM 0 H LYS A 106 -16.371 1.895 -5.968 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.094 -0.744 -5.403 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.189 0.523 -8.011 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -16.962 -1.044 -7.881 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -18.962 0.092 -6.849 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.190 1.636 -7.150 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.046 1.037 -9.594 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -18.931 -0.437 -9.252 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.520 1.181 -10.040 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.809 0.960 -8.326 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -20.785 3.311 -9.123 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -19.736 2.992 -7.825 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -19.117 3.153 -9.398 1.00 1.57 H new ATOM 1628 N ASP A 107 -13.983 -0.302 -6.408 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.665 -0.913 -6.454 1.00 0.29 C ATOM 1630 C ASP A 107 -12.079 -1.001 -5.054 1.00 0.23 C ATOM 1631 O ASP A 107 -11.315 -1.918 -4.752 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.733 -0.121 -7.371 1.00 0.33 C ATOM 1633 CG ASP A 107 -11.964 -0.415 -8.838 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -12.888 0.181 -9.431 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.221 -1.242 -9.412 1.00 0.67 O ATOM 0 H ASP A 107 -14.002 0.681 -6.678 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.766 -1.921 -6.858 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.874 0.945 -7.192 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.698 -0.352 -7.117 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.454 -0.049 -4.204 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.031 -0.052 -2.809 1.00 0.18 C ATOM 1642 C ALA A 108 -12.433 -1.362 -2.144 1.00 0.16 C ATOM 1643 O ALA A 108 -11.581 -2.136 -1.717 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.623 1.141 -2.056 1.00 0.18 C ATOM 0 H ALA A 108 -13.052 0.737 -4.459 1.00 0.22 H new ATOM 0 HA ALA A 108 -10.945 0.038 -2.776 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.293 1.116 -1.018 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.288 2.068 -2.521 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.711 1.090 -2.092 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.736 -1.617 -2.109 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.283 -2.833 -1.513 1.00 0.18 C ATOM 1652 C ILE A 109 -13.748 -4.076 -2.213 1.00 0.19 C ATOM 1653 O ILE A 109 -13.502 -5.100 -1.572 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.824 -2.814 -1.586 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.360 -1.643 -0.775 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.412 -4.116 -1.076 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.595 -1.008 -1.365 1.00 0.51 C ATOM 0 H ILE A 109 -14.443 -0.989 -2.492 1.00 0.17 H new ATOM 0 HA ILE A 109 -13.971 -2.866 -0.469 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.119 -2.699 -2.629 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.586 -1.986 0.235 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.580 -0.886 -0.688 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.499 -4.074 -1.139 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.045 -4.943 -1.683 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.115 -4.268 -0.038 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -17.917 -0.182 -0.732 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.370 -0.633 -2.364 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.391 -1.750 -1.427 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.559 -3.975 -3.524 1.00 0.20 N ATOM 1670 CA HIS A 110 -13.003 -5.075 -4.301 1.00 0.23 C ATOM 1671 C HIS A 110 -11.674 -5.525 -3.711 1.00 0.20 C ATOM 1672 O HIS A 110 -11.507 -6.688 -3.349 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.802 -4.661 -5.762 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.302 -5.771 -6.638 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -13.136 -6.635 -7.310 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -11.040 -6.154 -6.949 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.410 -7.499 -7.993 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -11.137 -7.228 -7.796 1.00 0.40 N ATOM 0 H HIS A 110 -13.783 -3.143 -4.070 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.710 -5.904 -4.264 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.748 -4.293 -6.160 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -12.096 -3.832 -5.802 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -14.155 -6.611 -7.284 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -10.127 -5.698 -6.595 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.796 -8.296 -8.611 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.736 -4.594 -3.607 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.409 -4.908 -3.101 1.00 0.17 C ATOM 1689 C PHE A 111 -9.426 -5.102 -1.593 1.00 0.16 C ATOM 1690 O PHE A 111 -8.575 -5.799 -1.061 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.409 -3.830 -3.510 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.095 -3.854 -4.980 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.156 -4.732 -5.489 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.742 -2.993 -5.853 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -6.870 -4.756 -6.838 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.460 -3.014 -7.204 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.507 -3.896 -7.694 1.00 0.32 C ATOM 0 H PHE A 111 -10.870 -3.617 -3.866 1.00 0.18 H new ATOM 0 HA PHE A 111 -9.091 -5.850 -3.547 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.808 -2.851 -3.244 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.487 -3.963 -2.944 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.640 -5.407 -4.822 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.475 -2.298 -5.472 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.141 -5.455 -7.221 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -8.979 -2.347 -7.877 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.268 -3.905 -8.747 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.399 -4.505 -0.909 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.595 -4.763 0.519 1.00 0.17 C ATOM 1709 C TYR A 112 -10.927 -6.229 0.742 1.00 0.20 C ATOM 1710 O TYR A 112 -10.319 -6.883 1.575 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.728 -3.904 1.097 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.402 -2.441 1.285 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.107 -2.014 1.556 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.404 -1.481 1.204 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -9.825 -0.674 1.736 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.130 -0.145 1.384 1.00 0.23 C ATOM 1717 CZ TYR A 112 -10.840 0.254 1.650 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.566 1.586 1.833 1.00 0.32 O ATOM 0 H TYR A 112 -11.061 -3.844 -1.315 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.667 -4.505 1.029 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.593 -3.984 0.439 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.021 -4.320 2.061 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.311 -2.740 1.627 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.418 -1.790 0.996 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -8.814 -0.355 1.943 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -12.922 0.586 1.317 1.00 0.23 H new ATOM 0 HH TYR A 112 -9.810 1.683 2.449 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.887 -6.748 -0.008 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.238 -8.161 0.078 1.00 0.28 C ATOM 1730 C ASN A 113 -11.034 -9.019 -0.308 1.00 0.27 C ATOM 1731 O ASN A 113 -10.880 -10.145 0.157 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.426 -8.460 -0.841 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.960 -9.872 -0.688 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -14.413 -10.481 -1.657 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -13.934 -10.392 0.529 1.00 1.23 N ATOM 0 H ASN A 113 -12.437 -6.215 -0.682 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.522 -8.399 1.103 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.227 -7.751 -0.631 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -13.124 -8.303 -1.877 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -14.298 -11.331 0.690 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -13.550 -9.854 1.306 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.177 -8.460 -1.156 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.907 -9.083 -1.508 1.00 0.24 C ATOM 1744 C LYS A 114 -7.935 -9.011 -0.330 1.00 0.21 C ATOM 1745 O LYS A 114 -7.069 -9.870 -0.169 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.296 -8.372 -2.706 1.00 0.26 C ATOM 1747 CG LYS A 114 -9.130 -8.445 -3.969 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.441 -9.289 -5.006 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.910 -8.959 -6.405 1.00 0.48 C ATOM 1750 NZ LYS A 114 -8.361 -9.902 -7.413 1.00 1.25 N ATOM 0 H LYS A 114 -10.343 -7.565 -1.617 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.091 -10.128 -1.757 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.138 -7.324 -2.450 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.315 -8.803 -2.907 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -10.110 -8.865 -3.741 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.297 -7.441 -4.360 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.364 -9.138 -4.939 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.629 -10.343 -4.799 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.999 -8.987 -6.438 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.609 -7.942 -6.658 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.707 -9.640 -8.358 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -7.322 -9.858 -7.400 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.669 -10.869 -7.187 1.00 1.25 H new ATOM 1764 N SER A 115 -8.080 -7.967 0.480 1.00 0.20 N ATOM 1765 CA SER A 115 -7.290 -7.814 1.693 1.00 0.21 C ATOM 1766 C SER A 115 -7.742 -8.872 2.696 1.00 0.25 C ATOM 1767 O SER A 115 -6.925 -9.574 3.292 1.00 0.28 O ATOM 1768 CB SER A 115 -7.490 -6.419 2.295 1.00 0.23 C ATOM 1769 OG SER A 115 -7.709 -5.437 1.303 1.00 1.04 O ATOM 0 H SER A 115 -8.743 -7.210 0.315 1.00 0.20 H new ATOM 0 HA SER A 115 -6.233 -7.936 1.457 1.00 0.21 H new ATOM 0 HB2 SER A 115 -8.339 -6.438 2.979 1.00 0.23 H new ATOM 0 HB3 SER A 115 -6.613 -6.150 2.883 1.00 0.23 H new ATOM 0 HG SER A 115 -7.518 -4.550 1.673 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.067 -8.983 2.851 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.677 -10.039 3.660 1.00 0.31 C ATOM 1777 C LEU A 116 -9.243 -11.406 3.142 1.00 0.33 C ATOM 1778 O LEU A 116 -9.062 -12.353 3.910 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.216 -9.962 3.622 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.895 -8.910 4.521 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.267 -8.884 5.895 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.864 -7.526 3.905 1.00 0.35 C ATOM 0 H LEU A 116 -9.740 -8.348 2.422 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.344 -9.899 4.688 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.519 -9.771 2.592 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.609 -10.942 3.893 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.940 -9.206 4.617 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.765 -8.133 6.509 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.373 -9.863 6.362 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.209 -8.637 5.807 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.354 -6.819 4.574 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.829 -7.221 3.748 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.386 -7.542 2.948 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.076 -11.480 1.825 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.692 -12.706 1.143 1.00 0.33 C ATOM 1796 C ALA A 117 -7.335 -13.209 1.626 1.00 0.33 C ATOM 1797 O ALA A 117 -7.129 -14.414 1.764 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.671 -12.481 -0.367 1.00 0.32 C ATOM 0 H ALA A 117 -9.205 -10.685 1.199 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.432 -13.471 1.379 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.382 -13.405 -0.869 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.663 -12.180 -0.704 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -7.953 -11.697 -0.608 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.421 -12.285 1.901 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.071 -12.653 2.303 1.00 0.30 C ATOM 1806 C GLU A 118 -4.901 -12.617 3.820 1.00 0.32 C ATOM 1807 O GLU A 118 -4.422 -13.575 4.420 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.052 -11.719 1.653 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.052 -11.770 0.133 1.00 0.30 C ATOM 1810 CD GLU A 118 -4.007 -13.183 -0.419 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -2.961 -13.850 -0.272 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -5.021 -13.642 -0.985 1.00 0.53 O ATOM 0 H GLU A 118 -6.590 -11.280 1.853 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.900 -13.676 1.967 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.255 -10.697 1.973 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.056 -11.975 2.015 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.945 -11.269 -0.241 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.194 -11.213 -0.243 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.309 -11.521 4.439 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.106 -11.328 5.871 1.00 0.36 C ATOM 1821 C HIS A 119 -6.277 -10.552 6.459 1.00 0.37 C ATOM 1822 O HIS A 119 -6.337 -9.324 6.383 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.756 -10.623 6.112 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.499 -10.115 7.506 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.652 -9.054 7.770 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -3.920 -10.557 8.705 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.564 -8.880 9.076 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.322 -9.780 9.663 1.00 0.50 N ATOM 0 H HIS A 119 -5.784 -10.748 3.973 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.068 -12.292 6.378 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.958 -11.317 5.850 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.684 -9.781 5.424 1.00 0.35 H new ATOM 0 HD1 HIS A 119 -2.171 -8.494 7.066 1.00 0.42 H new ATOM 0 HD2 HIS A 119 -4.604 -11.374 8.881 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -1.972 -8.128 9.576 1.00 0.48 H new ATOM 1837 N ARG A 120 -7.204 -11.293 7.047 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.420 -10.721 7.590 1.00 0.43 C ATOM 1839 C ARG A 120 -8.131 -9.916 8.847 1.00 0.46 C ATOM 1840 O ARG A 120 -7.681 -10.453 9.860 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.436 -11.824 7.884 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.684 -11.334 8.596 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.767 -12.396 8.609 1.00 0.62 C ATOM 1844 NE ARG A 120 -11.327 -13.628 9.259 1.00 1.38 N ATOM 1845 CZ ARG A 120 -12.160 -14.572 9.689 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.472 -14.416 9.542 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -11.682 -15.669 10.261 1.00 2.87 N ATOM 0 H ARG A 120 -7.132 -12.304 7.159 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.840 -10.044 6.846 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.726 -12.297 6.946 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.959 -12.591 8.494 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.435 -11.054 9.619 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.058 -10.437 8.102 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -12.646 -12.009 9.125 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -12.070 -12.616 7.585 1.00 0.62 H new ATOM 0 HE ARG A 120 -10.326 -13.772 9.390 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -13.839 -13.573 9.100 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.112 -15.139 9.871 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -10.675 -15.789 10.371 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -12.321 -16.392 10.590 1.00 2.87 H new ATOM 1861 N THR A 121 -8.385 -8.623 8.762 1.00 0.45 N ATOM 1862 CA THR A 121 -8.174 -7.722 9.877 1.00 0.50 C ATOM 1863 C THR A 121 -9.277 -6.682 9.942 1.00 0.49 C ATOM 1864 O THR A 121 -9.746 -6.174 8.919 1.00 0.47 O ATOM 1865 CB THR A 121 -6.805 -7.030 9.780 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.537 -6.643 8.425 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.704 -7.939 10.288 1.00 0.62 C ATOM 0 H THR A 121 -8.742 -8.170 7.921 1.00 0.45 H new ATOM 0 HA THR A 121 -8.195 -8.316 10.790 1.00 0.50 H new ATOM 0 HB THR A 121 -6.831 -6.137 10.405 1.00 0.53 H new ATOM 0 HG1 THR A 121 -5.663 -6.202 8.377 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.745 -7.428 10.209 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.895 -8.194 11.330 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.679 -8.850 9.690 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.712 -6.400 11.179 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.800 -5.471 11.509 1.00 0.56 C ATOM 1877 C PRO A 122 -10.752 -4.154 10.747 1.00 0.51 C ATOM 1878 O PRO A 122 -11.793 -3.596 10.428 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.601 -5.214 13.013 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.306 -5.876 13.358 1.00 0.76 C ATOM 1881 CD PRO A 122 -9.166 -6.996 12.398 1.00 0.69 C ATOM 0 HA PRO A 122 -11.766 -5.899 11.239 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.566 -4.146 13.228 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.423 -5.630 13.595 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.473 -5.178 13.271 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.312 -6.239 14.386 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -8.128 -7.304 12.275 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -9.726 -7.878 12.711 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.550 -3.661 10.462 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.392 -2.377 9.777 1.00 0.48 C ATOM 1891 C ASP A 123 -9.939 -2.424 8.363 1.00 0.40 C ATOM 1892 O ASP A 123 -10.701 -1.547 7.961 1.00 0.40 O ATOM 1893 CB ASP A 123 -7.929 -1.950 9.739 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.354 -1.713 11.117 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.659 -0.661 11.722 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -6.594 -2.576 11.600 1.00 2.20 O ATOM 0 H ASP A 123 -8.673 -4.127 10.693 1.00 0.50 H new ATOM 0 HA ASP A 123 -9.964 -1.645 10.347 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.344 -2.718 9.233 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -7.836 -1.038 9.149 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.566 -3.442 7.603 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.026 -3.534 6.227 1.00 0.29 C ATOM 1903 C VAL A 124 -11.480 -3.962 6.195 1.00 0.28 C ATOM 1904 O VAL A 124 -12.226 -3.584 5.304 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.221 -4.523 5.375 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.435 -4.212 3.906 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.742 -4.510 5.725 1.00 0.31 C ATOM 0 H VAL A 124 -8.958 -4.202 7.908 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.890 -2.540 5.801 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.581 -5.529 5.589 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.864 -4.914 3.299 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.494 -4.303 3.665 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.101 -3.196 3.697 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.213 -5.226 5.096 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.337 -3.512 5.558 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.614 -4.783 6.772 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.872 -4.766 7.171 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.263 -5.165 7.318 1.00 0.38 C ATOM 1919 C LEU A 125 -14.105 -3.921 7.580 1.00 0.38 C ATOM 1920 O LEU A 125 -15.169 -3.724 6.988 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.384 -6.178 8.465 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.737 -6.881 8.604 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.560 -8.227 9.287 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.710 -6.024 9.400 1.00 0.54 C ATOM 0 H LEU A 125 -11.245 -5.156 7.875 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.625 -5.644 6.408 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.614 -6.939 8.333 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.167 -5.664 9.401 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.145 -7.036 7.605 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.529 -8.718 9.380 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.893 -8.851 8.693 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.131 -8.079 10.278 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.665 -6.543 9.487 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.304 -5.842 10.395 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.859 -5.073 8.889 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.588 -3.080 8.464 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.170 -1.781 8.764 1.00 0.42 C ATOM 1938 C LYS A 126 -14.260 -0.929 7.505 1.00 0.39 C ATOM 1939 O LYS A 126 -15.317 -0.397 7.176 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.308 -1.085 9.817 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.670 0.361 10.079 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.853 0.917 11.232 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.391 2.254 11.709 1.00 1.37 C ATOM 1944 NZ LYS A 126 -14.809 2.152 12.145 1.00 2.04 N ATOM 0 H LYS A 126 -12.743 -3.283 8.999 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.181 -1.917 9.148 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.384 -1.639 10.753 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.266 -1.133 9.502 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.493 0.954 9.182 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.733 0.440 10.308 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -12.860 0.206 12.059 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.815 1.033 10.920 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.781 2.618 12.536 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -13.309 2.987 10.906 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -15.022 2.918 12.816 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -15.433 2.234 11.317 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -14.965 1.233 12.607 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.139 -0.822 6.806 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.061 -0.051 5.573 1.00 0.31 C ATOM 1960 C LYS A 127 -14.009 -0.584 4.517 1.00 0.27 C ATOM 1961 O LYS A 127 -14.664 0.183 3.811 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.637 -0.072 5.030 1.00 0.31 C ATOM 1963 CG LYS A 127 -10.878 1.211 5.303 1.00 0.52 C ATOM 1964 CD LYS A 127 -10.755 1.498 6.789 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.316 2.931 7.029 1.00 0.82 C ATOM 1966 NZ LYS A 127 -9.914 3.158 8.441 1.00 1.48 N ATOM 0 H LYS A 127 -12.261 -1.265 7.076 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.353 0.972 5.809 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.097 -0.908 5.475 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.667 -0.248 3.955 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -9.883 1.143 4.864 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.386 2.043 4.815 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -11.713 1.320 7.278 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.036 0.813 7.238 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.481 3.170 6.371 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.130 3.608 6.770 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -9.621 4.148 8.564 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -10.718 2.955 9.068 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.121 2.530 8.681 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.076 -1.899 4.415 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.900 -2.542 3.417 1.00 0.26 C ATOM 1982 C CYS A 128 -16.366 -2.208 3.648 1.00 0.29 C ATOM 1983 O CYS A 128 -17.094 -1.880 2.709 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.686 -4.057 3.441 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.626 -4.954 2.187 1.00 0.91 S ATOM 0 H CYS A 128 -13.564 -2.544 5.018 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.610 -2.169 2.435 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.625 -4.266 3.303 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.960 -4.436 4.425 1.00 0.26 H new ATOM 0 HG CYS A 128 -14.851 -5.234 1.181 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.790 -2.275 4.902 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.154 -1.929 5.253 1.00 0.36 C ATOM 1993 C GLN A 129 -18.373 -0.428 5.121 1.00 0.32 C ATOM 1994 O GLN A 129 -19.442 0.015 4.701 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.489 -2.395 6.668 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.563 -3.907 6.793 1.00 0.50 C ATOM 1997 CD GLN A 129 -19.057 -4.372 8.151 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -18.692 -5.449 8.624 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -19.901 -3.572 8.784 1.00 1.10 N ATOM 0 H GLN A 129 -16.209 -2.565 5.689 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.822 -2.441 4.561 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.735 -2.015 7.358 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.443 -1.964 6.970 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.225 -4.297 6.020 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.575 -4.329 6.609 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -20.180 -2.687 8.360 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -20.272 -3.840 9.695 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.343 0.347 5.461 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.404 1.799 5.368 1.00 0.30 C ATOM 2010 C GLN A 130 -17.686 2.227 3.934 1.00 0.26 C ATOM 2011 O GLN A 130 -18.642 2.949 3.676 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.092 2.434 5.847 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.184 3.934 6.080 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.289 4.310 7.050 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -17.083 4.348 8.262 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -18.465 4.600 6.521 1.00 1.65 N ATOM 0 H GLN A 130 -16.453 -0.013 5.805 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.214 2.143 6.011 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -15.782 1.950 6.773 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.314 2.238 5.109 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.230 4.297 6.464 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.356 4.435 5.128 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -18.594 4.556 5.510 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -19.243 4.868 7.124 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.864 1.757 3.006 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.011 2.118 1.601 1.00 0.21 C ATOM 2027 C ALA A 131 -18.341 1.631 1.039 1.00 0.23 C ATOM 2028 O ALA A 131 -18.954 2.301 0.209 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.858 1.557 0.788 1.00 0.20 C ATOM 0 H ALA A 131 -16.088 1.124 3.200 1.00 0.23 H new ATOM 0 HA ALA A 131 -16.996 3.206 1.532 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -15.982 1.835 -0.259 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.918 1.962 1.162 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.845 0.471 0.876 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.784 0.470 1.503 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.030 -0.115 1.029 1.00 0.35 C ATOM 2037 C GLU A 132 -21.215 0.746 1.465 1.00 0.35 C ATOM 2038 O GLU A 132 -22.080 1.083 0.655 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.156 -1.544 1.556 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.035 -2.467 0.716 1.00 1.02 C ATOM 2041 CD GLU A 132 -22.500 -2.079 0.709 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -23.175 -2.254 1.744 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -22.990 -1.602 -0.334 1.00 2.04 O ATOM 0 H GLU A 132 -18.298 -0.085 2.208 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.028 -0.149 -0.060 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.159 -1.979 1.624 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.557 -1.508 2.569 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -20.665 -2.471 -0.309 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.940 -3.485 1.093 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.232 1.131 2.738 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.319 1.949 3.264 1.00 0.36 C ATOM 2052 C LYS A 133 -22.227 3.372 2.721 1.00 0.37 C ATOM 2053 O LYS A 133 -23.247 4.027 2.511 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.314 1.941 4.795 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.120 2.633 5.427 1.00 0.36 C ATOM 2056 CD LYS A 133 -20.888 2.152 6.850 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.137 2.284 7.706 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.923 1.744 9.072 1.00 1.90 N ATOM 0 H LYS A 133 -20.511 0.892 3.419 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.265 1.520 2.933 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.226 2.421 5.151 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.343 0.907 5.140 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.229 2.444 4.828 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.281 3.711 5.428 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -20.569 1.110 6.833 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.078 2.726 7.299 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -22.426 3.333 7.770 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.963 1.755 7.230 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -22.795 1.851 9.628 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -21.672 0.737 9.012 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -21.152 2.266 9.535 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.001 3.834 2.485 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.776 5.120 1.836 1.00 0.34 C ATOM 2074 C ILE A 134 -21.392 5.115 0.446 1.00 0.39 C ATOM 2075 O ILE A 134 -22.192 5.986 0.111 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.267 5.456 1.733 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.704 5.846 3.093 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.019 6.573 0.748 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.221 6.149 3.077 1.00 0.33 C ATOM 0 H ILE A 134 -20.148 3.334 2.735 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.251 5.886 2.449 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.760 4.558 1.379 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.240 6.721 3.460 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -18.892 5.037 3.799 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -17.951 6.785 0.699 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.375 6.274 -0.238 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.552 7.468 1.071 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -16.894 6.419 4.081 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.673 5.268 2.741 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.026 6.978 2.397 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.037 4.111 -0.350 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.572 3.981 -1.697 1.00 0.48 C ATOM 2093 C LEU A 135 -23.090 3.896 -1.668 1.00 0.58 C ATOM 2094 O LEU A 135 -23.771 4.446 -2.532 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.007 2.748 -2.392 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.062 3.045 -3.549 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.581 1.753 -4.189 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -20.735 3.938 -4.581 1.00 1.37 C ATOM 0 H LEU A 135 -20.381 3.377 -0.084 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.275 4.868 -2.256 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.478 2.143 -1.655 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -21.836 2.146 -2.764 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.196 3.577 -3.155 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -18.907 1.984 -5.014 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.054 1.154 -3.447 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.437 1.193 -4.566 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.041 4.137 -5.398 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.622 3.439 -4.971 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.025 4.879 -4.114 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.605 3.223 -0.650 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.036 3.032 -0.484 1.00 0.72 C ATOM 2112 C LYS A 136 -25.747 4.367 -0.258 1.00 0.77 C ATOM 2113 O LYS A 136 -26.915 4.527 -0.608 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.284 2.090 0.687 1.00 0.79 C ATOM 2115 CG LYS A 136 -26.687 1.508 0.727 1.00 1.26 C ATOM 2116 CD LYS A 136 -26.885 0.604 1.935 1.00 1.73 C ATOM 2117 CE LYS A 136 -25.795 -0.456 2.047 1.00 2.54 C ATOM 2118 NZ LYS A 136 -25.715 -1.325 0.840 1.00 3.36 N ATOM 0 H LYS A 136 -23.041 2.794 0.084 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.442 2.593 -1.396 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -24.564 1.273 0.641 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.098 2.627 1.617 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.416 2.317 0.754 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -26.873 0.942 -0.186 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -26.895 1.209 2.842 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -27.858 0.117 1.866 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -24.833 0.032 2.203 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -25.984 -1.075 2.924 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -24.982 -2.049 0.981 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -26.633 -1.788 0.684 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -25.474 -0.746 0.011 1.00 3.36 H new ATOM 2132 N GLU A 137 -25.033 5.319 0.330 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.567 6.657 0.554 1.00 0.82 C ATOM 2134 C GLU A 137 -25.306 7.555 -0.653 1.00 0.87 C ATOM 2135 O GLU A 137 -25.975 8.570 -0.847 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.944 7.277 1.804 1.00 0.82 C ATOM 2137 CG GLU A 137 -25.325 6.562 3.087 1.00 1.02 C ATOM 2138 CD GLU A 137 -24.614 7.121 4.303 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -25.052 8.163 4.830 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -23.594 6.534 4.726 1.00 2.28 O ATOM 0 H GLU A 137 -24.077 5.188 0.662 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.644 6.570 0.698 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.859 7.270 1.702 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -25.251 8.321 1.874 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -26.402 6.639 3.234 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -25.091 5.502 2.990 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.325 7.174 -1.458 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.941 7.955 -2.626 1.00 0.89 C ATOM 2149 C GLN A 138 -24.870 7.684 -3.808 1.00 1.04 C ATOM 2150 O GLN A 138 -25.196 8.596 -4.570 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.495 7.646 -3.012 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.485 8.084 -1.964 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.262 9.586 -1.941 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -22.150 10.371 -2.275 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -20.071 9.999 -1.541 1.00 1.60 N ATOM 0 H GLN A 138 -23.777 6.324 -1.323 1.00 0.80 H new ATOM 0 HA GLN A 138 -24.027 9.010 -2.367 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.392 6.574 -3.179 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.265 8.139 -3.956 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.826 7.758 -0.981 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.535 7.585 -2.153 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -19.360 9.320 -1.272 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -19.864 10.997 -1.502 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.285 6.432 -3.958 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.156 6.041 -5.059 1.00 1.35 C ATOM 2166 C GLU A 139 -27.586 6.532 -4.834 1.00 1.86 C ATOM 2167 O GLU A 139 -28.292 5.966 -3.979 1.00 2.30 O ATOM 2168 CB GLU A 139 -26.129 4.520 -5.272 1.00 1.47 C ATOM 2169 CG GLU A 139 -26.375 3.699 -4.014 1.00 1.46 C ATOM 2170 CD GLU A 139 -26.644 2.238 -4.316 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -27.823 1.881 -4.532 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -25.684 1.439 -4.342 1.00 1.94 O ATOM 2173 OXT GLU A 139 -28.001 7.487 -5.520 1.00 2.51 O ATOM 0 H GLU A 139 -25.032 5.669 -3.330 1.00 1.14 H new ATOM 0 HA GLU A 139 -25.777 6.516 -5.964 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -26.882 4.257 -6.015 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -25.161 4.242 -5.688 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.508 3.777 -3.358 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -27.223 4.117 -3.472 1.00 1.46 H new TER 2180 GLU A 139