USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 HIS : no HE2:sc= -1.46! C(o=-1.4!,f=-3.9!) USER MOD Set 1.2: A 76 ASN : amide:sc= 0.102 X(o=-1.4,f=-1.5) USER MOD Set 2.1: A 40 THR OG1 : rot 140:sc= 0.22 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 177:sc= 0.24 (180deg=0) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -120:sc= 0.00522 (180deg=-1.77) USER MOD Set 3.2: A 80 HIS : no HE2:sc= -0.565 X(o=-0.56,f=-0.78) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0196 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00422 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0792 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00165 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 170:sc= -0.249 USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0708) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -118:sc= 1.09 (180deg=-1.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.35) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -0.162 (180deg=-2.57!) USER MOD Single : A 32 CYS SG : rot -170:sc= -1.33 USER MOD Single : A 33 SER OG : rot -160:sc= -0.235 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0726 K(o=-0.073,f=-1) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.0633 F(o=-0.88,f=-0.063) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.44 K(o=-0.44,f=-2.2!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -4.73 K(o=-4.7,f=-6.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 83:sc= 0.156 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00834) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 37:sc= -1.76 USER MOD Single : A 74 SER OG : rot 180:sc= -0.153 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= -1.52 F(o=-2.9!,f=-1.5) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 89 TYR OH : rot 30:sc=-0.00244 USER MOD Single : A 94 SER OG : rot 86:sc= 1.29 USER MOD Single : A 97 THR OG1 : rot 99:sc= 1.28 USER MOD Single : A 98 ASN : amide:sc= -3.78! C(o=-3.8!,f=-4.6!) USER MOD Single : A 99 SER OG : rot 150:sc= -0.183 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -161:sc= -0.072 (180deg=-0.513) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 41:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.510 -9.474 -13.404 1.00 0.00 N ATOM 2 CA GLY A 1 -11.072 -8.717 -12.247 1.00 0.00 C ATOM 3 C GLY A 1 -12.155 -7.805 -11.707 1.00 0.00 C ATOM 4 O GLY A 1 -12.982 -7.295 -12.464 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.714 -9.592 -14.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.849 -10.409 -13.099 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.281 -8.965 -13.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.758 -9.406 -11.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.200 -8.121 -12.516 1.00 0.00 H new ATOM 8 N SER A 2 -12.154 -7.600 -10.394 1.00 0.00 N ATOM 9 CA SER A 2 -13.148 -6.747 -9.752 1.00 0.00 C ATOM 10 C SER A 2 -13.144 -5.351 -10.367 1.00 0.00 C ATOM 11 O SER A 2 -12.227 -4.987 -11.103 1.00 0.00 O ATOM 12 CB SER A 2 -12.879 -6.656 -8.249 1.00 0.00 C ATOM 13 OG SER A 2 -13.990 -6.105 -7.564 1.00 0.00 O ATOM 0 H SER A 2 -11.476 -8.013 -9.754 1.00 0.00 H new ATOM 0 HA SER A 2 -14.130 -7.192 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.661 -7.649 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.997 -6.041 -8.071 1.00 0.00 H new ATOM 0 HG SER A 2 -13.793 -6.059 -6.605 1.00 0.00 H new ATOM 19 N SER A 3 -14.177 -4.573 -10.058 1.00 0.00 N ATOM 20 CA SER A 3 -14.296 -3.217 -10.583 1.00 0.00 C ATOM 21 C SER A 3 -14.545 -2.219 -9.456 1.00 0.00 C ATOM 22 O SER A 3 -13.884 -1.185 -9.371 1.00 0.00 O ATOM 23 CB SER A 3 -15.430 -3.142 -11.607 1.00 0.00 C ATOM 24 OG SER A 3 -16.674 -3.475 -11.015 1.00 0.00 O ATOM 0 H SER A 3 -14.943 -4.858 -9.447 1.00 0.00 H new ATOM 0 HA SER A 3 -13.357 -2.959 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.480 -2.137 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.223 -3.822 -12.434 1.00 0.00 H new ATOM 0 HG SER A 3 -17.383 -3.418 -11.689 1.00 0.00 H new ATOM 30 N GLY A 4 -15.505 -2.538 -8.593 1.00 0.00 N ATOM 31 CA GLY A 4 -15.825 -1.660 -7.483 1.00 0.00 C ATOM 32 C GLY A 4 -15.430 -2.250 -6.144 1.00 0.00 C ATOM 33 O GLY A 4 -15.065 -3.422 -6.058 1.00 0.00 O ATOM 0 H GLY A 4 -16.066 -3.388 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.316 -0.706 -7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.895 -1.454 -7.484 1.00 0.00 H new ATOM 37 N SER A 5 -15.502 -1.436 -5.095 1.00 0.00 N ATOM 38 CA SER A 5 -15.143 -1.883 -3.754 1.00 0.00 C ATOM 39 C SER A 5 -16.249 -1.551 -2.757 1.00 0.00 C ATOM 40 O SER A 5 -16.875 -0.494 -2.837 1.00 0.00 O ATOM 41 CB SER A 5 -13.830 -1.234 -3.312 1.00 0.00 C ATOM 42 OG SER A 5 -13.924 0.179 -3.340 1.00 0.00 O ATOM 0 H SER A 5 -15.806 -0.464 -5.148 1.00 0.00 H new ATOM 0 HA SER A 5 -15.014 -2.965 -3.780 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.579 -1.565 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.021 -1.561 -3.966 1.00 0.00 H new ATOM 0 HG SER A 5 -13.073 0.569 -3.052 1.00 0.00 H new ATOM 48 N SER A 6 -16.484 -2.462 -1.819 1.00 0.00 N ATOM 49 CA SER A 6 -17.517 -2.269 -0.807 1.00 0.00 C ATOM 50 C SER A 6 -16.938 -1.610 0.441 1.00 0.00 C ATOM 51 O SER A 6 -17.511 -0.664 0.980 1.00 0.00 O ATOM 52 CB SER A 6 -18.158 -3.609 -0.440 1.00 0.00 C ATOM 53 OG SER A 6 -17.174 -4.563 -0.082 1.00 0.00 O ATOM 0 H SER A 6 -15.973 -3.341 -1.738 1.00 0.00 H new ATOM 0 HA SER A 6 -18.280 -1.611 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.852 -3.469 0.389 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.740 -3.981 -1.284 1.00 0.00 H new ATOM 0 HG SER A 6 -17.609 -5.410 0.150 1.00 0.00 H new ATOM 59 N GLY A 7 -15.797 -2.119 0.897 1.00 0.00 N ATOM 60 CA GLY A 7 -15.159 -1.569 2.078 1.00 0.00 C ATOM 61 C GLY A 7 -14.700 -2.644 3.043 1.00 0.00 C ATOM 62 O GLY A 7 -15.279 -2.814 4.116 1.00 0.00 O ATOM 0 H GLY A 7 -15.304 -2.902 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.303 -0.966 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.856 -0.902 2.586 1.00 0.00 H new ATOM 66 N TYR A 8 -13.657 -3.374 2.660 1.00 0.00 N ATOM 67 CA TYR A 8 -13.123 -4.441 3.497 1.00 0.00 C ATOM 68 C TYR A 8 -12.337 -3.870 4.673 1.00 0.00 C ATOM 69 O TYR A 8 -12.554 -4.249 5.823 1.00 0.00 O ATOM 70 CB TYR A 8 -12.227 -5.365 2.671 1.00 0.00 C ATOM 71 CG TYR A 8 -12.972 -6.509 2.020 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.000 -6.269 1.116 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.648 -7.829 2.308 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.684 -7.310 0.520 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.325 -8.876 1.716 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.343 -8.612 0.823 1.00 0.00 C ATOM 77 OH TYR A 8 -15.021 -9.652 0.230 1.00 0.00 O ATOM 0 H TYR A 8 -13.165 -3.246 1.776 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.963 -5.015 3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.730 -4.779 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.446 -5.770 3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.268 -5.251 0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.852 -8.040 3.007 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.481 -7.106 -0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.059 -9.896 1.950 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.658 -10.504 0.550 1.00 0.00 H new ATOM 87 N GLY A 9 -11.421 -2.953 4.375 1.00 0.00 N ATOM 88 CA GLY A 9 -10.616 -2.343 5.417 1.00 0.00 C ATOM 89 C GLY A 9 -9.245 -1.927 4.921 1.00 0.00 C ATOM 90 O GLY A 9 -8.727 -2.494 3.959 1.00 0.00 O ATOM 0 H GLY A 9 -11.222 -2.622 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.137 -1.470 5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.503 -3.046 6.243 1.00 0.00 H new ATOM 94 N SER A 10 -8.656 -0.933 5.578 1.00 0.00 N ATOM 95 CA SER A 10 -7.339 -0.438 5.196 1.00 0.00 C ATOM 96 C SER A 10 -6.241 -1.157 5.973 1.00 0.00 C ATOM 97 O SER A 10 -5.147 -1.382 5.457 1.00 0.00 O ATOM 98 CB SER A 10 -7.247 1.070 5.438 1.00 0.00 C ATOM 99 OG SER A 10 -8.428 1.728 5.013 1.00 0.00 O ATOM 0 H SER A 10 -9.070 -0.454 6.378 1.00 0.00 H new ATOM 0 HA SER A 10 -7.198 -0.638 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.082 1.262 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.388 1.476 4.903 1.00 0.00 H new ATOM 0 HG SER A 10 -8.414 2.658 5.322 1.00 0.00 H new ATOM 105 N GLU A 11 -6.543 -1.515 7.217 1.00 0.00 N ATOM 106 CA GLU A 11 -5.581 -2.208 8.067 1.00 0.00 C ATOM 107 C GLU A 11 -5.965 -3.675 8.237 1.00 0.00 C ATOM 108 O GLU A 11 -7.143 -4.012 8.355 1.00 0.00 O ATOM 109 CB GLU A 11 -5.495 -1.530 9.435 1.00 0.00 C ATOM 110 CG GLU A 11 -4.805 -2.377 10.492 1.00 0.00 C ATOM 111 CD GLU A 11 -5.026 -1.851 11.897 1.00 0.00 C ATOM 112 OE1 GLU A 11 -5.079 -0.615 12.067 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.147 -2.677 12.826 1.00 0.00 O ATOM 0 H GLU A 11 -7.445 -1.337 7.659 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.605 -2.159 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.959 -0.587 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.502 -1.288 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.174 -3.401 10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.735 -2.410 10.284 1.00 0.00 H new ATOM 120 N LYS A 12 -4.960 -4.546 8.249 1.00 0.00 N ATOM 121 CA LYS A 12 -5.189 -5.977 8.405 1.00 0.00 C ATOM 122 C LYS A 12 -3.878 -6.713 8.658 1.00 0.00 C ATOM 123 O LYS A 12 -2.937 -6.616 7.869 1.00 0.00 O ATOM 124 CB LYS A 12 -5.874 -6.544 7.160 1.00 0.00 C ATOM 125 CG LYS A 12 -5.896 -8.062 7.116 1.00 0.00 C ATOM 126 CD LYS A 12 -6.523 -8.574 5.830 1.00 0.00 C ATOM 127 CE LYS A 12 -6.237 -10.053 5.620 1.00 0.00 C ATOM 128 NZ LYS A 12 -6.698 -10.876 6.773 1.00 0.00 N ATOM 0 H LYS A 12 -3.979 -4.285 8.152 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.839 -6.124 9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.898 -6.173 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.363 -6.171 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.879 -8.444 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.454 -8.444 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.600 -8.411 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.138 -8.004 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.732 -10.393 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.167 -10.199 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.626 -11.885 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.103 -10.676 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.687 -10.643 6.993 1.00 0.00 H new ATOM 142 N LYS A 13 -3.821 -7.451 9.761 1.00 0.00 N ATOM 143 CA LYS A 13 -2.626 -8.207 10.117 1.00 0.00 C ATOM 144 C LYS A 13 -2.895 -9.707 10.062 1.00 0.00 C ATOM 145 O LYS A 13 -3.666 -10.240 10.860 1.00 0.00 O ATOM 146 CB LYS A 13 -2.147 -7.815 11.516 1.00 0.00 C ATOM 147 CG LYS A 13 -0.849 -8.488 11.925 1.00 0.00 C ATOM 148 CD LYS A 13 -0.160 -7.733 13.050 1.00 0.00 C ATOM 149 CE LYS A 13 -0.971 -7.787 14.336 1.00 0.00 C ATOM 150 NZ LYS A 13 -0.117 -7.584 15.539 1.00 0.00 N ATOM 0 H LYS A 13 -4.590 -7.542 10.425 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.847 -7.969 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -2.014 -6.734 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.921 -8.068 12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.053 -9.510 12.243 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.183 -8.549 11.065 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.828 -8.159 13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.012 -6.694 12.755 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.747 -7.022 14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.475 -8.751 14.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.707 -7.628 16.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.608 -8.328 15.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 0.345 -6.654 15.484 1.00 0.00 H new ATOM 164 N GLY A 14 -2.253 -10.385 9.115 1.00 0.00 N ATOM 165 CA GLY A 14 -2.436 -11.818 8.975 1.00 0.00 C ATOM 166 C GLY A 14 -1.194 -12.512 8.450 1.00 0.00 C ATOM 167 O GLY A 14 -0.076 -12.178 8.841 1.00 0.00 O ATOM 0 H GLY A 14 -1.610 -9.967 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.705 -12.243 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.269 -12.011 8.299 1.00 0.00 H new ATOM 171 N TYR A 15 -1.391 -13.481 7.563 1.00 0.00 N ATOM 172 CA TYR A 15 -0.279 -14.227 6.987 1.00 0.00 C ATOM 173 C TYR A 15 -0.462 -14.404 5.483 1.00 0.00 C ATOM 174 O TYR A 15 -1.587 -14.430 4.981 1.00 0.00 O ATOM 175 CB TYR A 15 -0.151 -15.595 7.660 1.00 0.00 C ATOM 176 CG TYR A 15 0.579 -15.552 8.983 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.034 -14.895 10.079 1.00 0.00 C ATOM 178 CD2 TYR A 15 1.815 -16.169 9.138 1.00 0.00 C ATOM 179 CE1 TYR A 15 0.698 -14.852 11.290 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.485 -16.133 10.345 1.00 0.00 C ATOM 181 CZ TYR A 15 1.922 -15.474 11.418 1.00 0.00 C ATOM 182 OH TYR A 15 2.588 -15.435 12.622 1.00 0.00 O ATOM 0 H TYR A 15 -2.310 -13.768 7.227 1.00 0.00 H new ATOM 0 HA TYR A 15 0.634 -13.657 7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.147 -16.008 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.373 -16.274 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.926 -14.409 9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.259 -16.686 8.300 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.261 -14.334 12.131 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.444 -16.618 10.448 1.00 0.00 H new ATOM 0 HH TYR A 15 3.435 -15.922 12.543 1.00 0.00 H new ATOM 192 N LEU A 16 0.651 -14.524 4.768 1.00 0.00 N ATOM 193 CA LEU A 16 0.616 -14.699 3.320 1.00 0.00 C ATOM 194 C LEU A 16 1.780 -15.564 2.847 1.00 0.00 C ATOM 195 O LEU A 16 2.784 -15.707 3.546 1.00 0.00 O ATOM 196 CB LEU A 16 0.659 -13.339 2.621 1.00 0.00 C ATOM 197 CG LEU A 16 -0.693 -12.670 2.371 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.501 -11.227 1.929 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.490 -13.447 1.333 1.00 0.00 C ATOM 0 H LEU A 16 1.589 -14.503 5.167 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.315 -15.204 3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.271 -12.664 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.164 -13.461 1.663 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.255 -12.671 3.305 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.474 -10.767 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.028 -10.676 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.081 -11.203 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.449 -12.956 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.933 -13.479 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.659 -14.463 1.690 1.00 0.00 H new ATOM 211 N LEU A 17 1.640 -16.136 1.656 1.00 0.00 N ATOM 212 CA LEU A 17 2.681 -16.985 1.088 1.00 0.00 C ATOM 213 C LEU A 17 3.654 -16.164 0.247 1.00 0.00 C ATOM 214 O LEU A 17 3.276 -15.160 -0.356 1.00 0.00 O ATOM 215 CB LEU A 17 2.056 -18.089 0.234 1.00 0.00 C ATOM 216 CG LEU A 17 1.183 -19.101 0.978 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.593 -20.112 0.008 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.988 -19.804 2.061 1.00 0.00 C ATOM 0 H LEU A 17 0.816 -16.027 1.065 1.00 0.00 H new ATOM 0 HA LEU A 17 3.234 -17.440 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.452 -17.621 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.858 -18.631 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 17 0.362 -18.564 1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.025 -20.824 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.018 -19.594 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.399 -20.645 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.351 -20.520 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.829 -20.328 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.361 -19.068 2.773 1.00 0.00 H new ATOM 230 N LYS A 18 4.908 -16.601 0.209 1.00 0.00 N ATOM 231 CA LYS A 18 5.936 -15.910 -0.561 1.00 0.00 C ATOM 232 C LYS A 18 6.746 -16.897 -1.395 1.00 0.00 C ATOM 233 O LYS A 18 7.116 -17.971 -0.920 1.00 0.00 O ATOM 234 CB LYS A 18 6.865 -15.132 0.373 1.00 0.00 C ATOM 235 CG LYS A 18 6.399 -13.713 0.651 1.00 0.00 C ATOM 236 CD LYS A 18 7.370 -12.975 1.558 1.00 0.00 C ATOM 237 CE LYS A 18 8.479 -12.305 0.760 1.00 0.00 C ATOM 238 NZ LYS A 18 7.950 -11.245 -0.142 1.00 0.00 N ATOM 0 H LYS A 18 5.237 -17.431 0.702 1.00 0.00 H new ATOM 0 HA LYS A 18 5.441 -15.211 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.950 -15.669 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.862 -15.099 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.296 -13.172 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.413 -13.737 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.831 -12.224 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.805 -13.674 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.207 -11.869 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.006 -13.055 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.154 -11.496 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.922 -11.160 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.404 -10.337 0.085 1.00 0.00 H new ATOM 252 N LYS A 19 7.021 -16.525 -2.641 1.00 0.00 N ATOM 253 CA LYS A 19 7.790 -17.376 -3.541 1.00 0.00 C ATOM 254 C LYS A 19 9.284 -17.094 -3.413 1.00 0.00 C ATOM 255 O LYS A 19 9.735 -15.971 -3.640 1.00 0.00 O ATOM 256 CB LYS A 19 7.342 -17.159 -4.988 1.00 0.00 C ATOM 257 CG LYS A 19 7.498 -18.390 -5.864 1.00 0.00 C ATOM 258 CD LYS A 19 7.606 -18.019 -7.334 1.00 0.00 C ATOM 259 CE LYS A 19 6.238 -17.759 -7.945 1.00 0.00 C ATOM 260 NZ LYS A 19 5.830 -16.334 -7.807 1.00 0.00 N ATOM 0 H LYS A 19 6.723 -15.640 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 19 7.609 -18.414 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.297 -16.850 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.919 -16.341 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.387 -18.943 -5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.645 -19.053 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.228 -17.131 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.102 -18.823 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.254 -18.031 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.498 -18.397 -7.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.947 -16.277 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.577 -15.805 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.680 -15.923 -8.750 1.00 0.00 H new ATOM 274 N SER A 20 10.047 -18.120 -3.049 1.00 0.00 N ATOM 275 CA SER A 20 11.489 -17.981 -2.889 1.00 0.00 C ATOM 276 C SER A 20 12.142 -17.550 -4.199 1.00 0.00 C ATOM 277 O SER A 20 11.763 -18.011 -5.275 1.00 0.00 O ATOM 278 CB SER A 20 12.100 -19.300 -2.412 1.00 0.00 C ATOM 279 OG SER A 20 13.503 -19.184 -2.252 1.00 0.00 O ATOM 0 H SER A 20 9.690 -19.056 -2.859 1.00 0.00 H new ATOM 0 HA SER A 20 11.674 -17.211 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.646 -19.593 -1.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.877 -20.089 -3.131 1.00 0.00 H new ATOM 0 HG SER A 20 13.869 -20.040 -1.945 1.00 0.00 H new ATOM 285 N ASP A 21 13.126 -16.662 -4.098 1.00 0.00 N ATOM 286 CA ASP A 21 13.834 -16.168 -5.273 1.00 0.00 C ATOM 287 C ASP A 21 15.094 -16.987 -5.533 1.00 0.00 C ATOM 288 O ASP A 21 15.834 -17.316 -4.607 1.00 0.00 O ATOM 289 CB ASP A 21 14.197 -14.693 -5.094 1.00 0.00 C ATOM 290 CG ASP A 21 15.109 -14.462 -3.906 1.00 0.00 C ATOM 291 OD1 ASP A 21 14.631 -14.577 -2.758 1.00 0.00 O ATOM 292 OD2 ASP A 21 16.303 -14.167 -4.124 1.00 0.00 O ATOM 0 H ASP A 21 13.451 -16.270 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 21 13.173 -16.269 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.684 -14.329 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.285 -14.110 -4.967 1.00 0.00 H new ATOM 297 N GLY A 22 15.331 -17.314 -6.799 1.00 0.00 N ATOM 298 CA GLY A 22 16.502 -18.093 -7.158 1.00 0.00 C ATOM 299 C GLY A 22 16.174 -19.233 -8.101 1.00 0.00 C ATOM 300 O GLY A 22 15.471 -19.043 -9.094 1.00 0.00 O ATOM 0 H GLY A 22 14.733 -17.053 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.239 -17.440 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.959 -18.494 -6.253 1.00 0.00 H new ATOM 304 N ILE A 23 16.683 -20.421 -7.791 1.00 0.00 N ATOM 305 CA ILE A 23 16.440 -21.595 -8.619 1.00 0.00 C ATOM 306 C ILE A 23 15.242 -22.389 -8.110 1.00 0.00 C ATOM 307 O ILE A 23 14.364 -22.772 -8.883 1.00 0.00 O ATOM 308 CB ILE A 23 17.672 -22.519 -8.663 1.00 0.00 C ATOM 309 CG1 ILE A 23 18.930 -21.711 -8.987 1.00 0.00 C ATOM 310 CG2 ILE A 23 17.468 -23.626 -9.686 1.00 0.00 C ATOM 311 CD1 ILE A 23 19.485 -20.954 -7.800 1.00 0.00 C ATOM 0 H ILE A 23 17.266 -20.595 -6.972 1.00 0.00 H new ATOM 0 HA ILE A 23 16.232 -21.232 -9.626 1.00 0.00 H new ATOM 0 HB ILE A 23 17.800 -22.977 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 23 19.697 -22.385 -9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 23 18.702 -21.004 -9.784 1.00 0.00 H new ATOM 0 HG21 ILE A 23 18.347 -24.270 -9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.592 -24.215 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 23 17.319 -23.187 -10.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 20.376 -20.404 -8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 23 18.735 -20.254 -7.431 1.00 0.00 H new ATOM 0 HD13 ILE A 23 19.745 -21.657 -7.009 1.00 0.00 H new ATOM 323 N ARG A 24 15.211 -22.630 -6.803 1.00 0.00 N ATOM 324 CA ARG A 24 14.120 -23.378 -6.190 1.00 0.00 C ATOM 325 C ARG A 24 12.941 -22.461 -5.879 1.00 0.00 C ATOM 326 O ARG A 24 12.759 -22.029 -4.740 1.00 0.00 O ATOM 327 CB ARG A 24 14.599 -24.062 -4.908 1.00 0.00 C ATOM 328 CG ARG A 24 13.577 -25.011 -4.305 1.00 0.00 C ATOM 329 CD ARG A 24 13.617 -26.374 -4.978 1.00 0.00 C ATOM 330 NE ARG A 24 12.560 -27.256 -4.491 1.00 0.00 N ATOM 331 CZ ARG A 24 12.271 -28.430 -5.042 1.00 0.00 C ATOM 332 NH1 ARG A 24 12.956 -28.861 -6.092 1.00 0.00 N ATOM 333 NH2 ARG A 24 11.294 -29.176 -4.542 1.00 0.00 N ATOM 0 H ARG A 24 15.929 -22.318 -6.149 1.00 0.00 H new ATOM 0 HA ARG A 24 13.791 -24.138 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.514 -24.615 -5.121 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.852 -23.299 -4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.770 -25.125 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.579 -24.584 -4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.517 -26.249 -6.056 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.587 -26.838 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 24 12.014 -26.954 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.708 -28.291 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.731 -29.763 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.764 -28.848 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.073 -30.077 -4.965 1.00 0.00 H new ATOM 347 N LYS A 25 12.142 -22.167 -6.899 1.00 0.00 N ATOM 348 CA LYS A 25 10.979 -21.302 -6.736 1.00 0.00 C ATOM 349 C LYS A 25 9.805 -22.075 -6.144 1.00 0.00 C ATOM 350 O LYS A 25 9.205 -22.919 -6.810 1.00 0.00 O ATOM 351 CB LYS A 25 10.577 -20.695 -8.082 1.00 0.00 C ATOM 352 CG LYS A 25 11.600 -19.720 -8.639 1.00 0.00 C ATOM 353 CD LYS A 25 10.986 -18.805 -9.686 1.00 0.00 C ATOM 354 CE LYS A 25 10.748 -19.540 -10.997 1.00 0.00 C ATOM 355 NZ LYS A 25 11.938 -19.481 -11.889 1.00 0.00 N ATOM 0 H LYS A 25 12.278 -22.515 -7.848 1.00 0.00 H new ATOM 0 HA LYS A 25 11.247 -20.500 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.424 -21.499 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.622 -20.182 -7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.012 -19.121 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.429 -20.273 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.042 -18.407 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.645 -17.954 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.500 -20.581 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.889 -19.104 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.736 -19.993 -12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.159 -18.489 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.751 -19.920 -11.412 1.00 0.00 H new ATOM 369 N VAL A 26 9.480 -21.780 -4.889 1.00 0.00 N ATOM 370 CA VAL A 26 8.376 -22.445 -4.208 1.00 0.00 C ATOM 371 C VAL A 26 7.702 -21.510 -3.210 1.00 0.00 C ATOM 372 O VAL A 26 8.338 -20.611 -2.660 1.00 0.00 O ATOM 373 CB VAL A 26 8.852 -23.710 -3.469 1.00 0.00 C ATOM 374 CG1 VAL A 26 9.454 -24.706 -4.449 1.00 0.00 C ATOM 375 CG2 VAL A 26 9.854 -23.346 -2.383 1.00 0.00 C ATOM 0 H VAL A 26 9.966 -21.084 -4.323 1.00 0.00 H new ATOM 0 HA VAL A 26 7.657 -22.731 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 26 7.990 -24.179 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.785 -25.593 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.704 -24.989 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.306 -24.250 -4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 26 10.180 -24.251 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.716 -22.853 -2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.385 -22.672 -1.666 1.00 0.00 H new ATOM 385 N TRP A 27 6.412 -21.728 -2.982 1.00 0.00 N ATOM 386 CA TRP A 27 5.651 -20.905 -2.049 1.00 0.00 C ATOM 387 C TRP A 27 5.797 -21.422 -0.622 1.00 0.00 C ATOM 388 O TRP A 27 5.604 -22.609 -0.361 1.00 0.00 O ATOM 389 CB TRP A 27 4.175 -20.879 -2.446 1.00 0.00 C ATOM 390 CG TRP A 27 3.934 -20.280 -3.799 1.00 0.00 C ATOM 391 CD1 TRP A 27 3.769 -20.954 -4.976 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.835 -18.887 -4.115 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.572 -20.064 -6.004 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.607 -18.790 -5.501 1.00 0.00 C ATOM 395 CE3 TRP A 27 3.913 -17.714 -3.361 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.460 -17.565 -6.147 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.767 -16.499 -4.003 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.541 -16.432 -5.384 1.00 0.00 C ATOM 0 H TRP A 27 5.871 -22.468 -3.430 1.00 0.00 H new ATOM 0 HA TRP A 27 6.049 -19.891 -2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.785 -21.897 -2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.616 -20.313 -1.701 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.790 -22.029 -5.083 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.424 -20.311 -6.982 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.084 -17.756 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.288 -17.511 -7.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.828 -15.585 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.428 -15.467 -5.856 1.00 0.00 H new ATOM 409 N GLN A 28 6.139 -20.525 0.297 1.00 0.00 N ATOM 410 CA GLN A 28 6.312 -20.893 1.697 1.00 0.00 C ATOM 411 C GLN A 28 5.504 -19.971 2.605 1.00 0.00 C ATOM 412 O GLN A 28 5.421 -18.766 2.368 1.00 0.00 O ATOM 413 CB GLN A 28 7.791 -20.840 2.082 1.00 0.00 C ATOM 414 CG GLN A 28 8.578 -22.065 1.646 1.00 0.00 C ATOM 415 CD GLN A 28 8.403 -23.237 2.592 1.00 0.00 C ATOM 416 OE1 GLN A 28 8.499 -23.086 3.810 1.00 0.00 O ATOM 417 NE2 GLN A 28 8.145 -24.415 2.035 1.00 0.00 N ATOM 0 H GLN A 28 6.302 -19.538 0.097 1.00 0.00 H new ATOM 0 HA GLN A 28 5.947 -21.912 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.242 -19.952 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.873 -20.732 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.260 -22.359 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.636 -21.809 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.074 -24.495 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.018 -25.240 2.622 1.00 0.00 H new ATOM 426 N ARG A 29 4.910 -20.546 3.646 1.00 0.00 N ATOM 427 CA ARG A 29 4.107 -19.776 4.589 1.00 0.00 C ATOM 428 C ARG A 29 4.926 -18.644 5.202 1.00 0.00 C ATOM 429 O ARG A 29 6.033 -18.862 5.695 1.00 0.00 O ATOM 430 CB ARG A 29 3.568 -20.686 5.694 1.00 0.00 C ATOM 431 CG ARG A 29 2.518 -20.023 6.570 1.00 0.00 C ATOM 432 CD ARG A 29 3.150 -19.317 7.759 1.00 0.00 C ATOM 433 NE ARG A 29 2.252 -19.271 8.910 1.00 0.00 N ATOM 434 CZ ARG A 29 2.009 -20.315 9.695 1.00 0.00 C ATOM 435 NH1 ARG A 29 2.595 -21.479 9.456 1.00 0.00 N ATOM 436 NH2 ARG A 29 1.179 -20.194 10.723 1.00 0.00 N ATOM 0 H ARG A 29 4.970 -21.542 3.858 1.00 0.00 H new ATOM 0 HA ARG A 29 3.269 -19.342 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.139 -21.580 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.398 -21.013 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.950 -19.305 5.979 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.812 -20.774 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.070 -19.830 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.425 -18.302 7.473 1.00 0.00 H new ATOM 0 HE ARG A 29 1.786 -18.389 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.235 -21.575 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.406 -22.279 10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.727 -19.299 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.993 -20.996 11.325 1.00 0.00 H new ATOM 450 N ARG A 30 4.374 -17.436 5.166 1.00 0.00 N ATOM 451 CA ARG A 30 5.054 -16.269 5.717 1.00 0.00 C ATOM 452 C ARG A 30 4.070 -15.364 6.454 1.00 0.00 C ATOM 453 O ARG A 30 2.864 -15.414 6.213 1.00 0.00 O ATOM 454 CB ARG A 30 5.748 -15.484 4.602 1.00 0.00 C ATOM 455 CG ARG A 30 7.182 -15.923 4.351 1.00 0.00 C ATOM 456 CD ARG A 30 8.064 -15.668 5.563 1.00 0.00 C ATOM 457 NE ARG A 30 7.800 -14.365 6.166 1.00 0.00 N ATOM 458 CZ ARG A 30 8.157 -14.043 7.405 1.00 0.00 C ATOM 459 NH1 ARG A 30 8.788 -14.925 8.167 1.00 0.00 N ATOM 460 NH2 ARG A 30 7.882 -12.836 7.883 1.00 0.00 N ATOM 0 H ARG A 30 3.459 -17.239 4.762 1.00 0.00 H new ATOM 0 HA ARG A 30 5.803 -16.618 6.428 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.176 -15.595 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.740 -14.424 4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.200 -16.984 4.103 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.582 -15.388 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.898 -16.451 6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.112 -15.725 5.268 1.00 0.00 H new ATOM 0 HE ARG A 30 7.315 -13.664 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.001 -15.854 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.061 -14.675 9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.396 -12.155 7.299 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.156 -12.589 8.834 1.00 0.00 H new ATOM 474 N LYS A 31 4.594 -14.538 7.353 1.00 0.00 N ATOM 475 CA LYS A 31 3.764 -13.622 8.125 1.00 0.00 C ATOM 476 C LYS A 31 3.767 -12.229 7.503 1.00 0.00 C ATOM 477 O LYS A 31 4.826 -11.661 7.235 1.00 0.00 O ATOM 478 CB LYS A 31 4.261 -13.546 9.571 1.00 0.00 C ATOM 479 CG LYS A 31 3.248 -12.948 10.532 1.00 0.00 C ATOM 480 CD LYS A 31 3.237 -11.430 10.456 1.00 0.00 C ATOM 481 CE LYS A 31 2.676 -10.813 11.727 1.00 0.00 C ATOM 482 NZ LYS A 31 2.866 -9.336 11.758 1.00 0.00 N ATOM 0 H LYS A 31 5.590 -14.484 7.565 1.00 0.00 H new ATOM 0 HA LYS A 31 2.743 -14.003 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.523 -14.549 9.910 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.174 -12.951 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.255 -13.332 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.482 -13.261 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.251 -11.066 10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.640 -11.112 9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.614 -11.044 11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.163 -11.260 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.260 -9.056 12.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.521 -9.054 11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.950 -8.865 11.616 1.00 0.00 H new ATOM 496 N CYS A 32 2.577 -11.685 7.276 1.00 0.00 N ATOM 497 CA CYS A 32 2.442 -10.358 6.685 1.00 0.00 C ATOM 498 C CYS A 32 1.547 -9.470 7.543 1.00 0.00 C ATOM 499 O CYS A 32 0.817 -9.956 8.406 1.00 0.00 O ATOM 500 CB CYS A 32 1.872 -10.463 5.270 1.00 0.00 C ATOM 501 SG CYS A 32 3.077 -10.980 4.025 1.00 0.00 S ATOM 0 H CYS A 32 1.691 -12.142 7.492 1.00 0.00 H new ATOM 0 HA CYS A 32 3.433 -9.906 6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.044 -11.172 5.275 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.461 -9.495 4.983 1.00 0.00 H new ATOM 0 HG CYS A 32 2.563 -10.839 2.839 1.00 0.00 H new ATOM 507 N SER A 33 1.611 -8.164 7.300 1.00 0.00 N ATOM 508 CA SER A 33 0.810 -7.207 8.053 1.00 0.00 C ATOM 509 C SER A 33 0.634 -5.910 7.269 1.00 0.00 C ATOM 510 O SER A 33 1.510 -5.510 6.503 1.00 0.00 O ATOM 511 CB SER A 33 1.466 -6.913 9.404 1.00 0.00 C ATOM 512 OG SER A 33 0.535 -6.346 10.310 1.00 0.00 O ATOM 0 H SER A 33 2.209 -7.745 6.588 1.00 0.00 H new ATOM 0 HA SER A 33 -0.173 -7.646 8.221 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.871 -7.834 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.304 -6.230 9.264 1.00 0.00 H new ATOM 0 HG SER A 33 1.017 -5.883 11.027 1.00 0.00 H new ATOM 518 N VAL A 34 -0.507 -5.257 7.466 1.00 0.00 N ATOM 519 CA VAL A 34 -0.801 -4.005 6.779 1.00 0.00 C ATOM 520 C VAL A 34 -1.458 -3.003 7.720 1.00 0.00 C ATOM 521 O VAL A 34 -2.455 -3.310 8.375 1.00 0.00 O ATOM 522 CB VAL A 34 -1.721 -4.233 5.565 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.462 -2.954 5.208 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.919 -4.744 4.377 1.00 0.00 C ATOM 0 H VAL A 34 -1.243 -5.575 8.096 1.00 0.00 H new ATOM 0 HA VAL A 34 0.151 -3.603 6.433 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.459 -4.990 5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.107 -3.135 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.069 -2.636 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.742 -2.173 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.585 -4.900 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.157 -4.012 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.440 -5.687 4.640 1.00 0.00 H new ATOM 534 N LYS A 35 -0.895 -1.801 7.783 1.00 0.00 N ATOM 535 CA LYS A 35 -1.427 -0.750 8.643 1.00 0.00 C ATOM 536 C LYS A 35 -0.802 0.599 8.303 1.00 0.00 C ATOM 537 O LYS A 35 0.402 0.695 8.071 1.00 0.00 O ATOM 538 CB LYS A 35 -1.170 -1.087 10.113 1.00 0.00 C ATOM 539 CG LYS A 35 -1.443 0.070 11.059 1.00 0.00 C ATOM 540 CD LYS A 35 -1.105 -0.293 12.496 1.00 0.00 C ATOM 541 CE LYS A 35 0.398 -0.362 12.714 1.00 0.00 C ATOM 542 NZ LYS A 35 0.740 -0.997 14.018 1.00 0.00 N ATOM 0 H LYS A 35 -0.070 -1.530 7.248 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.502 -0.686 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.795 -1.933 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.133 -1.403 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.857 0.937 10.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.493 0.356 10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.538 0.446 13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.554 -1.254 12.745 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.857 -0.927 11.903 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.817 0.644 12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.774 -1.026 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.323 -0.444 14.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.362 -1.966 14.042 1.00 0.00 H new ATOM 556 N ASN A 36 -1.629 1.639 8.277 1.00 0.00 N ATOM 557 CA ASN A 36 -1.157 2.984 7.966 1.00 0.00 C ATOM 558 C ASN A 36 -0.578 3.045 6.556 1.00 0.00 C ATOM 559 O ASN A 36 0.276 3.879 6.259 1.00 0.00 O ATOM 560 CB ASN A 36 -0.100 3.423 8.982 1.00 0.00 C ATOM 561 CG ASN A 36 -0.714 3.923 10.276 1.00 0.00 C ATOM 562 OD1 ASN A 36 -1.771 4.553 10.271 1.00 0.00 O ATOM 563 ND2 ASN A 36 -0.052 3.642 11.392 1.00 0.00 N ATOM 0 H ASN A 36 -2.629 1.577 8.467 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.008 3.662 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.563 2.585 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.514 4.211 8.546 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.417 3.951 12.293 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.821 3.117 11.348 1.00 0.00 H new ATOM 570 N GLY A 37 -1.052 2.155 5.689 1.00 0.00 N ATOM 571 CA GLY A 37 -0.571 2.125 4.320 1.00 0.00 C ATOM 572 C GLY A 37 0.844 1.592 4.214 1.00 0.00 C ATOM 573 O GLY A 37 1.649 2.101 3.434 1.00 0.00 O ATOM 0 H GLY A 37 -1.760 1.455 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.235 1.505 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.609 3.131 3.903 1.00 0.00 H new ATOM 577 N ILE A 38 1.148 0.565 5.000 1.00 0.00 N ATOM 578 CA ILE A 38 2.476 -0.036 4.991 1.00 0.00 C ATOM 579 C ILE A 38 2.397 -1.546 5.192 1.00 0.00 C ATOM 580 O ILE A 38 1.625 -2.034 6.019 1.00 0.00 O ATOM 581 CB ILE A 38 3.376 0.569 6.085 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.395 2.095 5.973 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.786 0.008 5.981 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.073 2.601 4.719 1.00 0.00 C ATOM 0 H ILE A 38 0.493 0.132 5.651 1.00 0.00 H new ATOM 0 HA ILE A 38 2.912 0.177 4.015 1.00 0.00 H new ATOM 0 HB ILE A 38 2.970 0.299 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.370 2.466 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.904 2.509 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.410 0.445 6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.757 -1.075 6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.203 0.251 5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.049 3.691 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.108 2.261 4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.551 2.217 3.843 1.00 0.00 H new ATOM 596 N LEU A 39 3.202 -2.281 4.432 1.00 0.00 N ATOM 597 CA LEU A 39 3.225 -3.736 4.528 1.00 0.00 C ATOM 598 C LEU A 39 4.477 -4.214 5.257 1.00 0.00 C ATOM 599 O LEU A 39 5.593 -4.072 4.757 1.00 0.00 O ATOM 600 CB LEU A 39 3.166 -4.359 3.132 1.00 0.00 C ATOM 601 CG LEU A 39 3.544 -5.838 3.040 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.462 -6.706 3.663 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.784 -6.239 1.592 1.00 0.00 C ATOM 0 H LEU A 39 3.847 -1.893 3.743 1.00 0.00 H new ATOM 0 HA LEU A 39 2.352 -4.052 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.154 -4.239 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.828 -3.794 2.476 1.00 0.00 H new ATOM 0 HG LEU A 39 4.469 -5.991 3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.749 -7.755 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.339 -6.437 4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.521 -6.549 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.052 -7.295 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.877 -6.070 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.596 -5.641 1.178 1.00 0.00 H new ATOM 615 N THR A 40 4.283 -4.783 6.443 1.00 0.00 N ATOM 616 CA THR A 40 5.395 -5.283 7.242 1.00 0.00 C ATOM 617 C THR A 40 5.532 -6.796 7.108 1.00 0.00 C ATOM 618 O THR A 40 4.537 -7.508 6.965 1.00 0.00 O ATOM 619 CB THR A 40 5.224 -4.924 8.730 1.00 0.00 C ATOM 620 OG1 THR A 40 4.945 -3.527 8.867 1.00 0.00 O ATOM 621 CG2 THR A 40 6.476 -5.277 9.519 1.00 0.00 C ATOM 0 H THR A 40 3.366 -4.909 6.871 1.00 0.00 H new ATOM 0 HA THR A 40 6.297 -4.804 6.862 1.00 0.00 H new ATOM 0 HB THR A 40 4.389 -5.501 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.265 -3.396 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.332 -5.014 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.669 -6.347 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.326 -4.723 9.120 1.00 0.00 H new ATOM 629 N ILE A 41 6.768 -7.280 7.156 1.00 0.00 N ATOM 630 CA ILE A 41 7.033 -8.709 7.042 1.00 0.00 C ATOM 631 C ILE A 41 7.997 -9.177 8.127 1.00 0.00 C ATOM 632 O ILE A 41 9.161 -8.778 8.152 1.00 0.00 O ATOM 633 CB ILE A 41 7.619 -9.064 5.663 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.921 -8.259 4.565 1.00 0.00 C ATOM 635 CG2 ILE A 41 7.484 -10.557 5.399 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.590 -8.373 3.213 1.00 0.00 C ATOM 0 H ILE A 41 7.602 -6.704 7.273 1.00 0.00 H new ATOM 0 HA ILE A 41 6.077 -9.218 7.164 1.00 0.00 H new ATOM 0 HB ILE A 41 8.678 -8.807 5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.888 -8.596 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.891 -7.210 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.903 -10.793 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.022 -11.112 6.167 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.431 -10.836 5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.041 -7.777 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.615 -8.008 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.597 -9.416 2.897 1.00 0.00 H new ATOM 648 N SER A 42 7.504 -10.028 9.022 1.00 0.00 N ATOM 649 CA SER A 42 8.321 -10.550 10.111 1.00 0.00 C ATOM 650 C SER A 42 9.643 -11.098 9.584 1.00 0.00 C ATOM 651 O SER A 42 9.806 -11.310 8.381 1.00 0.00 O ATOM 652 CB SER A 42 7.565 -11.647 10.863 1.00 0.00 C ATOM 653 OG SER A 42 6.797 -11.103 11.922 1.00 0.00 O ATOM 0 H SER A 42 6.543 -10.370 9.014 1.00 0.00 H new ATOM 0 HA SER A 42 8.535 -9.730 10.797 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.912 -12.181 10.173 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.273 -12.375 11.260 1.00 0.00 H new ATOM 0 HG SER A 42 6.322 -11.824 12.386 1.00 0.00 H new ATOM 659 N HIS A 43 10.586 -11.326 10.492 1.00 0.00 N ATOM 660 CA HIS A 43 11.896 -11.851 10.120 1.00 0.00 C ATOM 661 C HIS A 43 12.087 -13.266 10.657 1.00 0.00 C ATOM 662 O HIS A 43 11.392 -13.689 11.580 1.00 0.00 O ATOM 663 CB HIS A 43 13.003 -10.938 10.649 1.00 0.00 C ATOM 664 CG HIS A 43 12.798 -10.509 12.069 1.00 0.00 C ATOM 665 ND1 HIS A 43 12.321 -11.187 13.139 1.00 0.00 N flip ATOM 666 CD2 HIS A 43 13.096 -9.241 12.522 1.00 0.00 C flip ATOM 667 CE1 HIS A 43 12.339 -10.326 14.208 1.00 0.00 C flip ATOM 668 NE2 HIS A 43 12.812 -9.158 13.810 1.00 0.00 N flip ATOM 0 H HIS A 43 10.468 -11.156 11.491 1.00 0.00 H new ATOM 0 HA HIS A 43 11.951 -11.884 9.032 1.00 0.00 H new ATOM 0 HB2 HIS A 43 13.959 -11.456 10.569 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.066 -10.053 10.016 1.00 0.00 H new ATOM 0 HD1 HIS A 43 12.007 -12.157 13.149 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.499 -8.441 11.919 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.019 -10.564 15.211 1.00 0.00 H new ATOM 677 N ALA A 44 13.033 -13.993 10.072 1.00 0.00 N ATOM 678 CA ALA A 44 13.316 -15.360 10.492 1.00 0.00 C ATOM 679 C ALA A 44 14.416 -15.393 11.547 1.00 0.00 C ATOM 680 O ALA A 44 14.325 -16.127 12.532 1.00 0.00 O ATOM 681 CB ALA A 44 13.706 -16.211 9.293 1.00 0.00 C ATOM 0 H ALA A 44 13.617 -13.658 9.305 1.00 0.00 H new ATOM 0 HA ALA A 44 12.410 -15.772 10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 44 13.914 -17.229 9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 44 12.887 -16.223 8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.596 -15.792 8.823 1.00 0.00 H new ATOM 687 N THR A 45 15.457 -14.594 11.335 1.00 0.00 N ATOM 688 CA THR A 45 16.576 -14.533 12.267 1.00 0.00 C ATOM 689 C THR A 45 16.454 -13.330 13.195 1.00 0.00 C ATOM 690 O THR A 45 15.708 -12.392 12.916 1.00 0.00 O ATOM 691 CB THR A 45 17.923 -14.459 11.523 1.00 0.00 C ATOM 692 OG1 THR A 45 18.971 -14.966 12.357 1.00 0.00 O ATOM 693 CG2 THR A 45 18.239 -13.028 11.117 1.00 0.00 C ATOM 0 H THR A 45 15.548 -13.980 10.526 1.00 0.00 H new ATOM 0 HA THR A 45 16.545 -15.448 12.858 1.00 0.00 H new ATOM 0 HB THR A 45 17.849 -15.068 10.622 1.00 0.00 H new ATOM 0 HG1 THR A 45 19.824 -14.917 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.195 -13.001 10.593 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.454 -12.655 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 45 18.295 -12.401 12.007 1.00 0.00 H new ATOM 701 N SER A 46 17.193 -13.363 14.300 1.00 0.00 N ATOM 702 CA SER A 46 17.165 -12.276 15.271 1.00 0.00 C ATOM 703 C SER A 46 17.741 -10.997 14.671 1.00 0.00 C ATOM 704 O SER A 46 18.890 -10.640 14.929 1.00 0.00 O ATOM 705 CB SER A 46 17.950 -12.664 16.525 1.00 0.00 C ATOM 706 OG SER A 46 18.026 -11.580 17.435 1.00 0.00 O ATOM 0 H SER A 46 17.818 -14.131 14.545 1.00 0.00 H new ATOM 0 HA SER A 46 16.126 -12.092 15.544 1.00 0.00 H new ATOM 0 HB2 SER A 46 17.471 -13.516 17.008 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.955 -12.979 16.245 1.00 0.00 H new ATOM 0 HG SER A 46 18.531 -11.854 18.229 1.00 0.00 H new ATOM 712 N ASN A 47 16.934 -10.311 13.869 1.00 0.00 N ATOM 713 CA ASN A 47 17.363 -9.071 13.231 1.00 0.00 C ATOM 714 C ASN A 47 16.870 -7.858 14.014 1.00 0.00 C ATOM 715 O ASN A 47 16.117 -7.993 14.979 1.00 0.00 O ATOM 716 CB ASN A 47 16.846 -9.008 11.793 1.00 0.00 C ATOM 717 CG ASN A 47 17.760 -8.208 10.885 1.00 0.00 C ATOM 718 OD1 ASN A 47 18.959 -8.091 11.139 1.00 0.00 O ATOM 719 ND2 ASN A 47 17.196 -7.652 9.818 1.00 0.00 N ATOM 0 H ASN A 47 15.979 -10.592 13.645 1.00 0.00 H new ATOM 0 HA ASN A 47 18.453 -9.055 13.219 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.745 -10.020 11.402 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.851 -8.563 11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.761 -7.102 9.171 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.198 -7.775 9.646 1.00 0.00 H new ATOM 726 N ARG A 48 17.300 -6.673 13.591 1.00 0.00 N ATOM 727 CA ARG A 48 16.903 -5.436 14.252 1.00 0.00 C ATOM 728 C ARG A 48 15.424 -5.143 14.016 1.00 0.00 C ATOM 729 O ARG A 48 14.661 -4.950 14.962 1.00 0.00 O ATOM 730 CB ARG A 48 17.752 -4.268 13.748 1.00 0.00 C ATOM 731 CG ARG A 48 19.226 -4.389 14.101 1.00 0.00 C ATOM 732 CD ARG A 48 20.094 -3.569 13.159 1.00 0.00 C ATOM 733 NE ARG A 48 21.482 -3.507 13.609 1.00 0.00 N ATOM 734 CZ ARG A 48 22.329 -4.526 13.523 1.00 0.00 C ATOM 735 NH1 ARG A 48 21.932 -5.680 13.006 1.00 0.00 N ATOM 736 NH2 ARG A 48 23.577 -4.392 13.954 1.00 0.00 N ATOM 0 H ARG A 48 17.923 -6.544 12.794 1.00 0.00 H new ATOM 0 HA ARG A 48 17.065 -5.558 15.323 1.00 0.00 H new ATOM 0 HB2 ARG A 48 17.651 -4.197 12.665 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.362 -3.340 14.166 1.00 0.00 H new ATOM 0 HG2 ARG A 48 19.384 -4.055 15.126 1.00 0.00 H new ATOM 0 HG3 ARG A 48 19.527 -5.436 14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 48 20.056 -4.004 12.160 1.00 0.00 H new ATOM 0 HD3 ARG A 48 19.692 -2.559 13.083 1.00 0.00 H new ATOM 0 HE ARG A 48 21.819 -2.633 14.012 1.00 0.00 H new ATOM 0 HH11 ARG A 48 20.974 -5.787 12.673 1.00 0.00 H new ATOM 0 HH12 ARG A 48 22.585 -6.461 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 48 23.887 -3.505 14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 48 24.226 -5.176 13.887 1.00 0.00 H new ATOM 750 N GLN A 49 15.028 -5.111 12.747 1.00 0.00 N ATOM 751 CA GLN A 49 13.641 -4.840 12.387 1.00 0.00 C ATOM 752 C GLN A 49 13.256 -5.582 11.111 1.00 0.00 C ATOM 753 O GLN A 49 14.101 -5.927 10.285 1.00 0.00 O ATOM 754 CB GLN A 49 13.424 -3.338 12.203 1.00 0.00 C ATOM 755 CG GLN A 49 13.086 -2.609 13.494 1.00 0.00 C ATOM 756 CD GLN A 49 12.663 -1.173 13.260 1.00 0.00 C ATOM 757 OE1 GLN A 49 11.473 -0.854 13.273 1.00 0.00 O ATOM 758 NE2 GLN A 49 13.636 -0.296 13.044 1.00 0.00 N ATOM 0 H GLN A 49 15.647 -5.269 11.952 1.00 0.00 H new ATOM 0 HA GLN A 49 13.005 -5.194 13.198 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.324 -2.899 11.773 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.619 -3.181 11.485 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.285 -3.140 14.008 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.954 -2.625 14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.609 -0.604 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.411 0.685 12.880 1.00 0.00 H new ATOM 767 N PRO A 50 11.949 -5.834 10.944 1.00 0.00 N ATOM 768 CA PRO A 50 11.421 -6.537 9.771 1.00 0.00 C ATOM 769 C PRO A 50 11.522 -5.700 8.500 1.00 0.00 C ATOM 770 O PRO A 50 12.213 -4.682 8.470 1.00 0.00 O ATOM 771 CB PRO A 50 9.955 -6.782 10.135 1.00 0.00 C ATOM 772 CG PRO A 50 9.623 -5.711 11.114 1.00 0.00 C ATOM 773 CD PRO A 50 10.885 -5.451 11.889 1.00 0.00 C ATOM 0 HA PRO A 50 11.979 -7.448 9.556 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.314 -6.726 9.255 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.815 -7.772 10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 50 9.285 -4.808 10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.816 -6.025 11.776 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.967 -4.405 12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.926 -6.045 12.802 1.00 0.00 H new ATOM 781 N ALA A 51 10.829 -6.136 7.454 1.00 0.00 N ATOM 782 CA ALA A 51 10.839 -5.425 6.181 1.00 0.00 C ATOM 783 C ALA A 51 9.597 -4.552 6.030 1.00 0.00 C ATOM 784 O ALA A 51 8.484 -4.980 6.334 1.00 0.00 O ATOM 785 CB ALA A 51 10.936 -6.411 5.027 1.00 0.00 C ATOM 0 H ALA A 51 10.253 -6.978 7.462 1.00 0.00 H new ATOM 0 HA ALA A 51 11.713 -4.774 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.942 -5.866 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.855 -6.989 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.080 -7.085 5.051 1.00 0.00 H new ATOM 791 N LYS A 52 9.796 -3.326 5.559 1.00 0.00 N ATOM 792 CA LYS A 52 8.693 -2.391 5.367 1.00 0.00 C ATOM 793 C LYS A 52 8.537 -2.030 3.893 1.00 0.00 C ATOM 794 O LYS A 52 9.523 -1.798 3.193 1.00 0.00 O ATOM 795 CB LYS A 52 8.922 -1.123 6.192 1.00 0.00 C ATOM 796 CG LYS A 52 8.636 -1.301 7.673 1.00 0.00 C ATOM 797 CD LYS A 52 7.175 -1.031 7.995 1.00 0.00 C ATOM 798 CE LYS A 52 6.985 -0.666 9.459 1.00 0.00 C ATOM 799 NZ LYS A 52 5.546 -0.621 9.838 1.00 0.00 N ATOM 0 H LYS A 52 10.711 -2.956 5.303 1.00 0.00 H new ATOM 0 HA LYS A 52 7.776 -2.875 5.704 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.955 -0.800 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.289 -0.326 5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.895 -2.316 7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.268 -0.626 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.807 -0.221 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.580 -1.913 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.503 -1.393 10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.442 0.304 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.461 -0.419 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.067 0.126 9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.103 -1.539 9.629 1.00 0.00 H new ATOM 813 N LEU A 53 7.293 -1.984 3.430 1.00 0.00 N ATOM 814 CA LEU A 53 7.007 -1.649 2.039 1.00 0.00 C ATOM 815 C LEU A 53 5.984 -0.521 1.949 1.00 0.00 C ATOM 816 O LEU A 53 4.896 -0.611 2.515 1.00 0.00 O ATOM 817 CB LEU A 53 6.491 -2.881 1.292 1.00 0.00 C ATOM 818 CG LEU A 53 7.502 -4.009 1.081 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.795 -5.355 1.027 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.305 -3.775 -0.190 1.00 0.00 C ATOM 0 H LEU A 53 6.467 -2.174 3.997 1.00 0.00 H new ATOM 0 HA LEU A 53 7.934 -1.312 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.638 -3.282 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.123 -2.562 0.317 1.00 0.00 H new ATOM 0 HG LEU A 53 8.191 -4.017 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.530 -6.146 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.265 -5.526 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.083 -5.359 0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.019 -4.587 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.630 -3.740 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.841 -2.829 -0.113 1.00 0.00 H new ATOM 832 N ASN A 54 6.342 0.540 1.232 1.00 0.00 N ATOM 833 CA ASN A 54 5.454 1.685 1.067 1.00 0.00 C ATOM 834 C ASN A 54 4.398 1.405 0.003 1.00 0.00 C ATOM 835 O ASN A 54 4.684 1.434 -1.195 1.00 0.00 O ATOM 836 CB ASN A 54 6.259 2.930 0.688 1.00 0.00 C ATOM 837 CG ASN A 54 5.492 4.213 0.942 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.414 5.084 0.075 1.00 0.00 O ATOM 839 ND2 ASN A 54 4.923 4.336 2.135 1.00 0.00 N ATOM 0 H ASN A 54 7.240 0.630 0.757 1.00 0.00 H new ATOM 0 HA ASN A 54 4.949 1.862 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.188 2.946 1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.532 2.876 -0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.395 5.178 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.014 3.588 2.823 1.00 0.00 H new ATOM 846 N LEU A 55 3.175 1.135 0.447 1.00 0.00 N ATOM 847 CA LEU A 55 2.074 0.851 -0.466 1.00 0.00 C ATOM 848 C LEU A 55 1.727 2.080 -1.300 1.00 0.00 C ATOM 849 O LEU A 55 0.997 1.988 -2.288 1.00 0.00 O ATOM 850 CB LEU A 55 0.844 0.387 0.315 1.00 0.00 C ATOM 851 CG LEU A 55 0.805 -1.096 0.686 1.00 0.00 C ATOM 852 CD1 LEU A 55 2.115 -1.519 1.334 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.367 -1.383 1.613 1.00 0.00 C ATOM 0 H LEU A 55 2.921 1.107 1.435 1.00 0.00 H new ATOM 0 HA LEU A 55 2.390 0.055 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.779 0.972 1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.044 0.617 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 55 0.671 -1.676 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.069 -2.577 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.936 -1.350 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.280 -0.933 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.379 -2.443 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.263 -0.793 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.299 -1.119 1.114 1.00 0.00 H new ATOM 865 N LEU A 56 2.256 3.230 -0.897 1.00 0.00 N ATOM 866 CA LEU A 56 2.004 4.479 -1.609 1.00 0.00 C ATOM 867 C LEU A 56 2.717 4.491 -2.957 1.00 0.00 C ATOM 868 O LEU A 56 2.240 5.095 -3.919 1.00 0.00 O ATOM 869 CB LEU A 56 2.463 5.670 -0.766 1.00 0.00 C ATOM 870 CG LEU A 56 2.153 5.594 0.730 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.401 6.938 1.396 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.718 5.142 0.954 1.00 0.00 C ATOM 0 H LEU A 56 2.862 3.324 -0.082 1.00 0.00 H new ATOM 0 HA LEU A 56 0.931 4.558 -1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.540 5.782 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.001 6.572 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 56 2.819 4.860 1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.175 6.864 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.445 7.221 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.761 7.693 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.515 5.093 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.036 5.852 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.574 4.156 0.512 1.00 0.00 H new ATOM 884 N THR A 57 3.861 3.817 -3.022 1.00 0.00 N ATOM 885 CA THR A 57 4.640 3.749 -4.252 1.00 0.00 C ATOM 886 C THR A 57 4.564 2.360 -4.874 1.00 0.00 C ATOM 887 O THR A 57 4.623 2.212 -6.096 1.00 0.00 O ATOM 888 CB THR A 57 6.117 4.108 -4.003 1.00 0.00 C ATOM 889 OG1 THR A 57 6.935 3.568 -5.047 1.00 0.00 O ATOM 890 CG2 THR A 57 6.584 3.573 -2.658 1.00 0.00 C ATOM 0 H THR A 57 4.269 3.310 -2.236 1.00 0.00 H new ATOM 0 HA THR A 57 4.209 4.476 -4.940 1.00 0.00 H new ATOM 0 HB THR A 57 6.208 5.194 -3.996 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.872 3.802 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.630 3.839 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.978 4.008 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.479 2.488 -2.642 1.00 0.00 H new ATOM 898 N CYS A 58 4.432 1.344 -4.028 1.00 0.00 N ATOM 899 CA CYS A 58 4.348 -0.035 -4.496 1.00 0.00 C ATOM 900 C CYS A 58 3.128 -0.233 -5.389 1.00 0.00 C ATOM 901 O CYS A 58 2.364 0.702 -5.628 1.00 0.00 O ATOM 902 CB CYS A 58 4.287 -0.995 -3.308 1.00 0.00 C ATOM 903 SG CYS A 58 5.861 -1.202 -2.443 1.00 0.00 S ATOM 0 H CYS A 58 4.381 1.449 -3.015 1.00 0.00 H new ATOM 0 HA CYS A 58 5.242 -0.249 -5.081 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.541 -0.633 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.947 -1.969 -3.659 1.00 0.00 H new ATOM 0 HG CYS A 58 6.023 -0.228 -1.597 1.00 0.00 H new ATOM 909 N GLN A 59 2.953 -1.455 -5.881 1.00 0.00 N ATOM 910 CA GLN A 59 1.827 -1.774 -6.751 1.00 0.00 C ATOM 911 C GLN A 59 1.267 -3.156 -6.431 1.00 0.00 C ATOM 912 O GLN A 59 1.988 -4.036 -5.959 1.00 0.00 O ATOM 913 CB GLN A 59 2.254 -1.711 -8.218 1.00 0.00 C ATOM 914 CG GLN A 59 1.102 -1.459 -9.177 1.00 0.00 C ATOM 915 CD GLN A 59 1.559 -0.867 -10.496 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.751 -0.851 -10.802 1.00 0.00 O ATOM 917 NE2 GLN A 59 0.610 -0.376 -11.285 1.00 0.00 N ATOM 0 H GLN A 59 3.576 -2.240 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 59 1.045 -1.035 -6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.995 -0.921 -8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.741 -2.649 -8.487 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.580 -2.397 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.386 -0.784 -8.709 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.366 -0.410 -10.991 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.857 0.035 -12.185 1.00 0.00 H new ATOM 926 N VAL A 60 -0.024 -3.341 -6.690 1.00 0.00 N ATOM 927 CA VAL A 60 -0.681 -4.616 -6.430 1.00 0.00 C ATOM 928 C VAL A 60 -1.260 -5.207 -7.711 1.00 0.00 C ATOM 929 O VAL A 60 -2.388 -4.897 -8.096 1.00 0.00 O ATOM 930 CB VAL A 60 -1.808 -4.465 -5.392 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.619 -5.749 -5.293 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.235 -4.081 -4.036 1.00 0.00 C ATOM 0 H VAL A 60 -0.635 -2.624 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 60 0.079 -5.289 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.475 -3.667 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.411 -5.623 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.061 -5.976 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.967 -6.569 -4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.045 -3.978 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.546 -4.855 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.703 -3.134 -4.121 1.00 0.00 H new ATOM 942 N LYS A 61 -0.481 -6.060 -8.368 1.00 0.00 N ATOM 943 CA LYS A 61 -0.916 -6.697 -9.605 1.00 0.00 C ATOM 944 C LYS A 61 -1.354 -8.136 -9.351 1.00 0.00 C ATOM 945 O LYS A 61 -0.539 -9.057 -9.293 1.00 0.00 O ATOM 946 CB LYS A 61 0.211 -6.670 -10.640 1.00 0.00 C ATOM 947 CG LYS A 61 0.210 -5.425 -11.509 1.00 0.00 C ATOM 948 CD LYS A 61 1.053 -5.616 -12.759 1.00 0.00 C ATOM 949 CE LYS A 61 1.242 -4.307 -13.510 1.00 0.00 C ATOM 950 NZ LYS A 61 2.355 -4.389 -14.496 1.00 0.00 N ATOM 0 H LYS A 61 0.456 -6.326 -8.064 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.769 -6.139 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.168 -6.742 -10.124 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.127 -7.549 -11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.813 -5.180 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.593 -4.580 -10.936 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.026 -6.023 -12.484 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.576 -6.346 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.318 -4.048 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.445 -3.506 -12.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.452 -3.477 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.242 -4.611 -14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.150 -5.136 -15.190 1.00 0.00 H new ATOM 964 N PRO A 62 -2.671 -8.336 -9.199 1.00 0.00 N ATOM 965 CA PRO A 62 -3.247 -9.661 -8.952 1.00 0.00 C ATOM 966 C PRO A 62 -3.150 -10.572 -10.171 1.00 0.00 C ATOM 967 O PRO A 62 -3.478 -10.169 -11.286 1.00 0.00 O ATOM 968 CB PRO A 62 -4.712 -9.356 -8.627 1.00 0.00 C ATOM 969 CG PRO A 62 -4.988 -8.059 -9.305 1.00 0.00 C ATOM 970 CD PRO A 62 -3.700 -7.284 -9.257 1.00 0.00 C ATOM 0 HA PRO A 62 -2.722 -10.192 -8.158 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.371 -10.143 -8.994 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.872 -9.282 -7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.310 -8.217 -10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.788 -7.518 -8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.579 -6.651 -10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.656 -6.631 -8.386 1.00 0.00 H new ATOM 978 N ASN A 63 -2.699 -11.802 -9.950 1.00 0.00 N ATOM 979 CA ASN A 63 -2.559 -12.771 -11.031 1.00 0.00 C ATOM 980 C ASN A 63 -3.922 -13.298 -11.469 1.00 0.00 C ATOM 981 O ASN A 63 -4.830 -13.454 -10.653 1.00 0.00 O ATOM 982 CB ASN A 63 -1.667 -13.933 -10.591 1.00 0.00 C ATOM 983 CG ASN A 63 -0.202 -13.685 -10.894 1.00 0.00 C ATOM 984 OD1 ASN A 63 0.345 -14.228 -11.854 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.441 -12.862 -10.074 1.00 0.00 N ATOM 0 H ASN A 63 -2.424 -12.152 -9.032 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.095 -12.267 -11.879 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.791 -14.097 -9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.990 -14.845 -11.093 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.428 -12.658 -10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.053 -12.434 -9.291 1.00 0.00 H new ATOM 992 N ALA A 64 -4.057 -13.572 -12.762 1.00 0.00 N ATOM 993 CA ALA A 64 -5.308 -14.084 -13.308 1.00 0.00 C ATOM 994 C ALA A 64 -5.351 -15.607 -13.244 1.00 0.00 C ATOM 995 O ALA A 64 -6.346 -16.191 -12.816 1.00 0.00 O ATOM 996 CB ALA A 64 -5.492 -13.608 -14.741 1.00 0.00 C ATOM 0 H ALA A 64 -3.315 -13.448 -13.451 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.127 -13.698 -12.701 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.430 -13.998 -15.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.514 -12.518 -14.762 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.664 -13.966 -15.353 1.00 0.00 H new ATOM 1002 N GLU A 65 -4.267 -16.244 -13.674 1.00 0.00 N ATOM 1003 CA GLU A 65 -4.183 -17.700 -13.667 1.00 0.00 C ATOM 1004 C GLU A 65 -4.828 -18.275 -12.409 1.00 0.00 C ATOM 1005 O GLU A 65 -5.581 -19.247 -12.474 1.00 0.00 O ATOM 1006 CB GLU A 65 -2.723 -18.150 -13.756 1.00 0.00 C ATOM 1007 CG GLU A 65 -1.982 -17.576 -14.952 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.667 -17.889 -16.268 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -3.662 -17.207 -16.594 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -2.210 -18.813 -16.971 1.00 0.00 O ATOM 0 H GLU A 65 -3.435 -15.775 -14.032 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.724 -18.074 -14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.205 -17.857 -12.843 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.689 -19.238 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.898 -16.495 -14.838 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.967 -17.974 -14.971 1.00 0.00 H new ATOM 1017 N ASP A 66 -4.527 -17.669 -11.267 1.00 0.00 N ATOM 1018 CA ASP A 66 -5.077 -18.120 -9.994 1.00 0.00 C ATOM 1019 C ASP A 66 -5.898 -17.015 -9.335 1.00 0.00 C ATOM 1020 O ASP A 66 -5.767 -15.840 -9.677 1.00 0.00 O ATOM 1021 CB ASP A 66 -3.953 -18.564 -9.057 1.00 0.00 C ATOM 1022 CG ASP A 66 -3.471 -19.970 -9.357 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -3.150 -20.249 -10.532 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -3.415 -20.791 -8.418 1.00 0.00 O ATOM 0 H ASP A 66 -3.905 -16.864 -11.196 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.733 -18.968 -10.190 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.117 -17.870 -9.143 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.303 -18.515 -8.026 1.00 0.00 H new ATOM 1029 N LYS A 67 -6.747 -17.401 -8.388 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.590 -16.445 -7.680 1.00 0.00 C ATOM 1031 C LYS A 67 -6.892 -15.928 -6.426 1.00 0.00 C ATOM 1032 O LYS A 67 -7.131 -14.802 -5.989 1.00 0.00 O ATOM 1033 CB LYS A 67 -8.925 -17.092 -7.304 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.082 -16.109 -7.245 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.717 -15.913 -8.612 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.762 -14.808 -8.588 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.138 -13.456 -8.555 1.00 0.00 N ATOM 0 H LYS A 67 -6.869 -18.370 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.776 -15.601 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.158 -17.872 -8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.823 -17.579 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.833 -16.471 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.727 -15.150 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.945 -15.669 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.179 -16.845 -8.937 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.400 -14.892 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.403 -14.933 -7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.880 -12.730 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.604 -13.342 -7.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.493 -13.351 -9.364 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.027 -16.757 -5.851 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.292 -16.383 -4.649 1.00 0.00 C ATOM 1053 C LYS A 68 -3.829 -16.096 -4.973 1.00 0.00 C ATOM 1054 O LYS A 68 -2.925 -16.678 -4.375 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.384 -17.497 -3.604 1.00 0.00 C ATOM 1056 CG LYS A 68 -6.785 -17.700 -3.053 1.00 0.00 C ATOM 1057 CD LYS A 68 -6.958 -19.091 -2.467 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.145 -20.135 -3.557 1.00 0.00 C ATOM 1059 NZ LYS A 68 -7.546 -21.456 -2.997 1.00 0.00 N ATOM 0 H LYS A 68 -5.818 -17.693 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.742 -15.476 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.039 -18.430 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.708 -17.268 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.987 -16.953 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.515 -17.546 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.086 -19.344 -1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.820 -19.101 -1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.904 -19.793 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.217 -20.245 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.663 -22.140 -3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.810 -21.794 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.445 -21.357 -2.483 1.00 0.00 H new ATOM 1073 N SER A 69 -3.605 -15.194 -5.924 1.00 0.00 N ATOM 1074 CA SER A 69 -2.252 -14.831 -6.329 1.00 0.00 C ATOM 1075 C SER A 69 -2.158 -13.338 -6.631 1.00 0.00 C ATOM 1076 O SER A 69 -3.094 -12.740 -7.162 1.00 0.00 O ATOM 1077 CB SER A 69 -1.830 -15.639 -7.557 1.00 0.00 C ATOM 1078 OG SER A 69 -2.891 -15.738 -8.491 1.00 0.00 O ATOM 0 H SER A 69 -4.343 -14.702 -6.428 1.00 0.00 H new ATOM 0 HA SER A 69 -1.578 -15.060 -5.504 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.969 -15.166 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.517 -16.637 -7.250 1.00 0.00 H new ATOM 0 HG SER A 69 -3.392 -14.896 -8.508 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.020 -12.743 -6.290 1.00 0.00 N ATOM 1085 CA PHE A 70 -0.802 -11.320 -6.523 1.00 0.00 C ATOM 1086 C PHE A 70 0.677 -10.967 -6.389 1.00 0.00 C ATOM 1087 O PHE A 70 1.347 -11.402 -5.453 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.627 -10.487 -5.540 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.017 -10.397 -4.171 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.007 -9.486 -3.907 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.453 -11.223 -3.147 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.557 -9.401 -2.648 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -0.892 -11.143 -1.886 1.00 0.00 C ATOM 1094 CZ PHE A 70 0.113 -10.230 -1.636 1.00 0.00 C ATOM 0 H PHE A 70 -0.235 -13.224 -5.851 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.122 -11.092 -7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.749 -9.481 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.624 -10.920 -5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.344 -8.835 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.240 -11.938 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.344 -8.687 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.240 -11.794 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.551 -10.164 -0.651 1.00 0.00 H new ATOM 1104 N ASP A 71 1.178 -10.177 -7.332 1.00 0.00 N ATOM 1105 CA ASP A 71 2.576 -9.764 -7.320 1.00 0.00 C ATOM 1106 C ASP A 71 2.711 -8.310 -6.878 1.00 0.00 C ATOM 1107 O ASP A 71 2.057 -7.421 -7.425 1.00 0.00 O ATOM 1108 CB ASP A 71 3.196 -9.948 -8.706 1.00 0.00 C ATOM 1109 CG ASP A 71 3.687 -11.364 -8.938 1.00 0.00 C ATOM 1110 OD1 ASP A 71 3.888 -12.092 -7.943 1.00 0.00 O ATOM 1111 OD2 ASP A 71 3.870 -11.744 -10.113 1.00 0.00 O ATOM 0 H ASP A 71 0.637 -9.810 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 71 3.108 -10.392 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.459 -9.693 -9.467 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.028 -9.254 -8.823 1.00 0.00 H new ATOM 1116 N LEU A 72 3.561 -8.075 -5.885 1.00 0.00 N ATOM 1117 CA LEU A 72 3.780 -6.729 -5.369 1.00 0.00 C ATOM 1118 C LEU A 72 5.020 -6.100 -5.996 1.00 0.00 C ATOM 1119 O LEU A 72 6.149 -6.437 -5.637 1.00 0.00 O ATOM 1120 CB LEU A 72 3.927 -6.763 -3.846 1.00 0.00 C ATOM 1121 CG LEU A 72 3.829 -5.415 -3.132 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.439 -4.822 -3.299 1.00 0.00 C ATOM 1123 CD2 LEU A 72 4.173 -5.566 -1.657 1.00 0.00 C ATOM 0 H LEU A 72 4.110 -8.799 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 72 2.914 -6.121 -5.632 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.159 -7.422 -3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.891 -7.210 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 72 4.549 -4.733 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.388 -3.863 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.231 -4.676 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.700 -5.501 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.098 -4.596 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.478 -6.264 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.190 -5.946 -1.558 1.00 0.00 H new ATOM 1135 N ILE A 73 4.802 -5.184 -6.934 1.00 0.00 N ATOM 1136 CA ILE A 73 5.902 -4.506 -7.609 1.00 0.00 C ATOM 1137 C ILE A 73 6.442 -3.357 -6.763 1.00 0.00 C ATOM 1138 O ILE A 73 5.781 -2.331 -6.597 1.00 0.00 O ATOM 1139 CB ILE A 73 5.468 -3.958 -8.981 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.232 -5.108 -9.962 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.517 -2.999 -9.524 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.203 -4.794 -11.025 1.00 0.00 C ATOM 0 H ILE A 73 3.874 -4.895 -7.244 1.00 0.00 H new ATOM 0 HA ILE A 73 6.688 -5.247 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 73 4.533 -3.412 -8.858 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.176 -5.362 -10.445 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.911 -5.989 -9.406 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.196 -2.620 -10.494 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.641 -2.166 -8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.466 -3.523 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.087 -5.654 -11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.248 -4.569 -10.551 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.532 -3.932 -11.606 1.00 0.00 H new ATOM 1154 N SER A 74 7.647 -3.536 -6.231 1.00 0.00 N ATOM 1155 CA SER A 74 8.275 -2.515 -5.401 1.00 0.00 C ATOM 1156 C SER A 74 9.234 -1.660 -6.223 1.00 0.00 C ATOM 1157 O SER A 74 9.461 -1.923 -7.405 1.00 0.00 O ATOM 1158 CB SER A 74 9.024 -3.165 -4.236 1.00 0.00 C ATOM 1159 OG SER A 74 9.519 -2.187 -3.338 1.00 0.00 O ATOM 0 H SER A 74 8.208 -4.378 -6.360 1.00 0.00 H new ATOM 0 HA SER A 74 7.490 -1.871 -5.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.358 -3.846 -3.706 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.851 -3.763 -4.620 1.00 0.00 H new ATOM 0 HG SER A 74 9.992 -2.628 -2.602 1.00 0.00 H new ATOM 1165 N HIS A 75 9.796 -0.636 -5.589 1.00 0.00 N ATOM 1166 CA HIS A 75 10.732 0.259 -6.261 1.00 0.00 C ATOM 1167 C HIS A 75 11.887 -0.526 -6.875 1.00 0.00 C ATOM 1168 O HIS A 75 12.654 -1.176 -6.167 1.00 0.00 O ATOM 1169 CB HIS A 75 11.271 1.298 -5.278 1.00 0.00 C ATOM 1170 CG HIS A 75 12.395 0.792 -4.428 1.00 0.00 C ATOM 1171 ND1 HIS A 75 13.711 0.792 -4.841 1.00 0.00 N ATOM 1172 CD2 HIS A 75 12.395 0.268 -3.180 1.00 0.00 C ATOM 1173 CE1 HIS A 75 14.471 0.289 -3.885 1.00 0.00 C ATOM 1174 NE2 HIS A 75 13.696 -0.036 -2.865 1.00 0.00 N ATOM 0 H HIS A 75 9.620 -0.405 -4.611 1.00 0.00 H new ATOM 0 HA HIS A 75 10.198 0.771 -7.061 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.612 2.171 -5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.459 1.630 -4.632 1.00 0.00 H new ATOM 0 HD1 HIS A 75 14.045 1.128 -5.744 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.532 0.117 -2.549 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.543 0.165 -3.929 1.00 0.00 H new ATOM 1183 N ASN A 76 12.004 -0.460 -8.198 1.00 0.00 N ATOM 1184 CA ASN A 76 13.065 -1.165 -8.907 1.00 0.00 C ATOM 1185 C ASN A 76 13.211 -2.593 -8.389 1.00 0.00 C ATOM 1186 O ASN A 76 14.293 -3.177 -8.444 1.00 0.00 O ATOM 1187 CB ASN A 76 14.391 -0.418 -8.757 1.00 0.00 C ATOM 1188 CG ASN A 76 14.220 1.086 -8.839 1.00 0.00 C ATOM 1189 OD1 ASN A 76 13.822 1.730 -7.868 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.521 1.654 -10.001 1.00 0.00 N ATOM 0 H ASN A 76 11.377 0.074 -8.800 1.00 0.00 H new ATOM 0 HA ASN A 76 12.797 -1.206 -9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.845 -0.678 -7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.079 -0.746 -9.536 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.426 2.663 -10.115 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.847 1.081 -10.779 1.00 0.00 H new ATOM 1197 N ARG A 77 12.113 -3.149 -7.886 1.00 0.00 N ATOM 1198 CA ARG A 77 12.119 -4.507 -7.356 1.00 0.00 C ATOM 1199 C ARG A 77 10.725 -5.124 -7.426 1.00 0.00 C ATOM 1200 O ARG A 77 9.718 -4.430 -7.274 1.00 0.00 O ATOM 1201 CB ARG A 77 12.618 -4.512 -5.910 1.00 0.00 C ATOM 1202 CG ARG A 77 14.128 -4.632 -5.788 1.00 0.00 C ATOM 1203 CD ARG A 77 14.579 -4.539 -4.338 1.00 0.00 C ATOM 1204 NE ARG A 77 15.898 -5.132 -4.136 1.00 0.00 N ATOM 1205 CZ ARG A 77 16.096 -6.427 -3.919 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.065 -7.261 -3.877 1.00 0.00 N ATOM 1207 NH2 ARG A 77 17.326 -6.892 -3.744 1.00 0.00 N ATOM 0 H ARG A 77 11.209 -2.680 -7.835 1.00 0.00 H new ATOM 0 HA ARG A 77 12.794 -5.105 -7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.294 -3.594 -5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.152 -5.340 -5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.454 -5.582 -6.211 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.605 -3.843 -6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.601 -3.493 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.853 -5.043 -3.700 1.00 0.00 H new ATOM 0 HE ARG A 77 16.712 -4.518 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.118 -6.908 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.220 -8.255 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.122 -6.254 -3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.476 -7.887 -3.577 1.00 0.00 H new ATOM 1221 N THR A 78 10.672 -6.432 -7.659 1.00 0.00 N ATOM 1222 CA THR A 78 9.403 -7.141 -7.751 1.00 0.00 C ATOM 1223 C THR A 78 9.302 -8.227 -6.686 1.00 0.00 C ATOM 1224 O THR A 78 10.290 -8.885 -6.360 1.00 0.00 O ATOM 1225 CB THR A 78 9.216 -7.781 -9.140 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.646 -6.872 -10.159 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.761 -8.159 -9.370 1.00 0.00 C ATOM 0 H THR A 78 11.494 -7.021 -7.787 1.00 0.00 H new ATOM 0 HA THR A 78 8.617 -6.404 -7.590 1.00 0.00 H new ATOM 0 HB THR A 78 9.821 -8.687 -9.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.526 -7.286 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.654 -8.609 -10.357 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.446 -8.873 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.139 -7.266 -9.309 1.00 0.00 H new ATOM 1235 N TYR A 79 8.101 -8.412 -6.148 1.00 0.00 N ATOM 1236 CA TYR A 79 7.872 -9.418 -5.118 1.00 0.00 C ATOM 1237 C TYR A 79 6.743 -10.362 -5.521 1.00 0.00 C ATOM 1238 O TYR A 79 5.915 -10.032 -6.371 1.00 0.00 O ATOM 1239 CB TYR A 79 7.539 -8.746 -3.785 1.00 0.00 C ATOM 1240 CG TYR A 79 8.713 -8.029 -3.158 1.00 0.00 C ATOM 1241 CD1 TYR A 79 9.259 -6.898 -3.754 1.00 0.00 C ATOM 1242 CD2 TYR A 79 9.277 -8.481 -1.972 1.00 0.00 C ATOM 1243 CE1 TYR A 79 10.332 -6.239 -3.186 1.00 0.00 C ATOM 1244 CE2 TYR A 79 10.350 -7.828 -1.396 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.874 -6.708 -2.007 1.00 0.00 C ATOM 1246 OH TYR A 79 11.943 -6.055 -1.437 1.00 0.00 O ATOM 0 H TYR A 79 7.272 -7.878 -6.408 1.00 0.00 H new ATOM 0 HA TYR A 79 8.786 -10.001 -5.005 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.729 -8.033 -3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.171 -9.500 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.837 -6.528 -4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.870 -9.358 -1.491 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.744 -5.362 -3.662 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.776 -8.192 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 79 12.203 -6.513 -0.610 1.00 0.00 H new ATOM 1256 N HIS A 80 6.715 -11.538 -4.902 1.00 0.00 N ATOM 1257 CA HIS A 80 5.687 -12.531 -5.194 1.00 0.00 C ATOM 1258 C HIS A 80 4.886 -12.869 -3.941 1.00 0.00 C ATOM 1259 O HIS A 80 5.431 -12.915 -2.837 1.00 0.00 O ATOM 1260 CB HIS A 80 6.322 -13.800 -5.765 1.00 0.00 C ATOM 1261 CG HIS A 80 7.313 -13.535 -6.856 1.00 0.00 C ATOM 1262 ND1 HIS A 80 7.063 -12.680 -7.909 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.562 -14.017 -7.054 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.115 -12.649 -8.707 1.00 0.00 C ATOM 1265 NE2 HIS A 80 9.039 -13.451 -8.211 1.00 0.00 N ATOM 0 H HIS A 80 7.392 -11.827 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 80 5.008 -12.108 -5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.817 -14.343 -4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.535 -14.449 -6.150 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.201 -12.154 -8.049 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.086 -14.717 -6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.204 -12.066 -9.612 1.00 0.00 H new ATOM 1274 N PHE A 81 3.590 -13.103 -4.117 1.00 0.00 N ATOM 1275 CA PHE A 81 2.714 -13.435 -3.000 1.00 0.00 C ATOM 1276 C PHE A 81 1.578 -14.349 -3.452 1.00 0.00 C ATOM 1277 O PHE A 81 1.186 -14.337 -4.618 1.00 0.00 O ATOM 1278 CB PHE A 81 2.140 -12.159 -2.379 1.00 0.00 C ATOM 1279 CG PHE A 81 3.148 -11.369 -1.594 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.725 -11.898 -0.450 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.520 -10.098 -2.001 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.652 -11.172 0.273 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.447 -9.368 -1.282 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.015 -9.906 -0.143 1.00 0.00 C ATOM 0 H PHE A 81 3.123 -13.069 -5.023 1.00 0.00 H new ATOM 0 HA PHE A 81 3.305 -13.962 -2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.734 -11.530 -3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.309 -12.424 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.447 -12.888 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.080 -9.673 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.093 -11.595 1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.727 -8.378 -1.610 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.741 -9.338 0.420 1.00 0.00 H new ATOM 1294 N GLN A 82 1.057 -15.140 -2.520 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.032 -16.061 -2.822 1.00 0.00 C ATOM 1296 C GLN A 82 -0.931 -16.259 -1.607 1.00 0.00 C ATOM 1297 O GLN A 82 -0.451 -16.504 -0.500 1.00 0.00 O ATOM 1298 CB GLN A 82 0.525 -17.409 -3.284 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.518 -18.312 -3.921 1.00 0.00 C ATOM 1300 CD GLN A 82 0.054 -19.648 -4.354 1.00 0.00 C ATOM 1301 OE1 GLN A 82 0.925 -19.623 -5.355 1.00 0.00 O flip ATOM 1302 NE2 GLN A 82 -0.285 -20.692 -3.795 1.00 0.00 N flip ATOM 0 H GLN A 82 1.371 -15.162 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.628 -15.627 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.328 -17.235 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.965 -17.923 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.329 -18.481 -3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.950 -17.808 -4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.958 -20.665 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.107 -21.583 -4.098 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.238 -16.151 -1.820 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.205 -16.319 -0.742 1.00 0.00 C ATOM 1313 C ALA A 83 -3.534 -17.792 -0.525 1.00 0.00 C ATOM 1314 O ALA A 83 -3.422 -18.604 -1.443 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.472 -15.532 -1.041 1.00 0.00 C ATOM 0 H ALA A 83 -2.652 -15.948 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.760 -15.934 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.185 -15.667 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.229 -14.474 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.912 -15.890 -1.972 1.00 0.00 H new ATOM 1321 N GLU A 84 -3.939 -18.130 0.696 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.282 -19.507 1.032 1.00 0.00 C ATOM 1323 C GLU A 84 -5.754 -19.787 0.742 1.00 0.00 C ATOM 1324 O GLU A 84 -6.093 -20.786 0.107 1.00 0.00 O ATOM 1325 CB GLU A 84 -3.979 -19.786 2.506 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.531 -20.163 2.769 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.304 -20.652 4.186 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -3.027 -20.194 5.095 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -1.402 -21.493 4.386 1.00 0.00 O ATOM 0 H GLU A 84 -4.037 -17.470 1.467 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.675 -20.167 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.228 -18.902 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.625 -20.592 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.229 -20.941 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.894 -19.299 2.581 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.623 -18.899 1.211 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.058 -19.049 1.002 1.00 0.00 C ATOM 1338 C ASP A 85 -8.608 -17.900 0.163 1.00 0.00 C ATOM 1339 O ASP A 85 -8.077 -16.791 0.190 1.00 0.00 O ATOM 1340 CB ASP A 85 -8.787 -19.110 2.345 1.00 0.00 C ATOM 1341 CG ASP A 85 -8.408 -20.335 3.154 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -7.984 -21.340 2.546 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -8.534 -20.289 4.396 1.00 0.00 O ATOM 0 H ASP A 85 -6.359 -18.067 1.739 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.226 -19.982 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.558 -18.213 2.920 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.863 -19.111 2.171 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.674 -18.176 -0.582 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.294 -17.165 -1.431 1.00 0.00 C ATOM 1350 C GLU A 86 -10.666 -15.927 -0.619 1.00 0.00 C ATOM 1351 O GLU A 86 -10.444 -14.798 -1.056 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.541 -17.734 -2.112 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.832 -17.110 -3.466 1.00 0.00 C ATOM 1354 CD GLU A 86 -13.146 -17.584 -4.056 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -13.527 -18.746 -3.802 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.794 -16.792 -4.772 1.00 0.00 O ATOM 0 H GLU A 86 -10.126 -19.090 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.572 -16.875 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.418 -18.810 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.401 -17.584 -1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.854 -16.025 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.021 -17.350 -4.154 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.232 -16.149 0.562 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.635 -15.051 1.434 1.00 0.00 C ATOM 1365 C GLN A 87 -10.443 -14.164 1.778 1.00 0.00 C ATOM 1366 O GLN A 87 -10.526 -12.938 1.697 1.00 0.00 O ATOM 1367 CB GLN A 87 -12.267 -15.596 2.716 1.00 0.00 C ATOM 1368 CG GLN A 87 -11.270 -15.812 3.842 1.00 0.00 C ATOM 1369 CD GLN A 87 -11.938 -16.196 5.148 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -13.132 -15.964 5.339 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -11.170 -16.786 6.056 1.00 0.00 N ATOM 0 H GLN A 87 -11.422 -17.078 0.938 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.371 -14.449 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.039 -14.904 3.053 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.762 -16.542 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.567 -16.594 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.691 -14.900 3.989 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.185 -16.959 5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.565 -17.066 6.954 1.00 0.00 H new ATOM 1380 N ASP A 88 -9.337 -14.791 2.163 1.00 0.00 N ATOM 1381 CA ASP A 88 -8.128 -14.058 2.519 1.00 0.00 C ATOM 1382 C ASP A 88 -7.643 -13.207 1.349 1.00 0.00 C ATOM 1383 O ASP A 88 -7.287 -12.041 1.522 1.00 0.00 O ATOM 1384 CB ASP A 88 -7.027 -15.027 2.952 1.00 0.00 C ATOM 1385 CG ASP A 88 -6.007 -14.376 3.865 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -6.375 -13.417 4.575 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.841 -14.824 3.869 1.00 0.00 O ATOM 0 H ASP A 88 -9.253 -15.805 2.236 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.367 -13.396 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.477 -15.878 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.522 -15.417 2.068 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.631 -13.799 0.160 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.186 -13.097 -1.038 1.00 0.00 C ATOM 1394 C TYR A 89 -8.029 -11.849 -1.282 1.00 0.00 C ATOM 1395 O TYR A 89 -7.536 -10.724 -1.191 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.261 -14.022 -2.254 1.00 0.00 C ATOM 1397 CG TYR A 89 -7.131 -13.298 -3.575 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -8.250 -12.793 -4.226 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.889 -13.117 -4.171 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -8.136 -12.132 -5.434 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.765 -12.455 -5.378 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.892 -11.965 -6.005 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.774 -11.305 -7.207 1.00 0.00 O ATOM 0 H TYR A 89 -7.924 -14.763 0.000 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.151 -12.791 -0.886 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.472 -14.770 -2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.210 -14.557 -2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.226 -12.919 -3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.005 -13.500 -3.683 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.016 -11.748 -5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.792 -12.322 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.490 -10.640 -7.287 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.305 -12.055 -1.593 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.219 -10.948 -1.849 1.00 0.00 C ATOM 1415 C VAL A 90 -9.984 -9.805 -0.869 1.00 0.00 C ATOM 1416 O VAL A 90 -9.957 -8.637 -1.257 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.688 -11.400 -1.753 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.624 -10.222 -1.978 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.969 -12.513 -2.751 1.00 0.00 C ATOM 0 H VAL A 90 -9.729 -12.979 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.020 -10.600 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.866 -11.789 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.658 -10.560 -1.907 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.438 -9.460 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.447 -9.801 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.012 -12.820 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.775 -12.153 -3.761 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.322 -13.364 -2.538 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.815 -10.149 0.404 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.581 -9.151 1.440 1.00 0.00 C ATOM 1431 C ALA A 91 -8.243 -8.449 1.233 1.00 0.00 C ATOM 1432 O ALA A 91 -8.194 -7.237 1.022 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.633 -9.797 2.816 1.00 0.00 C ATOM 0 H ALA A 91 -9.836 -11.111 0.742 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.369 -8.401 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.457 -9.040 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.614 -10.246 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.866 -10.568 2.885 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.162 -9.217 1.296 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.823 -8.667 1.116 1.00 0.00 C ATOM 1441 C TRP A 92 -5.807 -7.624 0.004 1.00 0.00 C ATOM 1442 O TRP A 92 -5.488 -6.458 0.238 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.828 -9.785 0.798 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.265 -10.445 2.021 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.377 -11.761 2.366 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.505 -9.818 3.059 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.732 -11.991 3.557 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.188 -10.815 4.002 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.059 -8.513 3.283 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.447 -10.545 5.150 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.325 -8.246 4.423 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -2.024 -9.258 5.344 1.00 0.00 C ATOM 0 H TRP A 92 -7.186 -10.222 1.470 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.529 -8.182 2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.322 -10.537 0.183 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.010 -9.376 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.896 -12.511 1.788 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.668 -12.891 4.033 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.284 -7.727 2.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.215 -11.323 5.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.977 -7.240 4.607 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.447 -9.018 6.225 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.153 -8.051 -1.206 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.179 -7.153 -2.353 1.00 0.00 C ATOM 1465 C ILE A 93 -6.962 -5.882 -2.039 1.00 0.00 C ATOM 1466 O ILE A 93 -6.524 -4.777 -2.355 1.00 0.00 O ATOM 1467 CB ILE A 93 -6.801 -7.834 -3.587 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -5.935 -9.013 -4.036 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -6.967 -6.830 -4.719 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.592 -8.598 -4.593 1.00 0.00 C ATOM 0 H ILE A 93 -6.419 -9.013 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.144 -6.894 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.786 -8.213 -3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.777 -9.681 -3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.474 -9.581 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.408 -7.326 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.620 -6.020 -4.394 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.993 -6.424 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.032 -9.484 -4.891 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.741 -7.954 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.034 -8.056 -3.830 1.00 0.00 H new ATOM 1482 N SER A 94 -8.123 -6.049 -1.413 1.00 0.00 N ATOM 1483 CA SER A 94 -8.969 -4.916 -1.058 1.00 0.00 C ATOM 1484 C SER A 94 -8.216 -3.936 -0.163 1.00 0.00 C ATOM 1485 O SER A 94 -8.300 -2.721 -0.345 1.00 0.00 O ATOM 1486 CB SER A 94 -10.236 -5.400 -0.350 1.00 0.00 C ATOM 1487 OG SER A 94 -11.044 -6.172 -1.221 1.00 0.00 O ATOM 0 H SER A 94 -8.499 -6.958 -1.142 1.00 0.00 H new ATOM 0 HA SER A 94 -9.249 -4.401 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.964 -5.995 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.803 -4.543 0.013 1.00 0.00 H new ATOM 0 HG SER A 94 -10.749 -7.106 -1.199 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.480 -4.473 0.805 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.711 -3.647 1.728 1.00 0.00 C ATOM 1495 C VAL A 95 -5.511 -3.016 1.031 1.00 0.00 C ATOM 1496 O VAL A 95 -5.475 -1.805 0.808 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.218 -4.466 2.935 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.145 -3.593 4.179 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.121 -5.668 3.169 1.00 0.00 C ATOM 0 H VAL A 95 -7.400 -5.476 0.970 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.378 -2.860 2.080 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.215 -4.832 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.795 -4.189 5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.453 -2.769 4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.135 -3.195 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.757 -6.235 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.138 -5.327 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.116 -6.305 2.284 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.530 -3.843 0.690 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.326 -3.367 0.017 1.00 0.00 C ATOM 1511 C LEU A 96 -3.647 -2.198 -0.910 1.00 0.00 C ATOM 1512 O LEU A 96 -2.892 -1.229 -0.990 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.680 -4.501 -0.779 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.294 -5.747 0.019 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.258 -6.970 -0.884 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -0.950 -5.547 0.704 1.00 0.00 C ATOM 0 H LEU A 96 -4.544 -4.847 0.868 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.626 -3.022 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.367 -4.800 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.784 -4.113 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.050 -5.911 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.981 -7.847 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.242 -7.125 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.525 -6.816 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.692 -6.444 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.183 -5.357 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.011 -4.697 1.383 1.00 0.00 H new ATOM 1528 N THR A 97 -4.774 -2.296 -1.608 1.00 0.00 N ATOM 1529 CA THR A 97 -5.196 -1.247 -2.528 1.00 0.00 C ATOM 1530 C THR A 97 -5.885 -0.108 -1.786 1.00 0.00 C ATOM 1531 O THR A 97 -5.549 1.060 -1.973 1.00 0.00 O ATOM 1532 CB THR A 97 -6.152 -1.796 -3.605 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.700 -3.078 -4.054 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.242 -0.841 -4.786 1.00 0.00 C ATOM 0 H THR A 97 -5.411 -3.091 -1.554 1.00 0.00 H new ATOM 0 HA THR A 97 -4.295 -0.869 -3.011 1.00 0.00 H new ATOM 0 HB THR A 97 -7.143 -1.896 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.206 -3.782 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.922 -1.250 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.615 0.125 -4.445 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.253 -0.713 -5.227 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.851 -0.457 -0.941 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.587 0.537 -0.170 1.00 0.00 C ATOM 1544 C ASN A 98 -6.633 1.437 0.610 1.00 0.00 C ATOM 1545 O ASN A 98 -6.500 2.624 0.313 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.559 -0.150 0.792 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.788 -0.687 0.086 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.208 -0.157 -0.943 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.372 -1.745 0.637 1.00 0.00 N ATOM 0 H ASN A 98 -7.141 -1.420 -0.774 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.152 1.155 -0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.047 -0.969 1.298 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.866 0.558 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.203 -2.151 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.989 -2.152 1.491 1.00 0.00 H new ATOM 1556 N SER A 99 -5.970 0.862 1.609 1.00 0.00 N ATOM 1557 CA SER A 99 -5.030 1.612 2.434 1.00 0.00 C ATOM 1558 C SER A 99 -4.238 2.604 1.589 1.00 0.00 C ATOM 1559 O SER A 99 -4.010 3.743 1.998 1.00 0.00 O ATOM 1560 CB SER A 99 -4.074 0.657 3.151 1.00 0.00 C ATOM 1561 OG SER A 99 -3.569 1.239 4.341 1.00 0.00 O ATOM 0 H SER A 99 -6.067 -0.120 1.866 1.00 0.00 H new ATOM 0 HA SER A 99 -5.600 2.169 3.177 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.593 -0.272 3.388 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.247 0.400 2.489 1.00 0.00 H new ATOM 0 HG SER A 99 -3.383 0.534 4.996 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.819 2.164 0.408 1.00 0.00 N ATOM 1568 CA LYS A 100 -3.053 3.011 -0.498 1.00 0.00 C ATOM 1569 C LYS A 100 -3.749 4.352 -0.709 1.00 0.00 C ATOM 1570 O LYS A 100 -3.265 5.390 -0.259 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.857 2.309 -1.843 1.00 0.00 C ATOM 1572 CG LYS A 100 -1.665 2.825 -2.631 1.00 0.00 C ATOM 1573 CD LYS A 100 -2.051 3.992 -3.525 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.983 4.267 -4.573 1.00 0.00 C ATOM 1575 NZ LYS A 100 -1.555 4.897 -5.796 1.00 0.00 N ATOM 0 H LYS A 100 -3.997 1.224 0.055 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.078 3.195 -0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.733 1.240 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.759 2.432 -2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.880 3.137 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.254 2.020 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.999 3.776 -4.018 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.203 4.883 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.220 4.921 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.490 3.333 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.796 5.068 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.265 4.262 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.004 5.801 -5.544 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.888 4.321 -1.394 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.650 5.534 -1.663 1.00 0.00 C ATOM 1591 C GLU A 101 -6.062 6.218 -0.363 1.00 0.00 C ATOM 1592 O GLU A 101 -6.119 7.444 -0.286 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.891 5.209 -2.497 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.574 4.771 -3.917 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.463 5.940 -4.877 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.223 6.917 -4.713 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.616 5.877 -5.792 1.00 0.00 O ATOM 0 H GLU A 101 -5.303 3.469 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.012 6.216 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.456 4.420 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.535 6.088 -2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.638 4.213 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.352 4.092 -4.266 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.348 5.414 0.657 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.756 5.941 1.953 1.00 0.00 C ATOM 1606 C GLU A 102 -5.644 6.782 2.573 1.00 0.00 C ATOM 1607 O GLU A 102 -5.897 7.636 3.422 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.133 4.798 2.898 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.524 4.238 2.652 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.621 5.212 3.037 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.631 5.663 4.201 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.468 5.523 2.174 1.00 0.00 O ATOM 0 H GLU A 102 -6.304 4.396 0.610 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.627 6.578 1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.403 3.995 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.070 5.153 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.626 3.979 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.646 3.316 3.220 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.411 6.532 2.143 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.260 7.266 2.654 1.00 0.00 C ATOM 1621 C ALA A 103 -2.978 8.503 1.807 1.00 0.00 C ATOM 1622 O ALA A 103 -2.412 9.484 2.292 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.036 6.364 2.698 1.00 0.00 C ATOM 0 H ALA A 103 -4.184 5.827 1.442 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.491 7.596 3.667 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.184 6.925 3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.234 5.514 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.812 6.006 1.693 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.376 8.450 0.541 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.165 9.567 -0.374 1.00 0.00 C ATOM 1631 C LEU A 104 -4.293 10.586 -0.258 1.00 0.00 C ATOM 1632 O LEU A 104 -4.054 11.768 -0.004 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.067 9.060 -1.814 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.676 8.626 -2.280 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.762 7.900 -3.614 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.749 9.828 -2.384 1.00 0.00 C ATOM 0 H LEU A 104 -3.846 7.646 0.124 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.229 10.056 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.746 8.215 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.422 9.846 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.265 7.938 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.763 7.599 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.391 7.016 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.194 8.564 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.236 9.500 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.156 10.540 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.662 10.306 -1.408 1.00 0.00 H new ATOM 1648 N THR A 105 -5.525 10.122 -0.443 1.00 0.00 N ATOM 1649 CA THR A 105 -6.691 10.993 -0.358 1.00 0.00 C ATOM 1650 C THR A 105 -6.564 11.969 0.807 1.00 0.00 C ATOM 1651 O THR A 105 -6.915 13.142 0.686 1.00 0.00 O ATOM 1652 CB THR A 105 -7.988 10.180 -0.193 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.118 11.059 -0.171 1.00 0.00 O ATOM 1654 CG2 THR A 105 -7.954 9.359 1.087 1.00 0.00 C ATOM 0 H THR A 105 -5.741 9.147 -0.653 1.00 0.00 H new ATOM 0 HA THR A 105 -6.738 11.551 -1.293 1.00 0.00 H new ATOM 0 HB THR A 105 -8.073 9.499 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.939 10.534 -0.067 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.881 8.793 1.181 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.110 8.670 1.055 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.846 10.025 1.943 1.00 0.00 H new ATOM 1662 N MET A 106 -6.060 11.476 1.934 1.00 0.00 N ATOM 1663 CA MET A 106 -5.886 12.306 3.120 1.00 0.00 C ATOM 1664 C MET A 106 -4.647 13.187 2.990 1.00 0.00 C ATOM 1665 O MET A 106 -4.585 14.275 3.561 1.00 0.00 O ATOM 1666 CB MET A 106 -5.775 11.431 4.369 1.00 0.00 C ATOM 1667 CG MET A 106 -4.564 10.512 4.362 1.00 0.00 C ATOM 1668 SD MET A 106 -4.428 9.530 5.869 1.00 0.00 S ATOM 1669 CE MET A 106 -4.097 10.810 7.077 1.00 0.00 C ATOM 0 H MET A 106 -5.765 10.506 2.050 1.00 0.00 H new ATOM 0 HA MET A 106 -6.760 12.950 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 106 -5.729 12.073 5.249 1.00 0.00 H new ATOM 0 HB3 MET A 106 -6.678 10.828 4.461 1.00 0.00 H new ATOM 0 HG2 MET A 106 -4.624 9.845 3.502 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.660 11.109 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 106 -3.661 10.363 7.970 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.400 11.535 6.657 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.028 11.312 7.340 1.00 0.00 H new ATOM 1679 N ALA A 107 -3.663 12.708 2.235 1.00 0.00 N ATOM 1680 CA ALA A 107 -2.427 13.453 2.029 1.00 0.00 C ATOM 1681 C ALA A 107 -2.621 14.566 1.005 1.00 0.00 C ATOM 1682 O ALA A 107 -3.685 14.685 0.396 1.00 0.00 O ATOM 1683 CB ALA A 107 -1.313 12.515 1.588 1.00 0.00 C ATOM 0 H ALA A 107 -3.698 11.808 1.756 1.00 0.00 H new ATOM 0 HA ALA A 107 -2.146 13.912 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.396 13.085 1.438 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.149 11.759 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.595 12.029 0.654 1.00 0.00 H new ATOM 1689 N PHE A 108 -1.586 15.379 0.819 1.00 0.00 N ATOM 1690 CA PHE A 108 -1.644 16.484 -0.131 1.00 0.00 C ATOM 1691 C PHE A 108 -2.750 17.466 0.243 1.00 0.00 C ATOM 1692 O PHE A 108 -3.498 17.932 -0.616 1.00 0.00 O ATOM 1693 CB PHE A 108 -1.874 15.955 -1.548 1.00 0.00 C ATOM 1694 CG PHE A 108 -1.264 16.817 -2.616 1.00 0.00 C ATOM 1695 CD1 PHE A 108 0.069 16.673 -2.965 1.00 0.00 C ATOM 1696 CD2 PHE A 108 -2.025 17.772 -3.273 1.00 0.00 C ATOM 1697 CE1 PHE A 108 0.632 17.466 -3.947 1.00 0.00 C ATOM 1698 CE2 PHE A 108 -1.467 18.567 -4.256 1.00 0.00 C ATOM 1699 CZ PHE A 108 -0.137 18.413 -4.594 1.00 0.00 C ATOM 0 H PHE A 108 -0.698 15.293 1.313 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.689 17.009 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.460 14.949 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.946 15.873 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 108 0.675 15.933 -2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.066 17.896 -3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.673 17.345 -4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.070 19.308 -4.759 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.301 19.032 -5.363 1.00 0.00 H new ATOM 1709 N SER A 109 -2.848 17.775 1.532 1.00 0.00 N ATOM 1710 CA SER A 109 -3.865 18.698 2.022 1.00 0.00 C ATOM 1711 C SER A 109 -3.304 20.112 2.142 1.00 0.00 C ATOM 1712 O SER A 109 -4.050 21.090 2.152 1.00 0.00 O ATOM 1713 CB SER A 109 -4.397 18.231 3.378 1.00 0.00 C ATOM 1714 OG SER A 109 -3.547 18.653 4.431 1.00 0.00 O ATOM 0 H SER A 109 -2.235 17.400 2.256 1.00 0.00 H new ATOM 0 HA SER A 109 -4.684 18.711 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.400 18.627 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.479 17.144 3.386 1.00 0.00 H new ATOM 0 HG SER A 109 -3.909 18.344 5.288 1.00 0.00 H new ATOM 1720 N GLY A 110 -1.981 20.211 2.233 1.00 0.00 N ATOM 1721 CA GLY A 110 -1.340 21.508 2.351 1.00 0.00 C ATOM 1722 C GLY A 110 0.167 21.401 2.469 1.00 0.00 C ATOM 1723 O GLY A 110 0.705 20.403 2.949 1.00 0.00 O ATOM 0 H GLY A 110 -1.342 19.416 2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.591 22.114 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.734 22.026 3.225 1.00 0.00 H new ATOM 1727 N PRO A 111 0.875 22.449 2.022 1.00 0.00 N ATOM 1728 CA PRO A 111 2.339 22.493 2.068 1.00 0.00 C ATOM 1729 C PRO A 111 2.871 22.616 3.492 1.00 0.00 C ATOM 1730 O PRO A 111 4.081 22.674 3.710 1.00 0.00 O ATOM 1731 CB PRO A 111 2.683 23.746 1.259 1.00 0.00 C ATOM 1732 CG PRO A 111 1.474 24.610 1.367 1.00 0.00 C ATOM 1733 CD PRO A 111 0.300 23.673 1.438 1.00 0.00 C ATOM 0 HA PRO A 111 2.786 21.580 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 111 3.564 24.247 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.902 23.499 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.524 25.241 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.391 25.275 0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.500 24.077 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.125 23.486 0.452 1.00 0.00 H new ATOM 1741 N SER A 112 1.959 22.655 4.458 1.00 0.00 N ATOM 1742 CA SER A 112 2.337 22.775 5.862 1.00 0.00 C ATOM 1743 C SER A 112 2.993 21.491 6.359 1.00 0.00 C ATOM 1744 O SER A 112 2.433 20.403 6.227 1.00 0.00 O ATOM 1745 CB SER A 112 1.110 23.098 6.716 1.00 0.00 C ATOM 1746 OG SER A 112 1.488 23.493 8.023 1.00 0.00 O ATOM 0 H SER A 112 0.953 22.605 4.295 1.00 0.00 H new ATOM 0 HA SER A 112 3.057 23.588 5.951 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.534 23.894 6.244 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.461 22.224 6.770 1.00 0.00 H new ATOM 0 HG SER A 112 0.686 23.696 8.548 1.00 0.00 H new ATOM 1752 N SER A 113 4.185 21.626 6.931 1.00 0.00 N ATOM 1753 CA SER A 113 4.921 20.477 7.445 1.00 0.00 C ATOM 1754 C SER A 113 4.257 19.925 8.703 1.00 0.00 C ATOM 1755 O SER A 113 4.203 20.594 9.735 1.00 0.00 O ATOM 1756 CB SER A 113 6.369 20.866 7.748 1.00 0.00 C ATOM 1757 OG SER A 113 6.429 21.891 8.724 1.00 0.00 O ATOM 0 H SER A 113 4.662 22.520 7.050 1.00 0.00 H new ATOM 0 HA SER A 113 4.913 19.700 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.917 19.992 8.100 1.00 0.00 H new ATOM 0 HB3 SER A 113 6.857 21.202 6.833 1.00 0.00 H new ATOM 0 HG SER A 113 5.770 21.712 9.427 1.00 0.00 H new ATOM 1763 N GLY A 114 3.752 18.699 8.609 1.00 0.00 N ATOM 1764 CA GLY A 114 3.098 18.077 9.746 1.00 0.00 C ATOM 1765 C GLY A 114 1.950 18.909 10.281 1.00 0.00 C ATOM 1766 O GLY A 114 1.754 19.003 11.492 1.00 0.00 O ATOM 0 H GLY A 114 3.784 18.125 7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 114 2.726 17.095 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.828 17.919 10.539 1.00 0.00 H new TER 1770 GLY A 114