USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 869 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 8 HIS : no HE2:sc= -0.629 K(o=-0.63,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -37:sc= 0.74 USER MOD Single : A 16 ASN : amide:sc= -0.474 K(o=-0.47,f=-1.9!) USER MOD Single : A 24 HIS : no HD1:sc= 0.127 K(o=0.13,f=-1.3) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 118:sc= -3.59! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 168:sc= -0.571 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 170:sc= 0.012 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.303 K(o=-0.3,f=-3!) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 77 TYR OH : rot -155:sc= 1.41 USER MOD Single : A 82 TYR OH : rot 48:sc= -0.744 USER MOD Single : A 84 THR OG1 : rot -43:sc= 0.0953 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.46 K(o=-1.5,f=-6.1!) USER MOD Single : A 93 THR OG1 : rot 38:sc= -0.0278! USER MOD Single : A 95 SER OG : rot 180:sc= -0.011 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= -2.99 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 110 ASN : amide:sc= -0.26 K(o=-0.26,f=-4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 157:sc= -0.515 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 -4.462 4.981 13.043 1.00 1.37 N ATOM 40 CA GLU A 4 -4.522 3.540 13.422 1.00 1.14 C ATOM 41 C GLU A 4 -3.568 2.723 12.545 1.00 0.89 C ATOM 42 O GLU A 4 -3.169 3.150 11.480 1.00 1.30 O ATOM 43 CB GLU A 4 -5.970 3.125 13.169 1.00 1.67 C ATOM 44 CG GLU A 4 -6.673 2.888 14.507 1.00 2.39 C ATOM 45 CD GLU A 4 -5.641 2.470 15.558 1.00 2.65 C ATOM 46 OE1 GLU A 4 -4.606 3.111 15.631 1.00 3.05 O ATOM 47 OE2 GLU A 4 -5.905 1.514 16.270 1.00 3.09 O ATOM 0 HA GLU A 4 -4.225 3.372 14.457 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.489 3.901 12.606 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -6.000 2.218 12.565 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -7.186 3.795 14.826 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -7.432 2.113 14.399 1.00 2.39 H new ATOM 54 N GLU A 5 -3.201 1.550 12.985 1.00 1.00 N ATOM 55 CA GLU A 5 -2.273 0.705 12.173 1.00 0.81 C ATOM 56 C GLU A 5 -2.466 -0.772 12.504 1.00 0.87 C ATOM 57 O GLU A 5 -3.125 -1.128 13.460 1.00 1.15 O ATOM 58 CB GLU A 5 -0.848 1.142 12.540 1.00 0.95 C ATOM 59 CG GLU A 5 -0.716 1.344 14.055 1.00 1.46 C ATOM 60 CD GLU A 5 -0.510 2.831 14.353 1.00 1.82 C ATOM 61 OE1 GLU A 5 0.625 3.275 14.298 1.00 2.19 O ATOM 62 OE2 GLU A 5 -1.492 3.501 14.632 1.00 2.50 O ATOM 0 H GLU A 5 -3.502 1.139 13.869 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.466 0.831 11.108 1.00 0.81 H new ATOM 0 HB2 GLU A 5 -0.134 0.390 12.205 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.602 2.069 12.022 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.611 0.981 14.561 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.124 0.765 14.438 1.00 1.46 H new ATOM 69 N GLU A 6 -1.894 -1.632 11.710 1.00 0.79 N ATOM 70 CA GLU A 6 -2.041 -3.093 11.963 1.00 1.04 C ATOM 71 C GLU A 6 -0.727 -3.833 11.679 1.00 1.10 C ATOM 72 O GLU A 6 -0.164 -3.728 10.610 1.00 1.76 O ATOM 73 CB GLU A 6 -3.126 -3.541 10.989 1.00 1.28 C ATOM 74 CG GLU A 6 -4.481 -3.523 11.696 1.00 1.68 C ATOM 75 CD GLU A 6 -5.500 -4.315 10.874 1.00 1.97 C ATOM 76 OE1 GLU A 6 -5.523 -5.528 11.005 1.00 2.63 O ATOM 77 OE2 GLU A 6 -6.238 -3.695 10.127 1.00 2.24 O ATOM 0 H GLU A 6 -1.330 -1.387 10.896 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.296 -3.307 13.001 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -3.147 -2.881 10.122 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.909 -4.544 10.621 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.388 -3.955 12.693 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.822 -2.496 11.824 1.00 1.68 H new ATOM 84 N ASP A 7 -0.243 -4.592 12.627 1.00 1.27 N ATOM 85 CA ASP A 7 1.029 -5.355 12.414 1.00 1.35 C ATOM 86 C ASP A 7 2.112 -4.458 11.803 1.00 1.28 C ATOM 87 O ASP A 7 2.623 -4.727 10.733 1.00 2.01 O ATOM 88 CB ASP A 7 0.657 -6.477 11.444 1.00 1.53 C ATOM 89 CG ASP A 7 0.277 -7.731 12.235 1.00 1.92 C ATOM 90 OD1 ASP A 7 1.144 -8.273 12.900 1.00 2.57 O ATOM 91 OD2 ASP A 7 -0.875 -8.128 12.161 1.00 2.36 O ATOM 0 H ASP A 7 -0.673 -4.719 13.543 1.00 1.27 H new ATOM 0 HA ASP A 7 1.435 -5.734 13.352 1.00 1.35 H new ATOM 0 HB2 ASP A 7 -0.176 -6.166 10.813 1.00 1.53 H new ATOM 0 HB3 ASP A 7 1.495 -6.692 10.782 1.00 1.53 H new ATOM 96 N HIS A 8 2.470 -3.397 12.476 1.00 1.21 N ATOM 97 CA HIS A 8 3.522 -2.479 11.940 1.00 1.11 C ATOM 98 C HIS A 8 3.125 -1.936 10.562 1.00 0.81 C ATOM 99 O HIS A 8 3.943 -1.408 9.835 1.00 0.87 O ATOM 100 CB HIS A 8 4.791 -3.328 11.837 1.00 1.32 C ATOM 101 CG HIS A 8 5.965 -2.539 12.349 1.00 1.61 C ATOM 102 ND1 HIS A 8 6.096 -1.178 12.121 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.068 -2.905 13.080 1.00 2.02 C ATOM 104 CE1 HIS A 8 7.240 -0.778 12.704 1.00 2.53 C ATOM 105 NE2 HIS A 8 7.872 -1.791 13.303 1.00 2.33 N ATOM 0 H HIS A 8 2.079 -3.124 13.378 1.00 1.21 H new ATOM 0 HA HIS A 8 3.664 -1.613 12.586 1.00 1.11 H new ATOM 0 HB2 HIS A 8 4.676 -4.245 12.415 1.00 1.32 H new ATOM 0 HB3 HIS A 8 4.961 -3.623 10.802 1.00 1.32 H new ATOM 0 HD1 HIS A 8 5.444 -0.588 11.605 1.00 2.30 H new ATOM 0 HD2 HIS A 8 7.280 -3.905 13.429 1.00 2.02 H new ATOM 0 HE1 HIS A 8 7.604 0.239 12.690 1.00 2.53 H new ATOM 113 N VAL A 9 1.875 -2.045 10.202 1.00 0.69 N ATOM 114 CA VAL A 9 1.429 -1.517 8.879 1.00 0.49 C ATOM 115 C VAL A 9 0.305 -0.511 9.112 1.00 0.41 C ATOM 116 O VAL A 9 -0.224 -0.417 10.202 1.00 0.54 O ATOM 117 CB VAL A 9 0.927 -2.732 8.093 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.629 -2.318 6.652 1.00 0.88 C ATOM 119 CG2 VAL A 9 1.997 -3.827 8.091 1.00 0.89 C ATOM 0 H VAL A 9 1.143 -2.477 10.766 1.00 0.69 H new ATOM 0 HA VAL A 9 2.224 -1.010 8.333 1.00 0.49 H new ATOM 0 HB VAL A 9 0.020 -3.112 8.563 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.272 -3.182 6.092 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.135 -1.541 6.647 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.538 -1.935 6.188 1.00 0.88 H new ATOM 0 HG21 VAL A 9 1.635 -4.689 7.531 1.00 0.89 H new ATOM 0 HG22 VAL A 9 2.906 -3.447 7.624 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.213 -4.126 9.117 1.00 0.89 H new ATOM 129 N LEU A 10 -0.060 0.256 8.123 1.00 0.41 N ATOM 130 CA LEU A 10 -1.139 1.257 8.351 1.00 0.54 C ATOM 131 C LEU A 10 -2.435 0.870 7.655 1.00 0.42 C ATOM 132 O LEU A 10 -2.564 -0.169 7.035 1.00 0.59 O ATOM 133 CB LEU A 10 -0.621 2.564 7.765 1.00 0.83 C ATOM 134 CG LEU A 10 -0.797 3.687 8.786 1.00 0.96 C ATOM 135 CD1 LEU A 10 0.521 3.910 9.529 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.202 4.973 8.062 1.00 1.30 C ATOM 0 H LEU A 10 0.334 0.235 7.182 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.366 1.330 9.415 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.431 2.463 7.498 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -1.161 2.803 6.849 1.00 0.83 H new ATOM 0 HG LEU A 10 -1.573 3.413 9.500 1.00 0.96 H new ATOM 0 HD11 LEU A 10 0.397 4.711 10.258 1.00 1.49 H new ATOM 0 HD12 LEU A 10 0.808 2.993 10.043 1.00 1.49 H new ATOM 0 HD13 LEU A 10 1.298 4.185 8.816 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.328 5.775 8.789 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -0.426 5.249 7.348 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.141 4.812 7.533 1.00 1.30 H new ATOM 148 N VAL A 11 -3.386 1.738 7.764 1.00 0.54 N ATOM 149 CA VAL A 11 -4.715 1.518 7.134 1.00 0.46 C ATOM 150 C VAL A 11 -5.277 2.872 6.699 1.00 0.43 C ATOM 151 O VAL A 11 -4.962 3.892 7.279 1.00 0.54 O ATOM 152 CB VAL A 11 -5.574 0.893 8.235 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.587 1.814 9.456 1.00 1.39 C ATOM 154 CG2 VAL A 11 -7.004 0.697 7.726 1.00 1.04 C ATOM 0 H VAL A 11 -3.301 2.616 8.276 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.679 0.877 6.253 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.156 -0.074 8.513 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.199 1.369 10.241 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.569 1.948 9.822 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -6.002 2.782 9.177 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.613 0.252 8.513 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.425 1.662 7.444 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.994 0.038 6.858 1.00 1.04 H new ATOM 164 N LEU A 12 -6.085 2.903 5.677 1.00 0.40 N ATOM 165 CA LEU A 12 -6.629 4.212 5.218 1.00 0.45 C ATOM 166 C LEU A 12 -8.096 4.363 5.582 1.00 0.44 C ATOM 167 O LEU A 12 -8.674 3.568 6.297 1.00 0.58 O ATOM 168 CB LEU A 12 -6.468 4.203 3.698 1.00 0.63 C ATOM 169 CG LEU A 12 -5.584 5.373 3.240 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.280 5.408 4.047 1.00 0.82 C ATOM 171 CD2 LEU A 12 -5.251 5.193 1.759 1.00 1.16 C ATOM 0 H LEU A 12 -6.390 2.089 5.144 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.105 5.043 5.691 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.025 3.259 3.380 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -7.447 4.272 3.223 1.00 0.63 H new ATOM 0 HG LEU A 12 -6.122 6.308 3.398 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.666 6.243 3.710 1.00 0.82 H new ATOM 0 HD12 LEU A 12 -4.510 5.531 5.105 1.00 0.82 H new ATOM 0 HD13 LEU A 12 -3.736 4.475 3.900 1.00 0.82 H new ATOM 0 HD21 LEU A 12 -4.623 6.019 1.424 1.00 1.16 H new ATOM 0 HD22 LEU A 12 -4.719 4.252 1.617 1.00 1.16 H new ATOM 0 HD23 LEU A 12 -6.173 5.179 1.178 1.00 1.16 H new ATOM 183 N ARG A 13 -8.687 5.397 5.078 1.00 0.47 N ATOM 184 CA ARG A 13 -10.124 5.667 5.356 1.00 0.55 C ATOM 185 C ARG A 13 -10.659 6.699 4.362 1.00 0.54 C ATOM 186 O ARG A 13 -9.993 7.064 3.413 1.00 0.73 O ATOM 187 CB ARG A 13 -10.156 6.228 6.778 1.00 0.69 C ATOM 188 CG ARG A 13 -11.040 5.342 7.658 1.00 1.19 C ATOM 189 CD ARG A 13 -10.158 4.474 8.556 1.00 1.28 C ATOM 190 NE ARG A 13 -10.412 4.974 9.937 1.00 1.86 N ATOM 191 CZ ARG A 13 -9.472 5.604 10.587 1.00 2.30 C ATOM 192 NH1 ARG A 13 -8.319 5.027 10.790 1.00 2.84 N ATOM 193 NH2 ARG A 13 -9.684 6.813 11.032 1.00 2.68 N ATOM 0 H ARG A 13 -8.233 6.082 4.474 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.741 4.774 5.259 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -9.146 6.271 7.186 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -10.540 7.248 6.769 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -11.701 5.959 8.266 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.676 4.712 7.036 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -10.416 3.419 8.463 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -9.106 4.569 8.288 1.00 1.28 H new ATOM 0 HE ARG A 13 -11.321 4.824 10.374 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -8.152 4.083 10.441 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -7.585 5.520 11.298 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -10.584 7.265 10.872 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -8.949 7.306 11.540 1.00 2.68 H new ATOM 207 N LYS A 14 -11.853 7.175 4.571 1.00 0.58 N ATOM 208 CA LYS A 14 -12.423 8.186 3.638 1.00 0.63 C ATOM 209 C LYS A 14 -11.755 9.548 3.856 1.00 0.65 C ATOM 210 O LYS A 14 -11.822 10.423 3.015 1.00 0.83 O ATOM 211 CB LYS A 14 -13.908 8.251 3.988 1.00 0.74 C ATOM 212 CG LYS A 14 -14.721 7.575 2.882 1.00 1.26 C ATOM 213 CD LYS A 14 -16.209 7.644 3.230 1.00 1.92 C ATOM 214 CE LYS A 14 -16.458 6.919 4.554 1.00 2.26 C ATOM 215 NZ LYS A 14 -17.935 6.743 4.624 1.00 2.80 N ATOM 0 H LYS A 14 -12.459 6.908 5.347 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.262 7.922 2.593 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.090 7.757 4.942 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.221 9.289 4.102 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.536 8.067 1.927 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -14.410 6.536 2.770 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.527 8.684 3.307 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.800 7.187 2.436 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.944 5.958 4.581 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -16.089 7.501 5.398 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -18.185 6.252 5.506 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -18.397 7.675 4.603 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -18.256 6.179 3.811 1.00 2.80 H new ATOM 229 N SER A 15 -11.113 9.737 4.977 1.00 0.68 N ATOM 230 CA SER A 15 -10.445 11.046 5.244 1.00 0.88 C ATOM 231 C SER A 15 -8.941 10.854 5.486 1.00 0.81 C ATOM 232 O SER A 15 -8.246 11.779 5.858 1.00 1.05 O ATOM 233 CB SER A 15 -11.122 11.578 6.506 1.00 1.10 C ATOM 234 OG SER A 15 -10.538 12.822 6.867 1.00 1.68 O ATOM 0 H SER A 15 -11.021 9.044 5.719 1.00 0.68 H new ATOM 0 HA SER A 15 -10.538 11.730 4.401 1.00 0.88 H new ATOM 0 HB2 SER A 15 -12.191 11.702 6.333 1.00 1.10 H new ATOM 0 HB3 SER A 15 -11.012 10.862 7.320 1.00 1.10 H new ATOM 0 HG SER A 15 -9.575 12.796 6.685 1.00 1.68 H new ATOM 240 N ASN A 16 -8.432 9.668 5.284 1.00 0.65 N ATOM 241 CA ASN A 16 -6.975 9.435 5.509 1.00 0.68 C ATOM 242 C ASN A 16 -6.224 9.433 4.178 1.00 0.55 C ATOM 243 O ASN A 16 -5.071 9.808 4.101 1.00 0.56 O ATOM 244 CB ASN A 16 -6.893 8.052 6.152 1.00 0.87 C ATOM 245 CG ASN A 16 -7.131 8.161 7.656 1.00 0.91 C ATOM 246 OD1 ASN A 16 -7.361 9.236 8.173 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.084 7.081 8.384 1.00 0.98 N ATOM 0 H ASN A 16 -8.960 8.852 4.974 1.00 0.65 H new ATOM 0 HA ASN A 16 -6.529 10.212 6.130 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -7.634 7.390 5.705 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -5.915 7.611 5.961 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.241 7.137 9.390 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.891 6.180 7.947 1.00 0.98 H new ATOM 254 N PHE A 17 -6.868 9.000 3.132 1.00 0.55 N ATOM 255 CA PHE A 17 -6.198 8.953 1.801 1.00 0.51 C ATOM 256 C PHE A 17 -5.506 10.288 1.487 1.00 0.46 C ATOM 257 O PHE A 17 -4.296 10.369 1.437 1.00 0.52 O ATOM 258 CB PHE A 17 -7.327 8.678 0.807 1.00 0.56 C ATOM 259 CG PHE A 17 -6.734 8.283 -0.519 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.075 9.235 -1.303 1.00 0.79 C ATOM 261 CD2 PHE A 17 -6.848 6.963 -0.966 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.528 8.868 -2.537 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.303 6.595 -2.199 1.00 0.89 C ATOM 264 CZ PHE A 17 -5.623 7.551 -2.979 1.00 0.87 C ATOM 0 H PHE A 17 -7.835 8.675 3.140 1.00 0.55 H new ATOM 0 HA PHE A 17 -5.419 8.192 1.761 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -7.972 7.883 1.182 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -7.949 9.565 0.691 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -5.988 10.254 -0.956 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -7.357 6.229 -0.359 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.031 9.607 -3.148 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.403 5.580 -2.553 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.176 7.263 -3.919 1.00 0.87 H new ATOM 274 N ALA A 18 -6.262 11.330 1.272 1.00 0.52 N ATOM 275 CA ALA A 18 -5.642 12.652 0.960 1.00 0.66 C ATOM 276 C ALA A 18 -4.588 13.008 2.013 1.00 0.59 C ATOM 277 O ALA A 18 -3.630 13.702 1.737 1.00 0.75 O ATOM 278 CB ALA A 18 -6.799 13.650 1.002 1.00 0.84 C ATOM 0 H ALA A 18 -7.282 11.324 1.299 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.136 12.652 -0.005 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -6.425 14.650 0.782 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.547 13.371 0.260 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.251 13.642 1.994 1.00 0.84 H new ATOM 284 N GLU A 19 -4.757 12.534 3.215 1.00 0.46 N ATOM 285 CA GLU A 19 -3.765 12.841 4.284 1.00 0.49 C ATOM 286 C GLU A 19 -2.490 12.034 4.054 1.00 0.48 C ATOM 287 O GLU A 19 -1.417 12.578 3.885 1.00 0.56 O ATOM 288 CB GLU A 19 -4.443 12.412 5.584 1.00 0.55 C ATOM 289 CG GLU A 19 -3.574 12.823 6.773 1.00 0.69 C ATOM 290 CD GLU A 19 -3.949 11.983 7.996 1.00 1.04 C ATOM 291 OE1 GLU A 19 -5.122 11.685 8.148 1.00 1.66 O ATOM 292 OE2 GLU A 19 -3.056 11.653 8.760 1.00 1.78 O ATOM 0 H GLU A 19 -5.539 11.947 3.504 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.481 13.893 4.302 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.427 12.874 5.663 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -4.596 11.333 5.588 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -2.520 12.683 6.532 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.713 13.882 6.990 1.00 0.69 H new ATOM 299 N ALA A 20 -2.602 10.734 4.039 1.00 0.45 N ATOM 300 CA ALA A 20 -1.399 9.881 3.812 1.00 0.53 C ATOM 301 C ALA A 20 -0.641 10.359 2.571 1.00 0.57 C ATOM 302 O ALA A 20 0.570 10.459 2.567 1.00 0.71 O ATOM 303 CB ALA A 20 -1.950 8.471 3.599 1.00 0.57 C ATOM 0 H ALA A 20 -3.475 10.224 4.174 1.00 0.45 H new ATOM 0 HA ALA A 20 -0.698 9.921 4.645 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.125 7.780 3.425 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.503 8.159 4.485 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.615 8.467 2.735 1.00 0.57 H new ATOM 309 N LEU A 21 -1.350 10.665 1.521 1.00 0.55 N ATOM 310 CA LEU A 21 -0.681 11.146 0.275 1.00 0.69 C ATOM 311 C LEU A 21 0.286 12.286 0.604 1.00 0.75 C ATOM 312 O LEU A 21 1.313 12.447 -0.026 1.00 0.92 O ATOM 313 CB LEU A 21 -1.822 11.644 -0.617 1.00 0.74 C ATOM 314 CG LEU A 21 -2.174 10.582 -1.667 1.00 0.84 C ATOM 315 CD1 LEU A 21 -1.007 10.417 -2.643 1.00 1.44 C ATOM 316 CD2 LEU A 21 -2.462 9.241 -0.982 1.00 0.90 C ATOM 0 H LEU A 21 -2.367 10.603 1.469 1.00 0.55 H new ATOM 0 HA LEU A 21 -0.096 10.366 -0.212 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.698 11.869 -0.008 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -1.530 12.571 -1.110 1.00 0.74 H new ATOM 0 HG LEU A 21 -3.062 10.903 -2.212 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -1.259 9.662 -3.388 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.812 11.367 -3.141 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -0.117 10.104 -2.097 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -2.711 8.494 -1.735 1.00 0.90 H new ATOM 0 HD22 LEU A 21 -1.580 8.918 -0.428 1.00 0.90 H new ATOM 0 HD23 LEU A 21 -3.300 9.356 -0.295 1.00 0.90 H new ATOM 328 N ALA A 22 -0.033 13.071 1.594 1.00 0.71 N ATOM 329 CA ALA A 22 0.865 14.196 1.978 1.00 0.85 C ATOM 330 C ALA A 22 1.335 14.013 3.423 1.00 0.89 C ATOM 331 O ALA A 22 1.705 14.957 4.092 1.00 1.08 O ATOM 332 CB ALA A 22 0.005 15.452 1.846 1.00 1.00 C ATOM 0 H ALA A 22 -0.880 12.982 2.156 1.00 0.71 H new ATOM 0 HA ALA A 22 1.757 14.251 1.354 1.00 0.85 H new ATOM 0 HB1 ALA A 22 0.597 16.328 2.113 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -0.343 15.548 0.817 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -0.853 15.377 2.514 1.00 1.00 H new ATOM 338 N ALA A 23 1.318 12.801 3.909 1.00 0.86 N ATOM 339 CA ALA A 23 1.759 12.550 5.311 1.00 0.93 C ATOM 340 C ALA A 23 3.181 11.979 5.328 1.00 0.85 C ATOM 341 O ALA A 23 4.006 12.372 6.129 1.00 0.95 O ATOM 342 CB ALA A 23 0.762 11.527 5.858 1.00 1.05 C ATOM 0 H ALA A 23 1.017 11.973 3.395 1.00 0.86 H new ATOM 0 HA ALA A 23 1.780 13.462 5.908 1.00 0.93 H new ATOM 0 HB1 ALA A 23 1.017 11.287 6.890 1.00 1.05 H new ATOM 0 HB2 ALA A 23 -0.245 11.944 5.820 1.00 1.05 H new ATOM 0 HB3 ALA A 23 0.802 10.621 5.254 1.00 1.05 H new ATOM 348 N HIS A 24 3.476 11.059 4.450 1.00 0.83 N ATOM 349 CA HIS A 24 4.848 10.471 4.422 1.00 0.84 C ATOM 350 C HIS A 24 5.350 10.354 2.979 1.00 0.82 C ATOM 351 O HIS A 24 6.018 9.406 2.615 1.00 1.30 O ATOM 352 CB HIS A 24 4.703 9.089 5.061 1.00 0.95 C ATOM 353 CG HIS A 24 5.396 9.082 6.397 1.00 1.22 C ATOM 354 ND1 HIS A 24 4.703 9.230 7.589 1.00 1.80 N ATOM 355 CD2 HIS A 24 6.717 8.951 6.745 1.00 1.84 C ATOM 356 CE1 HIS A 24 5.603 9.185 8.588 1.00 2.04 C ATOM 357 NE2 HIS A 24 6.846 9.017 8.129 1.00 2.00 N ATOM 0 H HIS A 24 2.830 10.689 3.753 1.00 0.83 H new ATOM 0 HA HIS A 24 5.571 11.089 4.954 1.00 0.84 H new ATOM 0 HB2 HIS A 24 3.649 8.842 5.184 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.135 8.328 4.411 1.00 0.95 H new ATOM 0 HD2 HIS A 24 7.533 8.817 6.050 1.00 1.84 H new ATOM 0 HE1 HIS A 24 5.351 9.274 9.634 1.00 2.04 H new ATOM 0 HE2 HIS A 24 7.705 8.951 8.675 1.00 2.00 H new ATOM 365 N LYS A 25 5.038 11.321 2.159 1.00 0.72 N ATOM 366 CA LYS A 25 5.497 11.292 0.739 1.00 0.69 C ATOM 367 C LYS A 25 5.077 9.987 0.044 1.00 0.59 C ATOM 368 O LYS A 25 4.036 9.918 -0.579 1.00 0.68 O ATOM 369 CB LYS A 25 7.022 11.408 0.810 1.00 0.81 C ATOM 370 CG LYS A 25 7.409 12.823 1.243 1.00 1.20 C ATOM 371 CD LYS A 25 8.706 13.231 0.541 1.00 1.51 C ATOM 372 CE LYS A 25 9.742 13.653 1.585 1.00 2.06 C ATOM 373 NZ LYS A 25 10.743 14.454 0.828 1.00 2.47 N ATOM 0 H LYS A 25 4.481 12.136 2.413 1.00 0.72 H new ATOM 0 HA LYS A 25 5.053 12.098 0.155 1.00 0.69 H new ATOM 0 HB2 LYS A 25 7.420 10.679 1.516 1.00 0.81 H new ATOM 0 HB3 LYS A 25 7.460 11.182 -0.162 1.00 0.81 H new ATOM 0 HG2 LYS A 25 6.611 13.523 0.993 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.540 12.862 2.324 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.089 12.399 -0.051 1.00 1.51 H new ATOM 0 HD3 LYS A 25 8.515 14.052 -0.150 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.285 14.242 2.380 1.00 2.06 H new ATOM 0 HE3 LYS A 25 10.204 12.786 2.056 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.488 14.780 1.476 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.166 13.866 0.082 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 10.275 15.276 0.396 1.00 2.47 H new ATOM 387 N TYR A 26 5.881 8.960 0.130 1.00 0.52 N ATOM 388 CA TYR A 26 5.531 7.671 -0.538 1.00 0.48 C ATOM 389 C TYR A 26 4.571 6.853 0.334 1.00 0.46 C ATOM 390 O TYR A 26 4.926 6.402 1.405 1.00 0.53 O ATOM 391 CB TYR A 26 6.864 6.938 -0.690 1.00 0.56 C ATOM 392 CG TYR A 26 7.836 7.796 -1.466 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.403 8.477 -2.610 1.00 0.75 C ATOM 394 CD2 TYR A 26 9.166 7.914 -1.041 1.00 1.08 C ATOM 395 CE1 TYR A 26 8.299 9.276 -3.330 1.00 0.87 C ATOM 396 CE2 TYR A 26 10.062 8.713 -1.762 1.00 1.31 C ATOM 397 CZ TYR A 26 9.646 9.377 -2.903 1.00 1.08 C ATOM 398 OH TYR A 26 10.511 10.183 -3.615 1.00 1.33 O ATOM 0 H TYR A 26 6.767 8.958 0.635 1.00 0.52 H new ATOM 0 HA TYR A 26 5.030 7.827 -1.494 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.275 6.705 0.292 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.711 5.990 -1.205 1.00 0.56 H new ATOM 0 HD1 TYR A 26 6.378 8.386 -2.937 1.00 0.75 H new ATOM 0 HD2 TYR A 26 9.500 7.389 -0.158 1.00 1.08 H new ATOM 0 HE1 TYR A 26 7.965 9.812 -4.206 1.00 0.87 H new ATOM 0 HE2 TYR A 26 11.084 8.812 -1.426 1.00 1.31 H new ATOM 0 HH TYR A 26 11.400 10.153 -3.203 1.00 1.33 H new ATOM 408 N LEU A 27 3.359 6.655 -0.116 1.00 0.46 N ATOM 409 CA LEU A 27 2.386 5.861 0.691 1.00 0.45 C ATOM 410 C LEU A 27 1.823 4.708 -0.138 1.00 0.40 C ATOM 411 O LEU A 27 1.142 4.914 -1.121 1.00 0.50 O ATOM 412 CB LEU A 27 1.255 6.831 1.052 1.00 0.51 C ATOM 413 CG LEU A 27 1.654 7.705 2.244 1.00 0.77 C ATOM 414 CD1 LEU A 27 2.080 6.828 3.424 1.00 0.66 C ATOM 415 CD2 LEU A 27 2.807 8.617 1.834 1.00 1.93 C ATOM 0 H LEU A 27 3.002 7.007 -1.004 1.00 0.46 H new ATOM 0 HA LEU A 27 2.860 5.434 1.575 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.022 7.461 0.194 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.351 6.271 1.291 1.00 0.51 H new ATOM 0 HG LEU A 27 0.799 8.309 2.549 1.00 0.77 H new ATOM 0 HD11 LEU A 27 2.361 7.461 4.265 1.00 0.66 H new ATOM 0 HD12 LEU A 27 1.251 6.184 3.716 1.00 0.66 H new ATOM 0 HD13 LEU A 27 2.932 6.214 3.132 1.00 0.66 H new ATOM 0 HD21 LEU A 27 3.095 9.242 2.679 1.00 1.93 H new ATOM 0 HD22 LEU A 27 3.658 8.011 1.524 1.00 1.93 H new ATOM 0 HD23 LEU A 27 2.492 9.251 1.005 1.00 1.93 H new ATOM 427 N LEU A 28 2.085 3.495 0.255 1.00 0.33 N ATOM 428 CA LEU A 28 1.541 2.343 -0.511 1.00 0.32 C ATOM 429 C LEU A 28 0.176 1.949 0.055 1.00 0.29 C ATOM 430 O LEU A 28 0.016 1.768 1.246 1.00 0.35 O ATOM 431 CB LEU A 28 2.549 1.215 -0.315 1.00 0.40 C ATOM 432 CG LEU A 28 2.094 0.001 -1.120 1.00 0.53 C ATOM 433 CD1 LEU A 28 2.347 0.263 -2.605 1.00 0.73 C ATOM 434 CD2 LEU A 28 2.876 -1.233 -0.668 1.00 1.12 C ATOM 0 H LEU A 28 2.649 3.252 1.069 1.00 0.33 H new ATOM 0 HA LEU A 28 1.401 2.574 -1.567 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.539 1.534 -0.640 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.628 0.959 0.742 1.00 0.40 H new ATOM 0 HG LEU A 28 1.030 -0.173 -0.958 1.00 0.53 H new ATOM 0 HD11 LEU A 28 2.024 -0.600 -3.187 1.00 0.73 H new ATOM 0 HD12 LEU A 28 1.786 1.143 -2.920 1.00 0.73 H new ATOM 0 HD13 LEU A 28 3.411 0.433 -2.768 1.00 0.73 H new ATOM 0 HD21 LEU A 28 2.551 -2.100 -1.243 1.00 1.12 H new ATOM 0 HD22 LEU A 28 3.941 -1.068 -0.830 1.00 1.12 H new ATOM 0 HD23 LEU A 28 2.694 -1.411 0.392 1.00 1.12 H new ATOM 446 N VAL A 29 -0.813 1.827 -0.785 1.00 0.32 N ATOM 447 CA VAL A 29 -2.168 1.458 -0.284 1.00 0.32 C ATOM 448 C VAL A 29 -2.653 0.165 -0.945 1.00 0.34 C ATOM 449 O VAL A 29 -2.494 -0.035 -2.134 1.00 0.47 O ATOM 450 CB VAL A 29 -3.065 2.632 -0.678 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.464 2.420 -0.102 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.482 3.934 -0.122 1.00 0.77 C ATOM 0 H VAL A 29 -0.744 1.966 -1.793 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.174 1.279 0.791 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.121 2.693 -1.765 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.104 3.257 -0.383 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -4.883 1.494 -0.496 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.404 2.357 0.985 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.123 4.769 -0.404 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.424 3.872 0.965 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.483 4.089 -0.530 1.00 0.77 H new ATOM 462 N GLU A 30 -3.248 -0.712 -0.184 1.00 0.32 N ATOM 463 CA GLU A 30 -3.749 -1.991 -0.765 1.00 0.39 C ATOM 464 C GLU A 30 -5.254 -2.126 -0.510 1.00 0.36 C ATOM 465 O GLU A 30 -5.708 -2.083 0.616 1.00 0.42 O ATOM 466 CB GLU A 30 -2.975 -3.091 -0.035 1.00 0.52 C ATOM 467 CG GLU A 30 -3.516 -4.462 -0.448 1.00 0.64 C ATOM 468 CD GLU A 30 -2.586 -5.558 0.074 1.00 0.89 C ATOM 469 OE1 GLU A 30 -1.421 -5.266 0.289 1.00 1.60 O ATOM 470 OE2 GLU A 30 -3.053 -6.671 0.251 1.00 1.48 O ATOM 0 H GLU A 30 -3.409 -0.598 0.817 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.602 -2.044 -1.844 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -1.914 -3.021 -0.273 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.069 -2.962 1.043 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.521 -4.603 -0.049 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.592 -4.522 -1.534 1.00 0.64 H new ATOM 477 N PHE A 31 -6.028 -2.286 -1.547 1.00 0.35 N ATOM 478 CA PHE A 31 -7.501 -2.420 -1.367 1.00 0.36 C ATOM 479 C PHE A 31 -7.914 -3.893 -1.444 1.00 0.39 C ATOM 480 O PHE A 31 -7.729 -4.544 -2.453 1.00 0.49 O ATOM 481 CB PHE A 31 -8.104 -1.638 -2.533 1.00 0.41 C ATOM 482 CG PHE A 31 -7.867 -0.160 -2.331 1.00 0.38 C ATOM 483 CD1 PHE A 31 -6.651 0.413 -2.724 1.00 0.45 C ATOM 484 CD2 PHE A 31 -8.861 0.637 -1.754 1.00 0.53 C ATOM 485 CE1 PHE A 31 -6.431 1.783 -2.540 1.00 0.52 C ATOM 486 CE2 PHE A 31 -8.641 2.007 -1.569 1.00 0.59 C ATOM 487 CZ PHE A 31 -7.426 2.580 -1.963 1.00 0.53 C ATOM 0 H PHE A 31 -5.704 -2.330 -2.513 1.00 0.35 H new ATOM 0 HA PHE A 31 -7.837 -2.047 -0.399 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.656 -1.963 -3.472 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.173 -1.838 -2.604 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -5.883 -0.202 -3.169 1.00 0.45 H new ATOM 0 HD2 PHE A 31 -9.799 0.195 -1.451 1.00 0.53 H new ATOM 0 HE1 PHE A 31 -5.493 2.225 -2.843 1.00 0.52 H new ATOM 0 HE2 PHE A 31 -9.408 2.622 -1.122 1.00 0.59 H new ATOM 0 HZ PHE A 31 -7.257 3.637 -1.822 1.00 0.53 H new ATOM 497 N TYR A 32 -8.473 -4.427 -0.391 1.00 0.37 N ATOM 498 CA TYR A 32 -8.892 -5.860 -0.429 1.00 0.44 C ATOM 499 C TYR A 32 -10.173 -6.073 0.382 1.00 0.40 C ATOM 500 O TYR A 32 -10.861 -5.138 0.740 1.00 0.45 O ATOM 501 CB TYR A 32 -7.732 -6.639 0.193 1.00 0.54 C ATOM 502 CG TYR A 32 -7.555 -6.231 1.637 1.00 0.54 C ATOM 503 CD1 TYR A 32 -7.037 -4.967 1.947 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.907 -7.114 2.665 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.872 -4.586 3.284 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.742 -6.733 4.002 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.228 -5.478 4.315 1.00 0.77 C ATOM 508 OH TYR A 32 -7.062 -5.094 5.630 1.00 0.94 O ATOM 0 H TYR A 32 -8.657 -3.940 0.486 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.106 -6.189 -1.446 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.926 -7.710 0.130 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.814 -6.448 -0.363 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.765 -4.286 1.154 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.306 -8.089 2.427 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.473 -3.612 3.524 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.015 -7.415 4.793 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.354 -5.818 6.222 1.00 0.94 H new ATOM 518 N ALA A 33 -10.491 -7.304 0.673 1.00 0.40 N ATOM 519 CA ALA A 33 -11.722 -7.595 1.461 1.00 0.44 C ATOM 520 C ALA A 33 -11.454 -8.738 2.446 1.00 0.53 C ATOM 521 O ALA A 33 -10.496 -9.471 2.293 1.00 0.56 O ATOM 522 CB ALA A 33 -12.764 -8.015 0.424 1.00 0.49 C ATOM 0 H ALA A 33 -9.950 -8.124 0.398 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.054 -6.738 2.047 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.703 -8.247 0.926 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -12.922 -7.201 -0.283 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.410 -8.897 -0.111 1.00 0.49 H new ATOM 528 N PRO A 34 -12.313 -8.863 3.427 1.00 0.63 N ATOM 529 CA PRO A 34 -12.159 -9.941 4.435 1.00 0.78 C ATOM 530 C PRO A 34 -12.427 -11.310 3.799 1.00 0.82 C ATOM 531 O PRO A 34 -12.057 -12.336 4.336 1.00 0.96 O ATOM 532 CB PRO A 34 -13.214 -9.606 5.486 1.00 0.90 C ATOM 533 CG PRO A 34 -14.238 -8.798 4.754 1.00 0.81 C ATOM 534 CD PRO A 34 -13.502 -8.036 3.686 1.00 0.66 C ATOM 0 HA PRO A 34 -11.155 -9.996 4.855 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.652 -10.510 5.909 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.783 -9.043 6.314 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.999 -9.443 4.315 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.751 -8.116 5.432 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.109 -7.915 2.789 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.229 -7.036 4.023 1.00 0.66 H new ATOM 542 N TRP A 35 -13.065 -11.334 2.659 1.00 0.74 N ATOM 543 CA TRP A 35 -13.353 -12.639 1.995 1.00 0.83 C ATOM 544 C TRP A 35 -12.551 -12.778 0.693 1.00 0.78 C ATOM 545 O TRP A 35 -12.760 -13.697 -0.073 1.00 0.92 O ATOM 546 CB TRP A 35 -14.853 -12.609 1.700 1.00 0.91 C ATOM 547 CG TRP A 35 -15.167 -11.444 0.816 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.565 -10.226 1.248 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.117 -11.366 -0.639 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.762 -9.405 0.152 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.500 -10.062 -1.033 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.781 -12.291 -1.645 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.547 -9.688 -2.376 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.829 -11.917 -2.999 1.00 2.36 C ATOM 555 CH2 TRP A 35 -15.211 -10.618 -3.363 1.00 2.26 C ATOM 0 H TRP A 35 -13.398 -10.509 2.160 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.073 -13.485 2.622 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.158 -13.537 1.217 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.416 -12.534 2.631 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.706 -9.941 2.280 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -16.064 -8.433 0.212 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.485 -13.294 -1.375 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.841 -8.686 -2.651 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.570 -12.634 -3.764 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -15.245 -10.337 -4.405 1.00 2.26 H new ATOM 566 N CYS A 36 -11.638 -11.878 0.431 1.00 0.65 N ATOM 567 CA CYS A 36 -10.838 -11.980 -0.825 1.00 0.67 C ATOM 568 C CYS A 36 -10.182 -13.362 -0.925 1.00 0.84 C ATOM 569 O CYS A 36 -9.872 -13.985 0.070 1.00 1.63 O ATOM 570 CB CYS A 36 -9.773 -10.888 -0.704 1.00 0.58 C ATOM 571 SG CYS A 36 -8.672 -10.949 -2.139 1.00 1.07 S ATOM 0 H CYS A 36 -11.413 -11.082 1.028 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.451 -11.855 -1.717 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.248 -9.909 -0.639 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.200 -11.026 0.213 1.00 0.58 H new ATOM 576 N GLY A 37 -9.970 -13.843 -2.121 1.00 0.96 N ATOM 577 CA GLY A 37 -9.336 -15.182 -2.287 1.00 1.08 C ATOM 578 C GLY A 37 -7.843 -15.005 -2.572 1.00 1.00 C ATOM 579 O GLY A 37 -7.431 -14.054 -3.206 1.00 1.83 O ATOM 0 H GLY A 37 -10.209 -13.366 -2.990 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.477 -15.778 -1.385 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -9.812 -15.723 -3.105 1.00 1.08 H new ATOM 583 N HIS A 38 -7.026 -15.914 -2.104 1.00 0.89 N ATOM 584 CA HIS A 38 -5.555 -15.799 -2.344 1.00 0.97 C ATOM 585 C HIS A 38 -5.032 -14.459 -1.819 1.00 0.88 C ATOM 586 O HIS A 38 -3.974 -14.002 -2.202 1.00 1.13 O ATOM 587 CB HIS A 38 -5.390 -15.872 -3.860 1.00 1.32 C ATOM 588 CG HIS A 38 -4.114 -16.594 -4.197 1.00 1.72 C ATOM 589 ND1 HIS A 38 -3.448 -16.399 -5.397 1.00 2.39 N ATOM 590 CD2 HIS A 38 -3.369 -17.513 -3.500 1.00 2.35 C ATOM 591 CE1 HIS A 38 -2.355 -17.182 -5.386 1.00 2.85 C ATOM 592 NE2 HIS A 38 -2.259 -17.883 -4.253 1.00 2.87 N ATOM 0 H HIS A 38 -7.314 -16.731 -1.566 1.00 0.89 H new ATOM 0 HA HIS A 38 -4.997 -16.583 -1.832 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -6.240 -16.390 -4.303 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.373 -14.867 -4.282 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -3.608 -17.891 -2.517 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -1.641 -17.237 -6.195 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -1.529 -18.547 -3.995 1.00 2.87 H new ATOM 600 N CYS A 39 -5.765 -13.829 -0.945 1.00 0.79 N ATOM 601 CA CYS A 39 -5.310 -12.521 -0.395 1.00 0.88 C ATOM 602 C CYS A 39 -4.508 -12.745 0.887 1.00 0.82 C ATOM 603 O CYS A 39 -3.590 -12.010 1.195 1.00 1.00 O ATOM 604 CB CYS A 39 -6.596 -11.748 -0.099 1.00 1.08 C ATOM 605 SG CYS A 39 -6.859 -10.501 -1.383 1.00 1.00 S ATOM 0 H CYS A 39 -6.660 -14.163 -0.587 1.00 0.79 H new ATOM 0 HA CYS A 39 -4.663 -11.981 -1.086 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.444 -12.432 -0.062 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.529 -11.270 0.879 1.00 1.08 H new ATOM 610 N LYS A 40 -4.847 -13.757 1.637 1.00 0.78 N ATOM 611 CA LYS A 40 -4.104 -14.031 2.900 1.00 0.94 C ATOM 612 C LYS A 40 -2.687 -14.519 2.583 1.00 0.84 C ATOM 613 O LYS A 40 -1.773 -14.359 3.370 1.00 0.94 O ATOM 614 CB LYS A 40 -4.910 -15.123 3.611 1.00 1.21 C ATOM 615 CG LYS A 40 -4.896 -16.409 2.780 1.00 1.56 C ATOM 616 CD LYS A 40 -5.973 -17.365 3.303 1.00 2.11 C ATOM 617 CE LYS A 40 -5.727 -18.769 2.746 1.00 2.72 C ATOM 618 NZ LYS A 40 -5.806 -19.671 3.927 1.00 3.29 N ATOM 0 H LYS A 40 -5.606 -14.406 1.430 1.00 0.78 H new ATOM 0 HA LYS A 40 -4.000 -13.141 3.520 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.488 -15.313 4.598 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.936 -14.789 3.762 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -5.077 -16.179 1.730 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -3.916 -16.882 2.838 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -5.956 -17.387 4.393 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.961 -17.013 3.007 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -6.474 -19.033 1.997 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -4.753 -18.837 2.262 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -5.647 -20.653 3.625 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -5.079 -19.400 4.620 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -6.747 -19.591 4.363 1.00 3.29 H new ATOM 632 N ALA A 41 -2.496 -15.111 1.436 1.00 0.77 N ATOM 633 CA ALA A 41 -1.137 -15.605 1.069 1.00 0.86 C ATOM 634 C ALA A 41 -0.142 -14.440 1.016 1.00 0.75 C ATOM 635 O ALA A 41 1.056 -14.637 1.055 1.00 0.90 O ATOM 636 CB ALA A 41 -1.304 -16.231 -0.316 1.00 0.93 C ATOM 0 H ALA A 41 -3.221 -15.274 0.737 1.00 0.77 H new ATOM 0 HA ALA A 41 -0.749 -16.318 1.796 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.345 -16.619 -0.658 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.027 -17.045 -0.263 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.660 -15.475 -1.016 1.00 0.93 H new ATOM 642 N LEU A 42 -0.626 -13.231 0.924 1.00 0.65 N ATOM 643 CA LEU A 42 0.300 -12.061 0.867 1.00 0.67 C ATOM 644 C LEU A 42 0.151 -11.204 2.129 1.00 0.63 C ATOM 645 O LEU A 42 0.498 -10.040 2.145 1.00 0.70 O ATOM 646 CB LEU A 42 -0.136 -11.277 -0.371 1.00 0.82 C ATOM 647 CG LEU A 42 0.981 -10.318 -0.787 1.00 0.86 C ATOM 648 CD1 LEU A 42 1.932 -11.029 -1.754 1.00 1.24 C ATOM 649 CD2 LEU A 42 0.371 -9.098 -1.479 1.00 1.37 C ATOM 0 H LEU A 42 -1.619 -13.002 0.886 1.00 0.65 H new ATOM 0 HA LEU A 42 1.346 -12.362 0.813 1.00 0.67 H new ATOM 0 HB2 LEU A 42 -0.364 -11.963 -1.187 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -1.048 -10.719 -0.159 1.00 0.82 H new ATOM 0 HG LEU A 42 1.534 -9.999 0.097 1.00 0.86 H new ATOM 0 HD11 LEU A 42 2.728 -10.345 -2.050 1.00 1.24 H new ATOM 0 HD12 LEU A 42 2.366 -11.900 -1.263 1.00 1.24 H new ATOM 0 HD13 LEU A 42 1.380 -11.348 -2.638 1.00 1.24 H new ATOM 0 HD21 LEU A 42 1.165 -8.413 -1.776 1.00 1.37 H new ATOM 0 HD22 LEU A 42 -0.181 -9.419 -2.362 1.00 1.37 H new ATOM 0 HD23 LEU A 42 -0.307 -8.591 -0.792 1.00 1.37 H new ATOM 661 N ALA A 43 -0.364 -11.773 3.184 1.00 0.71 N ATOM 662 CA ALA A 43 -0.539 -10.997 4.445 1.00 0.73 C ATOM 663 C ALA A 43 0.807 -10.812 5.161 1.00 0.67 C ATOM 664 O ALA A 43 1.203 -9.699 5.442 1.00 0.65 O ATOM 665 CB ALA A 43 -1.488 -11.840 5.297 1.00 0.88 C ATOM 0 H ALA A 43 -0.672 -12.744 3.228 1.00 0.71 H new ATOM 0 HA ALA A 43 -0.931 -9.997 4.258 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -1.669 -11.336 6.247 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.433 -11.970 4.769 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.040 -12.816 5.483 1.00 0.88 H new ATOM 671 N PRO A 44 1.469 -11.911 5.443 1.00 0.69 N ATOM 672 CA PRO A 44 2.777 -11.844 6.142 1.00 0.70 C ATOM 673 C PRO A 44 3.881 -11.331 5.206 1.00 0.59 C ATOM 674 O PRO A 44 5.008 -11.138 5.617 1.00 0.65 O ATOM 675 CB PRO A 44 3.042 -13.287 6.555 1.00 0.83 C ATOM 676 CG PRO A 44 2.257 -14.119 5.589 1.00 0.84 C ATOM 677 CD PRO A 44 1.071 -13.298 5.153 1.00 0.76 C ATOM 0 HA PRO A 44 2.765 -11.157 6.988 1.00 0.70 H new ATOM 0 HB2 PRO A 44 4.105 -13.523 6.505 1.00 0.83 H new ATOM 0 HB3 PRO A 44 2.723 -13.468 7.581 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.871 -14.394 4.731 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.931 -15.047 6.058 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.857 -13.438 4.093 1.00 0.76 H new ATOM 0 HD3 PRO A 44 0.170 -13.577 5.700 1.00 0.76 H new ATOM 685 N GLU A 45 3.570 -11.093 3.960 1.00 0.53 N ATOM 686 CA GLU A 45 4.608 -10.581 3.022 1.00 0.46 C ATOM 687 C GLU A 45 4.445 -9.069 2.885 1.00 0.41 C ATOM 688 O GLU A 45 5.401 -8.333 2.743 1.00 0.47 O ATOM 689 CB GLU A 45 4.330 -11.281 1.691 1.00 0.48 C ATOM 690 CG GLU A 45 4.319 -12.797 1.901 1.00 0.61 C ATOM 691 CD GLU A 45 2.877 -13.307 1.856 1.00 1.12 C ATOM 692 OE1 GLU A 45 2.264 -13.201 0.807 1.00 1.90 O ATOM 693 OE2 GLU A 45 2.410 -13.794 2.872 1.00 1.83 O ATOM 0 H GLU A 45 2.645 -11.231 3.553 1.00 0.53 H new ATOM 0 HA GLU A 45 5.625 -10.776 3.363 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.372 -10.952 1.289 1.00 0.48 H new ATOM 0 HB3 GLU A 45 5.092 -11.010 0.960 1.00 0.48 H new ATOM 0 HG2 GLU A 45 4.913 -13.286 1.129 1.00 0.61 H new ATOM 0 HG3 GLU A 45 4.774 -13.046 2.860 1.00 0.61 H new ATOM 700 N TYR A 46 3.229 -8.608 2.950 1.00 0.43 N ATOM 701 CA TYR A 46 2.966 -7.149 2.851 1.00 0.48 C ATOM 702 C TYR A 46 3.197 -6.499 4.229 1.00 0.52 C ATOM 703 O TYR A 46 3.346 -5.298 4.341 1.00 0.69 O ATOM 704 CB TYR A 46 1.492 -7.073 2.388 1.00 0.64 C ATOM 705 CG TYR A 46 0.790 -5.842 2.928 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.127 -5.888 4.160 1.00 1.03 C ATOM 707 CD2 TYR A 46 0.816 -4.655 2.190 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.509 -4.743 4.655 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.179 -3.511 2.682 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.527 -3.584 3.932 1.00 1.50 C ATOM 711 OH TYR A 46 -1.114 -2.425 4.410 1.00 1.95 O ATOM 0 H TYR A 46 2.398 -9.187 3.069 1.00 0.43 H new ATOM 0 HA TYR A 46 3.619 -6.616 2.161 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.454 -7.063 1.299 1.00 0.64 H new ATOM 0 HB3 TYR A 46 0.962 -7.967 2.718 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.106 -6.806 4.728 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.328 -4.621 1.240 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.991 -4.777 5.621 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.217 -2.584 2.129 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.434 -1.725 4.494 1.00 1.95 H new ATOM 721 N ALA A 47 3.231 -7.286 5.276 1.00 0.53 N ATOM 722 CA ALA A 47 3.454 -6.710 6.632 1.00 0.62 C ATOM 723 C ALA A 47 4.945 -6.735 6.981 1.00 0.58 C ATOM 724 O ALA A 47 5.406 -5.997 7.830 1.00 0.68 O ATOM 725 CB ALA A 47 2.668 -7.617 7.581 1.00 0.73 C ATOM 0 H ALA A 47 3.114 -8.299 5.248 1.00 0.53 H new ATOM 0 HA ALA A 47 3.130 -5.671 6.697 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.781 -7.259 8.604 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.613 -7.604 7.307 1.00 0.73 H new ATOM 0 HB3 ALA A 47 3.049 -8.636 7.509 1.00 0.73 H new ATOM 731 N LYS A 48 5.706 -7.573 6.332 1.00 0.51 N ATOM 732 CA LYS A 48 7.165 -7.635 6.631 1.00 0.55 C ATOM 733 C LYS A 48 7.894 -6.502 5.908 1.00 0.53 C ATOM 734 O LYS A 48 8.914 -6.019 6.360 1.00 0.65 O ATOM 735 CB LYS A 48 7.623 -8.996 6.105 1.00 0.60 C ATOM 736 CG LYS A 48 8.188 -9.830 7.258 1.00 1.03 C ATOM 737 CD LYS A 48 7.450 -11.168 7.331 1.00 1.41 C ATOM 738 CE LYS A 48 7.774 -11.997 6.086 1.00 1.92 C ATOM 739 NZ LYS A 48 8.854 -12.928 6.517 1.00 2.47 N ATOM 0 H LYS A 48 5.382 -8.216 5.609 1.00 0.51 H new ATOM 0 HA LYS A 48 7.377 -7.523 7.694 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.786 -9.518 5.642 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.382 -8.862 5.334 1.00 0.60 H new ATOM 0 HG2 LYS A 48 9.255 -9.999 7.110 1.00 1.03 H new ATOM 0 HG3 LYS A 48 8.078 -9.290 8.199 1.00 1.03 H new ATOM 0 HD2 LYS A 48 7.746 -11.710 8.229 1.00 1.41 H new ATOM 0 HD3 LYS A 48 6.375 -11.000 7.400 1.00 1.41 H new ATOM 0 HE2 LYS A 48 6.898 -12.543 5.736 1.00 1.92 H new ATOM 0 HE3 LYS A 48 8.104 -11.362 5.263 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 9.132 -13.532 5.717 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 9.677 -12.380 6.839 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 8.508 -13.524 7.296 1.00 2.47 H new ATOM 753 N ALA A 49 7.378 -6.071 4.790 1.00 0.47 N ATOM 754 CA ALA A 49 8.042 -4.964 4.043 1.00 0.50 C ATOM 755 C ALA A 49 7.963 -3.668 4.854 1.00 0.53 C ATOM 756 O ALA A 49 8.759 -2.766 4.682 1.00 0.65 O ATOM 757 CB ALA A 49 7.253 -4.834 2.739 1.00 0.55 C ATOM 0 H ALA A 49 6.527 -6.436 4.362 1.00 0.47 H new ATOM 0 HA ALA A 49 9.098 -5.161 3.857 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.682 -4.037 2.132 1.00 0.55 H new ATOM 0 HB2 ALA A 49 7.301 -5.774 2.190 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.213 -4.598 2.965 1.00 0.55 H new ATOM 763 N ALA A 50 7.010 -3.573 5.743 1.00 0.54 N ATOM 764 CA ALA A 50 6.881 -2.338 6.569 1.00 0.65 C ATOM 765 C ALA A 50 8.026 -2.257 7.583 1.00 0.65 C ATOM 766 O ALA A 50 8.382 -1.194 8.050 1.00 0.77 O ATOM 767 CB ALA A 50 5.537 -2.482 7.286 1.00 0.76 C ATOM 0 H ALA A 50 6.316 -4.296 5.932 1.00 0.54 H new ATOM 0 HA ALA A 50 6.927 -1.431 5.967 1.00 0.65 H new ATOM 0 HB1 ALA A 50 5.366 -1.610 7.917 1.00 0.76 H new ATOM 0 HB2 ALA A 50 4.738 -2.559 6.549 1.00 0.76 H new ATOM 0 HB3 ALA A 50 5.548 -3.380 7.904 1.00 0.76 H new ATOM 773 N GLY A 51 8.605 -3.376 7.924 1.00 0.59 N ATOM 774 CA GLY A 51 9.726 -3.368 8.906 1.00 0.69 C ATOM 775 C GLY A 51 11.040 -3.047 8.187 1.00 0.78 C ATOM 776 O GLY A 51 12.002 -2.623 8.795 1.00 0.90 O ATOM 0 H GLY A 51 8.350 -4.296 7.565 1.00 0.59 H new ATOM 0 HA2 GLY A 51 9.536 -2.628 9.684 1.00 0.69 H new ATOM 0 HA3 GLY A 51 9.797 -4.338 9.399 1.00 0.69 H new ATOM 780 N LYS A 52 11.090 -3.247 6.897 1.00 0.80 N ATOM 781 CA LYS A 52 12.345 -2.952 6.147 1.00 1.01 C ATOM 782 C LYS A 52 12.816 -1.525 6.438 1.00 1.12 C ATOM 783 O LYS A 52 13.989 -1.278 6.639 1.00 1.31 O ATOM 784 CB LYS A 52 11.969 -3.105 4.672 1.00 1.15 C ATOM 785 CG LYS A 52 12.119 -4.568 4.254 1.00 1.49 C ATOM 786 CD LYS A 52 13.541 -4.809 3.738 1.00 1.97 C ATOM 787 CE LYS A 52 13.917 -6.278 3.943 1.00 2.64 C ATOM 788 NZ LYS A 52 15.406 -6.295 3.959 1.00 3.08 N ATOM 0 H LYS A 52 10.318 -3.601 6.332 1.00 0.80 H new ATOM 0 HA LYS A 52 13.161 -3.616 6.431 1.00 1.01 H new ATOM 0 HB2 LYS A 52 10.943 -2.774 4.511 1.00 1.15 H new ATOM 0 HB3 LYS A 52 12.608 -2.473 4.056 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.912 -5.222 5.101 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.393 -4.812 3.478 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.604 -4.551 2.681 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.245 -4.165 4.266 1.00 1.97 H new ATOM 0 HE2 LYS A 52 13.508 -6.664 4.877 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.524 -6.902 3.141 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 15.741 -7.270 4.096 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 15.767 -5.929 3.055 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 15.752 -5.698 4.737 1.00 3.08 H new ATOM 802 N LEU A 53 11.914 -0.581 6.464 1.00 1.12 N ATOM 803 CA LEU A 53 12.321 0.826 6.743 1.00 1.33 C ATOM 804 C LEU A 53 12.695 0.986 8.218 1.00 1.30 C ATOM 805 O LEU A 53 13.460 1.858 8.578 1.00 1.50 O ATOM 806 CB LEU A 53 11.098 1.675 6.395 1.00 1.55 C ATOM 807 CG LEU A 53 9.922 1.276 7.288 1.00 1.47 C ATOM 808 CD1 LEU A 53 9.836 2.235 8.476 1.00 2.07 C ATOM 809 CD2 LEU A 53 8.625 1.347 6.478 1.00 1.82 C ATOM 0 H LEU A 53 10.917 -0.723 6.305 1.00 1.12 H new ATOM 0 HA LEU A 53 13.195 1.125 6.164 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.327 2.732 6.530 1.00 1.55 H new ATOM 0 HB3 LEU A 53 10.834 1.537 5.346 1.00 1.55 H new ATOM 0 HG LEU A 53 10.068 0.260 7.654 1.00 1.47 H new ATOM 0 HD11 LEU A 53 8.998 1.951 9.113 1.00 2.07 H new ATOM 0 HD12 LEU A 53 10.761 2.186 9.050 1.00 2.07 H new ATOM 0 HD13 LEU A 53 9.687 3.252 8.113 1.00 2.07 H new ATOM 0 HD21 LEU A 53 7.785 1.063 7.111 1.00 1.82 H new ATOM 0 HD22 LEU A 53 8.478 2.364 6.114 1.00 1.82 H new ATOM 0 HD23 LEU A 53 8.687 0.664 5.631 1.00 1.82 H new ATOM 821 N LYS A 54 12.180 0.143 9.077 1.00 1.20 N ATOM 822 CA LYS A 54 12.538 0.252 10.524 1.00 1.35 C ATOM 823 C LYS A 54 14.061 0.226 10.661 1.00 1.40 C ATOM 824 O LYS A 54 14.634 0.838 11.540 1.00 1.67 O ATOM 825 CB LYS A 54 11.913 -0.974 11.189 1.00 1.46 C ATOM 826 CG LYS A 54 11.915 -0.784 12.707 1.00 1.91 C ATOM 827 CD LYS A 54 10.752 0.124 13.110 1.00 2.50 C ATOM 828 CE LYS A 54 11.251 1.187 14.093 1.00 2.87 C ATOM 829 NZ LYS A 54 10.505 2.425 13.732 1.00 3.88 N ATOM 0 H LYS A 54 11.533 -0.610 8.842 1.00 1.20 H new ATOM 0 HA LYS A 54 12.179 1.174 10.982 1.00 1.35 H new ATOM 0 HB2 LYS A 54 10.894 -1.116 10.830 1.00 1.46 H new ATOM 0 HB3 LYS A 54 12.472 -1.871 10.923 1.00 1.46 H new ATOM 0 HG2 LYS A 54 11.826 -1.749 13.205 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.860 -0.346 13.028 1.00 1.91 H new ATOM 0 HD2 LYS A 54 10.326 0.601 12.227 1.00 2.50 H new ATOM 0 HD3 LYS A 54 9.958 -0.466 13.568 1.00 2.50 H new ATOM 0 HE2 LYS A 54 11.055 0.894 15.124 1.00 2.87 H new ATOM 0 HE3 LYS A 54 12.327 1.334 14.003 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 10.793 3.200 14.363 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 10.717 2.683 12.747 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 9.484 2.257 13.834 1.00 3.88 H new ATOM 843 N ALA A 55 14.713 -0.463 9.767 1.00 1.63 N ATOM 844 CA ALA A 55 16.198 -0.526 9.790 1.00 2.20 C ATOM 845 C ALA A 55 16.737 0.345 8.657 1.00 2.03 C ATOM 846 O ALA A 55 17.774 0.077 8.083 1.00 2.38 O ATOM 847 CB ALA A 55 16.542 -1.993 9.549 1.00 2.78 C ATOM 0 H ALA A 55 14.273 -0.991 9.013 1.00 1.63 H new ATOM 0 HA ALA A 55 16.628 -0.169 10.726 1.00 2.20 H new ATOM 0 HB1 ALA A 55 17.625 -2.118 9.552 1.00 2.78 H new ATOM 0 HB2 ALA A 55 16.104 -2.604 10.338 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.144 -2.306 8.584 1.00 2.78 H new ATOM 853 N GLU A 56 16.014 1.382 8.329 1.00 1.67 N ATOM 854 CA GLU A 56 16.434 2.296 7.228 1.00 1.70 C ATOM 855 C GLU A 56 16.611 1.520 5.923 1.00 1.53 C ATOM 856 O GLU A 56 17.491 1.802 5.135 1.00 1.98 O ATOM 857 CB GLU A 56 17.755 2.907 7.686 1.00 1.99 C ATOM 858 CG GLU A 56 17.464 3.996 8.716 1.00 2.69 C ATOM 859 CD GLU A 56 18.751 4.759 9.032 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.794 4.128 9.079 1.00 3.64 O ATOM 861 OE2 GLU A 56 18.672 5.962 9.224 1.00 3.63 O ATOM 0 H GLU A 56 15.138 1.638 8.784 1.00 1.67 H new ATOM 0 HA GLU A 56 15.687 3.065 7.031 1.00 1.70 H new ATOM 0 HB2 GLU A 56 18.395 2.139 8.120 1.00 1.99 H new ATOM 0 HB3 GLU A 56 18.292 3.326 6.835 1.00 1.99 H new ATOM 0 HG2 GLU A 56 16.708 4.681 8.332 1.00 2.69 H new ATOM 0 HG3 GLU A 56 17.060 3.552 9.626 1.00 2.69 H new ATOM 868 N GLY A 57 15.767 0.555 5.682 1.00 1.58 N ATOM 869 CA GLY A 57 15.872 -0.226 4.420 1.00 2.25 C ATOM 870 C GLY A 57 15.170 0.538 3.292 1.00 1.97 C ATOM 871 O GLY A 57 15.356 0.249 2.126 1.00 2.50 O ATOM 0 H GLY A 57 15.010 0.274 6.305 1.00 1.58 H new ATOM 0 HA2 GLY A 57 16.919 -0.390 4.167 1.00 2.25 H new ATOM 0 HA3 GLY A 57 15.417 -1.208 4.548 1.00 2.25 H new ATOM 875 N SER A 58 14.363 1.514 3.626 1.00 1.30 N ATOM 876 CA SER A 58 13.653 2.292 2.571 1.00 1.23 C ATOM 877 C SER A 58 13.001 3.532 3.188 1.00 1.03 C ATOM 878 O SER A 58 13.011 3.718 4.388 1.00 1.27 O ATOM 879 CB SER A 58 12.591 1.340 2.022 1.00 1.53 C ATOM 880 OG SER A 58 12.460 1.534 0.621 1.00 2.13 O ATOM 0 H SER A 58 14.167 1.804 4.584 1.00 1.30 H new ATOM 0 HA SER A 58 14.325 2.641 1.787 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.869 0.307 2.232 1.00 1.53 H new ATOM 0 HB3 SER A 58 11.636 1.520 2.516 1.00 1.53 H new ATOM 0 HG SER A 58 11.930 0.804 0.238 1.00 2.13 H new ATOM 886 N GLU A 59 12.436 4.381 2.376 1.00 0.85 N ATOM 887 CA GLU A 59 11.787 5.610 2.921 1.00 0.87 C ATOM 888 C GLU A 59 10.320 5.680 2.483 1.00 0.76 C ATOM 889 O GLU A 59 9.777 6.745 2.268 1.00 1.06 O ATOM 890 CB GLU A 59 12.587 6.780 2.337 1.00 1.10 C ATOM 891 CG GLU A 59 12.382 6.849 0.819 1.00 1.05 C ATOM 892 CD GLU A 59 11.149 6.031 0.432 1.00 1.58 C ATOM 893 OE1 GLU A 59 11.291 4.834 0.243 1.00 2.13 O ATOM 894 OE2 GLU A 59 10.083 6.617 0.332 1.00 2.22 O ATOM 0 H GLU A 59 12.394 4.280 1.362 1.00 0.85 H new ATOM 0 HA GLU A 59 11.788 5.625 4.011 1.00 0.87 H new ATOM 0 HB2 GLU A 59 12.269 7.715 2.798 1.00 1.10 H new ATOM 0 HB3 GLU A 59 13.646 6.657 2.564 1.00 1.10 H new ATOM 0 HG2 GLU A 59 12.257 7.885 0.505 1.00 1.05 H new ATOM 0 HG3 GLU A 59 13.263 6.464 0.305 1.00 1.05 H new ATOM 901 N ILE A 60 9.676 4.554 2.355 1.00 0.59 N ATOM 902 CA ILE A 60 8.239 4.565 1.934 1.00 0.57 C ATOM 903 C ILE A 60 7.354 4.002 3.056 1.00 0.52 C ATOM 904 O ILE A 60 7.840 3.452 4.026 1.00 0.63 O ATOM 905 CB ILE A 60 8.136 3.710 0.640 1.00 0.68 C ATOM 906 CG1 ILE A 60 8.057 2.198 0.952 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.336 3.979 -0.276 1.00 1.34 C ATOM 908 CD1 ILE A 60 9.375 1.690 1.542 1.00 1.60 C ATOM 0 H ILE A 60 10.075 3.630 2.521 1.00 0.59 H new ATOM 0 HA ILE A 60 7.891 5.579 1.737 1.00 0.57 H new ATOM 0 HB ILE A 60 7.215 4.002 0.135 1.00 0.68 H new ATOM 0 HG12 ILE A 60 7.244 2.010 1.653 1.00 1.46 H new ATOM 0 HG13 ILE A 60 7.826 1.647 0.041 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.249 3.373 -1.178 1.00 1.34 H new ATOM 0 HG22 ILE A 60 9.356 5.034 -0.549 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.257 3.722 0.246 1.00 1.34 H new ATOM 0 HD11 ILE A 60 9.292 0.624 1.752 1.00 1.60 H new ATOM 0 HD12 ILE A 60 10.182 1.858 0.828 1.00 1.60 H new ATOM 0 HD13 ILE A 60 9.591 2.226 2.466 1.00 1.60 H new ATOM 920 N ARG A 61 6.063 4.141 2.933 1.00 0.45 N ATOM 921 CA ARG A 61 5.153 3.620 3.992 1.00 0.45 C ATOM 922 C ARG A 61 4.179 2.595 3.404 1.00 0.41 C ATOM 923 O ARG A 61 3.876 2.617 2.227 1.00 0.55 O ATOM 924 CB ARG A 61 4.396 4.847 4.499 1.00 0.51 C ATOM 925 CG ARG A 61 4.631 5.010 6.003 1.00 0.75 C ATOM 926 CD ARG A 61 3.290 5.218 6.710 1.00 0.97 C ATOM 927 NE ARG A 61 3.495 6.413 7.574 1.00 1.30 N ATOM 928 CZ ARG A 61 2.538 6.818 8.365 1.00 1.66 C ATOM 929 NH1 ARG A 61 1.459 7.354 7.863 1.00 2.21 N ATOM 930 NH2 ARG A 61 2.660 6.686 9.658 1.00 2.19 N ATOM 0 H ARG A 61 5.599 4.593 2.145 1.00 0.45 H new ATOM 0 HA ARG A 61 5.698 3.115 4.790 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.732 5.739 3.969 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.330 4.739 4.297 1.00 0.51 H new ATOM 0 HG2 ARG A 61 5.131 4.127 6.401 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.288 5.860 6.189 1.00 0.75 H new ATOM 0 HD2 ARG A 61 2.486 5.382 5.992 1.00 0.97 H new ATOM 0 HD3 ARG A 61 3.016 4.345 7.302 1.00 0.97 H new ATOM 0 HE ARG A 61 4.382 6.915 7.548 1.00 1.30 H new ATOM 0 HH11 ARG A 61 1.363 7.457 6.853 1.00 2.21 H new ATOM 0 HH12 ARG A 61 0.712 7.670 8.481 1.00 2.21 H new ATOM 0 HH21 ARG A 61 3.503 6.267 10.051 1.00 2.19 H new ATOM 0 HH22 ARG A 61 1.913 7.002 10.276 1.00 2.19 H new ATOM 944 N LEU A 62 3.684 1.700 4.215 1.00 0.35 N ATOM 945 CA LEU A 62 2.726 0.678 3.703 1.00 0.36 C ATOM 946 C LEU A 62 1.343 0.903 4.321 1.00 0.32 C ATOM 947 O LEU A 62 1.223 1.343 5.446 1.00 0.38 O ATOM 948 CB LEU A 62 3.302 -0.667 4.148 1.00 0.48 C ATOM 949 CG LEU A 62 3.749 -1.459 2.917 1.00 0.73 C ATOM 950 CD1 LEU A 62 4.949 -0.764 2.271 1.00 1.59 C ATOM 951 CD2 LEU A 62 4.144 -2.876 3.336 1.00 1.22 C ATOM 0 H LEU A 62 3.901 1.632 5.209 1.00 0.35 H new ATOM 0 HA LEU A 62 2.605 0.727 2.621 1.00 0.36 H new ATOM 0 HB2 LEU A 62 4.146 -0.510 4.819 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.553 -1.230 4.704 1.00 0.48 H new ATOM 0 HG LEU A 62 2.929 -1.509 2.200 1.00 0.73 H new ATOM 0 HD11 LEU A 62 5.267 -1.328 1.394 1.00 1.59 H new ATOM 0 HD12 LEU A 62 4.667 0.245 1.971 1.00 1.59 H new ATOM 0 HD13 LEU A 62 5.769 -0.713 2.987 1.00 1.59 H new ATOM 0 HD21 LEU A 62 4.462 -3.439 2.459 1.00 1.22 H new ATOM 0 HD22 LEU A 62 4.963 -2.828 4.053 1.00 1.22 H new ATOM 0 HD23 LEU A 62 3.288 -3.372 3.795 1.00 1.22 H new ATOM 963 N ALA A 63 0.298 0.609 3.596 1.00 0.30 N ATOM 964 CA ALA A 63 -1.069 0.815 4.156 1.00 0.32 C ATOM 965 C ALA A 63 -2.069 -0.125 3.479 1.00 0.31 C ATOM 966 O ALA A 63 -1.790 -0.708 2.450 1.00 0.37 O ATOM 967 CB ALA A 63 -1.409 2.274 3.847 1.00 0.37 C ATOM 0 H ALA A 63 0.330 0.238 2.647 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.112 0.604 5.225 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.404 2.505 4.229 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.677 2.927 4.323 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.389 2.432 2.769 1.00 0.37 H new ATOM 973 N LYS A 64 -3.234 -0.278 4.050 1.00 0.30 N ATOM 974 CA LYS A 64 -4.247 -1.185 3.434 1.00 0.32 C ATOM 975 C LYS A 64 -5.648 -0.579 3.545 1.00 0.32 C ATOM 976 O LYS A 64 -5.891 0.314 4.331 1.00 0.40 O ATOM 977 CB LYS A 64 -4.164 -2.478 4.243 1.00 0.38 C ATOM 978 CG LYS A 64 -3.743 -3.628 3.325 1.00 1.39 C ATOM 979 CD LYS A 64 -3.751 -4.939 4.113 1.00 1.60 C ATOM 980 CE LYS A 64 -3.274 -6.080 3.214 1.00 2.04 C ATOM 981 NZ LYS A 64 -3.507 -7.317 4.012 1.00 2.26 N ATOM 0 H LYS A 64 -3.527 0.183 4.911 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.056 -1.349 2.373 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.446 -2.366 5.056 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -5.130 -2.697 4.699 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.423 -3.697 2.476 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -2.748 -3.440 2.922 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -3.103 -4.855 4.985 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.756 -5.148 4.481 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.830 -6.104 2.277 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.221 -5.967 2.957 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.204 -8.147 3.463 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -2.960 -7.268 4.895 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -4.519 -7.400 4.236 1.00 2.26 H new ATOM 995 N VAL A 65 -6.574 -1.067 2.764 1.00 0.30 N ATOM 996 CA VAL A 65 -7.962 -0.529 2.825 1.00 0.32 C ATOM 997 C VAL A 65 -8.969 -1.680 2.851 1.00 0.31 C ATOM 998 O VAL A 65 -8.691 -2.771 2.395 1.00 0.36 O ATOM 999 CB VAL A 65 -8.130 0.293 1.546 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.568 0.811 1.456 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.162 1.476 1.569 1.00 0.70 C ATOM 0 H VAL A 65 -6.428 -1.815 2.086 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.132 0.070 3.719 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.916 -0.335 0.681 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.687 1.397 0.545 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.258 -0.033 1.438 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.784 1.438 2.321 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.282 2.062 0.658 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.375 2.104 2.434 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.138 1.107 1.631 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.138 -1.445 3.377 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.160 -2.527 3.426 1.00 0.39 C ATOM 1013 C ASP A 66 -12.261 -2.259 2.397 1.00 0.40 C ATOM 1014 O ASP A 66 -13.188 -1.515 2.644 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.726 -2.477 4.845 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.938 -3.430 5.747 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.316 -4.338 5.218 1.00 1.30 O ATOM 1018 OD2 ASP A 66 -10.971 -3.237 6.951 1.00 1.38 O ATOM 0 H ASP A 66 -10.430 -0.552 3.775 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.738 -3.505 3.193 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.668 -1.461 5.235 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.780 -2.756 4.837 1.00 0.47 H new ATOM 1023 N ALA A 67 -12.164 -2.861 1.240 1.00 0.40 N ATOM 1024 CA ALA A 67 -13.203 -2.644 0.188 1.00 0.46 C ATOM 1025 C ALA A 67 -14.609 -2.803 0.776 1.00 0.51 C ATOM 1026 O ALA A 67 -15.567 -2.244 0.278 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.934 -3.727 -0.857 1.00 0.51 C ATOM 0 H ALA A 67 -11.409 -3.495 0.977 1.00 0.40 H new ATOM 0 HA ALA A 67 -13.154 -1.641 -0.236 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.657 -3.638 -1.668 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.926 -3.607 -1.254 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -13.027 -4.710 -0.395 1.00 0.51 H new ATOM 1033 N THR A 68 -14.740 -3.558 1.832 1.00 0.53 N ATOM 1034 CA THR A 68 -16.084 -3.749 2.450 1.00 0.62 C ATOM 1035 C THR A 68 -16.386 -2.608 3.428 1.00 0.64 C ATOM 1036 O THR A 68 -17.526 -2.347 3.757 1.00 0.86 O ATOM 1037 CB THR A 68 -15.992 -5.082 3.193 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.949 -5.016 4.156 1.00 1.29 O ATOM 1039 CG2 THR A 68 -15.700 -6.204 2.198 1.00 1.35 C ATOM 0 H THR A 68 -13.976 -4.051 2.294 1.00 0.53 H new ATOM 0 HA THR A 68 -16.883 -3.750 1.708 1.00 0.62 H new ATOM 0 HB THR A 68 -16.938 -5.283 3.696 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.992 -5.802 4.739 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.635 -7.154 2.729 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.502 -6.255 1.461 1.00 1.35 H new ATOM 0 HG23 THR A 68 -14.755 -6.005 1.693 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.373 -1.928 3.894 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.606 -0.806 4.850 1.00 0.61 C ATOM 1049 C GLU A 69 -15.336 0.536 4.166 1.00 0.57 C ATOM 1050 O GLU A 69 -16.186 1.404 4.123 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.609 -1.037 5.985 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.191 -0.493 7.291 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.219 -0.775 8.438 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.286 -0.006 8.601 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -14.424 -1.755 9.135 1.00 2.10 O ATOM 0 H GLU A 69 -14.396 -2.100 3.655 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.634 -0.779 5.210 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.395 -2.101 6.085 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.664 -0.541 5.761 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.367 0.579 7.205 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -16.155 -0.959 7.494 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.158 0.717 3.635 1.00 0.52 N ATOM 1063 CA GLU A 70 -13.835 2.006 2.958 1.00 0.57 C ATOM 1064 C GLU A 70 -13.999 1.859 1.444 1.00 0.72 C ATOM 1065 O GLU A 70 -13.131 2.224 0.675 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.377 2.288 3.319 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.219 2.285 4.841 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.134 1.284 5.240 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -10.165 1.169 4.509 1.00 1.97 O ATOM 1070 OE2 GLU A 70 -11.291 0.650 6.270 1.00 1.89 O ATOM 0 H GLU A 70 -13.405 0.029 3.640 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.493 2.816 3.271 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.728 1.534 2.874 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.070 3.252 2.913 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -11.955 3.283 5.192 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.164 2.021 5.315 1.00 1.05 H new ATOM 1077 N SER A 71 -15.108 1.325 1.011 1.00 0.55 N ATOM 1078 CA SER A 71 -15.334 1.150 -0.453 1.00 0.66 C ATOM 1079 C SER A 71 -15.483 2.512 -1.134 1.00 0.70 C ATOM 1080 O SER A 71 -15.249 2.653 -2.317 1.00 0.94 O ATOM 1081 CB SER A 71 -16.634 0.354 -0.554 1.00 0.79 C ATOM 1082 OG SER A 71 -17.740 1.244 -0.485 1.00 1.48 O ATOM 0 H SER A 71 -15.869 1.002 1.608 1.00 0.55 H new ATOM 0 HA SER A 71 -14.503 0.643 -0.943 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.660 -0.204 -1.490 1.00 0.79 H new ATOM 0 HB3 SER A 71 -16.690 -0.376 0.253 1.00 0.79 H new ATOM 0 HG SER A 71 -18.575 0.735 -0.551 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.875 3.516 -0.396 1.00 0.67 N ATOM 1089 CA ASP A 72 -16.044 4.870 -1.001 1.00 0.71 C ATOM 1090 C ASP A 72 -14.798 5.262 -1.798 1.00 0.68 C ATOM 1091 O ASP A 72 -14.884 5.887 -2.836 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.234 5.812 0.187 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.358 6.803 -0.125 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -17.087 7.782 -0.801 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.470 6.565 0.316 1.00 1.83 O ATOM 0 H ASP A 72 -16.086 3.457 0.600 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.885 4.906 -1.694 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -16.476 5.241 1.083 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.308 6.349 0.392 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.644 4.899 -1.320 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.392 5.250 -2.049 1.00 0.68 C ATOM 1102 C LEU A 73 -12.130 4.238 -3.165 1.00 0.60 C ATOM 1103 O LEU A 73 -11.618 4.574 -4.215 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.287 5.187 -0.995 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.533 6.263 0.066 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.833 5.594 1.408 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.287 7.141 0.201 1.00 0.97 C ATOM 0 H LEU A 73 -13.511 4.374 -0.456 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.449 6.232 -2.519 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.268 4.201 -0.531 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.314 5.338 -1.463 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.381 6.880 -0.231 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.008 6.359 2.165 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.720 4.968 1.312 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.984 4.978 1.705 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -10.462 7.907 0.956 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.438 6.525 0.499 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.072 7.617 -0.756 1.00 0.97 H new ATOM 1119 N ALA A 74 -12.481 3.001 -2.949 1.00 0.57 N ATOM 1120 CA ALA A 74 -12.256 1.970 -4.001 1.00 0.56 C ATOM 1121 C ALA A 74 -13.285 2.133 -5.119 1.00 0.59 C ATOM 1122 O ALA A 74 -13.049 1.762 -6.252 1.00 0.65 O ATOM 1123 CB ALA A 74 -12.439 0.628 -3.290 1.00 0.60 C ATOM 0 H ALA A 74 -12.913 2.659 -2.091 1.00 0.57 H new ATOM 0 HA ALA A 74 -11.271 2.052 -4.460 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -12.289 -0.184 -4.001 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.712 0.542 -2.482 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -13.447 0.568 -2.879 1.00 0.60 H new ATOM 1129 N GLN A 75 -14.421 2.697 -4.813 1.00 0.64 N ATOM 1130 CA GLN A 75 -15.454 2.892 -5.868 1.00 0.76 C ATOM 1131 C GLN A 75 -15.030 4.038 -6.783 1.00 0.78 C ATOM 1132 O GLN A 75 -15.281 4.025 -7.972 1.00 0.86 O ATOM 1133 CB GLN A 75 -16.738 3.245 -5.116 1.00 0.87 C ATOM 1134 CG GLN A 75 -17.446 1.960 -4.681 1.00 1.42 C ATOM 1135 CD GLN A 75 -18.952 2.098 -4.921 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -19.426 3.155 -5.287 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -19.727 1.066 -4.731 1.00 2.40 N ATOM 0 H GLN A 75 -14.677 3.029 -3.883 1.00 0.64 H new ATOM 0 HA GLN A 75 -15.591 2.009 -6.492 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -16.505 3.857 -4.245 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -17.395 3.836 -5.754 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -17.055 1.110 -5.240 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.252 1.765 -3.626 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -19.329 0.179 -4.424 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -20.731 1.146 -4.890 1.00 2.40 H new ATOM 1146 N GLN A 76 -14.374 5.026 -6.238 1.00 0.76 N ATOM 1147 CA GLN A 76 -13.919 6.165 -7.079 1.00 0.84 C ATOM 1148 C GLN A 76 -13.011 5.644 -8.190 1.00 0.83 C ATOM 1149 O GLN A 76 -13.034 6.122 -9.307 1.00 0.94 O ATOM 1150 CB GLN A 76 -13.137 7.068 -6.126 1.00 0.89 C ATOM 1151 CG GLN A 76 -14.113 7.810 -5.210 1.00 1.14 C ATOM 1152 CD GLN A 76 -14.369 9.213 -5.764 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -14.481 9.383 -7.053 1.00 2.20 O flip ATOM 1154 NE2 GLN A 76 -14.469 10.165 -5.016 1.00 1.97 N flip ATOM 0 H GLN A 76 -14.135 5.092 -5.249 1.00 0.76 H new ATOM 0 HA GLN A 76 -14.743 6.697 -7.554 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.444 6.473 -5.531 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -12.539 7.782 -6.693 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -15.051 7.259 -5.138 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -13.704 7.875 -4.202 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -14.382 10.033 -4.008 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -14.640 11.096 -5.396 1.00 1.97 H new ATOM 1163 N TYR A 77 -12.213 4.658 -7.888 1.00 0.74 N ATOM 1164 CA TYR A 77 -11.302 4.088 -8.916 1.00 0.81 C ATOM 1165 C TYR A 77 -12.018 2.990 -9.702 1.00 0.83 C ATOM 1166 O TYR A 77 -12.101 3.029 -10.913 1.00 1.00 O ATOM 1167 CB TYR A 77 -10.135 3.509 -8.118 1.00 0.80 C ATOM 1168 CG TYR A 77 -9.441 4.619 -7.366 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -8.939 5.727 -8.060 1.00 1.18 C ATOM 1170 CD2 TYR A 77 -9.302 4.542 -5.975 1.00 1.42 C ATOM 1171 CE1 TYR A 77 -8.297 6.758 -7.361 1.00 1.19 C ATOM 1172 CE2 TYR A 77 -8.661 5.572 -5.278 1.00 1.56 C ATOM 1173 CZ TYR A 77 -8.158 6.680 -5.971 1.00 1.05 C ATOM 1174 OH TYR A 77 -7.527 7.696 -5.282 1.00 1.22 O ATOM 0 H TYR A 77 -12.153 4.221 -6.968 1.00 0.74 H new ATOM 0 HA TYR A 77 -10.972 4.830 -9.643 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -10.497 2.753 -7.421 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -9.432 3.014 -8.788 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -9.047 5.787 -9.133 1.00 1.18 H new ATOM 0 HD2 TYR A 77 -9.690 3.688 -5.440 1.00 1.42 H new ATOM 0 HE1 TYR A 77 -7.909 7.613 -7.895 1.00 1.19 H new ATOM 0 HE2 TYR A 77 -8.554 5.512 -4.205 1.00 1.56 H new ATOM 0 HH TYR A 77 -7.162 7.345 -4.443 1.00 1.22 H new ATOM 1184 N GLY A 78 -12.531 2.007 -9.019 1.00 0.78 N ATOM 1185 CA GLY A 78 -13.239 0.899 -9.720 1.00 0.87 C ATOM 1186 C GLY A 78 -12.464 -0.396 -9.496 1.00 0.88 C ATOM 1187 O GLY A 78 -12.374 -1.243 -10.363 1.00 1.52 O ATOM 0 H GLY A 78 -12.491 1.922 -8.003 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -14.256 0.801 -9.341 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -13.315 1.114 -10.786 1.00 0.87 H new ATOM 1191 N VAL A 79 -11.893 -0.546 -8.335 1.00 0.80 N ATOM 1192 CA VAL A 79 -11.107 -1.771 -8.034 1.00 0.79 C ATOM 1193 C VAL A 79 -12.033 -2.924 -7.639 1.00 1.13 C ATOM 1194 O VAL A 79 -12.778 -2.835 -6.683 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.219 -1.372 -6.860 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -9.367 -2.564 -6.440 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.307 -0.216 -7.278 1.00 0.72 C ATOM 0 H VAL A 79 -11.938 0.134 -7.576 1.00 0.80 H new ATOM 0 HA VAL A 79 -10.533 -2.117 -8.893 1.00 0.79 H new ATOM 0 HB VAL A 79 -10.843 -1.058 -6.024 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -8.732 -2.280 -5.601 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -10.016 -3.388 -6.141 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -8.743 -2.878 -7.277 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -8.673 0.069 -6.439 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.683 -0.529 -8.115 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.915 0.637 -7.579 1.00 0.72 H new ATOM 1207 N ARG A 80 -11.989 -4.006 -8.366 1.00 1.27 N ATOM 1208 CA ARG A 80 -12.863 -5.168 -8.032 1.00 1.72 C ATOM 1209 C ARG A 80 -12.043 -6.463 -7.951 1.00 1.38 C ATOM 1210 O ARG A 80 -12.566 -7.518 -7.651 1.00 1.87 O ATOM 1211 CB ARG A 80 -13.870 -5.247 -9.178 1.00 2.38 C ATOM 1212 CG ARG A 80 -15.000 -4.244 -8.933 1.00 2.85 C ATOM 1213 CD ARG A 80 -15.513 -3.716 -10.274 1.00 3.49 C ATOM 1214 NE ARG A 80 -16.753 -4.494 -10.545 1.00 4.06 N ATOM 1215 CZ ARG A 80 -16.681 -5.777 -10.773 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -16.254 -6.212 -11.927 1.00 5.25 N ATOM 1217 NH2 ARG A 80 -17.036 -6.625 -9.846 1.00 5.09 N ATOM 0 H ARG A 80 -11.385 -4.137 -9.178 1.00 1.27 H new ATOM 0 HA ARG A 80 -13.348 -5.045 -7.063 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -13.377 -5.031 -10.126 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -14.275 -6.256 -9.252 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -15.811 -4.721 -8.384 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -14.641 -3.419 -8.318 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -15.721 -2.647 -10.224 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -14.776 -3.861 -11.064 1.00 3.49 H new ATOM 0 HE ARG A 80 -17.658 -4.024 -10.552 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -15.976 -5.549 -12.651 1.00 5.25 H new ATOM 0 HH12 ARG A 80 -16.198 -7.215 -12.105 1.00 5.25 H new ATOM 0 HH21 ARG A 80 -17.369 -6.285 -8.944 1.00 5.09 H new ATOM 0 HH22 ARG A 80 -16.980 -7.628 -10.024 1.00 5.09 H new ATOM 1231 N GLY A 81 -10.762 -6.399 -8.215 1.00 0.87 N ATOM 1232 CA GLY A 81 -9.930 -7.634 -8.149 1.00 0.81 C ATOM 1233 C GLY A 81 -8.903 -7.495 -7.024 1.00 0.74 C ATOM 1234 O GLY A 81 -7.824 -6.971 -7.216 1.00 1.17 O ATOM 0 H GLY A 81 -10.261 -5.549 -8.472 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -10.563 -8.503 -7.973 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -9.424 -7.796 -9.101 1.00 0.81 H new ATOM 1238 N TYR A 82 -9.230 -7.963 -5.850 1.00 0.61 N ATOM 1239 CA TYR A 82 -8.270 -7.857 -4.714 1.00 0.52 C ATOM 1240 C TYR A 82 -7.316 -9.064 -4.713 1.00 0.54 C ATOM 1241 O TYR A 82 -7.641 -10.093 -5.273 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.135 -7.861 -3.449 1.00 0.59 C ATOM 1243 CG TYR A 82 -10.202 -6.792 -3.544 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -9.883 -5.539 -4.079 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -11.506 -7.052 -3.099 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -10.865 -4.545 -4.169 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -12.487 -6.059 -3.190 1.00 1.04 C ATOM 1248 CZ TYR A 82 -12.183 -4.821 -3.712 1.00 0.75 C ATOM 1249 OH TYR A 82 -13.134 -3.825 -3.813 1.00 0.85 O ATOM 0 H TYR A 82 -10.118 -8.413 -5.629 1.00 0.61 H new ATOM 0 HA TYR A 82 -7.655 -6.960 -4.781 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -9.599 -8.839 -3.320 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -8.511 -7.686 -2.572 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -8.879 -5.339 -4.423 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -11.753 -8.019 -2.686 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -10.623 -3.577 -4.582 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -13.491 -6.265 -2.848 1.00 1.04 H new ATOM 0 HH TYR A 82 -13.103 -3.433 -4.711 1.00 0.85 H new ATOM 1259 N PRO A 83 -6.161 -8.914 -4.090 1.00 0.54 N ATOM 1260 CA PRO A 83 -5.776 -7.649 -3.410 1.00 0.51 C ATOM 1261 C PRO A 83 -5.169 -6.668 -4.416 1.00 0.51 C ATOM 1262 O PRO A 83 -4.237 -6.990 -5.125 1.00 0.63 O ATOM 1263 CB PRO A 83 -4.730 -8.097 -2.397 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.142 -9.360 -2.955 1.00 0.66 C ATOM 1265 CD PRO A 83 -5.111 -9.930 -3.966 1.00 0.64 C ATOM 0 HA PRO A 83 -6.619 -7.134 -2.950 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -3.963 -7.334 -2.262 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.180 -8.273 -1.420 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.180 -9.155 -3.425 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -3.960 -10.079 -2.156 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -4.622 -10.113 -4.923 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -5.520 -10.883 -3.629 1.00 0.64 H new ATOM 1273 N THR A 84 -5.685 -5.471 -4.482 1.00 0.45 N ATOM 1274 CA THR A 84 -5.129 -4.473 -5.442 1.00 0.45 C ATOM 1275 C THR A 84 -4.150 -3.543 -4.721 1.00 0.43 C ATOM 1276 O THR A 84 -4.520 -2.813 -3.823 1.00 0.52 O ATOM 1277 CB THR A 84 -6.341 -3.692 -5.951 1.00 0.48 C ATOM 1278 OG1 THR A 84 -7.418 -4.589 -6.178 1.00 0.67 O ATOM 1279 CG2 THR A 84 -5.981 -2.982 -7.257 1.00 0.56 C ATOM 0 H THR A 84 -6.466 -5.141 -3.915 1.00 0.45 H new ATOM 0 HA THR A 84 -4.580 -4.943 -6.258 1.00 0.45 H new ATOM 0 HB THR A 84 -6.635 -2.951 -5.207 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.085 -5.392 -6.631 1.00 0.67 H new ATOM 0 HG21 THR A 84 -6.846 -2.426 -7.619 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.154 -2.294 -7.081 1.00 0.56 H new ATOM 0 HG23 THR A 84 -5.686 -3.720 -8.003 1.00 0.56 H new ATOM 1287 N ILE A 85 -2.903 -3.565 -5.105 1.00 0.41 N ATOM 1288 CA ILE A 85 -1.902 -2.684 -4.437 1.00 0.41 C ATOM 1289 C ILE A 85 -1.493 -1.539 -5.367 1.00 0.41 C ATOM 1290 O ILE A 85 -1.236 -1.740 -6.538 1.00 0.54 O ATOM 1291 CB ILE A 85 -0.706 -3.590 -4.148 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.132 -4.706 -3.193 1.00 0.89 C ATOM 1293 CG2 ILE A 85 0.413 -2.770 -3.505 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -1.119 -6.045 -3.935 1.00 1.27 C ATOM 0 H ILE A 85 -2.534 -4.154 -5.851 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.299 -2.228 -3.530 1.00 0.41 H new ATOM 0 HB ILE A 85 -0.347 -4.025 -5.081 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.457 -4.745 -2.338 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.129 -4.504 -2.802 1.00 0.89 H new ATOM 0 HG21 ILE A 85 1.266 -3.417 -3.299 1.00 0.80 H new ATOM 0 HG22 ILE A 85 0.717 -1.974 -4.184 1.00 0.80 H new ATOM 0 HG23 ILE A 85 0.055 -2.334 -2.572 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -1.423 -6.841 -3.255 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -1.812 -6.002 -4.775 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -0.113 -6.247 -4.304 1.00 1.27 H new ATOM 1306 N LYS A 86 -1.423 -0.342 -4.853 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.025 0.817 -5.704 1.00 0.40 C ATOM 1308 C LYS A 86 -0.046 1.712 -4.939 1.00 0.38 C ATOM 1309 O LYS A 86 -0.144 1.868 -3.739 1.00 0.49 O ATOM 1310 CB LYS A 86 -2.326 1.564 -5.992 1.00 0.48 C ATOM 1311 CG LYS A 86 -2.781 1.261 -7.422 1.00 0.94 C ATOM 1312 CD LYS A 86 -3.590 2.443 -7.962 1.00 1.03 C ATOM 1313 CE LYS A 86 -5.041 2.011 -8.183 1.00 1.37 C ATOM 1314 NZ LYS A 86 -5.682 3.167 -8.873 1.00 1.73 N ATOM 0 H LYS A 86 -1.624 -0.115 -3.879 1.00 0.37 H new ATOM 0 HA LYS A 86 -0.526 0.508 -6.622 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.096 1.262 -5.282 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -2.178 2.636 -5.865 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -1.916 1.078 -8.059 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -3.386 0.355 -7.438 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -3.550 3.275 -7.259 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -3.158 2.795 -8.899 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.097 1.108 -8.790 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -5.536 1.790 -7.237 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -6.681 2.949 -9.060 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -5.619 4.011 -8.268 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.193 3.349 -9.773 1.00 1.73 H new ATOM 1328 N PHE A 87 0.898 2.301 -5.621 1.00 0.37 N ATOM 1329 CA PHE A 87 1.878 3.180 -4.920 1.00 0.36 C ATOM 1330 C PHE A 87 1.480 4.652 -5.068 1.00 0.33 C ATOM 1331 O PHE A 87 1.169 5.112 -6.149 1.00 0.37 O ATOM 1332 CB PHE A 87 3.217 2.920 -5.609 1.00 0.42 C ATOM 1333 CG PHE A 87 4.275 3.800 -4.989 1.00 0.46 C ATOM 1334 CD1 PHE A 87 4.382 3.893 -3.597 1.00 0.44 C ATOM 1335 CD2 PHE A 87 5.154 4.518 -5.808 1.00 0.81 C ATOM 1336 CE1 PHE A 87 5.366 4.707 -3.023 1.00 0.46 C ATOM 1337 CE2 PHE A 87 6.138 5.331 -5.237 1.00 0.97 C ATOM 1338 CZ PHE A 87 6.231 5.438 -3.837 1.00 0.72 C ATOM 0 H PHE A 87 1.033 2.213 -6.628 1.00 0.37 H new ATOM 0 HA PHE A 87 1.921 2.969 -3.852 1.00 0.36 H new ATOM 0 HB2 PHE A 87 3.494 1.871 -5.507 1.00 0.42 H new ATOM 0 HB3 PHE A 87 3.136 3.126 -6.676 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.705 3.337 -2.965 1.00 0.44 H new ATOM 0 HD2 PHE A 87 5.072 4.444 -6.882 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.455 4.769 -1.948 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.825 5.875 -5.869 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.972 6.086 -3.393 1.00 0.72 H new ATOM 1348 N PHE A 88 1.488 5.392 -3.993 1.00 0.33 N ATOM 1349 CA PHE A 88 1.109 6.827 -4.079 1.00 0.35 C ATOM 1350 C PHE A 88 2.281 7.716 -3.648 1.00 0.42 C ATOM 1351 O PHE A 88 2.940 7.459 -2.660 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.063 6.969 -3.116 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.241 6.189 -3.647 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -1.367 4.826 -3.352 1.00 0.63 C ATOM 1355 CD2 PHE A 88 -2.205 6.827 -4.437 1.00 0.54 C ATOM 1356 CE1 PHE A 88 -2.458 4.101 -3.846 1.00 0.73 C ATOM 1357 CE2 PHE A 88 -3.296 6.102 -4.931 1.00 0.62 C ATOM 1358 CZ PHE A 88 -3.423 4.739 -4.636 1.00 0.62 C ATOM 0 H PHE A 88 1.741 5.064 -3.061 1.00 0.33 H new ATOM 0 HA PHE A 88 0.848 7.132 -5.092 1.00 0.35 H new ATOM 0 HB2 PHE A 88 0.216 6.601 -2.128 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.329 8.020 -3.001 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -0.623 4.334 -2.743 1.00 0.63 H new ATOM 0 HD2 PHE A 88 -2.107 7.878 -4.665 1.00 0.54 H new ATOM 0 HE1 PHE A 88 -2.556 3.050 -3.618 1.00 0.73 H new ATOM 0 HE2 PHE A 88 -4.040 6.594 -5.540 1.00 0.62 H new ATOM 0 HZ PHE A 88 -4.265 4.180 -5.017 1.00 0.62 H new ATOM 1368 N ARG A 89 2.546 8.759 -4.388 1.00 0.47 N ATOM 1369 CA ARG A 89 3.673 9.669 -4.035 1.00 0.55 C ATOM 1370 C ARG A 89 3.222 10.728 -3.033 1.00 0.64 C ATOM 1371 O ARG A 89 2.141 10.666 -2.482 1.00 1.05 O ATOM 1372 CB ARG A 89 4.076 10.324 -5.356 1.00 0.73 C ATOM 1373 CG ARG A 89 5.603 10.359 -5.463 1.00 1.15 C ATOM 1374 CD ARG A 89 6.040 11.680 -6.099 1.00 1.42 C ATOM 1375 NE ARG A 89 6.599 11.301 -7.427 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.817 11.645 -7.744 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.046 12.813 -8.280 1.00 2.43 N ATOM 1378 NH2 ARG A 89 8.805 10.823 -7.525 1.00 2.56 N ATOM 0 H ARG A 89 2.027 9.021 -5.226 1.00 0.47 H new ATOM 0 HA ARG A 89 4.499 9.132 -3.569 1.00 0.55 H new ATOM 0 HB2 ARG A 89 3.655 9.768 -6.193 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.674 11.336 -5.410 1.00 0.73 H new ATOM 0 HG2 ARG A 89 6.050 10.254 -4.474 1.00 1.15 H new ATOM 0 HG3 ARG A 89 5.955 9.520 -6.063 1.00 1.15 H new ATOM 0 HD2 ARG A 89 5.198 12.364 -6.206 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.786 12.186 -5.486 1.00 1.42 H new ATOM 0 HE ARG A 89 6.030 10.773 -8.088 1.00 1.73 H new ATOM 0 HH11 ARG A 89 7.273 13.456 -8.451 1.00 2.43 H new ATOM 0 HH12 ARG A 89 8.998 13.083 -8.528 1.00 2.43 H new ATOM 0 HH21 ARG A 89 8.626 9.911 -7.106 1.00 2.56 H new ATOM 0 HH22 ARG A 89 9.757 11.092 -7.773 1.00 2.56 H new ATOM 1392 N ASN A 90 4.057 11.697 -2.799 1.00 0.57 N ATOM 1393 CA ASN A 90 3.724 12.789 -1.837 1.00 0.68 C ATOM 1394 C ASN A 90 2.591 13.668 -2.380 1.00 0.69 C ATOM 1395 O ASN A 90 2.743 14.864 -2.534 1.00 0.98 O ATOM 1396 CB ASN A 90 5.015 13.603 -1.711 1.00 0.87 C ATOM 1397 CG ASN A 90 5.368 14.223 -3.065 1.00 1.10 C ATOM 1398 OD1 ASN A 90 4.796 13.870 -4.077 1.00 1.65 O ATOM 1399 ND2 ASN A 90 6.296 15.140 -3.127 1.00 1.74 N ATOM 0 H ASN A 90 4.973 11.783 -3.239 1.00 0.57 H new ATOM 0 HA ASN A 90 3.382 12.398 -0.879 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.891 14.386 -0.963 1.00 0.87 H new ATOM 0 HB3 ASN A 90 5.828 12.962 -1.370 1.00 0.87 H new ATOM 0 HD21 ASN A 90 6.540 15.559 -4.024 1.00 1.74 H new ATOM 0 HD22 ASN A 90 6.777 15.437 -2.278 1.00 1.74 H new ATOM 1406 N GLY A 91 1.461 13.089 -2.666 1.00 0.65 N ATOM 1407 CA GLY A 91 0.324 13.894 -3.194 1.00 0.75 C ATOM 1408 C GLY A 91 0.369 13.903 -4.723 1.00 0.79 C ATOM 1409 O GLY A 91 1.215 14.533 -5.324 1.00 1.19 O ATOM 0 H GLY A 91 1.274 12.092 -2.557 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -0.622 13.475 -2.850 1.00 0.75 H new ATOM 0 HA3 GLY A 91 0.379 14.914 -2.812 1.00 0.75 H new ATOM 1413 N ASP A 92 -0.535 13.209 -5.356 1.00 0.90 N ATOM 1414 CA ASP A 92 -0.543 13.178 -6.846 1.00 1.27 C ATOM 1415 C ASP A 92 -1.877 12.631 -7.359 1.00 1.14 C ATOM 1416 O ASP A 92 -2.533 13.245 -8.177 1.00 1.70 O ATOM 1417 CB ASP A 92 0.604 12.240 -7.228 1.00 1.93 C ATOM 1418 CG ASP A 92 0.935 12.401 -8.716 1.00 2.15 C ATOM 1419 OD1 ASP A 92 0.381 13.295 -9.337 1.00 2.68 O ATOM 1420 OD2 ASP A 92 1.736 11.626 -9.209 1.00 2.41 O ATOM 0 H ASP A 92 -1.269 12.662 -4.906 1.00 0.90 H new ATOM 0 HA ASP A 92 -0.421 14.171 -7.280 1.00 1.27 H new ATOM 0 HB2 ASP A 92 1.484 12.463 -6.624 1.00 1.93 H new ATOM 0 HB3 ASP A 92 0.326 11.207 -7.018 1.00 1.93 H new ATOM 1425 N THR A 93 -2.278 11.478 -6.879 1.00 0.96 N ATOM 1426 CA THR A 93 -3.572 10.861 -7.321 1.00 1.33 C ATOM 1427 C THR A 93 -3.750 10.979 -8.841 1.00 1.26 C ATOM 1428 O THR A 93 -2.820 11.279 -9.563 1.00 1.90 O ATOM 1429 CB THR A 93 -4.667 11.640 -6.585 1.00 1.74 C ATOM 1430 OG1 THR A 93 -4.456 13.035 -6.750 1.00 2.10 O ATOM 1431 CG2 THR A 93 -4.629 11.292 -5.096 1.00 1.92 C ATOM 0 H THR A 93 -1.759 10.931 -6.192 1.00 0.96 H new ATOM 0 HA THR A 93 -3.606 9.796 -7.091 1.00 1.33 H new ATOM 0 HB THR A 93 -5.639 11.371 -6.998 1.00 1.74 H new ATOM 0 HG1 THR A 93 -4.140 13.213 -7.660 1.00 2.10 H new ATOM 0 HG21 THR A 93 -5.408 11.846 -4.573 1.00 1.92 H new ATOM 0 HG22 THR A 93 -4.796 10.223 -4.968 1.00 1.92 H new ATOM 0 HG23 THR A 93 -3.655 11.559 -4.685 1.00 1.92 H new ATOM 1439 N ALA A 94 -4.943 10.738 -9.330 1.00 1.18 N ATOM 1440 CA ALA A 94 -5.215 10.824 -10.805 1.00 1.18 C ATOM 1441 C ALA A 94 -4.506 9.689 -11.544 1.00 1.14 C ATOM 1442 O ALA A 94 -5.125 8.884 -12.211 1.00 1.48 O ATOM 1443 CB ALA A 94 -4.678 12.187 -11.263 1.00 1.24 C ATOM 0 H ALA A 94 -5.752 10.482 -8.764 1.00 1.18 H new ATOM 0 HA ALA A 94 -6.280 10.729 -11.019 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -4.850 12.305 -12.333 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -5.194 12.981 -10.723 1.00 1.24 H new ATOM 0 HB3 ALA A 94 -3.609 12.244 -11.058 1.00 1.24 H new ATOM 1449 N SER A 95 -3.214 9.620 -11.430 1.00 1.20 N ATOM 1450 CA SER A 95 -2.456 8.540 -12.123 1.00 1.22 C ATOM 1451 C SER A 95 -1.396 7.949 -11.183 1.00 0.98 C ATOM 1452 O SER A 95 -0.222 8.225 -11.330 1.00 0.98 O ATOM 1453 CB SER A 95 -1.793 9.227 -13.317 1.00 1.48 C ATOM 1454 OG SER A 95 -0.943 8.305 -13.982 1.00 2.01 O ATOM 0 H SER A 95 -2.644 10.267 -10.885 1.00 1.20 H new ATOM 0 HA SER A 95 -3.099 7.716 -12.432 1.00 1.22 H new ATOM 0 HB2 SER A 95 -2.553 9.598 -14.004 1.00 1.48 H new ATOM 0 HB3 SER A 95 -1.219 10.090 -12.981 1.00 1.48 H new ATOM 0 HG SER A 95 -0.519 8.745 -14.748 1.00 2.01 H new ATOM 1460 N PRO A 96 -1.843 7.153 -10.241 1.00 0.87 N ATOM 1461 CA PRO A 96 -0.907 6.526 -9.274 1.00 0.72 C ATOM 1462 C PRO A 96 -0.113 5.404 -9.948 1.00 0.65 C ATOM 1463 O PRO A 96 -0.389 5.023 -11.069 1.00 0.79 O ATOM 1464 CB PRO A 96 -1.827 5.964 -8.194 1.00 0.79 C ATOM 1465 CG PRO A 96 -3.140 5.748 -8.879 1.00 0.97 C ATOM 1466 CD PRO A 96 -3.240 6.766 -9.985 1.00 1.02 C ATOM 0 HA PRO A 96 -0.171 7.226 -8.878 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -1.435 5.031 -7.788 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -1.926 6.658 -7.360 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -3.202 4.737 -9.281 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -3.964 5.863 -8.175 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -3.707 6.344 -10.875 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -3.843 7.623 -9.685 1.00 1.02 H new ATOM 1474 N LYS A 97 0.868 4.867 -9.275 1.00 0.55 N ATOM 1475 CA LYS A 97 1.672 3.767 -9.881 1.00 0.57 C ATOM 1476 C LYS A 97 1.017 2.416 -9.579 1.00 0.53 C ATOM 1477 O LYS A 97 0.197 2.299 -8.690 1.00 0.89 O ATOM 1478 CB LYS A 97 3.046 3.863 -9.217 1.00 0.68 C ATOM 1479 CG LYS A 97 4.023 4.555 -10.171 1.00 0.85 C ATOM 1480 CD LYS A 97 4.975 5.446 -9.371 1.00 1.63 C ATOM 1481 CE LYS A 97 5.575 6.511 -10.292 1.00 2.05 C ATOM 1482 NZ LYS A 97 7.045 6.432 -10.063 1.00 2.61 N ATOM 0 H LYS A 97 1.147 5.142 -8.333 1.00 0.55 H new ATOM 0 HA LYS A 97 1.743 3.852 -10.965 1.00 0.57 H new ATOM 0 HB2 LYS A 97 2.973 4.422 -8.284 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.411 2.867 -8.964 1.00 0.68 H new ATOM 0 HG2 LYS A 97 4.589 3.811 -10.731 1.00 0.85 H new ATOM 0 HG3 LYS A 97 3.475 5.153 -10.899 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.440 5.921 -8.549 1.00 1.63 H new ATOM 0 HD3 LYS A 97 5.769 4.843 -8.929 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.327 6.316 -11.335 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.191 7.502 -10.052 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 7.528 7.133 -10.660 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 7.252 6.628 -9.063 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 7.383 5.479 -10.306 1.00 2.61 H new ATOM 1496 N GLU A 98 1.367 1.397 -10.315 1.00 0.51 N ATOM 1497 CA GLU A 98 0.753 0.061 -10.067 1.00 0.48 C ATOM 1498 C GLU A 98 1.823 -0.957 -9.660 1.00 0.45 C ATOM 1499 O GLU A 98 2.953 -0.898 -10.103 1.00 0.61 O ATOM 1500 CB GLU A 98 0.118 -0.336 -11.400 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.634 -1.659 -11.235 1.00 1.33 C ATOM 1502 CD GLU A 98 -1.894 -1.428 -10.398 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -1.755 -1.098 -9.232 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -2.977 -1.585 -10.938 1.00 2.61 O ATOM 0 H GLU A 98 2.048 1.430 -11.074 1.00 0.51 H new ATOM 0 HA GLU A 98 0.024 0.091 -9.257 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -0.566 0.444 -11.735 1.00 0.61 H new ATOM 0 HB3 GLU A 98 0.887 -0.436 -12.166 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.902 -2.062 -12.212 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.007 -2.396 -10.751 1.00 1.33 H new ATOM 1511 N TYR A 99 1.468 -1.893 -8.823 1.00 0.45 N ATOM 1512 CA TYR A 99 2.454 -2.922 -8.385 1.00 0.46 C ATOM 1513 C TYR A 99 2.294 -4.190 -9.230 1.00 0.53 C ATOM 1514 O TYR A 99 1.312 -4.898 -9.124 1.00 0.67 O ATOM 1515 CB TYR A 99 2.105 -3.198 -6.922 1.00 0.52 C ATOM 1516 CG TYR A 99 3.053 -4.229 -6.356 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.436 -4.037 -6.462 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.551 -5.374 -5.730 1.00 1.58 C ATOM 1519 CE1 TYR A 99 5.316 -4.993 -5.941 1.00 1.49 C ATOM 1520 CE2 TYR A 99 3.431 -6.331 -5.209 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.808 -6.137 -5.299 1.00 1.70 C ATOM 1522 OH TYR A 99 5.683 -7.082 -4.801 1.00 2.27 O ATOM 0 H TYR A 99 0.535 -1.990 -8.422 1.00 0.45 H new ATOM 0 HA TYR A 99 3.486 -2.592 -8.501 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.168 -2.276 -6.343 1.00 0.52 H new ATOM 0 HB3 TYR A 99 1.078 -3.554 -6.844 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.823 -3.152 -6.945 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.484 -5.521 -5.648 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.383 -4.853 -6.032 1.00 1.49 H new ATOM 0 HE2 TYR A 99 3.042 -7.221 -4.737 1.00 2.05 H new ATOM 0 HH TYR A 99 5.176 -7.811 -4.386 1.00 2.27 H new ATOM 1532 N THR A 100 3.247 -4.478 -10.074 1.00 0.60 N ATOM 1533 CA THR A 100 3.143 -5.694 -10.932 1.00 0.72 C ATOM 1534 C THR A 100 3.536 -6.946 -10.143 1.00 0.83 C ATOM 1535 O THR A 100 2.853 -7.951 -10.181 1.00 1.71 O ATOM 1536 CB THR A 100 4.124 -5.453 -12.079 1.00 0.93 C ATOM 1537 OG1 THR A 100 5.408 -5.150 -11.547 1.00 1.36 O ATOM 1538 CG2 THR A 100 3.635 -4.282 -12.932 1.00 1.13 C ATOM 0 H THR A 100 4.093 -3.924 -10.207 1.00 0.60 H new ATOM 0 HA THR A 100 2.126 -5.857 -11.289 1.00 0.72 H new ATOM 0 HB THR A 100 4.188 -6.349 -12.697 1.00 0.93 H new ATOM 0 HG1 THR A 100 6.039 -4.997 -12.281 1.00 1.36 H new ATOM 0 HG21 THR A 100 4.335 -4.110 -13.750 1.00 1.13 H new ATOM 0 HG22 THR A 100 2.651 -4.514 -13.339 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.570 -3.385 -12.316 1.00 1.13 H new ATOM 1546 N ALA A 101 4.630 -6.900 -9.433 1.00 0.83 N ATOM 1547 CA ALA A 101 5.057 -8.096 -8.651 1.00 1.01 C ATOM 1548 C ALA A 101 3.960 -8.495 -7.660 1.00 1.36 C ATOM 1549 O ALA A 101 2.833 -8.049 -7.756 1.00 1.98 O ATOM 1550 CB ALA A 101 6.318 -7.657 -7.909 1.00 0.87 C ATOM 0 H ALA A 101 5.245 -6.089 -9.360 1.00 0.83 H new ATOM 0 HA ALA A 101 5.242 -8.962 -9.287 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.694 -8.486 -7.309 1.00 0.87 H new ATOM 0 HB2 ALA A 101 7.078 -7.357 -8.630 1.00 0.87 H new ATOM 0 HB3 ALA A 101 6.083 -6.815 -7.258 1.00 0.87 H new ATOM 1556 N GLY A 102 4.276 -9.331 -6.710 1.00 1.17 N ATOM 1557 CA GLY A 102 3.246 -9.754 -5.720 1.00 1.71 C ATOM 1558 C GLY A 102 3.458 -11.224 -5.353 1.00 1.08 C ATOM 1559 O GLY A 102 2.943 -12.117 -5.996 1.00 1.27 O ATOM 0 H GLY A 102 5.201 -9.739 -6.576 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.310 -9.133 -4.826 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.248 -9.613 -6.136 1.00 1.71 H new ATOM 1563 N ARG A 103 4.212 -11.480 -4.322 1.00 0.90 N ATOM 1564 CA ARG A 103 4.459 -12.890 -3.906 1.00 1.11 C ATOM 1565 C ARG A 103 5.080 -12.917 -2.509 1.00 0.94 C ATOM 1566 O ARG A 103 4.739 -13.736 -1.679 1.00 1.04 O ATOM 1567 CB ARG A 103 5.436 -13.447 -4.942 1.00 1.71 C ATOM 1568 CG ARG A 103 5.576 -14.959 -4.752 1.00 2.44 C ATOM 1569 CD ARG A 103 5.004 -15.686 -5.972 1.00 3.16 C ATOM 1570 NE ARG A 103 3.812 -16.416 -5.458 1.00 3.73 N ATOM 1571 CZ ARG A 103 3.962 -17.394 -4.606 1.00 4.34 C ATOM 1572 NH1 ARG A 103 4.284 -18.586 -5.030 1.00 4.81 N ATOM 1573 NH2 ARG A 103 3.790 -17.178 -3.331 1.00 4.84 N ATOM 0 H ARG A 103 4.670 -10.773 -3.747 1.00 0.90 H new ATOM 0 HA ARG A 103 3.542 -13.478 -3.861 1.00 1.11 H new ATOM 0 HB2 ARG A 103 5.079 -13.228 -5.948 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.408 -12.965 -4.837 1.00 1.71 H new ATOM 0 HG2 ARG A 103 6.625 -15.223 -4.618 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.050 -15.272 -3.850 1.00 2.44 H new ATOM 0 HD2 ARG A 103 4.728 -14.983 -6.758 1.00 3.16 H new ATOM 0 HD3 ARG A 103 5.734 -16.373 -6.401 1.00 3.16 H new ATOM 0 HE ARG A 103 2.878 -16.152 -5.772 1.00 3.73 H new ATOM 0 HH11 ARG A 103 4.419 -18.754 -6.027 1.00 4.81 H new ATOM 0 HH12 ARG A 103 4.401 -19.350 -4.364 1.00 4.81 H new ATOM 0 HH21 ARG A 103 3.539 -16.246 -3.001 1.00 4.84 H new ATOM 0 HH22 ARG A 103 3.907 -17.941 -2.664 1.00 4.84 H new ATOM 1587 N GLU A 104 5.985 -12.020 -2.246 1.00 0.75 N ATOM 1588 CA GLU A 104 6.631 -11.976 -0.904 1.00 0.66 C ATOM 1589 C GLU A 104 7.037 -10.538 -0.567 1.00 0.56 C ATOM 1590 O GLU A 104 7.167 -9.700 -1.438 1.00 0.57 O ATOM 1591 CB GLU A 104 7.865 -12.871 -1.023 1.00 0.79 C ATOM 1592 CG GLU A 104 8.808 -12.305 -2.086 1.00 1.59 C ATOM 1593 CD GLU A 104 9.774 -13.400 -2.545 1.00 1.87 C ATOM 1594 OE1 GLU A 104 10.133 -14.227 -1.724 1.00 2.04 O ATOM 1595 OE2 GLU A 104 10.139 -13.391 -3.709 1.00 2.51 O ATOM 0 H GLU A 104 6.308 -11.311 -2.905 1.00 0.75 H new ATOM 0 HA GLU A 104 5.964 -12.315 -0.111 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.377 -12.931 -0.063 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.567 -13.885 -1.289 1.00 0.79 H new ATOM 0 HG2 GLU A 104 8.235 -11.932 -2.935 1.00 1.59 H new ATOM 0 HG3 GLU A 104 9.365 -11.460 -1.681 1.00 1.59 H new ATOM 1602 N ALA A 105 7.235 -10.244 0.690 1.00 0.50 N ATOM 1603 CA ALA A 105 7.629 -8.859 1.079 1.00 0.44 C ATOM 1604 C ALA A 105 8.833 -8.392 0.253 1.00 0.45 C ATOM 1605 O ALA A 105 9.059 -7.209 0.084 1.00 0.47 O ATOM 1606 CB ALA A 105 8.001 -8.955 2.559 1.00 0.47 C ATOM 0 H ALA A 105 7.141 -10.902 1.464 1.00 0.50 H new ATOM 0 HA ALA A 105 6.829 -8.140 0.903 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.304 -7.973 2.923 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.140 -9.303 3.129 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.825 -9.657 2.682 1.00 0.47 H new ATOM 1612 N ASP A 106 9.607 -9.308 -0.260 1.00 0.51 N ATOM 1613 CA ASP A 106 10.796 -8.912 -1.070 1.00 0.56 C ATOM 1614 C ASP A 106 10.365 -8.441 -2.462 1.00 0.54 C ATOM 1615 O ASP A 106 10.914 -7.503 -3.006 1.00 0.64 O ATOM 1616 CB ASP A 106 11.647 -10.179 -1.172 1.00 0.67 C ATOM 1617 CG ASP A 106 12.919 -10.011 -0.340 1.00 1.18 C ATOM 1618 OD1 ASP A 106 12.834 -10.147 0.869 1.00 1.82 O ATOM 1619 OD2 ASP A 106 13.957 -9.752 -0.927 1.00 2.02 O ATOM 0 H ASP A 106 9.469 -10.313 -0.154 1.00 0.51 H new ATOM 0 HA ASP A 106 11.344 -8.087 -0.616 1.00 0.56 H new ATOM 0 HB2 ASP A 106 11.080 -11.040 -0.818 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.904 -10.373 -2.213 1.00 0.67 H new ATOM 1624 N ASP A 107 9.387 -9.080 -3.040 1.00 0.50 N ATOM 1625 CA ASP A 107 8.927 -8.661 -4.396 1.00 0.52 C ATOM 1626 C ASP A 107 8.377 -7.236 -4.340 1.00 0.51 C ATOM 1627 O ASP A 107 8.398 -6.513 -5.317 1.00 0.63 O ATOM 1628 CB ASP A 107 7.824 -9.651 -4.773 1.00 0.55 C ATOM 1629 CG ASP A 107 8.429 -10.808 -5.570 1.00 0.76 C ATOM 1630 OD1 ASP A 107 9.014 -10.544 -6.607 1.00 1.39 O ATOM 1631 OD2 ASP A 107 8.297 -11.938 -5.130 1.00 1.41 O ATOM 0 H ASP A 107 8.887 -9.872 -2.635 1.00 0.50 H new ATOM 0 HA ASP A 107 9.735 -8.665 -5.127 1.00 0.52 H new ATOM 0 HB2 ASP A 107 7.337 -10.030 -3.874 1.00 0.55 H new ATOM 0 HB3 ASP A 107 7.057 -9.150 -5.364 1.00 0.55 H new ATOM 1636 N ILE A 108 7.886 -6.827 -3.204 1.00 0.46 N ATOM 1637 CA ILE A 108 7.337 -5.446 -3.084 1.00 0.52 C ATOM 1638 C ILE A 108 8.478 -4.439 -2.922 1.00 0.50 C ATOM 1639 O ILE A 108 8.580 -3.478 -3.660 1.00 0.52 O ATOM 1640 CB ILE A 108 6.462 -5.472 -1.831 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.307 -6.454 -2.039 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.899 -4.074 -1.573 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.457 -6.517 -0.769 1.00 0.68 C ATOM 0 H ILE A 108 7.841 -7.388 -2.353 1.00 0.46 H new ATOM 0 HA ILE A 108 6.772 -5.148 -3.967 1.00 0.52 H new ATOM 0 HB ILE A 108 7.060 -5.787 -0.976 1.00 0.60 H new ATOM 0 HG12 ILE A 108 4.695 -6.138 -2.884 1.00 0.73 H new ATOM 0 HG13 ILE A 108 5.696 -7.444 -2.279 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.275 -4.092 -0.680 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.720 -3.372 -1.428 1.00 0.67 H new ATOM 0 HG23 ILE A 108 5.300 -3.760 -2.428 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.634 -7.216 -0.916 1.00 0.68 H new ATOM 0 HD12 ILE A 108 5.073 -6.853 0.065 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.057 -5.527 -0.549 1.00 0.68 H new ATOM 1655 N VAL A 109 9.341 -4.651 -1.966 1.00 0.51 N ATOM 1656 CA VAL A 109 10.474 -3.703 -1.768 1.00 0.56 C ATOM 1657 C VAL A 109 11.266 -3.554 -3.069 1.00 0.51 C ATOM 1658 O VAL A 109 11.686 -2.473 -3.431 1.00 0.55 O ATOM 1659 CB VAL A 109 11.338 -4.339 -0.679 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.601 -3.498 -0.473 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.548 -4.398 0.629 1.00 0.86 C ATOM 0 H VAL A 109 9.311 -5.436 -1.316 1.00 0.51 H new ATOM 0 HA VAL A 109 10.137 -2.706 -1.485 1.00 0.56 H new ATOM 0 HB VAL A 109 11.618 -5.348 -0.981 1.00 0.67 H new ATOM 0 HG11 VAL A 109 13.217 -3.951 0.303 1.00 0.81 H new ATOM 0 HG12 VAL A 109 13.165 -3.454 -1.405 1.00 0.81 H new ATOM 0 HG13 VAL A 109 12.321 -2.489 -0.171 1.00 0.81 H new ATOM 0 HG21 VAL A 109 11.164 -4.851 1.406 1.00 0.86 H new ATOM 0 HG22 VAL A 109 10.268 -3.389 0.931 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.648 -4.996 0.484 1.00 0.86 H new ATOM 1671 N ASN A 110 11.471 -4.631 -3.778 1.00 0.50 N ATOM 1672 CA ASN A 110 12.233 -4.548 -5.056 1.00 0.52 C ATOM 1673 C ASN A 110 11.587 -3.521 -5.986 1.00 0.50 C ATOM 1674 O ASN A 110 12.221 -2.587 -6.435 1.00 0.59 O ATOM 1675 CB ASN A 110 12.153 -5.949 -5.661 1.00 0.59 C ATOM 1676 CG ASN A 110 13.406 -6.740 -5.276 1.00 0.98 C ATOM 1677 OD1 ASN A 110 14.369 -6.179 -4.794 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.433 -8.031 -5.471 1.00 1.29 N ATOM 0 H ASN A 110 11.144 -5.564 -3.527 1.00 0.50 H new ATOM 0 HA ASN A 110 13.265 -4.233 -4.902 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.261 -6.462 -5.302 1.00 0.59 H new ATOM 0 HB3 ASN A 110 12.069 -5.885 -6.746 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.263 -8.568 -5.218 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.624 -8.503 -5.876 1.00 1.29 H new ATOM 1685 N TRP A 111 10.327 -3.684 -6.272 1.00 0.46 N ATOM 1686 CA TRP A 111 9.636 -2.714 -7.169 1.00 0.51 C ATOM 1687 C TRP A 111 9.807 -1.293 -6.629 1.00 0.55 C ATOM 1688 O TRP A 111 9.830 -0.334 -7.373 1.00 0.66 O ATOM 1689 CB TRP A 111 8.163 -3.126 -7.144 1.00 0.55 C ATOM 1690 CG TRP A 111 7.400 -2.306 -8.135 1.00 0.58 C ATOM 1691 CD1 TRP A 111 6.979 -2.742 -9.346 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.959 -0.922 -8.024 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.308 -1.714 -9.983 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.270 -0.571 -9.209 1.00 0.83 C ATOM 1695 CE3 TRP A 111 7.089 0.055 -7.019 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.730 0.702 -9.392 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 6.547 1.338 -7.200 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.868 1.660 -8.384 1.00 1.14 C ATOM 0 H TRP A 111 9.745 -4.446 -5.925 1.00 0.46 H new ATOM 0 HA TRP A 111 10.040 -2.723 -8.181 1.00 0.51 H new ATOM 0 HB2 TRP A 111 8.066 -4.185 -7.381 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.751 -2.984 -6.145 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.141 -3.731 -9.749 1.00 0.73 H new ATOM 0 HE1 TRP A 111 5.892 -1.791 -10.911 1.00 0.84 H new ATOM 0 HE3 TRP A 111 7.609 -0.184 -6.103 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.209 0.946 -10.306 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 6.654 2.081 -6.423 1.00 1.07 H new ATOM 0 HH2 TRP A 111 5.452 2.648 -8.517 1.00 1.14 H new ATOM 1709 N LEU A 112 9.933 -1.155 -5.337 1.00 0.55 N ATOM 1710 CA LEU A 112 10.110 0.202 -4.745 1.00 0.65 C ATOM 1711 C LEU A 112 11.582 0.615 -4.820 1.00 0.65 C ATOM 1712 O LEU A 112 11.907 1.769 -5.010 1.00 0.75 O ATOM 1713 CB LEU A 112 9.665 0.060 -3.290 1.00 0.74 C ATOM 1714 CG LEU A 112 8.136 0.074 -3.215 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.674 -0.856 -2.092 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.650 1.497 -2.930 1.00 1.10 C ATOM 0 H LEU A 112 9.921 -1.923 -4.666 1.00 0.55 H new ATOM 0 HA LEU A 112 9.536 0.965 -5.271 1.00 0.65 H new ATOM 0 HB2 LEU A 112 10.051 -0.869 -2.871 1.00 0.74 H new ATOM 0 HB3 LEU A 112 10.076 0.874 -2.693 1.00 0.74 H new ATOM 0 HG LEU A 112 7.723 -0.267 -4.164 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.585 -0.847 -2.037 1.00 1.49 H new ATOM 0 HD12 LEU A 112 8.019 -1.870 -2.294 1.00 1.49 H new ATOM 0 HD13 LEU A 112 8.088 -0.514 -1.143 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.561 1.506 -2.877 1.00 1.10 H new ATOM 0 HD22 LEU A 112 8.062 1.839 -1.981 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.980 2.161 -3.729 1.00 1.10 H new ATOM 1728 N LYS A 113 12.475 -0.327 -4.672 1.00 0.62 N ATOM 1729 CA LYS A 113 13.928 0.000 -4.736 1.00 0.70 C ATOM 1730 C LYS A 113 14.272 0.665 -6.073 1.00 0.75 C ATOM 1731 O LYS A 113 15.296 1.306 -6.212 1.00 1.01 O ATOM 1732 CB LYS A 113 14.641 -1.348 -4.614 1.00 0.79 C ATOM 1733 CG LYS A 113 15.094 -1.563 -3.168 1.00 1.42 C ATOM 1734 CD LYS A 113 15.119 -3.063 -2.859 1.00 1.84 C ATOM 1735 CE LYS A 113 16.543 -3.488 -2.492 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.419 -4.133 -1.154 1.00 2.86 N ATOM 0 H LYS A 113 12.260 -1.311 -4.509 1.00 0.62 H new ATOM 0 HA LYS A 113 14.225 0.697 -3.952 1.00 0.70 H new ATOM 0 HB2 LYS A 113 13.972 -2.153 -4.919 1.00 0.79 H new ATOM 0 HB3 LYS A 113 15.501 -1.377 -5.283 1.00 0.79 H new ATOM 0 HG2 LYS A 113 16.084 -1.133 -3.018 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.418 -1.051 -2.484 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.439 -3.287 -2.037 1.00 1.84 H new ATOM 0 HD3 LYS A 113 14.771 -3.629 -3.724 1.00 1.84 H new ATOM 0 HE2 LYS A 113 16.950 -4.181 -3.228 1.00 2.39 H new ATOM 0 HE3 LYS A 113 17.214 -2.630 -2.456 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.356 -4.452 -0.834 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.035 -3.448 -0.472 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 15.779 -4.950 -1.221 1.00 2.86 H new ATOM 1750 N LYS A 114 13.428 0.518 -7.061 1.00 0.71 N ATOM 1751 CA LYS A 114 13.714 1.140 -8.388 1.00 0.89 C ATOM 1752 C LYS A 114 14.072 2.621 -8.220 1.00 1.07 C ATOM 1753 O LYS A 114 14.892 3.158 -8.939 1.00 1.31 O ATOM 1754 CB LYS A 114 12.419 0.983 -9.190 1.00 0.92 C ATOM 1755 CG LYS A 114 11.296 1.780 -8.521 1.00 1.45 C ATOM 1756 CD LYS A 114 10.008 1.626 -9.332 1.00 1.77 C ATOM 1757 CE LYS A 114 9.794 2.871 -10.195 1.00 2.49 C ATOM 1758 NZ LYS A 114 10.831 2.784 -11.260 1.00 3.00 N ATOM 0 H LYS A 114 12.554 -0.005 -7.007 1.00 0.71 H new ATOM 0 HA LYS A 114 14.560 0.669 -8.888 1.00 0.89 H new ATOM 0 HB2 LYS A 114 12.568 1.334 -10.211 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.144 -0.070 -9.251 1.00 0.92 H new ATOM 0 HG2 LYS A 114 11.141 1.425 -7.502 1.00 1.45 H new ATOM 0 HG3 LYS A 114 11.572 2.832 -8.454 1.00 1.45 H new ATOM 0 HD2 LYS A 114 10.067 0.739 -9.963 1.00 1.77 H new ATOM 0 HD3 LYS A 114 9.159 1.485 -8.663 1.00 1.77 H new ATOM 0 HE2 LYS A 114 8.791 2.888 -10.621 1.00 2.49 H new ATOM 0 HE3 LYS A 114 9.907 3.782 -9.608 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 10.530 3.343 -12.084 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 11.732 3.158 -10.899 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 10.956 1.791 -11.542 1.00 3.00 H new ATOM 1772 N ARG A 115 13.465 3.285 -7.273 1.00 1.09 N ATOM 1773 CA ARG A 115 13.773 4.729 -7.059 1.00 1.40 C ATOM 1774 C ARG A 115 14.385 4.941 -5.671 1.00 1.25 C ATOM 1775 O ARG A 115 15.036 5.935 -5.415 1.00 1.55 O ATOM 1776 CB ARG A 115 12.426 5.445 -7.167 1.00 1.86 C ATOM 1777 CG ARG A 115 12.454 6.406 -8.359 1.00 2.43 C ATOM 1778 CD ARG A 115 11.752 7.713 -7.981 1.00 2.92 C ATOM 1779 NE ARG A 115 12.854 8.659 -7.650 1.00 3.45 N ATOM 1780 CZ ARG A 115 12.706 9.937 -7.873 1.00 3.99 C ATOM 1781 NH1 ARG A 115 12.549 10.374 -9.092 1.00 4.34 N ATOM 1782 NH2 ARG A 115 12.718 10.779 -6.875 1.00 4.52 N ATOM 0 H ARG A 115 12.770 2.891 -6.639 1.00 1.09 H new ATOM 0 HA ARG A 115 14.493 5.107 -7.784 1.00 1.40 H new ATOM 0 HB2 ARG A 115 11.624 4.717 -7.291 1.00 1.86 H new ATOM 0 HB3 ARG A 115 12.219 5.994 -6.248 1.00 1.86 H new ATOM 0 HG2 ARG A 115 13.484 6.607 -8.653 1.00 2.43 H new ATOM 0 HG3 ARG A 115 11.960 5.951 -9.218 1.00 2.43 H new ATOM 0 HD2 ARG A 115 11.144 8.087 -8.805 1.00 2.92 H new ATOM 0 HD3 ARG A 115 11.084 7.571 -7.131 1.00 2.92 H new ATOM 0 HE ARG A 115 13.724 8.309 -7.249 1.00 3.45 H new ATOM 0 HH11 ARG A 115 12.542 9.717 -9.872 1.00 4.34 H new ATOM 0 HH12 ARG A 115 12.433 11.373 -9.265 1.00 4.34 H new ATOM 0 HH21 ARG A 115 12.843 10.438 -5.922 1.00 4.52 H new ATOM 0 HH22 ARG A 115 12.602 11.777 -7.049 1.00 4.52 H new