USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 669 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 Single : A 1 GLY N :NH3+ -121:sc= 0.11 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 5 HIS : no HE2:sc= 0.124 K(o=0.12,f=-0.68) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 15 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.14) USER MOD Single : A 16 LYS NZ :NH3+ -136:sc= -0.93 (180deg=-3.08!) USER MOD Single : A 17 SER OG : rot 130:sc= 0.901 USER MOD Single : A 19 MET CE :methyl 163:sc= -0.105 (180deg=-0.486) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0018) USER MOD Single : A 24 ASN : amide:sc= 0.0352 K(o=0.035,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -1.24 (180deg=-3.13!) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 2.23 (180deg=1.85) USER MOD Single : A 33 LYS NZ :NH3+ -171:sc=-0.000148 (180deg=-0.109) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0377 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.858 K(o=-0.86,f=-0.0022) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 161:sc= -0.123 (180deg=-0.625) USER MOD Single : A 45 SER OG : rot 125:sc= 1.27 USER MOD Single : A 47 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 48 CYS SG : rot 180:sc= -5.38! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.39! K(o=-2.4!,f=-0.11) USER MOD Single : A 54 THR OG1 : rot 116:sc= 0.63 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.234 USER MOD Single : A 67 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-6.5!) USER MOD Single : A 71 LYS NZ :NH3+ -117:sc= 0.242 (180deg=-0.106) USER MOD Single : A 72 HIS : no HE2:sc= -0.263 K(o=-0.26,f=-1.7) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 145:sc= -0.0359 USER MOD Single : A 83 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 85 LYS NZ :NH3+ 152:sc= 0.941 (180deg=-0.032) USER MOD Single : A 86 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0562) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.098 -11.375 -28.063 1.00 19.14 N ATOM 2 CA GLY A 1 7.264 -10.712 -27.063 1.00 18.53 C ATOM 3 C GLY A 1 7.903 -9.455 -26.566 1.00 18.04 C ATOM 4 O GLY A 1 9.039 -9.161 -26.920 1.00 17.99 O ATOM 0 H1 GLY A 1 7.568 -11.463 -28.954 1.00 19.14 H new ATOM 0 H2 GLY A 1 8.958 -10.813 -28.226 1.00 19.14 H new ATOM 0 H3 GLY A 1 8.362 -12.321 -27.722 1.00 19.14 H new ATOM 0 HA2 GLY A 1 6.290 -10.481 -27.495 1.00 18.53 H new ATOM 0 HA3 GLY A 1 7.089 -11.388 -26.226 1.00 18.53 H new ATOM 10 N HIS A 2 7.200 -8.714 -25.737 1.00 17.81 N ATOM 11 CA HIS A 2 7.730 -7.461 -25.222 1.00 17.49 C ATOM 12 C HIS A 2 8.626 -7.704 -24.028 1.00 16.98 C ATOM 13 O HIS A 2 8.346 -8.571 -23.177 1.00 17.17 O ATOM 14 CB HIS A 2 6.623 -6.446 -24.871 1.00 17.97 C ATOM 15 CG HIS A 2 5.881 -5.878 -26.051 1.00 18.64 C ATOM 16 ND1 HIS A 2 5.985 -4.559 -26.439 1.00 19.07 N ATOM 17 CD2 HIS A 2 4.992 -6.440 -26.903 1.00 19.08 C ATOM 18 CE1 HIS A 2 5.199 -4.341 -27.468 1.00 19.72 C ATOM 19 NE2 HIS A 2 4.589 -5.462 -27.767 1.00 19.74 N ATOM 0 H HIS A 2 6.265 -8.952 -25.404 1.00 17.81 H new ATOM 0 HA HIS A 2 8.322 -7.021 -26.024 1.00 17.49 H new ATOM 0 HB2 HIS A 2 5.905 -6.929 -24.208 1.00 17.97 H new ATOM 0 HB3 HIS A 2 7.069 -5.624 -24.312 1.00 17.97 H new ATOM 0 HD2 HIS A 2 4.663 -7.469 -26.900 1.00 19.08 H new ATOM 0 HE1 HIS A 2 5.076 -3.398 -27.981 1.00 19.72 H new ATOM 0 HE2 HIS A 2 3.919 -5.585 -28.526 1.00 19.74 H new ATOM 28 N HIS A 3 9.689 -6.947 -23.953 1.00 16.46 N ATOM 29 CA HIS A 3 10.645 -7.083 -22.881 1.00 16.07 C ATOM 30 C HIS A 3 10.293 -6.127 -21.768 1.00 15.28 C ATOM 31 O HIS A 3 9.604 -5.149 -22.006 1.00 15.31 O ATOM 32 CB HIS A 3 12.096 -6.847 -23.370 1.00 16.31 C ATOM 33 CG HIS A 3 12.571 -7.837 -24.412 1.00 16.79 C ATOM 34 ND1 HIS A 3 13.334 -8.952 -24.122 1.00 17.14 N ATOM 35 CD2 HIS A 3 12.394 -7.858 -25.753 1.00 17.13 C ATOM 36 CE1 HIS A 3 13.598 -9.603 -25.233 1.00 17.67 C ATOM 37 NE2 HIS A 3 13.037 -8.966 -26.232 1.00 17.67 N ATOM 0 H HIS A 3 9.918 -6.220 -24.631 1.00 16.46 H new ATOM 0 HA HIS A 3 10.598 -8.106 -22.508 1.00 16.07 H new ATOM 0 HB2 HIS A 3 12.169 -5.841 -23.782 1.00 16.31 H new ATOM 0 HB3 HIS A 3 12.767 -6.890 -22.512 1.00 16.31 H new ATOM 0 HD2 HIS A 3 11.846 -7.134 -26.337 1.00 17.13 H new ATOM 0 HE1 HIS A 3 14.179 -10.510 -25.310 1.00 17.67 H new ATOM 0 HE2 HIS A 3 13.074 -9.251 -27.211 1.00 17.67 H new ATOM 46 N HIS A 4 10.772 -6.431 -20.557 1.00 14.74 N ATOM 47 CA HIS A 4 10.524 -5.626 -19.337 1.00 14.10 C ATOM 48 C HIS A 4 9.051 -5.711 -18.937 1.00 13.70 C ATOM 49 O HIS A 4 8.250 -4.870 -19.309 1.00 14.01 O ATOM 50 CB HIS A 4 10.900 -4.124 -19.508 1.00 13.88 C ATOM 51 CG HIS A 4 12.277 -3.851 -20.032 1.00 13.85 C ATOM 52 ND1 HIS A 4 12.494 -3.167 -21.203 1.00 14.10 N ATOM 53 CD2 HIS A 4 13.504 -4.171 -19.559 1.00 13.80 C ATOM 54 CE1 HIS A 4 13.779 -3.074 -21.429 1.00 14.18 C ATOM 55 NE2 HIS A 4 14.418 -3.673 -20.453 1.00 14.00 N ATOM 0 H HIS A 4 11.352 -7.253 -20.385 1.00 14.74 H new ATOM 0 HA HIS A 4 11.164 -6.048 -18.563 1.00 14.10 H new ATOM 0 HB2 HIS A 4 10.178 -3.663 -20.181 1.00 13.88 H new ATOM 0 HB3 HIS A 4 10.795 -3.631 -18.542 1.00 13.88 H new ATOM 0 HD2 HIS A 4 13.722 -4.714 -18.651 1.00 13.80 H new ATOM 0 HE1 HIS A 4 14.237 -2.586 -22.277 1.00 14.18 H new ATOM 0 HE2 HIS A 4 15.431 -3.755 -20.372 1.00 14.00 H new ATOM 64 N HIS A 5 8.681 -6.749 -18.222 1.00 13.18 N ATOM 65 CA HIS A 5 7.295 -6.885 -17.815 1.00 12.93 C ATOM 66 C HIS A 5 7.177 -7.507 -16.444 1.00 12.32 C ATOM 67 O HIS A 5 7.729 -8.555 -16.213 1.00 12.40 O ATOM 68 CB HIS A 5 6.434 -7.643 -18.877 1.00 13.06 C ATOM 69 CG HIS A 5 6.849 -9.070 -19.195 1.00 13.43 C ATOM 70 ND1 HIS A 5 7.519 -9.436 -20.352 1.00 13.64 N ATOM 71 CD2 HIS A 5 6.664 -10.221 -18.503 1.00 13.81 C ATOM 72 CE1 HIS A 5 7.703 -10.746 -20.346 1.00 14.12 C ATOM 73 NE2 HIS A 5 7.199 -11.232 -19.233 1.00 14.24 N ATOM 0 H HIS A 5 9.302 -7.498 -17.914 1.00 13.18 H new ATOM 0 HA HIS A 5 6.885 -5.877 -17.750 1.00 12.93 H new ATOM 0 HB2 HIS A 5 5.401 -7.658 -18.531 1.00 13.06 H new ATOM 0 HB3 HIS A 5 6.452 -7.068 -19.803 1.00 13.06 H new ATOM 0 HD1 HIS A 5 7.821 -8.798 -21.089 1.00 13.64 H new ATOM 0 HD2 HIS A 5 6.178 -10.316 -17.543 1.00 13.81 H new ATOM 0 HE1 HIS A 5 8.186 -11.319 -21.124 1.00 14.12 H new ATOM 82 N HIS A 6 6.527 -6.761 -15.530 1.00 11.88 N ATOM 83 CA HIS A 6 6.150 -7.213 -14.147 1.00 11.42 C ATOM 84 C HIS A 6 7.174 -8.160 -13.458 1.00 10.42 C ATOM 85 O HIS A 6 7.116 -9.369 -13.616 1.00 10.22 O ATOM 86 CB HIS A 6 4.720 -7.843 -14.103 1.00 11.97 C ATOM 87 CG HIS A 6 3.592 -6.921 -14.511 1.00 12.55 C ATOM 88 ND1 HIS A 6 2.640 -7.265 -15.459 1.00 12.82 N ATOM 89 CD2 HIS A 6 3.243 -5.681 -14.067 1.00 13.11 C ATOM 90 CE1 HIS A 6 1.769 -6.275 -15.585 1.00 13.49 C ATOM 91 NE2 HIS A 6 2.110 -5.307 -14.756 1.00 13.67 N ATOM 0 H HIS A 6 6.236 -5.803 -15.722 1.00 11.88 H new ATOM 0 HA HIS A 6 6.157 -6.291 -13.565 1.00 11.42 H new ATOM 0 HB2 HIS A 6 4.706 -8.717 -14.755 1.00 11.97 H new ATOM 0 HB3 HIS A 6 4.529 -8.198 -13.090 1.00 11.97 H new ATOM 0 HD2 HIS A 6 3.758 -5.100 -13.316 1.00 13.11 H new ATOM 0 HE1 HIS A 6 0.922 -6.262 -16.254 1.00 13.49 H new ATOM 0 HE2 HIS A 6 1.614 -4.423 -14.643 1.00 13.67 H new ATOM 100 N HIS A 7 8.095 -7.607 -12.701 1.00 9.98 N ATOM 101 CA HIS A 7 9.088 -8.438 -12.025 1.00 9.18 C ATOM 102 C HIS A 7 8.829 -8.563 -10.552 1.00 9.04 C ATOM 103 O HIS A 7 8.217 -7.699 -9.946 1.00 9.71 O ATOM 104 CB HIS A 7 10.532 -7.960 -12.248 1.00 9.12 C ATOM 105 CG HIS A 7 11.113 -8.283 -13.593 1.00 9.44 C ATOM 106 ND1 HIS A 7 12.090 -9.240 -13.768 1.00 9.56 N ATOM 107 CD2 HIS A 7 10.890 -7.754 -14.821 1.00 9.92 C ATOM 108 CE1 HIS A 7 12.442 -9.284 -15.029 1.00 10.08 C ATOM 109 NE2 HIS A 7 11.730 -8.395 -15.695 1.00 10.30 N ATOM 0 H HIS A 7 8.184 -6.605 -12.534 1.00 9.98 H new ATOM 0 HA HIS A 7 8.981 -9.420 -12.486 1.00 9.18 H new ATOM 0 HB2 HIS A 7 10.566 -6.880 -12.106 1.00 9.12 H new ATOM 0 HB3 HIS A 7 11.167 -8.403 -11.480 1.00 9.12 H new ATOM 0 HD2 HIS A 7 10.184 -6.974 -15.065 1.00 9.92 H new ATOM 0 HE1 HIS A 7 13.190 -9.938 -15.452 1.00 10.08 H new ATOM 0 HE2 HIS A 7 11.794 -8.214 -16.697 1.00 10.30 H new ATOM 118 N LEU A 8 9.283 -9.671 -10.006 1.00 8.37 N ATOM 119 CA LEU A 8 9.252 -9.970 -8.590 1.00 8.37 C ATOM 120 C LEU A 8 10.673 -10.280 -8.126 1.00 8.86 C ATOM 121 O LEU A 8 10.919 -10.594 -6.973 1.00 9.23 O ATOM 122 CB LEU A 8 8.260 -11.135 -8.296 1.00 9.01 C ATOM 123 CG LEU A 8 8.391 -12.455 -9.109 1.00 9.38 C ATOM 124 CD1 LEU A 8 9.637 -13.249 -8.766 1.00 9.11 C ATOM 125 CD2 LEU A 8 7.138 -13.306 -8.943 1.00 10.10 C ATOM 0 H LEU A 8 9.701 -10.419 -10.559 1.00 8.37 H new ATOM 0 HA LEU A 8 8.887 -9.110 -8.029 1.00 8.37 H new ATOM 0 HB2 LEU A 8 8.352 -11.388 -7.240 1.00 9.01 H new ATOM 0 HB3 LEU A 8 7.250 -10.754 -8.446 1.00 9.01 H new ATOM 0 HG LEU A 8 8.495 -12.170 -10.156 1.00 9.38 H new ATOM 0 HD11 LEU A 8 9.667 -14.157 -9.368 1.00 9.11 H new ATOM 0 HD12 LEU A 8 10.521 -12.646 -8.974 1.00 9.11 H new ATOM 0 HD13 LEU A 8 9.620 -13.515 -7.709 1.00 9.11 H new ATOM 0 HD21 LEU A 8 7.244 -14.226 -9.518 1.00 10.10 H new ATOM 0 HD22 LEU A 8 7.001 -13.550 -7.890 1.00 10.10 H new ATOM 0 HD23 LEU A 8 6.271 -12.752 -9.303 1.00 10.10 H new ATOM 137 N GLU A 9 11.584 -10.165 -9.066 1.00 9.12 N ATOM 138 CA GLU A 9 12.971 -10.430 -8.847 1.00 9.86 C ATOM 139 C GLU A 9 13.659 -9.081 -8.983 1.00 9.89 C ATOM 140 O GLU A 9 13.405 -8.348 -9.960 1.00 10.56 O ATOM 141 CB GLU A 9 13.450 -11.438 -9.930 1.00 10.56 C ATOM 142 CG GLU A 9 14.850 -12.073 -9.737 1.00 11.13 C ATOM 143 CD GLU A 9 16.014 -11.096 -9.782 1.00 11.53 C ATOM 144 OE1 GLU A 9 16.342 -10.593 -10.885 1.00 11.87 O ATOM 145 OE2 GLU A 9 16.611 -10.829 -8.713 1.00 11.70 O ATOM 0 H GLU A 9 11.367 -9.878 -10.021 1.00 9.12 H new ATOM 0 HA GLU A 9 13.189 -10.870 -7.874 1.00 9.86 H new ATOM 0 HB2 GLU A 9 12.719 -12.244 -9.988 1.00 10.56 H new ATOM 0 HB3 GLU A 9 13.440 -10.929 -10.894 1.00 10.56 H new ATOM 0 HG2 GLU A 9 14.868 -12.591 -8.778 1.00 11.13 H new ATOM 0 HG3 GLU A 9 14.999 -12.827 -10.510 1.00 11.13 H new ATOM 152 N GLY A 10 14.471 -8.739 -8.012 1.00 9.36 N ATOM 153 CA GLY A 10 15.123 -7.465 -8.013 1.00 9.60 C ATOM 154 C GLY A 10 14.519 -6.531 -6.987 1.00 8.87 C ATOM 155 O GLY A 10 13.288 -6.467 -6.832 1.00 9.04 O ATOM 0 H GLY A 10 14.692 -9.331 -7.212 1.00 9.36 H new ATOM 0 HA2 GLY A 10 16.185 -7.598 -7.804 1.00 9.60 H new ATOM 0 HA3 GLY A 10 15.047 -7.017 -9.004 1.00 9.60 H new ATOM 159 N GLY A 11 15.363 -5.810 -6.298 1.00 8.30 N ATOM 160 CA GLY A 11 14.915 -4.886 -5.295 1.00 7.80 C ATOM 161 C GLY A 11 15.931 -3.805 -5.108 1.00 8.13 C ATOM 162 O GLY A 11 17.032 -3.906 -5.650 1.00 8.45 O ATOM 0 H GLY A 11 16.375 -5.847 -6.417 1.00 8.30 H new ATOM 0 HA2 GLY A 11 13.959 -4.452 -5.589 1.00 7.80 H new ATOM 0 HA3 GLY A 11 14.751 -5.410 -4.353 1.00 7.80 H new ATOM 166 N GLY A 12 15.578 -2.777 -4.362 1.00 8.34 N ATOM 167 CA GLY A 12 16.503 -1.675 -4.127 1.00 8.95 C ATOM 168 C GLY A 12 16.068 -0.422 -4.831 1.00 8.79 C ATOM 169 O GLY A 12 16.651 0.639 -4.637 1.00 9.24 O ATOM 0 H GLY A 12 14.669 -2.677 -3.911 1.00 8.34 H new ATOM 0 HA2 GLY A 12 16.576 -1.484 -3.056 1.00 8.95 H new ATOM 0 HA3 GLY A 12 17.499 -1.957 -4.469 1.00 8.95 H new ATOM 173 N ASN A 13 15.035 -0.564 -5.662 1.00 8.39 N ATOM 174 CA ASN A 13 14.433 0.539 -6.434 1.00 8.53 C ATOM 175 C ASN A 13 15.350 1.017 -7.563 1.00 9.29 C ATOM 176 O ASN A 13 16.463 0.532 -7.729 1.00 9.68 O ATOM 177 CB ASN A 13 13.974 1.731 -5.538 1.00 8.84 C ATOM 178 CG ASN A 13 12.851 1.369 -4.581 1.00 9.25 C ATOM 179 OD1 ASN A 13 12.021 0.509 -4.864 1.00 9.50 O ATOM 180 ND2 ASN A 13 12.822 2.018 -3.442 1.00 9.58 N ATOM 0 H ASN A 13 14.580 -1.462 -5.825 1.00 8.39 H new ATOM 0 HA ASN A 13 13.533 0.125 -6.889 1.00 8.53 H new ATOM 0 HB2 ASN A 13 14.827 2.094 -4.965 1.00 8.84 H new ATOM 0 HB3 ASN A 13 13.647 2.551 -6.177 1.00 8.84 H new ATOM 0 HD21 ASN A 13 12.094 1.815 -2.758 1.00 9.58 H new ATOM 0 HD22 ASN A 13 13.528 2.726 -3.240 1.00 9.58 H new ATOM 187 N ALA A 14 14.848 1.928 -8.360 1.00 9.70 N ATOM 188 CA ALA A 14 15.596 2.497 -9.472 1.00 10.58 C ATOM 189 C ALA A 14 15.166 3.942 -9.678 1.00 11.08 C ATOM 190 O ALA A 14 15.265 4.491 -10.779 1.00 11.12 O ATOM 191 CB ALA A 14 15.335 1.684 -10.739 1.00 10.70 C ATOM 0 H ALA A 14 13.904 2.303 -8.261 1.00 9.70 H new ATOM 0 HA ALA A 14 16.663 2.468 -9.250 1.00 10.58 H new ATOM 0 HB1 ALA A 14 15.897 2.113 -11.569 1.00 10.70 H new ATOM 0 HB2 ALA A 14 15.651 0.653 -10.581 1.00 10.70 H new ATOM 0 HB3 ALA A 14 14.270 1.705 -10.972 1.00 10.70 H new ATOM 197 N GLN A 15 14.701 4.555 -8.580 1.00 11.67 N ATOM 198 CA GLN A 15 14.208 5.946 -8.529 1.00 12.40 C ATOM 199 C GLN A 15 12.868 6.088 -9.248 1.00 12.25 C ATOM 200 O GLN A 15 11.847 6.362 -8.632 1.00 12.05 O ATOM 201 CB GLN A 15 15.249 6.960 -9.063 1.00 13.27 C ATOM 202 CG GLN A 15 16.598 6.902 -8.349 1.00 13.75 C ATOM 203 CD GLN A 15 16.493 7.102 -6.844 1.00 14.68 C ATOM 204 OE1 GLN A 15 16.338 6.149 -6.102 1.00 15.07 O ATOM 205 NE2 GLN A 15 16.581 8.328 -6.396 1.00 15.18 N ATOM 0 H GLN A 15 14.655 4.087 -7.675 1.00 11.67 H new ATOM 0 HA GLN A 15 14.049 6.186 -7.478 1.00 12.40 H new ATOM 0 HB2 GLN A 15 15.405 6.779 -10.127 1.00 13.27 H new ATOM 0 HB3 GLN A 15 14.842 7.967 -8.967 1.00 13.27 H new ATOM 0 HG2 GLN A 15 17.065 5.938 -8.548 1.00 13.75 H new ATOM 0 HG3 GLN A 15 17.254 7.666 -8.765 1.00 13.75 H new ATOM 0 HE21 GLN A 15 16.711 9.101 -7.048 1.00 15.18 H new ATOM 0 HE22 GLN A 15 16.520 8.511 -5.394 1.00 15.18 H new ATOM 214 N LYS A 16 12.867 5.860 -10.540 1.00 12.53 N ATOM 215 CA LYS A 16 11.660 5.938 -11.352 1.00 12.66 C ATOM 216 C LYS A 16 10.962 4.586 -11.382 1.00 11.86 C ATOM 217 O LYS A 16 10.135 4.307 -12.241 1.00 12.01 O ATOM 218 CB LYS A 16 12.042 6.371 -12.758 1.00 12.80 C ATOM 219 CG LYS A 16 12.676 7.755 -12.813 1.00 13.55 C ATOM 220 CD LYS A 16 13.200 8.141 -14.211 1.00 14.34 C ATOM 221 CE LYS A 16 12.111 8.272 -15.303 1.00 15.06 C ATOM 222 NZ LYS A 16 11.496 6.975 -15.727 1.00 15.42 N ATOM 0 H LYS A 16 13.705 5.613 -11.067 1.00 12.53 H new ATOM 0 HA LYS A 16 10.972 6.666 -10.923 1.00 12.66 H new ATOM 0 HB2 LYS A 16 12.737 5.644 -13.178 1.00 12.80 H new ATOM 0 HB3 LYS A 16 11.152 6.362 -13.388 1.00 12.80 H new ATOM 0 HG2 LYS A 16 11.942 8.494 -12.493 1.00 13.55 H new ATOM 0 HG3 LYS A 16 13.501 7.796 -12.101 1.00 13.55 H new ATOM 0 HD2 LYS A 16 13.732 9.089 -14.134 1.00 14.34 H new ATOM 0 HD3 LYS A 16 13.926 7.393 -14.530 1.00 14.34 H new ATOM 0 HE2 LYS A 16 11.323 8.930 -14.935 1.00 15.06 H new ATOM 0 HE3 LYS A 16 12.548 8.755 -16.177 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 11.416 6.951 -16.764 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 12.094 6.186 -15.408 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 10.550 6.885 -15.305 1.00 15.42 H new ATOM 236 N SER A 17 11.263 3.787 -10.393 1.00 11.21 N ATOM 237 CA SER A 17 10.760 2.456 -10.248 1.00 10.50 C ATOM 238 C SER A 17 9.312 2.399 -9.766 1.00 10.66 C ATOM 239 O SER A 17 8.727 1.311 -9.711 1.00 10.17 O ATOM 240 CB SER A 17 11.681 1.706 -9.310 1.00 10.42 C ATOM 241 OG SER A 17 12.053 2.524 -8.199 1.00 10.72 O ATOM 0 H SER A 17 11.891 4.062 -9.638 1.00 11.21 H new ATOM 0 HA SER A 17 10.746 1.987 -11.232 1.00 10.50 H new ATOM 0 HB2 SER A 17 11.186 0.803 -8.952 1.00 10.42 H new ATOM 0 HB3 SER A 17 12.574 1.388 -9.848 1.00 10.42 H new ATOM 0 HG SER A 17 11.904 2.031 -7.365 1.00 10.72 H new ATOM 247 N ALA A 18 8.737 3.572 -9.475 1.00 11.52 N ATOM 248 CA ALA A 18 7.377 3.721 -8.925 1.00 11.99 C ATOM 249 C ALA A 18 6.338 2.841 -9.636 1.00 11.45 C ATOM 250 O ALA A 18 5.549 2.153 -8.990 1.00 11.42 O ATOM 251 CB ALA A 18 6.958 5.195 -8.974 1.00 13.14 C ATOM 0 H ALA A 18 9.211 4.464 -9.617 1.00 11.52 H new ATOM 0 HA ALA A 18 7.410 3.378 -7.891 1.00 11.99 H new ATOM 0 HB1 ALA A 18 5.953 5.301 -8.567 1.00 13.14 H new ATOM 0 HB2 ALA A 18 7.654 5.791 -8.383 1.00 13.14 H new ATOM 0 HB3 ALA A 18 6.970 5.542 -10.007 1.00 13.14 H new ATOM 257 N MET A 19 6.327 2.859 -10.954 1.00 11.20 N ATOM 258 CA MET A 19 5.381 2.030 -11.694 1.00 10.90 C ATOM 259 C MET A 19 6.113 1.088 -12.621 1.00 9.99 C ATOM 260 O MET A 19 5.504 0.329 -13.371 1.00 9.63 O ATOM 261 CB MET A 19 4.368 2.881 -12.472 1.00 11.94 C ATOM 262 CG MET A 19 3.469 3.745 -11.595 1.00 12.49 C ATOM 263 SD MET A 19 2.322 4.768 -12.549 1.00 13.40 S ATOM 264 CE MET A 19 1.361 3.519 -13.414 1.00 14.08 C ATOM 0 H MET A 19 6.948 3.426 -11.531 1.00 11.20 H new ATOM 0 HA MET A 19 4.822 1.440 -10.968 1.00 10.90 H new ATOM 0 HB2 MET A 19 4.909 3.526 -13.164 1.00 11.94 H new ATOM 0 HB3 MET A 19 3.743 2.221 -13.074 1.00 11.94 H new ATOM 0 HG2 MET A 19 2.901 3.102 -10.923 1.00 12.49 H new ATOM 0 HG3 MET A 19 4.089 4.389 -10.972 1.00 12.49 H new ATOM 0 HE1 MET A 19 0.442 3.965 -13.794 1.00 14.08 H new ATOM 0 HE2 MET A 19 1.943 3.124 -14.246 1.00 14.08 H new ATOM 0 HE3 MET A 19 1.114 2.709 -12.727 1.00 14.08 H new ATOM 274 N ALA A 20 7.429 1.119 -12.544 1.00 9.77 N ATOM 275 CA ALA A 20 8.253 0.275 -13.380 1.00 9.13 C ATOM 276 C ALA A 20 8.452 -1.084 -12.718 1.00 8.17 C ATOM 277 O ALA A 20 8.751 -2.084 -13.382 1.00 7.84 O ATOM 278 CB ALA A 20 9.592 0.943 -13.654 1.00 9.45 C ATOM 0 H ALA A 20 7.950 1.723 -11.908 1.00 9.77 H new ATOM 0 HA ALA A 20 7.748 0.124 -14.334 1.00 9.13 H new ATOM 0 HB1 ALA A 20 10.200 0.294 -14.285 1.00 9.45 H new ATOM 0 HB2 ALA A 20 9.427 1.893 -14.163 1.00 9.45 H new ATOM 0 HB3 ALA A 20 10.109 1.121 -12.711 1.00 9.45 H new ATOM 284 N ARG A 21 8.316 -1.119 -11.400 1.00 7.98 N ATOM 285 CA ARG A 21 8.453 -2.353 -10.651 1.00 7.29 C ATOM 286 C ARG A 21 7.097 -2.895 -10.282 1.00 7.26 C ATOM 287 O ARG A 21 6.747 -4.015 -10.697 1.00 7.10 O ATOM 288 CB ARG A 21 9.314 -2.154 -9.396 1.00 7.43 C ATOM 289 CG ARG A 21 10.764 -1.670 -9.629 1.00 8.11 C ATOM 290 CD ARG A 21 11.609 -2.575 -10.554 1.00 8.51 C ATOM 291 NE ARG A 21 11.180 -2.519 -11.968 1.00 8.99 N ATOM 292 CZ ARG A 21 11.984 -2.481 -13.053 1.00 9.65 C ATOM 293 NH1 ARG A 21 13.307 -2.527 -12.920 1.00 9.90 N ATOM 294 NH2 ARG A 21 11.443 -2.389 -14.268 1.00 10.29 N ATOM 0 H ARG A 21 8.110 -0.300 -10.828 1.00 7.98 H new ATOM 0 HA ARG A 21 8.959 -3.078 -11.288 1.00 7.29 H new ATOM 0 HB2 ARG A 21 8.813 -1.434 -8.748 1.00 7.43 H new ATOM 0 HB3 ARG A 21 9.352 -3.099 -8.854 1.00 7.43 H new ATOM 0 HG2 ARG A 21 10.733 -0.667 -10.055 1.00 8.11 H new ATOM 0 HG3 ARG A 21 11.265 -1.592 -8.664 1.00 8.11 H new ATOM 0 HD2 ARG A 21 12.656 -2.278 -10.486 1.00 8.51 H new ATOM 0 HD3 ARG A 21 11.546 -3.605 -10.202 1.00 8.51 H new ATOM 0 HE ARG A 21 10.175 -2.508 -12.142 1.00 8.99 H new ATOM 0 HH11 ARG A 21 13.724 -2.592 -11.992 1.00 9.90 H new ATOM 0 HH12 ARG A 21 13.904 -2.498 -13.747 1.00 9.90 H new ATOM 0 HH21 ARG A 21 10.429 -2.348 -14.373 1.00 10.29 H new ATOM 0 HH22 ARG A 21 12.043 -2.360 -15.092 1.00 10.29 H new ATOM 308 N ALA A 22 6.334 -2.087 -9.514 1.00 7.72 N ATOM 309 CA ALA A 22 4.963 -2.416 -9.030 1.00 8.05 C ATOM 310 C ALA A 22 4.927 -3.572 -8.003 1.00 7.56 C ATOM 311 O ALA A 22 4.353 -3.433 -6.921 1.00 7.73 O ATOM 312 CB ALA A 22 4.000 -2.678 -10.192 1.00 9.15 C ATOM 0 H ALA A 22 6.654 -1.169 -9.204 1.00 7.72 H new ATOM 0 HA ALA A 22 4.622 -1.529 -8.497 1.00 8.05 H new ATOM 0 HB1 ALA A 22 3.011 -2.914 -9.799 1.00 9.15 H new ATOM 0 HB2 ALA A 22 3.938 -1.790 -10.820 1.00 9.15 H new ATOM 0 HB3 ALA A 22 4.365 -3.517 -10.785 1.00 9.15 H new ATOM 318 N LYS A 23 5.489 -4.703 -8.372 1.00 7.27 N ATOM 319 CA LYS A 23 5.518 -5.849 -7.548 1.00 7.12 C ATOM 320 C LYS A 23 6.872 -5.948 -6.824 1.00 6.46 C ATOM 321 O LYS A 23 6.947 -5.688 -5.626 1.00 6.78 O ATOM 322 CB LYS A 23 5.309 -7.063 -8.435 1.00 8.04 C ATOM 323 CG LYS A 23 5.110 -8.328 -7.680 1.00 8.77 C ATOM 324 CD LYS A 23 5.048 -9.542 -8.598 1.00 9.62 C ATOM 325 CE LYS A 23 3.886 -9.505 -9.576 1.00 10.49 C ATOM 326 NZ LYS A 23 2.559 -9.591 -8.920 1.00 11.12 N ATOM 0 H LYS A 23 5.943 -4.834 -9.276 1.00 7.27 H new ATOM 0 HA LYS A 23 4.735 -5.792 -6.792 1.00 7.12 H new ATOM 0 HB2 LYS A 23 4.442 -6.891 -9.073 1.00 8.04 H new ATOM 0 HB3 LYS A 23 6.171 -7.174 -9.092 1.00 8.04 H new ATOM 0 HG2 LYS A 23 5.924 -8.455 -6.967 1.00 8.77 H new ATOM 0 HG3 LYS A 23 4.188 -8.263 -7.103 1.00 8.77 H new ATOM 0 HD2 LYS A 23 5.981 -9.612 -9.157 1.00 9.62 H new ATOM 0 HD3 LYS A 23 4.972 -10.444 -7.990 1.00 9.62 H new ATOM 0 HE2 LYS A 23 3.937 -8.583 -10.155 1.00 10.49 H new ATOM 0 HE3 LYS A 23 3.988 -10.330 -10.281 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 1.812 -9.578 -9.644 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 2.498 -10.475 -8.376 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 2.435 -8.781 -8.280 1.00 11.12 H new ATOM 340 N ASN A 24 7.917 -6.314 -7.610 1.00 5.86 N ATOM 341 CA ASN A 24 9.343 -6.467 -7.189 1.00 5.58 C ATOM 342 C ASN A 24 9.551 -7.277 -5.910 1.00 5.25 C ATOM 343 O ASN A 24 8.633 -7.913 -5.386 1.00 5.71 O ATOM 344 CB ASN A 24 10.133 -5.117 -7.155 1.00 5.59 C ATOM 345 CG ASN A 24 9.604 -4.073 -6.169 1.00 6.03 C ATOM 346 OD1 ASN A 24 8.773 -3.248 -6.520 1.00 6.46 O ATOM 347 ND2 ASN A 24 10.092 -4.100 -4.938 1.00 6.29 N ATOM 0 H ASN A 24 7.788 -6.521 -8.600 1.00 5.86 H new ATOM 0 HA ASN A 24 9.776 -7.069 -7.988 1.00 5.58 H new ATOM 0 HB2 ASN A 24 11.173 -5.330 -6.909 1.00 5.59 H new ATOM 0 HB3 ASN A 24 10.124 -4.685 -8.156 1.00 5.59 H new ATOM 0 HD21 ASN A 24 9.775 -3.418 -4.249 1.00 6.29 H new ATOM 0 HD22 ASN A 24 10.785 -4.803 -4.679 1.00 6.29 H new ATOM 354 N LEU A 25 10.797 -7.319 -5.465 1.00 4.87 N ATOM 355 CA LEU A 25 11.141 -8.000 -4.245 1.00 4.97 C ATOM 356 C LEU A 25 11.048 -7.025 -3.079 1.00 4.70 C ATOM 357 O LEU A 25 11.638 -5.927 -3.112 1.00 4.86 O ATOM 358 CB LEU A 25 12.548 -8.608 -4.341 1.00 5.36 C ATOM 359 CG LEU A 25 13.065 -9.369 -3.107 1.00 6.04 C ATOM 360 CD1 LEU A 25 12.185 -10.570 -2.783 1.00 6.81 C ATOM 361 CD2 LEU A 25 14.511 -9.799 -3.316 1.00 6.58 C ATOM 0 H LEU A 25 11.587 -6.883 -5.941 1.00 4.87 H new ATOM 0 HA LEU A 25 10.439 -8.818 -4.080 1.00 4.97 H new ATOM 0 HB2 LEU A 25 12.565 -9.290 -5.191 1.00 5.36 H new ATOM 0 HB3 LEU A 25 13.250 -7.804 -4.562 1.00 5.36 H new ATOM 0 HG LEU A 25 13.023 -8.692 -2.254 1.00 6.04 H new ATOM 0 HD11 LEU A 25 12.579 -11.084 -1.906 1.00 6.81 H new ATOM 0 HD12 LEU A 25 11.169 -10.232 -2.579 1.00 6.81 H new ATOM 0 HD13 LEU A 25 12.176 -11.254 -3.631 1.00 6.81 H new ATOM 0 HD21 LEU A 25 14.862 -10.336 -2.435 1.00 6.58 H new ATOM 0 HD22 LEU A 25 14.574 -10.451 -4.187 1.00 6.58 H new ATOM 0 HD23 LEU A 25 15.133 -8.918 -3.476 1.00 6.58 H new ATOM 373 N GLU A 26 10.305 -7.420 -2.077 1.00 4.76 N ATOM 374 CA GLU A 26 10.071 -6.622 -0.890 1.00 4.96 C ATOM 375 C GLU A 26 11.128 -6.907 0.170 1.00 4.83 C ATOM 376 O GLU A 26 11.731 -7.994 0.188 1.00 4.95 O ATOM 377 CB GLU A 26 8.697 -6.965 -0.326 1.00 5.70 C ATOM 378 CG GLU A 26 8.552 -8.449 -0.039 1.00 6.48 C ATOM 379 CD GLU A 26 7.258 -8.799 0.593 1.00 7.27 C ATOM 380 OE1 GLU A 26 7.140 -8.693 1.820 1.00 7.70 O ATOM 381 OE2 GLU A 26 6.332 -9.151 -0.135 1.00 7.68 O ATOM 0 H GLU A 26 9.833 -8.324 -2.059 1.00 4.76 H new ATOM 0 HA GLU A 26 10.122 -5.567 -1.160 1.00 4.96 H new ATOM 0 HB2 GLU A 26 8.531 -6.401 0.592 1.00 5.70 H new ATOM 0 HB3 GLU A 26 7.928 -6.656 -1.034 1.00 5.70 H new ATOM 0 HG2 GLU A 26 8.655 -9.004 -0.971 1.00 6.48 H new ATOM 0 HG3 GLU A 26 9.365 -8.767 0.613 1.00 6.48 H new ATOM 388 N LYS A 27 11.362 -5.947 1.049 1.00 5.08 N ATOM 389 CA LYS A 27 12.313 -6.142 2.128 1.00 5.48 C ATOM 390 C LYS A 27 11.597 -6.045 3.479 1.00 5.57 C ATOM 391 O LYS A 27 11.152 -7.048 4.040 1.00 6.04 O ATOM 392 CB LYS A 27 13.480 -5.127 2.044 1.00 6.20 C ATOM 393 CG LYS A 27 14.267 -5.180 0.728 1.00 6.72 C ATOM 394 CD LYS A 27 15.420 -4.147 0.639 1.00 7.40 C ATOM 395 CE LYS A 27 16.653 -4.475 1.521 1.00 8.14 C ATOM 396 NZ LYS A 27 16.385 -4.518 2.971 1.00 8.86 N ATOM 0 H LYS A 27 10.910 -5.033 1.037 1.00 5.08 H new ATOM 0 HA LYS A 27 12.744 -7.138 2.030 1.00 5.48 H new ATOM 0 HB2 LYS A 27 13.082 -4.121 2.176 1.00 6.20 H new ATOM 0 HB3 LYS A 27 14.165 -5.309 2.872 1.00 6.20 H new ATOM 0 HG2 LYS A 27 14.680 -6.181 0.604 1.00 6.72 H new ATOM 0 HG3 LYS A 27 13.579 -5.014 -0.101 1.00 6.72 H new ATOM 0 HD2 LYS A 27 15.743 -4.072 -0.399 1.00 7.40 H new ATOM 0 HD3 LYS A 27 15.036 -3.168 0.925 1.00 7.40 H new ATOM 0 HE2 LYS A 27 17.056 -5.439 1.212 1.00 8.14 H new ATOM 0 HE3 LYS A 27 17.426 -3.730 1.331 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 17.230 -4.204 3.490 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 15.587 -3.889 3.195 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 16.148 -5.491 3.252 1.00 8.86 H new ATOM 410 N ALA A 28 11.422 -4.837 3.951 1.00 5.50 N ATOM 411 CA ALA A 28 10.768 -4.615 5.207 1.00 5.97 C ATOM 412 C ALA A 28 9.364 -4.107 4.951 1.00 6.23 C ATOM 413 O ALA A 28 8.999 -3.823 3.811 1.00 6.48 O ATOM 414 CB ALA A 28 11.552 -3.630 6.056 1.00 6.27 C ATOM 0 H ALA A 28 11.728 -3.988 3.476 1.00 5.50 H new ATOM 0 HA ALA A 28 10.716 -5.554 5.758 1.00 5.97 H new ATOM 0 HB1 ALA A 28 11.037 -3.477 7.004 1.00 6.27 H new ATOM 0 HB2 ALA A 28 12.550 -4.026 6.245 1.00 6.27 H new ATOM 0 HB3 ALA A 28 11.633 -2.679 5.529 1.00 6.27 H new ATOM 420 N LYS A 29 8.582 -4.030 6.004 1.00 6.51 N ATOM 421 CA LYS A 29 7.221 -3.543 5.941 1.00 7.02 C ATOM 422 C LYS A 29 6.784 -3.098 7.315 1.00 6.93 C ATOM 423 O LYS A 29 7.185 -3.695 8.312 1.00 7.10 O ATOM 424 CB LYS A 29 6.218 -4.600 5.376 1.00 7.79 C ATOM 425 CG LYS A 29 6.165 -5.962 6.116 1.00 8.36 C ATOM 426 CD LYS A 29 7.381 -6.866 5.827 1.00 9.07 C ATOM 427 CE LYS A 29 7.423 -7.254 4.350 1.00 9.70 C ATOM 428 NZ LYS A 29 8.539 -8.184 4.003 1.00 10.01 N ATOM 0 H LYS A 29 8.876 -4.307 6.940 1.00 6.51 H new ATOM 0 HA LYS A 29 7.210 -2.702 5.247 1.00 7.02 H new ATOM 0 HB2 LYS A 29 5.219 -4.165 5.389 1.00 7.79 H new ATOM 0 HB3 LYS A 29 6.470 -4.787 4.332 1.00 7.79 H new ATOM 0 HG2 LYS A 29 6.103 -5.781 7.189 1.00 8.36 H new ATOM 0 HG3 LYS A 29 5.255 -6.488 5.828 1.00 8.36 H new ATOM 0 HD2 LYS A 29 8.300 -6.346 6.098 1.00 9.07 H new ATOM 0 HD3 LYS A 29 7.328 -7.764 6.443 1.00 9.07 H new ATOM 0 HE2 LYS A 29 6.476 -7.721 4.079 1.00 9.70 H new ATOM 0 HE3 LYS A 29 7.516 -6.350 3.749 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 8.364 -8.602 3.067 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 9.436 -7.658 3.986 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 8.594 -8.940 4.715 1.00 10.01 H new ATOM 442 N ALA A 30 5.991 -2.058 7.365 1.00 7.00 N ATOM 443 CA ALA A 30 5.486 -1.529 8.608 1.00 7.22 C ATOM 444 C ALA A 30 4.136 -0.873 8.366 1.00 7.17 C ATOM 445 O ALA A 30 3.757 -0.630 7.212 1.00 7.27 O ATOM 446 CB ALA A 30 6.468 -0.516 9.194 1.00 7.43 C ATOM 0 H ALA A 30 5.675 -1.550 6.539 1.00 7.00 H new ATOM 0 HA ALA A 30 5.368 -2.344 9.322 1.00 7.22 H new ATOM 0 HB1 ALA A 30 6.072 -0.126 10.132 1.00 7.43 H new ATOM 0 HB2 ALA A 30 7.426 -1.003 9.379 1.00 7.43 H new ATOM 0 HB3 ALA A 30 6.608 0.304 8.490 1.00 7.43 H new ATOM 452 N ALA A 31 3.421 -0.614 9.430 1.00 7.30 N ATOM 453 CA ALA A 31 2.142 0.045 9.368 1.00 7.49 C ATOM 454 C ALA A 31 1.997 0.920 10.584 1.00 7.26 C ATOM 455 O ALA A 31 2.416 0.540 11.675 1.00 7.29 O ATOM 456 CB ALA A 31 1.019 -0.980 9.310 1.00 8.16 C ATOM 0 H ALA A 31 3.714 -0.858 10.376 1.00 7.30 H new ATOM 0 HA ALA A 31 2.082 0.655 8.467 1.00 7.49 H new ATOM 0 HB1 ALA A 31 0.059 -0.466 9.264 1.00 8.16 H new ATOM 0 HB2 ALA A 31 1.140 -1.603 8.424 1.00 8.16 H new ATOM 0 HB3 ALA A 31 1.052 -1.607 10.201 1.00 8.16 H new ATOM 462 N GLY A 32 1.448 2.088 10.398 1.00 7.31 N ATOM 463 CA GLY A 32 1.296 3.004 11.485 1.00 7.37 C ATOM 464 C GLY A 32 0.679 4.279 11.009 1.00 7.39 C ATOM 465 O GLY A 32 0.053 4.303 9.948 1.00 7.69 O ATOM 0 H GLY A 32 1.099 2.425 9.501 1.00 7.31 H new ATOM 0 HA2 GLY A 32 0.673 2.558 12.260 1.00 7.37 H new ATOM 0 HA3 GLY A 32 2.267 3.208 11.935 1.00 7.37 H new ATOM 469 N LYS A 33 0.865 5.341 11.767 1.00 7.33 N ATOM 470 CA LYS A 33 0.302 6.641 11.433 1.00 7.58 C ATOM 471 C LYS A 33 1.358 7.717 11.643 1.00 7.81 C ATOM 472 O LYS A 33 1.693 8.054 12.772 1.00 8.09 O ATOM 473 CB LYS A 33 -0.956 6.933 12.290 1.00 7.70 C ATOM 474 CG LYS A 33 -2.097 5.922 12.084 1.00 7.71 C ATOM 475 CD LYS A 33 -3.331 6.223 12.933 1.00 8.10 C ATOM 476 CE LYS A 33 -3.049 6.142 14.439 1.00 8.68 C ATOM 477 NZ LYS A 33 -2.567 4.801 14.855 1.00 8.86 N ATOM 0 H LYS A 33 1.408 5.331 12.630 1.00 7.33 H new ATOM 0 HA LYS A 33 -0.004 6.639 10.387 1.00 7.58 H new ATOM 0 HB2 LYS A 33 -0.674 6.938 13.343 1.00 7.70 H new ATOM 0 HB3 LYS A 33 -1.321 7.932 12.053 1.00 7.70 H new ATOM 0 HG2 LYS A 33 -2.381 5.915 11.032 1.00 7.71 H new ATOM 0 HG3 LYS A 33 -1.735 4.922 12.323 1.00 7.71 H new ATOM 0 HD2 LYS A 33 -3.700 7.220 12.690 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -4.123 5.519 12.678 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -2.304 6.892 14.707 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -3.958 6.385 14.989 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -2.537 4.750 15.893 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -3.213 4.072 14.491 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -1.613 4.641 14.472 1.00 8.86 H new ATOM 491 N GLY A 34 1.908 8.210 10.556 1.00 7.92 N ATOM 492 CA GLY A 34 2.938 9.214 10.633 1.00 8.28 C ATOM 493 C GLY A 34 2.914 10.134 9.438 1.00 8.23 C ATOM 494 O GLY A 34 3.140 9.697 8.303 1.00 8.16 O ATOM 0 H GLY A 34 1.657 7.930 9.608 1.00 7.92 H new ATOM 0 HA2 GLY A 34 2.809 9.798 11.544 1.00 8.28 H new ATOM 0 HA3 GLY A 34 3.913 8.731 10.700 1.00 8.28 H new ATOM 498 N SER A 35 2.614 11.378 9.677 1.00 8.52 N ATOM 499 CA SER A 35 2.558 12.407 8.654 1.00 8.67 C ATOM 500 C SER A 35 2.858 13.749 9.330 1.00 8.96 C ATOM 501 O SER A 35 2.956 13.802 10.562 1.00 9.53 O ATOM 502 CB SER A 35 1.157 12.428 8.013 1.00 8.87 C ATOM 503 OG SER A 35 0.830 11.158 7.468 1.00 8.86 O ATOM 0 H SER A 35 2.394 11.724 10.611 1.00 8.52 H new ATOM 0 HA SER A 35 3.286 12.212 7.867 1.00 8.67 H new ATOM 0 HB2 SER A 35 0.415 12.710 8.760 1.00 8.87 H new ATOM 0 HB3 SER A 35 1.123 13.184 7.229 1.00 8.87 H new ATOM 0 HG SER A 35 -0.064 11.194 7.068 1.00 8.86 H new ATOM 509 N GLN A 36 3.005 14.811 8.559 1.00 8.75 N ATOM 510 CA GLN A 36 3.294 16.114 9.130 1.00 9.17 C ATOM 511 C GLN A 36 2.822 17.196 8.202 1.00 8.70 C ATOM 512 O GLN A 36 3.039 17.111 6.989 1.00 8.58 O ATOM 513 CB GLN A 36 4.794 16.270 9.449 1.00 10.09 C ATOM 514 CG GLN A 36 5.721 16.054 8.259 1.00 10.66 C ATOM 515 CD GLN A 36 7.170 16.263 8.622 1.00 11.45 C ATOM 516 OE1 GLN A 36 7.862 15.338 9.033 1.00 11.91 O ATOM 517 NE2 GLN A 36 7.639 17.476 8.469 1.00 11.81 N ATOM 0 H GLN A 36 2.930 14.798 7.542 1.00 8.75 H new ATOM 0 HA GLN A 36 2.755 16.203 10.073 1.00 9.17 H new ATOM 0 HB2 GLN A 36 4.965 17.269 9.849 1.00 10.09 H new ATOM 0 HB3 GLN A 36 5.061 15.562 10.234 1.00 10.09 H new ATOM 0 HG2 GLN A 36 5.586 15.043 7.874 1.00 10.66 H new ATOM 0 HG3 GLN A 36 5.446 16.739 7.457 1.00 10.66 H new ATOM 0 HE21 GLN A 36 7.030 18.218 8.124 1.00 11.81 H new ATOM 0 HE22 GLN A 36 8.613 17.678 8.695 1.00 11.81 H new ATOM 526 N LEU A 37 2.147 18.198 8.777 1.00 8.63 N ATOM 527 CA LEU A 37 1.569 19.352 8.054 1.00 8.33 C ATOM 528 C LEU A 37 0.373 18.917 7.186 1.00 7.59 C ATOM 529 O LEU A 37 -0.749 19.379 7.382 1.00 7.53 O ATOM 530 CB LEU A 37 2.644 20.106 7.224 1.00 8.94 C ATOM 531 CG LEU A 37 2.180 21.374 6.495 1.00 9.62 C ATOM 532 CD1 LEU A 37 1.710 22.428 7.484 1.00 10.08 C ATOM 533 CD2 LEU A 37 3.292 21.924 5.612 1.00 9.94 C ATOM 0 H LEU A 37 1.980 18.236 9.782 1.00 8.63 H new ATOM 0 HA LEU A 37 1.195 20.056 8.797 1.00 8.33 H new ATOM 0 HB2 LEU A 37 3.463 20.376 7.891 1.00 8.94 H new ATOM 0 HB3 LEU A 37 3.050 19.416 6.484 1.00 8.94 H new ATOM 0 HG LEU A 37 1.336 21.108 5.858 1.00 9.62 H new ATOM 0 HD11 LEU A 37 1.386 23.317 6.942 1.00 10.08 H new ATOM 0 HD12 LEU A 37 0.877 22.035 8.066 1.00 10.08 H new ATOM 0 HD13 LEU A 37 2.529 22.690 8.154 1.00 10.08 H new ATOM 0 HD21 LEU A 37 2.942 22.823 5.104 1.00 9.94 H new ATOM 0 HD22 LEU A 37 4.158 22.168 6.227 1.00 9.94 H new ATOM 0 HD23 LEU A 37 3.573 21.175 4.872 1.00 9.94 H new ATOM 545 N GLU A 38 0.623 18.018 6.275 1.00 7.28 N ATOM 546 CA GLU A 38 -0.370 17.500 5.365 1.00 6.85 C ATOM 547 C GLU A 38 -1.097 16.310 5.999 1.00 6.29 C ATOM 548 O GLU A 38 -0.457 15.387 6.519 1.00 6.53 O ATOM 549 CB GLU A 38 0.314 17.088 4.061 1.00 7.02 C ATOM 550 CG GLU A 38 -0.606 16.539 2.984 1.00 7.23 C ATOM 551 CD GLU A 38 0.132 16.289 1.678 1.00 7.58 C ATOM 552 OE1 GLU A 38 0.795 15.237 1.560 1.00 7.86 O ATOM 553 OE2 GLU A 38 0.041 17.121 0.762 1.00 7.82 O ATOM 0 H GLU A 38 1.549 17.612 6.138 1.00 7.28 H new ATOM 0 HA GLU A 38 -1.111 18.270 5.150 1.00 6.85 H new ATOM 0 HB2 GLU A 38 0.840 17.953 3.658 1.00 7.02 H new ATOM 0 HB3 GLU A 38 1.068 16.334 4.289 1.00 7.02 H new ATOM 0 HG2 GLU A 38 -1.055 15.608 3.331 1.00 7.23 H new ATOM 0 HG3 GLU A 38 -1.421 17.241 2.811 1.00 7.23 H new ATOM 560 N ALA A 39 -2.426 16.365 5.989 1.00 5.86 N ATOM 561 CA ALA A 39 -3.275 15.307 6.527 1.00 5.57 C ATOM 562 C ALA A 39 -4.670 15.436 5.927 1.00 5.31 C ATOM 563 O ALA A 39 -5.385 16.399 6.210 1.00 5.56 O ATOM 564 CB ALA A 39 -3.365 15.415 8.047 1.00 5.92 C ATOM 0 H ALA A 39 -2.948 17.152 5.604 1.00 5.86 H new ATOM 0 HA ALA A 39 -2.844 14.339 6.270 1.00 5.57 H new ATOM 0 HB1 ALA A 39 -4.002 14.618 8.431 1.00 5.92 H new ATOM 0 HB2 ALA A 39 -2.368 15.322 8.478 1.00 5.92 H new ATOM 0 HB3 ALA A 39 -3.789 16.382 8.319 1.00 5.92 H new ATOM 570 N ASN A 40 -5.052 14.505 5.085 1.00 5.21 N ATOM 571 CA ASN A 40 -6.370 14.555 4.462 1.00 5.30 C ATOM 572 C ASN A 40 -7.303 13.473 5.009 1.00 4.90 C ATOM 573 O ASN A 40 -8.318 13.164 4.414 1.00 4.87 O ATOM 574 CB ASN A 40 -6.270 14.463 2.923 1.00 5.95 C ATOM 575 CG ASN A 40 -5.571 15.667 2.256 1.00 6.36 C ATOM 576 OD1 ASN A 40 -4.959 15.530 1.200 1.00 6.54 O ATOM 577 ND2 ASN A 40 -5.644 16.833 2.859 1.00 6.88 N ATOM 0 H ASN A 40 -4.480 13.706 4.812 1.00 5.21 H new ATOM 0 HA ASN A 40 -6.803 15.522 4.717 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -5.730 13.553 2.660 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -7.275 14.368 2.511 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -5.187 17.648 2.450 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -6.158 16.923 3.735 1.00 6.88 H new ATOM 584 N LYS A 41 -7.000 12.959 6.192 1.00 4.91 N ATOM 585 CA LYS A 41 -7.824 11.886 6.798 1.00 4.79 C ATOM 586 C LYS A 41 -9.108 12.430 7.437 1.00 5.11 C ATOM 587 O LYS A 41 -9.802 11.724 8.154 1.00 5.52 O ATOM 588 CB LYS A 41 -7.021 11.078 7.829 1.00 5.30 C ATOM 589 CG LYS A 41 -6.486 11.878 9.025 1.00 6.03 C ATOM 590 CD LYS A 41 -5.755 10.960 9.994 1.00 6.55 C ATOM 591 CE LYS A 41 -5.147 11.723 11.178 1.00 7.33 C ATOM 592 NZ LYS A 41 -6.165 12.386 12.058 1.00 7.95 N ATOM 0 H LYS A 41 -6.203 13.253 6.757 1.00 4.91 H new ATOM 0 HA LYS A 41 -8.114 11.223 5.983 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -7.653 10.273 8.206 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -6.178 10.610 7.321 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -5.811 12.659 8.675 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -7.311 12.374 9.537 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -6.448 10.206 10.368 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -4.964 10.431 9.462 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -4.556 11.032 11.779 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -4.462 12.480 10.797 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -5.682 12.881 12.835 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -6.714 13.070 11.499 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -6.805 11.667 12.451 1.00 7.95 H new ATOM 606 N LYS A 42 -9.434 13.666 7.131 1.00 5.29 N ATOM 607 CA LYS A 42 -10.616 14.325 7.670 1.00 6.01 C ATOM 608 C LYS A 42 -11.898 13.710 7.095 1.00 6.11 C ATOM 609 O LYS A 42 -12.972 13.837 7.665 1.00 6.74 O ATOM 610 CB LYS A 42 -10.555 15.827 7.365 1.00 6.24 C ATOM 611 CG LYS A 42 -9.386 16.567 8.018 1.00 6.53 C ATOM 612 CD LYS A 42 -9.500 16.609 9.552 1.00 7.13 C ATOM 613 CE LYS A 42 -10.749 17.370 10.009 1.00 7.68 C ATOM 614 NZ LYS A 42 -10.849 17.462 11.485 1.00 8.17 N ATOM 0 H LYS A 42 -8.888 14.250 6.498 1.00 5.29 H new ATOM 0 HA LYS A 42 -10.634 14.181 8.750 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -10.494 15.962 6.285 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -11.487 16.288 7.692 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -8.451 16.081 7.739 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -9.343 17.585 7.632 1.00 6.53 H new ATOM 0 HD2 LYS A 42 -9.531 15.592 9.942 1.00 7.13 H new ATOM 0 HD3 LYS A 42 -8.612 17.084 9.970 1.00 7.13 H new ATOM 0 HE2 LYS A 42 -10.734 18.374 9.586 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -11.637 16.873 9.618 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 -11.710 17.985 11.743 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 -10.891 16.505 11.890 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 -10.016 17.960 11.859 1.00 8.17 H new ATOM 628 N ALA A 43 -11.764 13.031 5.978 1.00 5.71 N ATOM 629 CA ALA A 43 -12.897 12.396 5.327 1.00 5.93 C ATOM 630 C ALA A 43 -13.077 10.937 5.794 1.00 5.58 C ATOM 631 O ALA A 43 -13.828 10.190 5.176 1.00 5.78 O ATOM 632 CB ALA A 43 -12.722 12.451 3.817 1.00 5.86 C ATOM 0 H ALA A 43 -10.875 12.901 5.495 1.00 5.71 H new ATOM 0 HA ALA A 43 -13.797 12.943 5.607 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -13.575 11.973 3.334 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -12.659 13.491 3.496 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -11.807 11.928 3.537 1.00 5.86 H new ATOM 638 N MET A 44 -12.367 10.548 6.891 1.00 5.27 N ATOM 639 CA MET A 44 -12.441 9.181 7.512 1.00 5.14 C ATOM 640 C MET A 44 -11.673 8.124 6.671 1.00 4.41 C ATOM 641 O MET A 44 -11.546 6.963 7.062 1.00 4.57 O ATOM 642 CB MET A 44 -13.924 8.761 7.776 1.00 5.83 C ATOM 643 CG MET A 44 -14.133 7.420 8.487 1.00 6.40 C ATOM 644 SD MET A 44 -13.442 7.368 10.155 1.00 6.97 S ATOM 645 CE MET A 44 -14.359 8.703 10.938 1.00 7.62 C ATOM 0 H MET A 44 -11.723 11.172 7.376 1.00 5.27 H new ATOM 0 HA MET A 44 -11.942 9.230 8.480 1.00 5.14 H new ATOM 0 HB2 MET A 44 -14.400 9.541 8.370 1.00 5.83 H new ATOM 0 HB3 MET A 44 -14.445 8.726 6.819 1.00 5.83 H new ATOM 0 HG2 MET A 44 -15.201 7.209 8.539 1.00 6.40 H new ATOM 0 HG3 MET A 44 -13.680 6.628 7.891 1.00 6.40 H new ATOM 0 HE1 MET A 44 -14.310 8.591 12.021 1.00 7.62 H new ATOM 0 HE2 MET A 44 -13.923 9.660 10.652 1.00 7.62 H new ATOM 0 HE3 MET A 44 -15.400 8.667 10.616 1.00 7.62 H new ATOM 655 N SER A 45 -11.162 8.575 5.532 1.00 3.91 N ATOM 656 CA SER A 45 -10.394 7.800 4.590 1.00 3.31 C ATOM 657 C SER A 45 -10.978 6.438 4.200 1.00 3.15 C ATOM 658 O SER A 45 -11.883 6.366 3.373 1.00 3.30 O ATOM 659 CB SER A 45 -8.912 7.760 4.958 1.00 3.27 C ATOM 660 OG SER A 45 -8.687 7.346 6.294 1.00 3.82 O ATOM 0 H SER A 45 -11.284 9.543 5.233 1.00 3.91 H new ATOM 0 HA SER A 45 -10.476 8.352 3.654 1.00 3.31 H new ATOM 0 HB2 SER A 45 -8.393 7.082 4.281 1.00 3.27 H new ATOM 0 HB3 SER A 45 -8.480 8.750 4.812 1.00 3.27 H new ATOM 0 HG SER A 45 -8.080 6.577 6.300 1.00 3.82 H new ATOM 666 N ILE A 46 -10.489 5.380 4.821 1.00 3.06 N ATOM 667 CA ILE A 46 -10.920 4.017 4.506 1.00 2.90 C ATOM 668 C ILE A 46 -11.351 3.312 5.789 1.00 3.39 C ATOM 669 O ILE A 46 -10.605 3.278 6.735 1.00 3.76 O ATOM 670 CB ILE A 46 -9.753 3.207 3.863 1.00 2.48 C ATOM 671 CG1 ILE A 46 -9.258 3.897 2.574 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.181 1.772 3.580 1.00 2.38 C ATOM 673 CD1 ILE A 46 -8.073 3.209 1.922 1.00 2.53 C ATOM 0 H ILE A 46 -9.784 5.434 5.556 1.00 3.06 H new ATOM 0 HA ILE A 46 -11.751 4.072 3.803 1.00 2.90 H new ATOM 0 HB ILE A 46 -8.926 3.178 4.573 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.079 3.940 1.859 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -8.985 4.926 2.807 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -9.351 1.226 3.132 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -10.472 1.288 4.513 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -11.027 1.773 2.893 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -7.785 3.754 1.023 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -7.235 3.190 2.619 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -8.346 2.188 1.655 1.00 2.53 H new ATOM 685 N GLN A 47 -12.550 2.752 5.807 1.00 3.62 N ATOM 686 CA GLN A 47 -13.061 2.089 7.019 1.00 4.26 C ATOM 687 C GLN A 47 -12.869 0.581 6.883 1.00 4.05 C ATOM 688 O GLN A 47 -13.170 -0.006 5.844 1.00 3.59 O ATOM 689 CB GLN A 47 -14.546 2.409 7.208 1.00 4.89 C ATOM 690 CG GLN A 47 -15.101 2.194 8.631 1.00 5.73 C ATOM 691 CD GLN A 47 -16.611 2.379 8.667 1.00 6.34 C ATOM 692 OE1 GLN A 47 -17.367 1.442 8.479 1.00 6.66 O ATOM 693 NE2 GLN A 47 -17.043 3.602 8.907 1.00 6.79 N ATOM 0 H GLN A 47 -13.189 2.737 5.012 1.00 3.62 H new ATOM 0 HA GLN A 47 -12.513 2.452 7.888 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -14.714 3.448 6.926 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -15.122 1.794 6.516 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -14.847 1.192 8.976 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -14.629 2.897 9.318 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -16.375 4.358 9.059 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -18.045 3.792 8.941 1.00 6.79 H new ATOM 702 N CYS A 48 -12.358 -0.020 7.922 1.00 4.51 N ATOM 703 CA CYS A 48 -12.057 -1.433 7.953 1.00 4.51 C ATOM 704 C CYS A 48 -13.309 -2.296 8.030 1.00 4.78 C ATOM 705 O CYS A 48 -14.170 -2.090 8.889 1.00 5.43 O ATOM 706 CB CYS A 48 -11.149 -1.745 9.116 1.00 5.18 C ATOM 707 SG CYS A 48 -10.576 -3.442 9.137 1.00 5.33 S ATOM 0 H CYS A 48 -12.133 0.465 8.791 1.00 4.51 H new ATOM 0 HA CYS A 48 -11.555 -1.672 7.015 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -10.287 -1.079 9.083 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -11.678 -1.536 10.046 1.00 5.18 H new ATOM 0 HG CYS A 48 -9.801 -3.626 10.165 1.00 5.33 H new ATOM 713 N LYS A 49 -13.332 -3.300 7.151 1.00 4.37 N ATOM 714 CA LYS A 49 -14.402 -4.292 6.965 1.00 4.60 C ATOM 715 C LYS A 49 -14.784 -4.990 8.269 1.00 5.45 C ATOM 716 O LYS A 49 -15.918 -5.434 8.438 1.00 5.91 O ATOM 717 CB LYS A 49 -13.856 -5.394 6.074 1.00 4.03 C ATOM 718 CG LYS A 49 -14.911 -6.049 5.243 1.00 4.13 C ATOM 719 CD LYS A 49 -14.755 -7.546 5.138 1.00 4.80 C ATOM 720 CE LYS A 49 -14.919 -8.220 6.497 1.00 5.08 C ATOM 721 NZ LYS A 49 -14.893 -9.690 6.396 1.00 5.64 N ATOM 0 H LYS A 49 -12.556 -3.455 6.507 1.00 4.37 H new ATOM 0 HA LYS A 49 -15.267 -3.767 6.559 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -13.091 -4.978 5.418 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -13.370 -6.147 6.694 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -15.889 -5.823 5.668 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -14.892 -5.619 4.242 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -15.494 -7.942 4.442 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -13.773 -7.783 4.729 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -14.122 -7.889 7.163 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -15.861 -7.905 6.946 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -15.008 -10.105 7.343 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -15.669 -10.010 5.781 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -13.984 -9.994 5.992 1.00 5.64 H new ATOM 735 N VAL A 50 -13.817 -5.107 9.171 1.00 5.76 N ATOM 736 CA VAL A 50 -13.978 -5.882 10.402 1.00 6.62 C ATOM 737 C VAL A 50 -15.053 -5.305 11.308 1.00 7.31 C ATOM 738 O VAL A 50 -15.667 -6.030 12.079 1.00 7.94 O ATOM 739 CB VAL A 50 -12.634 -6.010 11.197 1.00 6.99 C ATOM 740 CG1 VAL A 50 -11.541 -6.563 10.304 1.00 6.73 C ATOM 741 CG2 VAL A 50 -12.193 -4.689 11.837 1.00 7.56 C ATOM 0 H VAL A 50 -12.901 -4.670 9.073 1.00 5.76 H new ATOM 0 HA VAL A 50 -14.291 -6.877 10.086 1.00 6.62 H new ATOM 0 HB VAL A 50 -12.816 -6.707 12.015 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -10.614 -6.646 10.872 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -11.832 -7.548 9.940 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -11.389 -5.893 9.457 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -11.256 -4.840 12.374 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -12.049 -3.938 11.060 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -12.959 -4.348 12.533 1.00 7.56 H new ATOM 751 N CYS A 51 -15.265 -4.006 11.207 1.00 7.22 N ATOM 752 CA CYS A 51 -16.235 -3.335 12.022 1.00 7.91 C ATOM 753 C CYS A 51 -16.426 -1.903 11.535 1.00 7.66 C ATOM 754 O CYS A 51 -17.375 -1.612 10.820 1.00 7.62 O ATOM 755 CB CYS A 51 -15.809 -3.359 13.515 1.00 8.65 C ATOM 756 SG CYS A 51 -16.991 -2.605 14.657 1.00 9.28 S ATOM 0 H CYS A 51 -14.767 -3.397 10.558 1.00 7.22 H new ATOM 0 HA CYS A 51 -17.186 -3.860 11.937 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -15.647 -4.394 13.815 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -14.853 -2.845 13.613 1.00 8.65 H new ATOM 0 HG CYS A 51 -16.533 -2.684 15.871 1.00 9.28 H new ATOM 762 N MET A 52 -15.478 -1.030 11.875 1.00 7.53 N ATOM 763 CA MET A 52 -15.612 0.386 11.552 1.00 7.36 C ATOM 764 C MET A 52 -14.293 1.121 11.866 1.00 7.19 C ATOM 765 O MET A 52 -14.277 2.240 12.352 1.00 7.51 O ATOM 766 CB MET A 52 -16.778 0.947 12.389 1.00 8.14 C ATOM 767 CG MET A 52 -17.153 2.384 12.115 1.00 8.25 C ATOM 768 SD MET A 52 -18.528 2.954 13.137 1.00 9.18 S ATOM 769 CE MET A 52 -18.744 4.620 12.515 1.00 9.44 C ATOM 0 H MET A 52 -14.620 -1.276 12.368 1.00 7.53 H new ATOM 0 HA MET A 52 -15.821 0.529 10.492 1.00 7.36 H new ATOM 0 HB2 MET A 52 -17.656 0.324 12.218 1.00 8.14 H new ATOM 0 HB3 MET A 52 -16.521 0.853 13.444 1.00 8.14 H new ATOM 0 HG2 MET A 52 -16.286 3.021 12.291 1.00 8.25 H new ATOM 0 HG3 MET A 52 -17.419 2.491 11.063 1.00 8.25 H new ATOM 0 HE1 MET A 52 -19.561 5.105 13.050 1.00 9.44 H new ATOM 0 HE2 MET A 52 -17.825 5.187 12.665 1.00 9.44 H new ATOM 0 HE3 MET A 52 -18.978 4.584 11.451 1.00 9.44 H new ATOM 779 N GLN A 53 -13.175 0.483 11.562 1.00 6.77 N ATOM 780 CA GLN A 53 -11.855 1.087 11.871 1.00 6.78 C ATOM 781 C GLN A 53 -11.397 1.853 10.676 1.00 5.99 C ATOM 782 O GLN A 53 -12.145 1.972 9.742 1.00 5.51 O ATOM 783 CB GLN A 53 -10.843 0.014 12.257 1.00 7.00 C ATOM 784 CG GLN A 53 -11.386 -0.902 13.306 1.00 7.73 C ATOM 785 CD GLN A 53 -11.837 -0.163 14.562 1.00 8.54 C ATOM 786 OE1 GLN A 53 -11.057 0.035 15.498 1.00 9.11 O ATOM 787 NE2 GLN A 53 -13.088 0.256 14.564 1.00 8.65 N ATOM 0 H GLN A 53 -13.135 -0.432 11.112 1.00 6.77 H new ATOM 0 HA GLN A 53 -11.947 1.760 12.723 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -10.570 -0.564 11.374 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -9.932 0.487 12.623 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -12.229 -1.458 12.895 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -10.623 -1.632 13.574 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -13.691 0.065 13.764 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -13.452 0.771 15.366 1.00 8.65 H new ATOM 796 N THR A 54 -10.205 2.362 10.669 1.00 5.92 N ATOM 797 CA THR A 54 -9.809 3.137 9.532 1.00 5.23 C ATOM 798 C THR A 54 -8.370 2.858 9.109 1.00 5.04 C ATOM 799 O THR A 54 -7.571 2.287 9.874 1.00 5.63 O ATOM 800 CB THR A 54 -10.052 4.673 9.766 1.00 5.45 C ATOM 801 OG1 THR A 54 -9.695 5.451 8.605 1.00 4.93 O ATOM 802 CG2 THR A 54 -9.265 5.156 10.965 1.00 5.93 C ATOM 0 H THR A 54 -9.509 2.262 11.408 1.00 5.92 H new ATOM 0 HA THR A 54 -10.446 2.823 8.705 1.00 5.23 H new ATOM 0 HB THR A 54 -11.117 4.810 9.952 1.00 5.45 H new ATOM 0 HG1 THR A 54 -10.496 5.881 8.240 1.00 4.93 H new ATOM 0 HG21 THR A 54 -9.444 6.221 11.113 1.00 5.93 H new ATOM 0 HG22 THR A 54 -9.581 4.608 11.853 1.00 5.93 H new ATOM 0 HG23 THR A 54 -8.202 4.987 10.794 1.00 5.93 H new ATOM 810 N PHE A 55 -8.084 3.238 7.890 1.00 4.34 N ATOM 811 CA PHE A 55 -6.809 3.129 7.246 1.00 4.27 C ATOM 812 C PHE A 55 -6.630 4.384 6.436 1.00 3.93 C ATOM 813 O PHE A 55 -7.615 4.945 5.948 1.00 3.54 O ATOM 814 CB PHE A 55 -6.765 1.916 6.301 1.00 3.91 C ATOM 815 CG PHE A 55 -6.849 0.585 6.992 1.00 4.29 C ATOM 816 CD1 PHE A 55 -5.725 0.042 7.585 1.00 4.24 C ATOM 817 CD2 PHE A 55 -8.045 -0.132 7.037 1.00 4.83 C ATOM 818 CE1 PHE A 55 -5.776 -1.187 8.221 1.00 4.63 C ATOM 819 CE2 PHE A 55 -8.092 -1.357 7.673 1.00 5.27 C ATOM 820 CZ PHE A 55 -6.960 -1.882 8.273 1.00 5.13 C ATOM 0 H PHE A 55 -8.787 3.660 7.284 1.00 4.34 H new ATOM 0 HA PHE A 55 -6.023 3.000 7.990 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -7.588 1.995 5.590 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -5.841 1.954 5.724 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -4.792 0.585 7.552 1.00 4.24 H new ATOM 0 HD2 PHE A 55 -8.934 0.271 6.575 1.00 4.83 H new ATOM 0 HE1 PHE A 55 -4.887 -1.598 8.675 1.00 4.63 H new ATOM 0 HE2 PHE A 55 -9.019 -1.910 7.703 1.00 5.27 H new ATOM 0 HZ PHE A 55 -7.008 -2.834 8.780 1.00 5.13 H new ATOM 830 N ILE A 56 -5.420 4.825 6.282 1.00 4.24 N ATOM 831 CA ILE A 56 -5.149 6.063 5.555 1.00 4.10 C ATOM 832 C ILE A 56 -5.401 5.912 4.053 1.00 3.68 C ATOM 833 O ILE A 56 -5.045 4.897 3.446 1.00 3.75 O ATOM 834 CB ILE A 56 -3.694 6.572 5.813 1.00 4.78 C ATOM 835 CG1 ILE A 56 -3.402 7.908 5.092 1.00 4.73 C ATOM 836 CG2 ILE A 56 -2.659 5.513 5.451 1.00 5.23 C ATOM 837 CD1 ILE A 56 -4.268 9.068 5.551 1.00 4.53 C ATOM 0 H ILE A 56 -4.590 4.356 6.645 1.00 4.24 H new ATOM 0 HA ILE A 56 -5.847 6.808 5.938 1.00 4.10 H new ATOM 0 HB ILE A 56 -3.616 6.764 6.883 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -2.355 8.169 5.245 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -3.542 7.767 4.020 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -1.659 5.901 5.643 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -2.824 4.621 6.055 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -2.753 5.258 4.395 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -3.998 9.966 4.995 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -5.317 8.832 5.372 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -4.111 9.240 6.616 1.00 4.53 H new ATOM 849 N CYS A 57 -6.045 6.904 3.464 1.00 3.44 N ATOM 850 CA CYS A 57 -6.246 6.924 2.055 1.00 3.38 C ATOM 851 C CYS A 57 -4.999 7.447 1.343 1.00 3.93 C ATOM 852 O CYS A 57 -4.909 8.608 0.970 1.00 4.21 O ATOM 853 CB CYS A 57 -7.526 7.691 1.655 1.00 3.28 C ATOM 854 SG CYS A 57 -7.640 9.386 2.311 1.00 4.03 S ATOM 0 H CYS A 57 -6.435 7.706 3.959 1.00 3.44 H new ATOM 0 HA CYS A 57 -6.406 5.898 1.725 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -7.582 7.733 0.567 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -8.393 7.125 1.997 1.00 3.28 H new ATOM 0 HG CYS A 57 -8.750 9.932 1.911 1.00 4.03 H new ATOM 860 N THR A 58 -4.002 6.576 1.254 1.00 4.31 N ATOM 861 CA THR A 58 -2.754 6.837 0.537 1.00 5.03 C ATOM 862 C THR A 58 -3.025 7.041 -0.994 1.00 5.13 C ATOM 863 O THR A 58 -2.145 7.420 -1.769 1.00 5.79 O ATOM 864 CB THR A 58 -1.835 5.620 0.734 1.00 5.61 C ATOM 865 OG1 THR A 58 -1.859 5.245 2.120 1.00 6.01 O ATOM 866 CG2 THR A 58 -0.395 5.948 0.344 1.00 5.89 C ATOM 0 H THR A 58 -4.035 5.652 1.684 1.00 4.31 H new ATOM 0 HA THR A 58 -2.291 7.745 0.924 1.00 5.03 H new ATOM 0 HB THR A 58 -2.193 4.808 0.100 1.00 5.61 H new ATOM 0 HG1 THR A 58 -1.278 4.468 2.259 1.00 6.01 H new ATOM 0 HG21 THR A 58 0.232 5.069 0.494 1.00 5.89 H new ATOM 0 HG22 THR A 58 -0.360 6.244 -0.704 1.00 5.89 H new ATOM 0 HG23 THR A 58 -0.027 6.766 0.964 1.00 5.89 H new ATOM 874 N THR A 59 -4.242 6.777 -1.395 1.00 4.66 N ATOM 875 CA THR A 59 -4.666 6.910 -2.762 1.00 4.98 C ATOM 876 C THR A 59 -6.140 7.360 -2.696 1.00 4.60 C ATOM 877 O THR A 59 -6.713 7.354 -1.611 1.00 4.34 O ATOM 878 CB THR A 59 -4.502 5.535 -3.502 1.00 5.47 C ATOM 879 OG1 THR A 59 -3.148 5.063 -3.329 1.00 6.19 O ATOM 880 CG2 THR A 59 -4.766 5.659 -5.005 1.00 5.90 C ATOM 0 H THR A 59 -4.979 6.457 -0.767 1.00 4.66 H new ATOM 0 HA THR A 59 -4.072 7.633 -3.320 1.00 4.98 H new ATOM 0 HB THR A 59 -5.227 4.843 -3.073 1.00 5.47 H new ATOM 0 HG1 THR A 59 -3.040 4.204 -3.788 1.00 6.19 H new ATOM 0 HG21 THR A 59 -4.642 4.685 -5.478 1.00 5.90 H new ATOM 0 HG22 THR A 59 -5.784 6.014 -5.168 1.00 5.90 H new ATOM 0 HG23 THR A 59 -4.061 6.367 -5.441 1.00 5.90 H new ATOM 888 N SER A 60 -6.761 7.701 -3.822 1.00 4.93 N ATOM 889 CA SER A 60 -8.106 8.250 -3.839 1.00 5.08 C ATOM 890 C SER A 60 -9.181 7.173 -3.565 1.00 4.91 C ATOM 891 O SER A 60 -10.351 7.409 -3.818 1.00 5.44 O ATOM 892 CB SER A 60 -8.329 8.846 -5.221 1.00 5.82 C ATOM 893 OG SER A 60 -7.247 9.690 -5.584 1.00 6.47 O ATOM 0 H SER A 60 -6.342 7.603 -4.747 1.00 4.93 H new ATOM 0 HA SER A 60 -8.198 8.998 -3.051 1.00 5.08 H new ATOM 0 HB2 SER A 60 -8.435 8.047 -5.954 1.00 5.82 H new ATOM 0 HB3 SER A 60 -9.259 9.414 -5.232 1.00 5.82 H new ATOM 0 HG SER A 60 -7.408 10.062 -6.476 1.00 6.47 H new ATOM 899 N GLU A 61 -8.751 6.003 -3.034 1.00 4.39 N ATOM 900 CA GLU A 61 -9.607 4.828 -2.752 1.00 4.24 C ATOM 901 C GLU A 61 -10.226 4.244 -4.032 1.00 4.81 C ATOM 902 O GLU A 61 -9.974 3.107 -4.385 1.00 4.86 O ATOM 903 CB GLU A 61 -10.730 5.141 -1.743 1.00 4.06 C ATOM 904 CG GLU A 61 -11.656 3.955 -1.545 1.00 4.21 C ATOM 905 CD GLU A 61 -12.942 4.284 -0.842 1.00 4.27 C ATOM 906 OE1 GLU A 61 -13.518 5.340 -1.120 1.00 4.60 O ATOM 907 OE2 GLU A 61 -13.304 3.560 0.085 1.00 4.34 O ATOM 0 H GLU A 61 -7.774 5.848 -2.784 1.00 4.39 H new ATOM 0 HA GLU A 61 -8.942 4.087 -2.309 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -10.291 5.423 -0.786 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -11.306 5.997 -2.094 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -11.888 3.524 -2.519 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -11.130 3.189 -0.975 1.00 4.21 H new ATOM 914 N VAL A 62 -11.025 5.037 -4.713 1.00 5.34 N ATOM 915 CA VAL A 62 -11.754 4.621 -5.897 1.00 6.05 C ATOM 916 C VAL A 62 -10.800 4.191 -6.990 1.00 6.40 C ATOM 917 O VAL A 62 -11.128 3.359 -7.806 1.00 6.81 O ATOM 918 CB VAL A 62 -12.643 5.757 -6.427 1.00 6.66 C ATOM 919 CG1 VAL A 62 -11.847 6.776 -7.202 1.00 7.23 C ATOM 920 CG2 VAL A 62 -13.841 5.239 -7.193 1.00 7.09 C ATOM 0 H VAL A 62 -11.191 6.010 -4.455 1.00 5.34 H new ATOM 0 HA VAL A 62 -12.384 3.778 -5.611 1.00 6.05 H new ATOM 0 HB VAL A 62 -13.048 6.278 -5.559 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -12.512 7.562 -7.559 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -11.085 7.211 -6.555 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -11.367 6.292 -8.053 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -14.438 6.080 -7.547 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -13.501 4.651 -8.046 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -14.448 4.613 -6.539 1.00 7.09 H new ATOM 930 N LYS A 63 -9.610 4.762 -6.976 1.00 6.35 N ATOM 931 CA LYS A 63 -8.606 4.415 -7.973 1.00 6.86 C ATOM 932 C LYS A 63 -8.211 2.939 -7.728 1.00 6.61 C ATOM 933 O LYS A 63 -8.081 2.117 -8.660 1.00 7.11 O ATOM 934 CB LYS A 63 -7.389 5.356 -7.832 1.00 7.01 C ATOM 935 CG LYS A 63 -6.535 5.509 -9.091 1.00 7.83 C ATOM 936 CD LYS A 63 -6.006 4.195 -9.597 1.00 8.08 C ATOM 937 CE LYS A 63 -5.277 4.370 -10.906 1.00 8.93 C ATOM 938 NZ LYS A 63 -4.840 3.077 -11.468 1.00 9.36 N ATOM 0 H LYS A 63 -9.314 5.461 -6.295 1.00 6.35 H new ATOM 0 HA LYS A 63 -8.990 4.531 -8.987 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -7.745 6.342 -7.532 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -6.756 4.986 -7.025 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -7.129 5.982 -9.873 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -5.699 6.175 -8.879 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -5.333 3.762 -8.857 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -6.830 3.494 -9.727 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -5.928 4.875 -11.620 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -4.410 5.013 -10.756 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -4.343 3.239 -12.367 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -4.199 2.606 -10.798 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -5.670 2.473 -11.635 1.00 9.36 H new ATOM 952 N CYS A 64 -8.069 2.614 -6.470 1.00 5.90 N ATOM 953 CA CYS A 64 -7.778 1.258 -6.048 1.00 5.63 C ATOM 954 C CYS A 64 -8.970 0.397 -6.385 1.00 5.60 C ATOM 955 O CYS A 64 -8.822 -0.761 -6.770 1.00 5.71 O ATOM 956 CB CYS A 64 -7.501 1.223 -4.545 1.00 4.97 C ATOM 957 SG CYS A 64 -6.218 2.384 -4.013 1.00 4.95 S ATOM 0 H CYS A 64 -8.151 3.280 -5.702 1.00 5.90 H new ATOM 0 HA CYS A 64 -6.892 0.884 -6.561 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -8.424 1.445 -4.009 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -7.204 0.213 -4.263 1.00 4.97 H new ATOM 0 HG CYS A 64 -6.052 2.288 -2.727 1.00 4.95 H new ATOM 963 N ARG A 65 -10.171 1.009 -6.295 1.00 5.62 N ATOM 964 CA ARG A 65 -11.386 0.320 -6.616 1.00 5.84 C ATOM 965 C ARG A 65 -11.415 -0.119 -8.054 1.00 6.60 C ATOM 966 O ARG A 65 -11.874 -1.189 -8.342 1.00 6.69 O ATOM 967 CB ARG A 65 -12.659 1.094 -6.270 1.00 5.99 C ATOM 968 CG ARG A 65 -12.855 1.405 -4.793 1.00 5.98 C ATOM 969 CD ARG A 65 -14.223 2.063 -4.571 1.00 6.32 C ATOM 970 NE ARG A 65 -14.450 2.485 -3.179 1.00 6.70 N ATOM 971 CZ ARG A 65 -15.659 2.791 -2.652 1.00 7.13 C ATOM 972 NH1 ARG A 65 -16.763 2.640 -3.383 1.00 7.25 N ATOM 973 NH2 ARG A 65 -15.752 3.248 -1.413 1.00 7.69 N ATOM 0 H ARG A 65 -10.298 1.977 -6.001 1.00 5.62 H new ATOM 0 HA ARG A 65 -11.381 -0.561 -5.974 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -12.654 2.033 -6.824 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -13.518 0.522 -6.620 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -12.784 0.488 -4.208 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -12.063 2.068 -4.444 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -14.311 2.931 -5.225 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -15.006 1.363 -4.863 1.00 6.32 H new ATOM 0 HE ARG A 65 -13.637 2.552 -2.567 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -16.697 2.294 -4.340 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -17.674 2.871 -2.985 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -14.910 3.371 -0.850 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -16.665 3.477 -1.021 1.00 7.69 H new ATOM 987 N GLU A 66 -10.881 0.709 -8.951 1.00 7.20 N ATOM 988 CA GLU A 66 -10.866 0.391 -10.381 1.00 8.03 C ATOM 989 C GLU A 66 -10.177 -0.937 -10.588 1.00 8.03 C ATOM 990 O GLU A 66 -10.705 -1.849 -11.242 1.00 8.42 O ATOM 991 CB GLU A 66 -10.092 1.428 -11.187 1.00 8.67 C ATOM 992 CG GLU A 66 -10.412 2.874 -10.897 1.00 8.45 C ATOM 993 CD GLU A 66 -9.685 3.785 -11.855 1.00 9.17 C ATOM 994 OE1 GLU A 66 -8.428 3.809 -11.826 1.00 9.78 O ATOM 995 OE2 GLU A 66 -10.347 4.461 -12.670 1.00 9.24 O ATOM 0 H GLU A 66 -10.453 1.604 -8.715 1.00 7.20 H new ATOM 0 HA GLU A 66 -11.902 0.371 -10.718 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -9.027 1.272 -11.013 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -10.273 1.243 -12.246 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -11.487 3.037 -10.978 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -10.129 3.116 -9.872 1.00 8.45 H new ATOM 1002 N HIS A 67 -8.997 -1.044 -9.991 1.00 7.64 N ATOM 1003 CA HIS A 67 -8.208 -2.252 -10.102 1.00 7.74 C ATOM 1004 C HIS A 67 -8.867 -3.410 -9.367 1.00 7.19 C ATOM 1005 O HIS A 67 -8.753 -4.560 -9.781 1.00 7.42 O ATOM 1006 CB HIS A 67 -6.760 -2.039 -9.594 1.00 7.65 C ATOM 1007 CG HIS A 67 -5.911 -3.283 -9.652 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -5.245 -3.696 -10.789 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -5.652 -4.218 -8.707 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -4.621 -4.839 -10.534 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -4.852 -5.171 -9.279 1.00 8.28 N ATOM 0 H HIS A 67 -8.571 -0.308 -9.428 1.00 7.64 H new ATOM 0 HA HIS A 67 -8.156 -2.504 -11.161 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -6.286 -1.258 -10.189 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -6.794 -1.680 -8.565 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -6.011 -4.213 -7.688 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -4.024 -5.402 -11.236 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -4.493 -6.003 -8.810 1.00 8.28 H new ATOM 1020 N ALA A 68 -9.552 -3.101 -8.307 1.00 6.53 N ATOM 1021 CA ALA A 68 -10.148 -4.112 -7.465 1.00 6.01 C ATOM 1022 C ALA A 68 -11.392 -4.691 -8.060 1.00 6.43 C ATOM 1023 O ALA A 68 -11.559 -5.886 -8.054 1.00 6.43 O ATOM 1024 CB ALA A 68 -10.434 -3.571 -6.102 1.00 5.28 C ATOM 0 H ALA A 68 -9.717 -2.144 -7.996 1.00 6.53 H new ATOM 0 HA ALA A 68 -9.419 -4.918 -7.383 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -10.882 -4.352 -5.487 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -9.505 -3.235 -5.641 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -11.124 -2.731 -6.181 1.00 5.28 H new ATOM 1030 N GLU A 69 -12.260 -3.856 -8.587 1.00 6.88 N ATOM 1031 CA GLU A 69 -13.519 -4.337 -9.153 1.00 7.44 C ATOM 1032 C GLU A 69 -13.225 -5.248 -10.356 1.00 8.10 C ATOM 1033 O GLU A 69 -13.925 -6.234 -10.601 1.00 8.50 O ATOM 1034 CB GLU A 69 -14.420 -3.170 -9.575 1.00 7.93 C ATOM 1035 CG GLU A 69 -14.679 -2.121 -8.484 1.00 7.64 C ATOM 1036 CD GLU A 69 -15.218 -2.676 -7.181 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -16.459 -2.871 -7.077 1.00 7.77 O ATOM 1038 OE2 GLU A 69 -14.410 -2.978 -6.277 1.00 7.78 O ATOM 0 H GLU A 69 -12.127 -2.846 -8.640 1.00 6.88 H new ATOM 0 HA GLU A 69 -14.049 -4.904 -8.388 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -13.968 -2.674 -10.434 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -15.378 -3.572 -9.906 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -13.748 -1.593 -8.280 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -15.385 -1.385 -8.868 1.00 7.64 H new ATOM 1045 N ALA A 70 -12.136 -4.927 -11.064 1.00 8.29 N ATOM 1046 CA ALA A 70 -11.707 -5.678 -12.223 1.00 8.98 C ATOM 1047 C ALA A 70 -10.766 -6.838 -11.833 1.00 8.74 C ATOM 1048 O ALA A 70 -10.176 -7.492 -12.712 1.00 9.31 O ATOM 1049 CB ALA A 70 -10.996 -4.746 -13.184 1.00 9.41 C ATOM 0 H ALA A 70 -11.534 -4.135 -10.839 1.00 8.29 H new ATOM 0 HA ALA A 70 -12.589 -6.110 -12.697 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -10.670 -5.306 -14.060 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -11.677 -3.953 -13.493 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -10.129 -4.307 -12.691 1.00 9.41 H new ATOM 1055 N LYS A 71 -10.621 -7.082 -10.538 1.00 7.94 N ATOM 1056 CA LYS A 71 -9.765 -8.148 -10.033 1.00 7.72 C ATOM 1057 C LYS A 71 -10.345 -8.798 -8.802 1.00 7.00 C ATOM 1058 O LYS A 71 -11.068 -9.788 -8.909 1.00 7.10 O ATOM 1059 CB LYS A 71 -8.313 -7.674 -9.781 1.00 7.70 C ATOM 1060 CG LYS A 71 -7.490 -7.483 -11.042 1.00 8.55 C ATOM 1061 CD LYS A 71 -7.159 -8.841 -11.663 1.00 9.28 C ATOM 1062 CE LYS A 71 -6.469 -8.704 -13.009 1.00 10.04 C ATOM 1063 NZ LYS A 71 -7.376 -8.159 -14.047 1.00 10.32 N ATOM 0 H LYS A 71 -11.092 -6.548 -9.808 1.00 7.94 H new ATOM 0 HA LYS A 71 -9.723 -8.902 -10.819 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -8.341 -6.732 -9.233 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -7.812 -8.400 -9.141 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -8.041 -6.872 -11.757 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -6.570 -6.947 -10.808 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -6.518 -9.403 -10.984 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -8.077 -9.417 -11.784 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -5.602 -8.051 -12.907 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -6.099 -9.679 -13.327 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -7.507 -8.865 -14.799 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -8.297 -7.933 -13.620 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -6.961 -7.296 -14.452 1.00 10.32 H new ATOM 1077 N HIS A 72 -10.067 -8.203 -7.629 1.00 6.33 N ATOM 1078 CA HIS A 72 -10.495 -8.726 -6.315 1.00 5.62 C ATOM 1079 C HIS A 72 -10.302 -10.264 -6.200 1.00 5.65 C ATOM 1080 O HIS A 72 -11.252 -10.994 -5.957 1.00 5.60 O ATOM 1081 CB HIS A 72 -11.940 -8.263 -5.904 1.00 5.47 C ATOM 1082 CG HIS A 72 -13.078 -8.656 -6.842 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -13.592 -9.925 -6.914 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -13.765 -7.930 -7.759 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -14.543 -9.968 -7.820 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -14.669 -8.766 -8.353 1.00 7.47 N ATOM 0 H HIS A 72 -9.533 -7.336 -7.563 1.00 6.33 H new ATOM 0 HA HIS A 72 -9.826 -8.275 -5.582 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -12.159 -8.667 -4.916 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -11.936 -7.177 -5.810 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -13.283 -10.716 -6.350 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -13.624 -6.882 -7.980 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -15.124 -10.839 -8.084 1.00 7.21 H new ATOM 1095 N PRO A 73 -9.038 -10.758 -6.387 1.00 5.90 N ATOM 1096 CA PRO A 73 -8.737 -12.194 -6.403 1.00 6.06 C ATOM 1097 C PRO A 73 -9.209 -12.931 -5.160 1.00 5.49 C ATOM 1098 O PRO A 73 -9.650 -14.064 -5.262 1.00 5.49 O ATOM 1099 CB PRO A 73 -7.211 -12.249 -6.505 1.00 6.60 C ATOM 1100 CG PRO A 73 -6.841 -10.970 -7.147 1.00 6.81 C ATOM 1101 CD PRO A 73 -7.814 -9.955 -6.611 1.00 6.21 C ATOM 0 HA PRO A 73 -9.256 -12.688 -7.224 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -6.750 -12.349 -5.522 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -6.883 -13.102 -7.099 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -5.814 -10.694 -6.908 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -6.907 -11.042 -8.233 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -7.455 -9.499 -5.688 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -7.986 -9.146 -7.321 1.00 6.21 H new ATOM 1109 N LYS A 74 -9.121 -12.280 -3.983 1.00 5.12 N ATOM 1110 CA LYS A 74 -9.526 -12.943 -2.740 1.00 4.75 C ATOM 1111 C LYS A 74 -9.549 -12.006 -1.536 1.00 4.46 C ATOM 1112 O LYS A 74 -10.471 -12.068 -0.737 1.00 4.75 O ATOM 1113 CB LYS A 74 -8.621 -14.159 -2.449 1.00 5.23 C ATOM 1114 CG LYS A 74 -7.124 -13.859 -2.224 1.00 5.74 C ATOM 1115 CD LYS A 74 -6.390 -15.203 -2.053 1.00 6.36 C ATOM 1116 CE LYS A 74 -4.907 -15.063 -1.776 1.00 6.91 C ATOM 1117 NZ LYS A 74 -4.250 -16.393 -1.612 1.00 7.32 N ATOM 0 H LYS A 74 -8.783 -11.324 -3.873 1.00 5.12 H new ATOM 0 HA LYS A 74 -10.551 -13.280 -2.897 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -9.005 -14.667 -1.564 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -8.709 -14.858 -3.281 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -6.715 -13.306 -3.070 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -6.989 -13.236 -1.340 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -6.852 -15.756 -1.235 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -6.526 -15.797 -2.956 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -4.433 -14.521 -2.594 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -4.759 -14.470 -0.873 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -3.236 -16.258 -1.424 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -4.686 -16.900 -0.815 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -4.370 -16.949 -2.483 1.00 7.32 H new ATOM 1131 N ALA A 75 -8.542 -11.127 -1.459 1.00 4.19 N ATOM 1132 CA ALA A 75 -8.290 -10.250 -0.303 1.00 4.02 C ATOM 1133 C ALA A 75 -7.663 -11.070 0.828 1.00 4.43 C ATOM 1134 O ALA A 75 -8.288 -11.909 1.440 1.00 4.52 O ATOM 1135 CB ALA A 75 -9.497 -9.393 0.125 1.00 3.36 C ATOM 0 H ALA A 75 -7.865 -11.001 -2.212 1.00 4.19 H new ATOM 0 HA ALA A 75 -7.570 -9.491 -0.609 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -9.221 -8.779 0.982 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -9.797 -8.749 -0.701 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -10.327 -10.044 0.397 1.00 3.36 H new ATOM 1141 N ASP A 76 -6.397 -10.806 1.036 1.00 5.01 N ATOM 1142 CA ASP A 76 -5.511 -11.605 1.902 1.00 5.63 C ATOM 1143 C ASP A 76 -5.599 -11.106 3.350 1.00 5.81 C ATOM 1144 O ASP A 76 -6.585 -11.340 4.050 1.00 5.63 O ATOM 1145 CB ASP A 76 -4.060 -11.439 1.386 1.00 6.39 C ATOM 1146 CG ASP A 76 -3.962 -11.503 -0.113 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -4.269 -10.530 -0.801 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -3.566 -12.589 -0.634 1.00 6.80 O ATOM 0 H ASP A 76 -5.924 -10.012 0.604 1.00 5.01 H new ATOM 0 HA ASP A 76 -5.810 -12.653 1.877 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -3.664 -10.484 1.731 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -3.434 -12.219 1.820 1.00 6.39 H new ATOM 1153 N VAL A 77 -4.562 -10.403 3.793 1.00 6.30 N ATOM 1154 CA VAL A 77 -4.597 -9.713 5.059 1.00 6.58 C ATOM 1155 C VAL A 77 -5.207 -8.354 4.820 1.00 5.93 C ATOM 1156 O VAL A 77 -5.510 -7.611 5.737 1.00 6.00 O ATOM 1157 CB VAL A 77 -3.175 -9.566 5.704 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -2.578 -10.927 6.038 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -2.235 -8.798 4.780 1.00 7.55 C ATOM 0 H VAL A 77 -3.685 -10.301 3.283 1.00 6.30 H new ATOM 0 HA VAL A 77 -5.191 -10.295 5.764 1.00 6.58 H new ATOM 0 HB VAL A 77 -3.293 -9.004 6.631 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -1.592 -10.793 6.484 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -3.227 -11.446 6.743 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -2.487 -11.518 5.127 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -1.255 -8.709 5.250 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -2.137 -9.332 3.835 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -2.640 -7.803 4.594 1.00 7.55 H new ATOM 1169 N VAL A 78 -5.400 -8.072 3.536 1.00 5.38 N ATOM 1170 CA VAL A 78 -6.025 -6.854 3.061 1.00 4.74 C ATOM 1171 C VAL A 78 -7.520 -7.076 2.932 1.00 4.00 C ATOM 1172 O VAL A 78 -8.229 -6.274 2.348 1.00 3.42 O ATOM 1173 CB VAL A 78 -5.455 -6.404 1.687 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -3.948 -6.173 1.770 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -5.782 -7.415 0.596 1.00 4.70 C ATOM 0 H VAL A 78 -5.118 -8.701 2.784 1.00 5.38 H new ATOM 0 HA VAL A 78 -5.813 -6.067 3.785 1.00 4.74 H new ATOM 0 HB VAL A 78 -5.932 -5.460 1.426 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -3.574 -5.859 0.796 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -3.739 -5.397 2.506 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -3.454 -7.098 2.067 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -5.370 -7.072 -0.353 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -5.347 -8.381 0.853 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -6.864 -7.517 0.506 1.00 4.70 H new ATOM 1185 N ALA A 79 -7.999 -8.167 3.535 1.00 4.18 N ATOM 1186 CA ALA A 79 -9.423 -8.500 3.569 1.00 3.76 C ATOM 1187 C ALA A 79 -10.166 -7.542 4.498 1.00 3.69 C ATOM 1188 O ALA A 79 -11.376 -7.637 4.703 1.00 3.56 O ATOM 1189 CB ALA A 79 -9.614 -9.951 3.986 1.00 4.24 C ATOM 0 H ALA A 79 -7.407 -8.846 4.014 1.00 4.18 H new ATOM 0 HA ALA A 79 -9.843 -8.385 2.570 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -10.678 -10.186 4.007 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -9.112 -10.604 3.272 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -9.189 -10.104 4.978 1.00 4.24 H new ATOM 1195 N CYS A 80 -9.402 -6.622 5.048 1.00 4.00 N ATOM 1196 CA CYS A 80 -9.876 -5.548 5.853 1.00 4.07 C ATOM 1197 C CYS A 80 -10.511 -4.490 4.965 1.00 3.33 C ATOM 1198 O CYS A 80 -11.303 -3.682 5.433 1.00 3.38 O ATOM 1199 CB CYS A 80 -8.703 -4.992 6.640 1.00 4.73 C ATOM 1200 SG CYS A 80 -7.294 -4.496 5.613 1.00 5.60 S ATOM 0 H CYS A 80 -8.389 -6.614 4.932 1.00 4.00 H new ATOM 0 HA CYS A 80 -10.639 -5.889 6.553 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -9.041 -4.130 7.216 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -8.371 -5.743 7.356 1.00 4.73 H new ATOM 0 HG CYS A 80 -6.724 -3.451 6.135 1.00 5.60 H new ATOM 1206 N PHE A 81 -10.138 -4.487 3.710 1.00 2.86 N ATOM 1207 CA PHE A 81 -10.797 -3.679 2.716 1.00 2.27 C ATOM 1208 C PHE A 81 -10.504 -4.328 1.371 1.00 2.17 C ATOM 1209 O PHE A 81 -9.477 -4.059 0.755 1.00 2.52 O ATOM 1210 CB PHE A 81 -10.348 -2.209 2.744 1.00 2.41 C ATOM 1211 CG PHE A 81 -11.296 -1.275 2.014 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -12.540 -0.932 2.533 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -10.932 -0.752 0.784 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -13.384 -0.088 1.842 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -11.775 0.091 0.094 1.00 4.68 C ATOM 1216 CZ PHE A 81 -13.064 0.449 0.735 1.00 5.13 C ATOM 0 H PHE A 81 -9.366 -5.047 3.348 1.00 2.86 H new ATOM 0 HA PHE A 81 -11.868 -3.644 2.916 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -10.257 -1.884 3.781 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -9.357 -2.131 2.297 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -12.849 -1.331 3.488 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -9.973 -1.009 0.360 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -14.357 0.126 2.259 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -11.507 0.477 -0.878 1.00 4.68 H new ATOM 0 HZ PHE A 81 -13.726 1.161 0.265 1.00 5.13 H new ATOM 1226 N PRO A 82 -11.394 -5.250 0.918 1.00 2.09 N ATOM 1227 CA PRO A 82 -11.173 -6.089 -0.294 1.00 2.39 C ATOM 1228 C PRO A 82 -11.037 -5.327 -1.596 1.00 2.74 C ATOM 1229 O PRO A 82 -10.926 -5.931 -2.657 1.00 3.27 O ATOM 1230 CB PRO A 82 -12.393 -7.007 -0.332 1.00 2.47 C ATOM 1231 CG PRO A 82 -12.953 -6.968 1.046 1.00 2.41 C ATOM 1232 CD PRO A 82 -12.683 -5.587 1.562 1.00 2.19 C ATOM 0 HA PRO A 82 -10.217 -6.607 -0.214 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -13.123 -6.662 -1.064 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -12.114 -8.022 -0.615 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -14.022 -7.180 1.039 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -12.483 -7.720 1.680 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -13.471 -4.888 1.282 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -12.611 -5.567 2.649 1.00 2.19 H new ATOM 1240 N HIS A 83 -11.022 -4.033 -1.520 1.00 2.68 N ATOM 1241 CA HIS A 83 -10.852 -3.227 -2.707 1.00 3.26 C ATOM 1242 C HIS A 83 -9.396 -2.752 -2.777 1.00 3.66 C ATOM 1243 O HIS A 83 -9.043 -1.904 -3.590 1.00 4.25 O ATOM 1244 CB HIS A 83 -11.824 -2.024 -2.735 1.00 3.25 C ATOM 1245 CG HIS A 83 -13.300 -2.392 -2.601 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -14.146 -2.663 -3.657 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -14.067 -2.523 -1.485 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -15.350 -2.938 -3.199 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -15.323 -2.861 -1.891 1.00 4.19 N ATOM 0 H HIS A 83 -11.125 -3.505 -0.654 1.00 2.68 H new ATOM 0 HA HIS A 83 -11.086 -3.837 -3.579 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -11.559 -1.342 -1.927 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -11.682 -1.482 -3.670 1.00 3.25 H new ATOM 0 HD1 HIS A 83 -13.880 -2.652 -4.642 1.00 3.86 H new ATOM 0 HD2 HIS A 83 -13.740 -2.385 -0.465 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -16.213 -3.185 -3.799 1.00 4.24 H new ATOM 1258 N LEU A 84 -8.557 -3.319 -1.899 1.00 3.56 N ATOM 1259 CA LEU A 84 -7.137 -2.993 -1.868 1.00 4.20 C ATOM 1260 C LEU A 84 -6.283 -4.182 -2.329 1.00 4.81 C ATOM 1261 O LEU A 84 -5.044 -4.097 -2.328 1.00 5.47 O ATOM 1262 CB LEU A 84 -6.702 -2.577 -0.463 1.00 4.05 C ATOM 1263 CG LEU A 84 -7.500 -1.443 0.177 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -6.932 -1.100 1.549 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -7.577 -0.198 -0.724 1.00 3.49 C ATOM 0 H LEU A 84 -8.845 -4.006 -1.202 1.00 3.56 H new ATOM 0 HA LEU A 84 -6.984 -2.160 -2.554 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -6.762 -3.449 0.188 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -5.654 -2.280 -0.502 1.00 4.05 H new ATOM 0 HG LEU A 84 -8.523 -1.796 0.303 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -7.512 -0.290 1.991 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -6.984 -1.977 2.194 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -5.893 -0.787 1.445 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -8.155 0.579 -0.223 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -6.570 0.170 -0.923 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -8.060 -0.459 -1.665 1.00 3.49 H new ATOM 1277 N LYS A 85 -6.924 -5.301 -2.711 1.00 4.68 N ATOM 1278 CA LYS A 85 -6.165 -6.427 -3.207 1.00 5.28 C ATOM 1279 C LYS A 85 -5.722 -6.032 -4.621 1.00 6.06 C ATOM 1280 O LYS A 85 -6.343 -5.196 -5.275 1.00 6.40 O ATOM 1281 CB LYS A 85 -7.020 -7.748 -3.221 1.00 5.04 C ATOM 1282 CG LYS A 85 -6.238 -9.143 -3.094 1.00 5.59 C ATOM 1283 CD LYS A 85 -5.243 -9.420 -4.220 1.00 6.41 C ATOM 1284 CE LYS A 85 -4.674 -10.846 -4.232 1.00 7.19 C ATOM 1285 NZ LYS A 85 -3.645 -11.083 -3.199 1.00 8.04 N ATOM 0 H LYS A 85 -7.935 -5.434 -2.682 1.00 4.68 H new ATOM 0 HA LYS A 85 -5.312 -6.643 -2.564 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -7.739 -7.691 -2.404 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -7.592 -7.767 -4.148 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -5.705 -9.160 -2.143 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -6.968 -9.952 -3.065 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -5.733 -9.230 -5.175 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -4.417 -8.714 -4.139 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -5.490 -11.555 -4.089 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -4.245 -11.048 -5.213 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -3.644 -12.089 -2.934 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -2.710 -10.823 -3.574 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -3.855 -10.504 -2.361 1.00 8.04 H new ATOM 1299 N LYS A 86 -4.723 -6.638 -5.059 1.00 6.60 N ATOM 1300 CA LYS A 86 -4.115 -6.316 -6.303 1.00 7.50 C ATOM 1301 C LYS A 86 -3.947 -7.545 -7.151 1.00 8.13 C ATOM 1302 O LYS A 86 -4.618 -7.615 -8.212 1.00 8.62 O ATOM 1303 CB LYS A 86 -2.805 -5.519 -6.122 1.00 8.04 C ATOM 1304 CG LYS A 86 -1.756 -6.156 -5.197 1.00 8.96 C ATOM 1305 CD LYS A 86 -0.505 -5.287 -5.115 1.00 9.74 C ATOM 1306 CE LYS A 86 0.547 -5.870 -4.164 1.00 10.66 C ATOM 1307 NZ LYS A 86 0.078 -5.928 -2.746 1.00 11.10 N ATOM 1308 OXT LYS A 86 -3.220 -8.459 -6.725 1.00 8.37 O ATOM 0 H LYS A 86 -4.269 -7.405 -4.563 1.00 6.60 H new ATOM 0 HA LYS A 86 -4.787 -5.649 -6.843 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -2.354 -5.370 -7.103 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -3.054 -4.532 -5.732 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -2.177 -6.290 -4.201 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -1.492 -7.147 -5.567 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -0.073 -5.181 -6.110 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -0.781 -4.287 -4.779 1.00 9.74 H new ATOM 0 HE2 LYS A 86 0.813 -6.874 -4.495 1.00 10.66 H new ATOM 0 HE3 LYS A 86 1.453 -5.266 -4.218 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 0.870 -6.201 -2.129 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -0.278 -4.994 -2.460 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -0.685 -6.630 -2.661 1.00 11.10 H new TER 1322 LYS A 86