USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 750 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 29 TYR OH : rot -117:sc= 1.16 USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 73 HIS : no HD1:sc= -1.75 K(o=-0.59,f=-4) USER MOD Set 2.1: A 2 ASN : amide:sc= -0.526 K(o=-0.53,f=-2!) USER MOD Set 2.2: A -1 SER OG : rot -140:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot -54:sc= 0.178 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= -0.0806 (180deg=-0.529) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.23) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.928 K(o=-0.93,f=-1.5) USER MOD Single : A 39 CYS SG : rot -156:sc= -3.7! USER MOD Single : A 42 MET CE :methyl -146:sc=-0.000877 (180deg=-0.101) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 88:sc= 0.778 USER MOD Single : A 48 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.15) USER MOD Single : A 49 GLN : amide:sc= -0.0736 X(o=-0.074,f=-0.35) USER MOD Single : A 50 SER OG : rot -133:sc= 1.21 USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0175) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.528 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 161:sc= 0.132 (180deg=-0.042) USER MOD Single : A 85 CYS SG : rot -150:sc= -0.454 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0903 K(o=-0.09,f=-2!) USER MOD Single : A 93 SER OG : rot -59:sc= 0.104 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -10.672 -10.994 -23.525 1.00 0.00 N ATOM 2 CA GLY A -6 -9.971 -11.387 -22.316 1.00 0.00 C ATOM 3 C GLY A -6 -10.103 -10.360 -21.210 1.00 0.00 C ATOM 4 O GLY A -6 -11.142 -10.272 -20.556 1.00 0.00 O ATOM 0 H1 GLY A -6 -10.551 -11.729 -24.251 1.00 0.00 H new ATOM 0 H2 GLY A -6 -11.684 -10.876 -23.317 1.00 0.00 H new ATOM 0 H3 GLY A -6 -10.283 -10.095 -23.875 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -10.361 -12.343 -21.968 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -8.916 -11.537 -22.544 1.00 0.00 H new ATOM 8 N SER A -5 -9.047 -9.581 -20.998 1.00 0.00 N ATOM 9 CA SER A -5 -9.047 -8.558 -19.959 1.00 0.00 C ATOM 10 C SER A -5 -10.313 -7.711 -20.031 1.00 0.00 C ATOM 11 O SER A -5 -11.108 -7.681 -19.092 1.00 0.00 O ATOM 12 CB SER A -5 -7.813 -7.664 -20.093 1.00 0.00 C ATOM 13 OG SER A -5 -7.740 -6.732 -19.028 1.00 0.00 O ATOM 0 H SER A -5 -8.180 -9.639 -21.532 1.00 0.00 H new ATOM 0 HA SER A -5 -9.020 -9.059 -18.991 1.00 0.00 H new ATOM 0 HB2 SER A -5 -6.914 -8.280 -20.104 1.00 0.00 H new ATOM 0 HB3 SER A -5 -7.847 -7.132 -21.044 1.00 0.00 H new ATOM 0 HG SER A -5 -6.942 -6.174 -19.136 1.00 0.00 H new ATOM 19 N SER A -4 -10.494 -7.022 -21.153 1.00 0.00 N ATOM 20 CA SER A -4 -11.661 -6.170 -21.349 1.00 0.00 C ATOM 21 C SER A -4 -11.578 -4.926 -20.469 1.00 0.00 C ATOM 22 O SER A -4 -12.573 -4.497 -19.887 1.00 0.00 O ATOM 23 CB SER A -4 -12.942 -6.945 -21.036 1.00 0.00 C ATOM 24 OG SER A -4 -14.083 -6.262 -21.525 1.00 0.00 O ATOM 0 H SER A -4 -9.847 -7.037 -21.941 1.00 0.00 H new ATOM 0 HA SER A -4 -11.681 -5.856 -22.393 1.00 0.00 H new ATOM 0 HB2 SER A -4 -12.889 -7.938 -21.483 1.00 0.00 H new ATOM 0 HB3 SER A -4 -13.032 -7.085 -19.959 1.00 0.00 H new ATOM 0 HG SER A -4 -14.086 -5.343 -21.184 1.00 0.00 H new ATOM 30 N GLY A -3 -10.383 -4.351 -20.379 1.00 0.00 N ATOM 31 CA GLY A -3 -10.191 -3.162 -19.569 1.00 0.00 C ATOM 32 C GLY A -3 -8.900 -2.438 -19.898 1.00 0.00 C ATOM 33 O GLY A -3 -7.917 -2.544 -19.165 1.00 0.00 O ATOM 0 H GLY A -3 -9.544 -4.687 -20.852 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -11.032 -2.485 -19.718 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -10.189 -3.440 -18.515 1.00 0.00 H new ATOM 37 N SER A -2 -8.902 -1.703 -21.005 1.00 0.00 N ATOM 38 CA SER A -2 -7.721 -0.963 -21.434 1.00 0.00 C ATOM 39 C SER A -2 -7.392 0.154 -20.447 1.00 0.00 C ATOM 40 O SER A -2 -6.283 0.221 -19.916 1.00 0.00 O ATOM 41 CB SER A -2 -7.938 -0.378 -22.830 1.00 0.00 C ATOM 42 OG SER A -2 -6.851 0.449 -23.211 1.00 0.00 O ATOM 0 H SER A -2 -9.709 -1.604 -21.621 1.00 0.00 H new ATOM 0 HA SER A -2 -6.880 -1.656 -21.466 1.00 0.00 H new ATOM 0 HB2 SER A -2 -8.055 -1.186 -23.552 1.00 0.00 H new ATOM 0 HB3 SER A -2 -8.862 0.200 -22.846 1.00 0.00 H new ATOM 0 HG SER A -2 -7.013 0.810 -24.108 1.00 0.00 H new ATOM 48 N SER A -1 -8.364 1.028 -20.208 1.00 0.00 N ATOM 49 CA SER A -1 -8.178 2.145 -19.289 1.00 0.00 C ATOM 50 C SER A -1 -9.455 2.417 -18.499 1.00 0.00 C ATOM 51 O SER A -1 -10.543 2.498 -19.066 1.00 0.00 O ATOM 52 CB SER A -1 -7.762 3.401 -20.056 1.00 0.00 C ATOM 53 OG SER A -1 -8.725 3.741 -21.039 1.00 0.00 O ATOM 0 H SER A -1 -9.288 0.984 -20.638 1.00 0.00 H new ATOM 0 HA SER A -1 -7.387 1.878 -18.588 1.00 0.00 H new ATOM 0 HB2 SER A -1 -7.639 4.231 -19.361 1.00 0.00 H new ATOM 0 HB3 SER A -1 -6.795 3.237 -20.531 1.00 0.00 H new ATOM 0 HG SER A -1 -8.269 4.042 -21.853 1.00 0.00 H new ATOM 59 N GLY A 0 -9.312 2.558 -17.185 1.00 0.00 N ATOM 60 CA GLY A 0 -10.460 2.819 -16.337 1.00 0.00 C ATOM 61 C GLY A 0 -10.933 4.257 -16.428 1.00 0.00 C ATOM 62 O GLY A 0 -11.797 4.583 -17.241 1.00 0.00 O ATOM 0 H GLY A 0 -8.421 2.496 -16.692 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -11.275 2.153 -16.619 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -10.204 2.589 -15.303 1.00 0.00 H new ATOM 66 N MET A 1 -10.365 5.118 -15.590 1.00 0.00 N ATOM 67 CA MET A 1 -10.734 6.529 -15.579 1.00 0.00 C ATOM 68 C MET A 1 -10.058 7.277 -16.723 1.00 0.00 C ATOM 69 O MET A 1 -10.698 8.044 -17.440 1.00 0.00 O ATOM 70 CB MET A 1 -10.354 7.167 -14.242 1.00 0.00 C ATOM 71 CG MET A 1 -10.957 8.547 -14.034 1.00 0.00 C ATOM 72 SD MET A 1 -10.640 9.203 -12.384 1.00 0.00 S ATOM 73 CE MET A 1 -12.172 8.787 -11.555 1.00 0.00 C ATOM 0 H MET A 1 -9.648 4.864 -14.910 1.00 0.00 H new ATOM 0 HA MET A 1 -11.814 6.597 -15.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.676 6.513 -13.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.268 7.241 -14.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.550 9.233 -14.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.033 8.498 -14.201 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.131 9.129 -10.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.005 9.272 -12.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.314 7.707 -11.575 1.00 0.00 H new ATOM 83 N ASN A 2 -8.759 7.047 -16.888 1.00 0.00 N ATOM 84 CA ASN A 2 -7.995 7.700 -17.945 1.00 0.00 C ATOM 85 C ASN A 2 -8.010 9.216 -17.770 1.00 0.00 C ATOM 86 O ASN A 2 -8.162 9.961 -18.737 1.00 0.00 O ATOM 87 CB ASN A 2 -8.562 7.328 -19.317 1.00 0.00 C ATOM 88 CG ASN A 2 -7.580 7.599 -20.441 1.00 0.00 C ATOM 89 OD1 ASN A 2 -6.745 8.498 -20.347 1.00 0.00 O ATOM 90 ND2 ASN A 2 -7.678 6.819 -21.511 1.00 0.00 N ATOM 0 H ASN A 2 -8.214 6.414 -16.303 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.963 7.355 -17.880 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.833 6.272 -19.321 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.478 7.892 -19.494 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.045 6.953 -22.299 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.386 6.086 -21.544 1.00 0.00 H new ATOM 97 N ASN A 3 -7.852 9.664 -16.529 1.00 0.00 N ATOM 98 CA ASN A 3 -7.847 11.091 -16.227 1.00 0.00 C ATOM 99 C ASN A 3 -6.443 11.566 -15.867 1.00 0.00 C ATOM 100 O ASN A 3 -5.796 11.009 -14.981 1.00 0.00 O ATOM 101 CB ASN A 3 -8.810 11.393 -15.077 1.00 0.00 C ATOM 102 CG ASN A 3 -8.518 12.725 -14.413 1.00 0.00 C ATOM 103 OD1 ASN A 3 -8.911 13.779 -14.913 1.00 0.00 O ATOM 104 ND2 ASN A 3 -7.826 12.683 -13.281 1.00 0.00 N ATOM 0 H ASN A 3 -7.726 9.060 -15.717 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.175 11.627 -17.118 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.833 11.395 -15.454 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.745 10.598 -14.334 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.600 13.547 -12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.520 11.786 -12.903 1.00 0.00 H new ATOM 111 N SER A 4 -5.978 12.601 -16.561 1.00 0.00 N ATOM 112 CA SER A 4 -4.649 13.150 -16.317 1.00 0.00 C ATOM 113 C SER A 4 -4.740 14.494 -15.601 1.00 0.00 C ATOM 114 O SER A 4 -5.164 15.492 -16.182 1.00 0.00 O ATOM 115 CB SER A 4 -3.892 13.312 -17.637 1.00 0.00 C ATOM 116 OG SER A 4 -2.601 13.854 -17.420 1.00 0.00 O ATOM 0 H SER A 4 -6.502 13.076 -17.296 1.00 0.00 H new ATOM 0 HA SER A 4 -4.106 12.454 -15.678 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.805 12.345 -18.132 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.456 13.963 -18.306 1.00 0.00 H new ATOM 0 HG SER A 4 -2.137 13.947 -18.278 1.00 0.00 H new ATOM 122 N GLY A 5 -4.337 14.511 -14.334 1.00 0.00 N ATOM 123 CA GLY A 5 -4.380 15.736 -13.558 1.00 0.00 C ATOM 124 C GLY A 5 -3.255 15.822 -12.546 1.00 0.00 C ATOM 125 O GLY A 5 -2.181 15.257 -12.753 1.00 0.00 O ATOM 0 H GLY A 5 -3.981 13.698 -13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.324 16.591 -14.232 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -5.337 15.800 -13.039 1.00 0.00 H new ATOM 129 N ALA A 6 -3.500 16.531 -11.450 1.00 0.00 N ATOM 130 CA ALA A 6 -2.499 16.689 -10.402 1.00 0.00 C ATOM 131 C ALA A 6 -2.974 16.070 -9.092 1.00 0.00 C ATOM 132 O ALA A 6 -2.729 16.612 -8.014 1.00 0.00 O ATOM 133 CB ALA A 6 -2.169 18.161 -10.204 1.00 0.00 C ATOM 0 H ALA A 6 -4.384 17.006 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.596 16.165 -10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.420 18.264 -9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.778 18.575 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.072 18.701 -9.918 1.00 0.00 H new ATOM 139 N ASP A 7 -3.655 14.934 -9.192 1.00 0.00 N ATOM 140 CA ASP A 7 -4.164 14.241 -8.014 1.00 0.00 C ATOM 141 C ASP A 7 -3.473 12.892 -7.836 1.00 0.00 C ATOM 142 O ASP A 7 -3.416 12.356 -6.730 1.00 0.00 O ATOM 143 CB ASP A 7 -5.676 14.043 -8.127 1.00 0.00 C ATOM 144 CG ASP A 7 -6.335 13.837 -6.777 1.00 0.00 C ATOM 145 OD1 ASP A 7 -5.623 13.473 -5.818 1.00 0.00 O ATOM 146 OD2 ASP A 7 -7.563 14.041 -6.679 1.00 0.00 O ATOM 0 H ASP A 7 -3.867 14.473 -10.077 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.950 14.856 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.118 14.912 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.880 13.182 -8.763 1.00 0.00 H new ATOM 151 N GLU A 8 -2.952 12.351 -8.932 1.00 0.00 N ATOM 152 CA GLU A 8 -2.267 11.064 -8.896 1.00 0.00 C ATOM 153 C GLU A 8 -0.778 11.247 -8.618 1.00 0.00 C ATOM 154 O GLU A 8 -0.084 10.300 -8.247 1.00 0.00 O ATOM 155 CB GLU A 8 -2.462 10.320 -10.219 1.00 0.00 C ATOM 156 CG GLU A 8 -3.853 10.484 -10.809 1.00 0.00 C ATOM 157 CD GLU A 8 -4.023 11.799 -11.544 1.00 0.00 C ATOM 158 OE1 GLU A 8 -3.164 12.120 -12.392 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.015 12.508 -11.271 1.00 0.00 O ATOM 0 H GLU A 8 -2.991 12.783 -9.855 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.700 10.474 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.726 10.678 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.265 9.259 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.052 9.660 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.592 10.420 -10.011 1.00 0.00 H new ATOM 166 N ILE A 9 -0.294 12.471 -8.801 1.00 0.00 N ATOM 167 CA ILE A 9 1.111 12.780 -8.570 1.00 0.00 C ATOM 168 C ILE A 9 1.600 12.169 -7.261 1.00 0.00 C ATOM 169 O ILE A 9 2.516 11.348 -7.251 1.00 0.00 O ATOM 170 CB ILE A 9 1.357 14.300 -8.538 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.856 14.947 -9.831 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.835 14.593 -8.330 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.031 16.449 -9.862 1.00 0.00 C ATOM 0 H ILE A 9 -0.855 13.265 -9.109 1.00 0.00 H new ATOM 0 HA ILE A 9 1.669 12.348 -9.401 1.00 0.00 H new ATOM 0 HB ILE A 9 0.802 14.726 -7.702 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.388 14.510 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.200 14.710 -9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.993 15.671 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.162 14.160 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.411 14.157 -9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.654 16.840 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.476 16.897 -9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.088 16.694 -9.764 1.00 0.00 H new ATOM 185 N GLY A 10 0.980 12.575 -6.157 1.00 0.00 N ATOM 186 CA GLY A 10 1.364 12.056 -4.857 1.00 0.00 C ATOM 187 C GLY A 10 0.727 10.714 -4.557 1.00 0.00 C ATOM 188 O GLY A 10 0.701 10.274 -3.408 1.00 0.00 O ATOM 0 H GLY A 10 0.219 13.254 -6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.449 11.957 -4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.079 12.771 -4.085 1.00 0.00 H new ATOM 192 N LYS A 11 0.209 10.062 -5.592 1.00 0.00 N ATOM 193 CA LYS A 11 -0.433 8.762 -5.435 1.00 0.00 C ATOM 194 C LYS A 11 0.501 7.638 -5.874 1.00 0.00 C ATOM 195 O LYS A 11 1.311 7.811 -6.786 1.00 0.00 O ATOM 196 CB LYS A 11 -1.729 8.709 -6.247 1.00 0.00 C ATOM 197 CG LYS A 11 -2.601 7.508 -5.922 1.00 0.00 C ATOM 198 CD LYS A 11 -3.889 7.520 -6.728 1.00 0.00 C ATOM 199 CE LYS A 11 -4.969 8.341 -6.040 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.385 7.736 -4.744 1.00 0.00 N ATOM 0 H LYS A 11 0.221 10.413 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.667 8.625 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.299 9.621 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.482 8.692 -7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.050 6.591 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.837 7.506 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.695 7.929 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.241 6.498 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.601 9.352 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.835 8.424 -6.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.354 8.037 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.353 6.699 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.739 8.049 -3.992 1.00 0.00 H new ATOM 214 N LEU A 12 0.381 6.488 -5.221 1.00 0.00 N ATOM 215 CA LEU A 12 1.213 5.334 -5.545 1.00 0.00 C ATOM 216 C LEU A 12 0.381 4.057 -5.588 1.00 0.00 C ATOM 217 O LEU A 12 -0.178 3.633 -4.576 1.00 0.00 O ATOM 218 CB LEU A 12 2.339 5.188 -4.519 1.00 0.00 C ATOM 219 CG LEU A 12 3.524 4.319 -4.942 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.305 4.990 -6.061 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.429 4.036 -3.752 1.00 0.00 C ATOM 0 H LEU A 12 -0.284 6.329 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 12 1.647 5.496 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.712 6.183 -4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.918 4.772 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 12 3.140 3.369 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.144 4.357 -6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.652 5.140 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.679 5.954 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.267 3.416 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.806 4.976 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.864 3.512 -2.981 1.00 0.00 H new ATOM 233 N PHE A 13 0.303 3.447 -6.766 1.00 0.00 N ATOM 234 CA PHE A 13 -0.460 2.217 -6.942 1.00 0.00 C ATOM 235 C PHE A 13 0.422 0.992 -6.716 1.00 0.00 C ATOM 236 O PHE A 13 1.368 0.748 -7.466 1.00 0.00 O ATOM 237 CB PHE A 13 -1.073 2.167 -8.343 1.00 0.00 C ATOM 238 CG PHE A 13 -1.552 0.800 -8.739 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.667 -0.139 -9.244 1.00 0.00 C ATOM 240 CD2 PHE A 13 -2.887 0.453 -8.607 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.105 -1.398 -9.611 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.331 -0.804 -8.971 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.438 -1.731 -9.473 1.00 0.00 C ATOM 0 H PHE A 13 0.759 3.785 -7.613 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.261 2.208 -6.203 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.910 2.864 -8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.333 2.508 -9.067 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.377 0.116 -9.352 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.589 1.174 -8.215 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.405 -2.120 -10.005 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.374 -1.061 -8.863 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.782 -2.715 -9.757 1.00 0.00 H new ATOM 253 N VAL A 14 0.106 0.226 -5.677 1.00 0.00 N ATOM 254 CA VAL A 14 0.869 -0.974 -5.352 1.00 0.00 C ATOM 255 C VAL A 14 0.304 -2.195 -6.069 1.00 0.00 C ATOM 256 O VAL A 14 -0.833 -2.598 -5.828 1.00 0.00 O ATOM 257 CB VAL A 14 0.876 -1.240 -3.835 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.890 -2.320 -3.487 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.168 0.042 -3.071 1.00 0.00 C ATOM 0 H VAL A 14 -0.673 0.415 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 14 1.891 -0.800 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.112 -1.594 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.881 -2.494 -2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.632 -3.243 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.885 -1.997 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.169 -0.164 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.143 0.428 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.401 0.783 -3.297 1.00 0.00 H new ATOM 269 N GLY A 15 1.108 -2.781 -6.952 1.00 0.00 N ATOM 270 CA GLY A 15 0.671 -3.951 -7.690 1.00 0.00 C ATOM 271 C GLY A 15 1.344 -5.222 -7.213 1.00 0.00 C ATOM 272 O GLY A 15 2.569 -5.336 -7.250 1.00 0.00 O ATOM 0 H GLY A 15 2.054 -2.466 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.409 -4.057 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.882 -3.808 -8.750 1.00 0.00 H new ATOM 276 N GLY A 16 0.542 -6.182 -6.761 1.00 0.00 N ATOM 277 CA GLY A 16 1.085 -7.438 -6.279 1.00 0.00 C ATOM 278 C GLY A 16 0.869 -7.630 -4.791 1.00 0.00 C ATOM 279 O GLY A 16 1.750 -8.123 -4.086 1.00 0.00 O ATOM 0 H GLY A 16 -0.475 -6.112 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.620 -8.262 -6.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.153 -7.476 -6.496 1.00 0.00 H new ATOM 283 N LEU A 17 -0.307 -7.240 -4.311 1.00 0.00 N ATOM 284 CA LEU A 17 -0.637 -7.371 -2.896 1.00 0.00 C ATOM 285 C LEU A 17 -1.104 -8.787 -2.574 1.00 0.00 C ATOM 286 O LEU A 17 -1.206 -9.634 -3.462 1.00 0.00 O ATOM 287 CB LEU A 17 -1.722 -6.363 -2.510 1.00 0.00 C ATOM 288 CG LEU A 17 -1.255 -4.922 -2.300 1.00 0.00 C ATOM 289 CD1 LEU A 17 -0.330 -4.830 -1.097 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.562 -4.399 -3.550 1.00 0.00 C ATOM 0 H LEU A 17 -1.048 -6.831 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 17 0.264 -7.166 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.486 -6.367 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.199 -6.707 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.130 -4.301 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.008 -3.797 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.860 -5.163 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.542 -5.464 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.236 -3.372 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.304 -5.022 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.256 -4.427 -4.390 1.00 0.00 H new ATOM 302 N ASP A 18 -1.388 -9.035 -1.301 1.00 0.00 N ATOM 303 CA ASP A 18 -1.848 -10.348 -0.862 1.00 0.00 C ATOM 304 C ASP A 18 -3.299 -10.287 -0.395 1.00 0.00 C ATOM 305 O ASP A 18 -3.795 -9.226 -0.016 1.00 0.00 O ATOM 306 CB ASP A 18 -0.958 -10.873 0.265 1.00 0.00 C ATOM 307 CG ASP A 18 -1.056 -12.377 0.427 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.646 -13.032 -0.457 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.542 -12.899 1.438 1.00 0.00 O ATOM 0 H ASP A 18 -1.308 -8.345 -0.554 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.787 -11.030 -1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.078 -10.599 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.239 -10.391 1.201 1.00 0.00 H new ATOM 314 N TRP A 19 -3.973 -11.431 -0.424 1.00 0.00 N ATOM 315 CA TRP A 19 -5.368 -11.507 -0.005 1.00 0.00 C ATOM 316 C TRP A 19 -5.504 -11.215 1.486 1.00 0.00 C ATOM 317 O TRP A 19 -6.607 -10.990 1.985 1.00 0.00 O ATOM 318 CB TRP A 19 -5.942 -12.889 -0.321 1.00 0.00 C ATOM 319 CG TRP A 19 -5.059 -14.015 0.124 1.00 0.00 C ATOM 320 CD1 TRP A 19 -4.208 -14.746 -0.655 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.942 -14.539 1.451 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.569 -15.694 0.108 1.00 0.00 N ATOM 323 CE2 TRP A 19 -4.001 -15.587 1.404 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.538 -14.224 2.675 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.646 -16.319 2.533 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -5.184 -14.953 3.795 1.00 0.00 C ATOM 327 CH2 TRP A 19 -4.245 -15.990 3.718 1.00 0.00 C ATOM 0 H TRP A 19 -3.576 -12.318 -0.733 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.930 -10.753 -0.557 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.915 -12.989 0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.107 -12.969 -1.395 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -4.059 -14.601 -1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.884 -16.368 -0.235 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.262 -13.426 2.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.923 -17.119 2.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.639 -14.719 4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.989 -16.540 4.611 1.00 0.00 H new ATOM 338 N SER A 20 -4.378 -11.219 2.191 1.00 0.00 N ATOM 339 CA SER A 20 -4.373 -10.958 3.626 1.00 0.00 C ATOM 340 C SER A 20 -3.967 -9.516 3.914 1.00 0.00 C ATOM 341 O SER A 20 -4.499 -8.877 4.823 1.00 0.00 O ATOM 342 CB SER A 20 -3.421 -11.920 4.338 1.00 0.00 C ATOM 343 OG SER A 20 -3.570 -11.838 5.744 1.00 0.00 O ATOM 0 H SER A 20 -3.457 -11.400 1.792 1.00 0.00 H new ATOM 0 HA SER A 20 -5.384 -11.115 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.616 -12.940 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.392 -11.687 4.064 1.00 0.00 H new ATOM 0 HG SER A 20 -2.951 -12.464 6.176 1.00 0.00 H new ATOM 349 N THR A 21 -3.018 -9.007 3.133 1.00 0.00 N ATOM 350 CA THR A 21 -2.538 -7.642 3.304 1.00 0.00 C ATOM 351 C THR A 21 -3.676 -6.704 3.692 1.00 0.00 C ATOM 352 O THR A 21 -4.775 -6.783 3.143 1.00 0.00 O ATOM 353 CB THR A 21 -1.871 -7.116 2.019 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.591 -7.735 1.843 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.705 -5.605 2.074 1.00 0.00 C ATOM 0 H THR A 21 -2.567 -9.521 2.376 1.00 0.00 H new ATOM 0 HA THR A 21 -1.799 -7.665 4.105 1.00 0.00 H new ATOM 0 HB THR A 21 -2.514 -7.364 1.175 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.174 -7.397 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.232 -5.257 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.683 -5.135 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.081 -5.338 2.927 1.00 0.00 H new ATOM 363 N THR A 22 -3.405 -5.814 4.642 1.00 0.00 N ATOM 364 CA THR A 22 -4.405 -4.861 5.105 1.00 0.00 C ATOM 365 C THR A 22 -3.919 -3.426 4.932 1.00 0.00 C ATOM 366 O THR A 22 -2.721 -3.180 4.797 1.00 0.00 O ATOM 367 CB THR A 22 -4.763 -5.095 6.584 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.573 -5.100 7.381 1.00 0.00 O ATOM 369 CG2 THR A 22 -5.503 -6.412 6.760 1.00 0.00 C ATOM 0 H THR A 22 -2.500 -5.734 5.106 1.00 0.00 H new ATOM 0 HA THR A 22 -5.295 -5.016 4.495 1.00 0.00 H new ATOM 0 HB THR A 22 -5.415 -4.284 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.809 -5.248 8.321 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.745 -6.555 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.423 -6.394 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.872 -7.232 6.418 1.00 0.00 H new ATOM 377 N GLN A 23 -4.856 -2.484 4.938 1.00 0.00 N ATOM 378 CA GLN A 23 -4.522 -1.073 4.782 1.00 0.00 C ATOM 379 C GLN A 23 -3.613 -0.601 5.913 1.00 0.00 C ATOM 380 O GLN A 23 -2.811 0.315 5.734 1.00 0.00 O ATOM 381 CB GLN A 23 -5.795 -0.226 4.748 1.00 0.00 C ATOM 382 CG GLN A 23 -6.401 -0.095 3.360 1.00 0.00 C ATOM 383 CD GLN A 23 -7.780 0.534 3.383 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.060 1.415 4.196 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.651 0.084 2.487 1.00 0.00 N ATOM 0 H GLN A 23 -5.852 -2.672 5.049 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.990 -0.954 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.533 -0.667 5.418 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.570 0.769 5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.741 0.507 2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.463 -1.081 2.900 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.376 -0.648 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.594 0.470 2.454 1.00 0.00 H new ATOM 394 N GLU A 24 -3.745 -1.233 7.075 1.00 0.00 N ATOM 395 CA GLU A 24 -2.936 -0.876 8.234 1.00 0.00 C ATOM 396 C GLU A 24 -1.454 -1.110 7.956 1.00 0.00 C ATOM 397 O GLU A 24 -0.660 -0.169 7.922 1.00 0.00 O ATOM 398 CB GLU A 24 -3.371 -1.686 9.457 1.00 0.00 C ATOM 399 CG GLU A 24 -4.498 -1.040 10.245 1.00 0.00 C ATOM 400 CD GLU A 24 -5.802 -0.999 9.472 1.00 0.00 C ATOM 401 OE1 GLU A 24 -5.971 -0.081 8.643 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.653 -1.885 9.696 1.00 0.00 O ATOM 0 H GLU A 24 -4.404 -1.994 7.238 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.087 0.184 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.688 -2.677 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.513 -1.825 10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.648 -1.590 11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.210 -0.025 10.518 1.00 0.00 H new ATOM 409 N THR A 25 -1.087 -2.372 7.758 1.00 0.00 N ATOM 410 CA THR A 25 0.299 -2.732 7.485 1.00 0.00 C ATOM 411 C THR A 25 0.810 -2.037 6.229 1.00 0.00 C ATOM 412 O THR A 25 1.921 -1.506 6.209 1.00 0.00 O ATOM 413 CB THR A 25 0.461 -4.255 7.318 1.00 0.00 C ATOM 414 OG1 THR A 25 0.049 -4.926 8.513 1.00 0.00 O ATOM 415 CG2 THR A 25 1.905 -4.613 7.001 1.00 0.00 C ATOM 0 H THR A 25 -1.731 -3.163 7.782 1.00 0.00 H new ATOM 0 HA THR A 25 0.886 -2.404 8.343 1.00 0.00 H new ATOM 0 HB THR A 25 -0.168 -4.576 6.487 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.154 -5.894 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.996 -5.693 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.206 -4.124 6.074 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.550 -4.278 7.814 1.00 0.00 H new ATOM 423 N LEU A 26 -0.007 -2.041 5.182 1.00 0.00 N ATOM 424 CA LEU A 26 0.362 -1.410 3.920 1.00 0.00 C ATOM 425 C LEU A 26 0.752 0.049 4.135 1.00 0.00 C ATOM 426 O LEU A 26 1.683 0.552 3.506 1.00 0.00 O ATOM 427 CB LEU A 26 -0.796 -1.498 2.924 1.00 0.00 C ATOM 428 CG LEU A 26 -0.510 -0.979 1.514 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.541 -1.841 0.831 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.789 -0.941 0.691 1.00 0.00 C ATOM 0 H LEU A 26 -0.930 -2.475 5.182 1.00 0.00 H new ATOM 0 HA LEU A 26 1.223 -1.942 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.107 -2.540 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.641 -0.942 3.330 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.122 0.037 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.732 -1.457 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.464 -1.817 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.182 -2.868 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.567 -0.569 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.206 -1.945 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.511 -0.281 1.171 1.00 0.00 H new ATOM 442 N ARG A 27 0.036 0.722 5.029 1.00 0.00 N ATOM 443 CA ARG A 27 0.307 2.123 5.328 1.00 0.00 C ATOM 444 C ARG A 27 1.736 2.304 5.834 1.00 0.00 C ATOM 445 O ARG A 27 2.536 3.014 5.225 1.00 0.00 O ATOM 446 CB ARG A 27 -0.684 2.646 6.369 1.00 0.00 C ATOM 447 CG ARG A 27 -2.006 3.104 5.775 1.00 0.00 C ATOM 448 CD ARG A 27 -3.061 3.304 6.852 1.00 0.00 C ATOM 449 NE ARG A 27 -2.915 4.590 7.528 1.00 0.00 N ATOM 450 CZ ARG A 27 -2.091 4.793 8.550 1.00 0.00 C ATOM 451 NH1 ARG A 27 -1.343 3.800 9.011 1.00 0.00 N ATOM 452 NH2 ARG A 27 -2.013 5.992 9.114 1.00 0.00 N ATOM 0 H ARG A 27 -0.737 0.320 5.559 1.00 0.00 H new ATOM 0 HA ARG A 27 0.190 2.694 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.877 1.862 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.229 3.478 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.858 4.037 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.357 2.367 5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.053 3.240 6.404 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.989 2.499 7.584 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.476 5.375 7.198 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.399 2.877 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.711 3.959 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.586 6.759 8.763 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.380 6.146 9.899 1.00 0.00 H new ATOM 466 N SER A 28 2.048 1.656 6.953 1.00 0.00 N ATOM 467 CA SER A 28 3.378 1.749 7.543 1.00 0.00 C ATOM 468 C SER A 28 4.451 1.370 6.527 1.00 0.00 C ATOM 469 O SER A 28 5.364 2.149 6.253 1.00 0.00 O ATOM 470 CB SER A 28 3.478 0.841 8.771 1.00 0.00 C ATOM 471 OG SER A 28 2.934 1.471 9.917 1.00 0.00 O ATOM 0 H SER A 28 1.398 1.062 7.468 1.00 0.00 H new ATOM 0 HA SER A 28 3.542 2.782 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.949 -0.093 8.580 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.522 0.585 8.954 1.00 0.00 H new ATOM 0 HG SER A 28 3.008 0.870 10.687 1.00 0.00 H new ATOM 477 N TYR A 29 4.334 0.168 5.973 1.00 0.00 N ATOM 478 CA TYR A 29 5.294 -0.316 4.989 1.00 0.00 C ATOM 479 C TYR A 29 5.732 0.808 4.055 1.00 0.00 C ATOM 480 O TYR A 29 6.914 0.940 3.736 1.00 0.00 O ATOM 481 CB TYR A 29 4.690 -1.463 4.176 1.00 0.00 C ATOM 482 CG TYR A 29 5.583 -1.950 3.059 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.755 -2.645 3.332 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.256 -1.715 1.729 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.575 -3.091 2.313 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.069 -2.159 0.704 1.00 0.00 C ATOM 487 CZ TYR A 29 7.228 -2.846 1.001 1.00 0.00 C ATOM 488 OH TYR A 29 8.041 -3.290 -0.016 1.00 0.00 O ATOM 0 H TYR A 29 3.584 -0.489 6.189 1.00 0.00 H new ATOM 0 HA TYR A 29 6.170 -0.681 5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.472 -2.296 4.845 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.740 -1.137 3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.030 -2.840 4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.351 -1.176 1.492 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.483 -3.629 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.799 -1.969 -0.324 1.00 0.00 H new ATOM 0 HH TYR A 29 8.388 -2.522 -0.516 1.00 0.00 H new ATOM 498 N PHE A 30 4.771 1.616 3.622 1.00 0.00 N ATOM 499 CA PHE A 30 5.056 2.730 2.724 1.00 0.00 C ATOM 500 C PHE A 30 5.316 4.011 3.512 1.00 0.00 C ATOM 501 O PHE A 30 5.936 4.947 3.009 1.00 0.00 O ATOM 502 CB PHE A 30 3.891 2.942 1.755 1.00 0.00 C ATOM 503 CG PHE A 30 3.951 2.058 0.543 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.766 2.384 -0.529 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.192 0.901 0.475 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.824 1.572 -1.646 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.246 0.085 -0.640 1.00 0.00 C ATOM 508 CZ PHE A 30 4.062 0.422 -1.702 1.00 0.00 C ATOM 0 H PHE A 30 3.788 1.521 3.878 1.00 0.00 H new ATOM 0 HA PHE A 30 5.953 2.486 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.954 2.761 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.880 3.984 1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.363 3.283 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.551 0.633 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.465 1.837 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.651 -0.815 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.104 -0.213 -2.575 1.00 0.00 H new ATOM 518 N SER A 31 4.837 4.043 4.752 1.00 0.00 N ATOM 519 CA SER A 31 5.013 5.210 5.609 1.00 0.00 C ATOM 520 C SER A 31 6.491 5.449 5.904 1.00 0.00 C ATOM 521 O SER A 31 6.935 6.591 6.020 1.00 0.00 O ATOM 522 CB SER A 31 4.243 5.028 6.918 1.00 0.00 C ATOM 523 OG SER A 31 3.976 6.278 7.530 1.00 0.00 O ATOM 0 H SER A 31 4.325 3.275 5.185 1.00 0.00 H new ATOM 0 HA SER A 31 4.620 6.080 5.083 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.305 4.507 6.723 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.820 4.402 7.599 1.00 0.00 H new ATOM 0 HG SER A 31 3.482 6.135 8.364 1.00 0.00 H new ATOM 529 N GLN A 32 7.247 4.362 6.024 1.00 0.00 N ATOM 530 CA GLN A 32 8.675 4.453 6.307 1.00 0.00 C ATOM 531 C GLN A 32 9.392 5.259 5.229 1.00 0.00 C ATOM 532 O GLN A 32 10.488 5.775 5.453 1.00 0.00 O ATOM 533 CB GLN A 32 9.286 3.054 6.406 1.00 0.00 C ATOM 534 CG GLN A 32 8.658 2.046 5.457 1.00 0.00 C ATOM 535 CD GLN A 32 9.619 0.946 5.054 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.775 1.208 4.719 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.147 -0.295 5.085 1.00 0.00 N ATOM 0 H GLN A 32 6.895 3.409 5.930 1.00 0.00 H new ATOM 0 HA GLN A 32 8.800 4.965 7.261 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.354 3.118 6.199 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.180 2.692 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.783 1.602 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.308 2.563 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.182 -0.467 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.749 -1.076 4.825 1.00 0.00 H new ATOM 546 N TYR A 33 8.769 5.362 4.061 1.00 0.00 N ATOM 547 CA TYR A 33 9.350 6.103 2.948 1.00 0.00 C ATOM 548 C TYR A 33 8.807 7.528 2.900 1.00 0.00 C ATOM 549 O TYR A 33 9.568 8.494 2.871 1.00 0.00 O ATOM 550 CB TYR A 33 9.059 5.390 1.626 1.00 0.00 C ATOM 551 CG TYR A 33 9.668 4.009 1.537 1.00 0.00 C ATOM 552 CD1 TYR A 33 8.969 2.891 1.975 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.942 3.822 1.015 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.521 1.627 1.896 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.501 2.562 0.931 1.00 0.00 C ATOM 556 CZ TYR A 33 10.787 1.467 1.373 1.00 0.00 C ATOM 557 OH TYR A 33 11.341 0.211 1.292 1.00 0.00 O ATOM 0 H TYR A 33 7.862 4.942 3.860 1.00 0.00 H new ATOM 0 HA TYR A 33 10.429 6.149 3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.980 5.311 1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.436 5.998 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.977 3.012 2.384 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.505 4.677 0.669 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.964 0.769 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.492 2.434 0.521 1.00 0.00 H new ATOM 0 HH TYR A 33 12.237 0.273 0.899 1.00 0.00 H new ATOM 567 N GLY A 34 7.483 7.650 2.891 1.00 0.00 N ATOM 568 CA GLY A 34 6.859 8.960 2.847 1.00 0.00 C ATOM 569 C GLY A 34 5.624 9.043 3.721 1.00 0.00 C ATOM 570 O GLY A 34 4.904 8.059 3.885 1.00 0.00 O ATOM 0 H GLY A 34 6.832 6.865 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.579 9.713 3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.589 9.196 1.818 1.00 0.00 H new ATOM 574 N GLU A 35 5.379 10.222 4.286 1.00 0.00 N ATOM 575 CA GLU A 35 4.223 10.428 5.151 1.00 0.00 C ATOM 576 C GLU A 35 2.935 10.009 4.447 1.00 0.00 C ATOM 577 O GLU A 35 2.389 10.752 3.632 1.00 0.00 O ATOM 578 CB GLU A 35 4.130 11.895 5.575 1.00 0.00 C ATOM 579 CG GLU A 35 2.774 12.282 6.139 1.00 0.00 C ATOM 580 CD GLU A 35 2.863 13.396 7.163 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.785 14.232 7.052 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.012 13.433 8.076 1.00 0.00 O ATOM 0 H GLU A 35 5.965 11.047 4.160 1.00 0.00 H new ATOM 0 HA GLU A 35 4.351 9.808 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.896 12.097 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.350 12.527 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.122 12.595 5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.313 11.408 6.598 1.00 0.00 H new ATOM 589 N VAL A 36 2.455 8.811 4.768 1.00 0.00 N ATOM 590 CA VAL A 36 1.232 8.292 4.168 1.00 0.00 C ATOM 591 C VAL A 36 0.023 9.125 4.577 1.00 0.00 C ATOM 592 O VAL A 36 -0.277 9.263 5.763 1.00 0.00 O ATOM 593 CB VAL A 36 0.990 6.824 4.568 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.308 6.313 3.963 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.164 5.956 4.142 1.00 0.00 C ATOM 0 H VAL A 36 2.895 8.182 5.440 1.00 0.00 H new ATOM 0 HA VAL A 36 1.360 8.350 3.087 1.00 0.00 H new ATOM 0 HB VAL A 36 0.903 6.771 5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.462 5.275 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.140 6.919 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.254 6.379 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.976 4.922 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.285 6.013 3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.073 6.310 4.628 1.00 0.00 H new ATOM 605 N VAL A 37 -0.670 9.679 3.587 1.00 0.00 N ATOM 606 CA VAL A 37 -1.849 10.497 3.844 1.00 0.00 C ATOM 607 C VAL A 37 -3.119 9.655 3.819 1.00 0.00 C ATOM 608 O VAL A 37 -4.005 9.824 4.657 1.00 0.00 O ATOM 609 CB VAL A 37 -1.979 11.633 2.811 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.871 12.742 3.347 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.607 12.174 2.439 1.00 0.00 C ATOM 0 H VAL A 37 -0.435 9.576 2.600 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.724 10.930 4.836 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.442 11.230 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.951 13.536 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.862 12.341 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.440 13.145 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.718 12.975 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.115 12.561 3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.004 11.373 2.011 1.00 0.00 H new ATOM 621 N ASP A 38 -3.201 8.746 2.853 1.00 0.00 N ATOM 622 CA ASP A 38 -4.363 7.875 2.719 1.00 0.00 C ATOM 623 C ASP A 38 -3.991 6.579 2.006 1.00 0.00 C ATOM 624 O ASP A 38 -3.350 6.600 0.954 1.00 0.00 O ATOM 625 CB ASP A 38 -5.478 8.590 1.956 1.00 0.00 C ATOM 626 CG ASP A 38 -6.858 8.109 2.361 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.044 7.778 3.551 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.751 8.063 1.489 1.00 0.00 O ATOM 0 H ASP A 38 -2.477 8.593 2.151 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.719 7.629 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.404 9.663 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.341 8.432 0.886 1.00 0.00 H new ATOM 633 N CYS A 39 -4.396 5.454 2.584 1.00 0.00 N ATOM 634 CA CYS A 39 -4.103 4.148 2.005 1.00 0.00 C ATOM 635 C CYS A 39 -5.390 3.419 1.630 1.00 0.00 C ATOM 636 O CYS A 39 -6.350 3.397 2.400 1.00 0.00 O ATOM 637 CB CYS A 39 -3.290 3.302 2.985 1.00 0.00 C ATOM 638 SG CYS A 39 -3.077 1.581 2.475 1.00 0.00 S ATOM 0 H CYS A 39 -4.928 5.420 3.453 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.517 4.303 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.307 3.756 3.112 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.779 3.323 3.959 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.859 0.842 3.522 1.00 0.00 H new ATOM 644 N VAL A 40 -5.402 2.824 0.441 1.00 0.00 N ATOM 645 CA VAL A 40 -6.571 2.094 -0.036 1.00 0.00 C ATOM 646 C VAL A 40 -6.187 0.703 -0.527 1.00 0.00 C ATOM 647 O VAL A 40 -5.134 0.518 -1.138 1.00 0.00 O ATOM 648 CB VAL A 40 -7.279 2.852 -1.175 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.613 2.199 -1.502 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.468 4.315 -0.804 1.00 0.00 C ATOM 0 H VAL A 40 -4.616 2.833 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.254 2.002 0.809 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.651 2.805 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.099 2.748 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.447 1.168 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.251 2.213 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.970 4.835 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.074 4.386 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.495 4.773 -0.625 1.00 0.00 H new ATOM 660 N ILE A 41 -7.048 -0.272 -0.257 1.00 0.00 N ATOM 661 CA ILE A 41 -6.799 -1.647 -0.673 1.00 0.00 C ATOM 662 C ILE A 41 -8.023 -2.243 -1.361 1.00 0.00 C ATOM 663 O ILE A 41 -8.996 -2.616 -0.705 1.00 0.00 O ATOM 664 CB ILE A 41 -6.413 -2.536 0.523 1.00 0.00 C ATOM 665 CG1 ILE A 41 -5.025 -2.155 1.042 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.451 -4.004 0.126 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.478 -3.122 2.069 1.00 0.00 C ATOM 0 H ILE A 41 -7.924 -0.136 0.248 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.967 -1.618 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.136 -2.377 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.334 -2.101 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.071 -1.158 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.176 -4.620 0.982 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.457 -4.266 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.747 -4.179 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.492 -2.790 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.148 -3.158 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.399 -4.116 1.628 1.00 0.00 H new ATOM 679 N MET A 42 -7.966 -2.331 -2.686 1.00 0.00 N ATOM 680 CA MET A 42 -9.069 -2.884 -3.462 1.00 0.00 C ATOM 681 C MET A 42 -9.400 -4.301 -3.003 1.00 0.00 C ATOM 682 O MET A 42 -8.508 -5.128 -2.814 1.00 0.00 O ATOM 683 CB MET A 42 -8.722 -2.887 -4.952 1.00 0.00 C ATOM 684 CG MET A 42 -8.304 -1.525 -5.481 1.00 0.00 C ATOM 685 SD MET A 42 -9.699 -0.557 -6.088 1.00 0.00 S ATOM 686 CE MET A 42 -10.013 0.504 -4.679 1.00 0.00 C ATOM 0 H MET A 42 -7.168 -2.027 -3.244 1.00 0.00 H new ATOM 0 HA MET A 42 -9.944 -2.255 -3.301 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.916 -3.599 -5.127 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.586 -3.238 -5.517 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.800 -0.971 -4.689 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.582 -1.658 -6.286 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.083 0.698 -4.601 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.665 0.014 -3.770 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.482 1.447 -4.808 1.00 0.00 H new ATOM 696 N LYS A 43 -10.688 -4.574 -2.824 1.00 0.00 N ATOM 697 CA LYS A 43 -11.138 -5.891 -2.388 1.00 0.00 C ATOM 698 C LYS A 43 -12.281 -6.393 -3.264 1.00 0.00 C ATOM 699 O LYS A 43 -13.030 -5.602 -3.837 1.00 0.00 O ATOM 700 CB LYS A 43 -11.585 -5.841 -0.926 1.00 0.00 C ATOM 701 CG LYS A 43 -10.468 -6.125 0.063 1.00 0.00 C ATOM 702 CD LYS A 43 -10.796 -5.588 1.446 1.00 0.00 C ATOM 703 CE LYS A 43 -10.472 -4.106 1.559 1.00 0.00 C ATOM 704 NZ LYS A 43 -10.855 -3.555 2.888 1.00 0.00 N ATOM 0 H LYS A 43 -11.439 -3.900 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.301 -6.583 -2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.003 -4.856 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.385 -6.565 -0.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.297 -7.200 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.542 -5.673 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.853 -5.748 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.233 -6.143 2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.405 -3.954 1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.995 -3.559 0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.618 -2.543 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.878 -3.677 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.337 -4.060 3.635 1.00 0.00 H new ATOM 718 N ASP A 44 -12.411 -7.712 -3.361 1.00 0.00 N ATOM 719 CA ASP A 44 -13.465 -8.319 -4.165 1.00 0.00 C ATOM 720 C ASP A 44 -14.827 -7.732 -3.809 1.00 0.00 C ATOM 721 O ASP A 44 -15.022 -7.208 -2.712 1.00 0.00 O ATOM 722 CB ASP A 44 -13.481 -9.835 -3.962 1.00 0.00 C ATOM 723 CG ASP A 44 -14.492 -10.528 -4.855 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.845 -9.956 -5.907 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.930 -11.643 -4.501 1.00 0.00 O ATOM 0 H ASP A 44 -11.800 -8.381 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.259 -8.102 -5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.488 -10.236 -4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.709 -10.057 -2.919 1.00 0.00 H new ATOM 730 N LYS A 45 -15.767 -7.822 -4.743 1.00 0.00 N ATOM 731 CA LYS A 45 -17.112 -7.300 -4.530 1.00 0.00 C ATOM 732 C LYS A 45 -17.853 -8.120 -3.479 1.00 0.00 C ATOM 733 O LYS A 45 -18.666 -7.589 -2.721 1.00 0.00 O ATOM 734 CB LYS A 45 -17.897 -7.303 -5.843 1.00 0.00 C ATOM 735 CG LYS A 45 -17.763 -8.597 -6.628 1.00 0.00 C ATOM 736 CD LYS A 45 -18.813 -8.697 -7.721 1.00 0.00 C ATOM 737 CE LYS A 45 -18.619 -9.945 -8.569 1.00 0.00 C ATOM 738 NZ LYS A 45 -17.530 -9.770 -9.571 1.00 0.00 N ATOM 0 H LYS A 45 -15.622 -8.252 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.024 -6.275 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.951 -7.126 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.555 -6.474 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.769 -8.654 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.859 -9.446 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.806 -8.712 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.763 -7.813 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.385 -10.791 -7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.550 -10.184 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.428 -10.642 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.765 -8.979 -10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.636 -9.567 -9.080 1.00 0.00 H new ATOM 752 N THR A 46 -17.566 -9.418 -3.437 1.00 0.00 N ATOM 753 CA THR A 46 -18.205 -10.311 -2.479 1.00 0.00 C ATOM 754 C THR A 46 -17.218 -10.772 -1.414 1.00 0.00 C ATOM 755 O THR A 46 -17.291 -10.351 -0.259 1.00 0.00 O ATOM 756 CB THR A 46 -18.805 -11.546 -3.177 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.811 -11.141 -4.111 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.407 -12.504 -2.159 1.00 0.00 C ATOM 0 H THR A 46 -16.895 -9.874 -4.056 1.00 0.00 H new ATOM 0 HA THR A 46 -19.007 -9.745 -2.005 1.00 0.00 H new ATOM 0 HB THR A 46 -18.004 -12.061 -3.708 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.186 -11.932 -4.551 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.825 -13.368 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.632 -12.834 -1.467 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.196 -11.997 -1.604 1.00 0.00 H new ATOM 766 N THR A 47 -16.291 -11.641 -1.808 1.00 0.00 N ATOM 767 CA THR A 47 -15.288 -12.160 -0.887 1.00 0.00 C ATOM 768 C THR A 47 -14.652 -11.036 -0.077 1.00 0.00 C ATOM 769 O THR A 47 -14.136 -11.262 1.017 1.00 0.00 O ATOM 770 CB THR A 47 -14.183 -12.928 -1.635 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.763 -13.766 -2.640 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.366 -13.775 -0.671 1.00 0.00 C ATOM 0 H THR A 47 -16.215 -12.000 -2.760 1.00 0.00 H new ATOM 0 HA THR A 47 -15.802 -12.844 -0.212 1.00 0.00 H new ATOM 0 HB THR A 47 -13.521 -12.201 -2.106 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.861 -13.259 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.591 -14.308 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.902 -13.131 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.019 -14.494 -0.175 1.00 0.00 H new ATOM 780 N ASN A 48 -14.692 -9.824 -0.622 1.00 0.00 N ATOM 781 CA ASN A 48 -14.119 -8.664 0.051 1.00 0.00 C ATOM 782 C ASN A 48 -12.693 -8.953 0.513 1.00 0.00 C ATOM 783 O ASN A 48 -12.290 -8.549 1.603 1.00 0.00 O ATOM 784 CB ASN A 48 -14.983 -8.264 1.249 1.00 0.00 C ATOM 785 CG ASN A 48 -14.677 -6.863 1.740 1.00 0.00 C ATOM 786 OD1 ASN A 48 -14.311 -6.665 2.899 1.00 0.00 O ATOM 787 ND2 ASN A 48 -14.827 -5.881 0.859 1.00 0.00 N ATOM 0 H ASN A 48 -15.115 -9.620 -1.527 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.092 -7.839 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.035 -8.327 0.972 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.824 -8.973 2.061 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.637 -4.917 1.133 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.132 -6.091 -0.091 1.00 0.00 H new ATOM 794 N GLN A 49 -11.936 -9.652 -0.326 1.00 0.00 N ATOM 795 CA GLN A 49 -10.556 -9.995 -0.004 1.00 0.00 C ATOM 796 C GLN A 49 -9.585 -9.274 -0.934 1.00 0.00 C ATOM 797 O GLN A 49 -9.761 -9.276 -2.153 1.00 0.00 O ATOM 798 CB GLN A 49 -10.347 -11.507 -0.101 1.00 0.00 C ATOM 799 CG GLN A 49 -10.936 -12.279 1.068 1.00 0.00 C ATOM 800 CD GLN A 49 -10.167 -12.062 2.357 1.00 0.00 C ATOM 801 OE1 GLN A 49 -8.980 -12.378 2.446 1.00 0.00 O ATOM 802 NE2 GLN A 49 -10.840 -11.521 3.365 1.00 0.00 N ATOM 0 H GLN A 49 -12.255 -9.992 -1.233 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.358 -9.674 1.019 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.795 -11.869 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.279 -11.715 -0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.973 -11.977 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.945 -13.342 0.829 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.823 -11.274 3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.374 -11.352 4.257 1.00 0.00 H new ATOM 811 N SER A 50 -8.561 -8.659 -0.351 1.00 0.00 N ATOM 812 CA SER A 50 -7.565 -7.931 -1.128 1.00 0.00 C ATOM 813 C SER A 50 -7.297 -8.628 -2.458 1.00 0.00 C ATOM 814 O SER A 50 -6.574 -9.623 -2.515 1.00 0.00 O ATOM 815 CB SER A 50 -6.263 -7.803 -0.335 1.00 0.00 C ATOM 816 OG SER A 50 -5.179 -7.469 -1.184 1.00 0.00 O ATOM 0 H SER A 50 -8.399 -8.650 0.656 1.00 0.00 H new ATOM 0 HA SER A 50 -7.957 -6.935 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.376 -7.039 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.052 -8.742 0.177 1.00 0.00 H new ATOM 0 HG SER A 50 -4.416 -8.052 -0.985 1.00 0.00 H new ATOM 822 N ARG A 51 -7.884 -8.098 -3.526 1.00 0.00 N ATOM 823 CA ARG A 51 -7.711 -8.670 -4.856 1.00 0.00 C ATOM 824 C ARG A 51 -6.232 -8.874 -5.171 1.00 0.00 C ATOM 825 O ARG A 51 -5.843 -9.891 -5.744 1.00 0.00 O ATOM 826 CB ARG A 51 -8.348 -7.764 -5.911 1.00 0.00 C ATOM 827 CG ARG A 51 -9.793 -7.401 -5.610 1.00 0.00 C ATOM 828 CD ARG A 51 -10.505 -6.876 -6.846 1.00 0.00 C ATOM 829 NE ARG A 51 -10.377 -5.427 -6.978 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.114 -4.696 -7.806 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.028 -5.276 -8.572 1.00 0.00 N ATOM 832 NH2 ARG A 51 -10.939 -3.383 -7.870 1.00 0.00 N ATOM 0 H ARG A 51 -8.484 -7.273 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.206 -9.641 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.762 -6.849 -5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.301 -8.261 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.318 -8.278 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.823 -6.647 -4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.094 -7.358 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.561 -7.144 -6.797 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.683 -4.950 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.166 -6.286 -8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.593 -4.713 -9.207 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.237 -2.933 -7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.506 -2.823 -8.507 1.00 0.00 H new ATOM 846 N GLY A 52 -5.411 -7.898 -4.793 1.00 0.00 N ATOM 847 CA GLY A 52 -3.985 -7.989 -5.045 1.00 0.00 C ATOM 848 C GLY A 52 -3.394 -6.675 -5.515 1.00 0.00 C ATOM 849 O GLY A 52 -2.432 -6.658 -6.284 1.00 0.00 O ATOM 0 H GLY A 52 -5.709 -7.046 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.478 -8.307 -4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.800 -8.756 -5.797 1.00 0.00 H new ATOM 853 N PHE A 53 -3.971 -5.570 -5.055 1.00 0.00 N ATOM 854 CA PHE A 53 -3.497 -4.244 -5.435 1.00 0.00 C ATOM 855 C PHE A 53 -4.208 -3.161 -4.630 1.00 0.00 C ATOM 856 O PHE A 53 -5.300 -3.377 -4.105 1.00 0.00 O ATOM 857 CB PHE A 53 -3.718 -4.011 -6.931 1.00 0.00 C ATOM 858 CG PHE A 53 -5.142 -4.209 -7.365 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.669 -5.484 -7.495 1.00 0.00 C ATOM 860 CD2 PHE A 53 -5.954 -3.122 -7.643 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.979 -5.670 -7.895 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.265 -3.301 -8.043 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.778 -4.577 -8.168 1.00 0.00 C ATOM 0 H PHE A 53 -4.768 -5.566 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.430 -4.191 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.408 -2.997 -7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.077 -4.689 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.049 -6.342 -7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.558 -2.122 -7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.377 -6.669 -7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.887 -2.444 -8.257 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.802 -4.720 -8.479 1.00 0.00 H new ATOM 873 N GLY A 54 -3.578 -1.993 -4.535 1.00 0.00 N ATOM 874 CA GLY A 54 -4.164 -0.893 -3.791 1.00 0.00 C ATOM 875 C GLY A 54 -3.573 0.448 -4.179 1.00 0.00 C ATOM 876 O GLY A 54 -3.062 0.613 -5.287 1.00 0.00 O ATOM 0 H GLY A 54 -2.673 -1.790 -4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.240 -0.875 -3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.013 -1.058 -2.724 1.00 0.00 H new ATOM 880 N PHE A 55 -3.643 1.410 -3.264 1.00 0.00 N ATOM 881 CA PHE A 55 -3.112 2.745 -3.517 1.00 0.00 C ATOM 882 C PHE A 55 -2.544 3.355 -2.239 1.00 0.00 C ATOM 883 O PHE A 55 -2.925 2.973 -1.132 1.00 0.00 O ATOM 884 CB PHE A 55 -4.205 3.651 -4.087 1.00 0.00 C ATOM 885 CG PHE A 55 -4.753 3.176 -5.402 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.791 2.259 -5.445 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.230 3.647 -6.596 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.296 1.820 -6.654 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.732 3.211 -7.808 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.767 2.297 -7.837 1.00 0.00 C ATOM 0 H PHE A 55 -4.062 1.290 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.306 2.657 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.020 3.720 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.803 4.657 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.210 1.883 -4.523 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.421 4.363 -6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.104 1.104 -6.674 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.315 3.585 -8.732 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.162 1.956 -8.783 1.00 0.00 H new ATOM 900 N VAL A 56 -1.631 4.307 -2.400 1.00 0.00 N ATOM 901 CA VAL A 56 -1.010 4.972 -1.261 1.00 0.00 C ATOM 902 C VAL A 56 -0.767 6.449 -1.551 1.00 0.00 C ATOM 903 O VAL A 56 -0.118 6.801 -2.536 1.00 0.00 O ATOM 904 CB VAL A 56 0.328 4.308 -0.884 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.972 5.030 0.289 1.00 0.00 C ATOM 906 CG2 VAL A 56 0.120 2.835 -0.564 1.00 0.00 C ATOM 0 H VAL A 56 -1.305 4.635 -3.309 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.703 4.878 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 56 1.002 4.380 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.916 4.546 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.158 6.070 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.305 4.993 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.075 2.382 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.571 2.739 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.293 2.328 -1.436 1.00 0.00 H new ATOM 916 N LYS A 57 -1.293 7.310 -0.686 1.00 0.00 N ATOM 917 CA LYS A 57 -1.133 8.750 -0.847 1.00 0.00 C ATOM 918 C LYS A 57 0.043 9.263 -0.023 1.00 0.00 C ATOM 919 O LYS A 57 0.361 8.712 1.032 1.00 0.00 O ATOM 920 CB LYS A 57 -2.415 9.476 -0.432 1.00 0.00 C ATOM 921 CG LYS A 57 -2.640 10.784 -1.170 1.00 0.00 C ATOM 922 CD LYS A 57 -3.864 11.516 -0.647 1.00 0.00 C ATOM 923 CE LYS A 57 -4.110 12.808 -1.412 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.620 12.549 -2.788 1.00 0.00 N ATOM 0 H LYS A 57 -1.834 7.035 0.134 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.932 8.952 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.267 8.819 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.380 9.674 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.761 11.420 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.761 10.586 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.738 10.871 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.731 11.738 0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.828 13.421 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.183 13.378 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.871 13.451 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.883 12.074 -3.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.462 11.941 -2.737 1.00 0.00 H new ATOM 938 N PHE A 58 0.685 10.320 -0.509 1.00 0.00 N ATOM 939 CA PHE A 58 1.826 10.907 0.184 1.00 0.00 C ATOM 940 C PHE A 58 1.672 12.420 0.301 1.00 0.00 C ATOM 941 O PHE A 58 1.407 13.107 -0.686 1.00 0.00 O ATOM 942 CB PHE A 58 3.125 10.571 -0.553 1.00 0.00 C ATOM 943 CG PHE A 58 3.584 9.156 -0.344 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.356 8.820 0.756 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.242 8.162 -1.247 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.781 7.519 0.950 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.663 6.859 -1.058 1.00 0.00 C ATOM 948 CZ PHE A 58 4.433 6.537 0.042 1.00 0.00 C ATOM 0 H PHE A 58 0.435 10.788 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 58 1.866 10.485 1.188 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.984 10.745 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.909 11.252 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.629 9.583 1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.639 8.408 -2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.384 7.270 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.390 6.094 -1.770 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.763 5.520 0.193 1.00 0.00 H new ATOM 958 N LYS A 59 1.838 12.933 1.515 1.00 0.00 N ATOM 959 CA LYS A 59 1.718 14.365 1.764 1.00 0.00 C ATOM 960 C LYS A 59 2.438 15.167 0.685 1.00 0.00 C ATOM 961 O LYS A 59 2.028 16.277 0.345 1.00 0.00 O ATOM 962 CB LYS A 59 2.289 14.714 3.140 1.00 0.00 C ATOM 963 CG LYS A 59 1.789 16.039 3.689 1.00 0.00 C ATOM 964 CD LYS A 59 1.858 16.077 5.206 1.00 0.00 C ATOM 965 CE LYS A 59 2.014 17.499 5.722 1.00 0.00 C ATOM 966 NZ LYS A 59 0.698 18.176 5.885 1.00 0.00 N ATOM 0 H LYS A 59 2.056 12.378 2.343 1.00 0.00 H new ATOM 0 HA LYS A 59 0.660 14.625 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.034 13.920 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.377 14.745 3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.385 16.853 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.761 16.202 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.953 15.635 5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.697 15.471 5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.535 17.483 6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.634 18.070 5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.846 19.143 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.211 18.214 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.116 17.645 6.564 1.00 0.00 H new ATOM 980 N ASP A 60 3.513 14.598 0.149 1.00 0.00 N ATOM 981 CA ASP A 60 4.288 15.259 -0.894 1.00 0.00 C ATOM 982 C ASP A 60 4.453 14.350 -2.108 1.00 0.00 C ATOM 983 O ASP A 60 4.651 13.141 -1.986 1.00 0.00 O ATOM 984 CB ASP A 60 5.661 15.668 -0.357 1.00 0.00 C ATOM 985 CG ASP A 60 6.212 16.897 -1.052 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.613 17.982 -0.902 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.244 16.774 -1.744 1.00 0.00 O ATOM 0 H ASP A 60 3.867 13.681 0.420 1.00 0.00 H new ATOM 0 HA ASP A 60 3.746 16.153 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.586 15.862 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.358 14.840 -0.483 1.00 0.00 H new ATOM 992 N PRO A 61 4.370 14.943 -3.307 1.00 0.00 N ATOM 993 CA PRO A 61 4.506 14.205 -4.567 1.00 0.00 C ATOM 994 C PRO A 61 5.931 13.715 -4.800 1.00 0.00 C ATOM 995 O PRO A 61 6.217 13.063 -5.803 1.00 0.00 O ATOM 996 CB PRO A 61 4.116 15.238 -5.627 1.00 0.00 C ATOM 997 CG PRO A 61 4.405 16.557 -4.996 1.00 0.00 C ATOM 998 CD PRO A 61 4.136 16.381 -3.527 1.00 0.00 C ATOM 0 HA PRO A 61 3.890 13.306 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.692 15.103 -6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.064 15.150 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.439 16.855 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.773 17.338 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.802 16.994 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.116 16.666 -3.268 1.00 0.00 H new ATOM 1006 N ASN A 62 6.821 14.032 -3.865 1.00 0.00 N ATOM 1007 CA ASN A 62 8.217 13.623 -3.969 1.00 0.00 C ATOM 1008 C ASN A 62 8.419 12.225 -3.392 1.00 0.00 C ATOM 1009 O ASN A 62 9.270 11.467 -3.858 1.00 0.00 O ATOM 1010 CB ASN A 62 9.119 14.622 -3.242 1.00 0.00 C ATOM 1011 CG ASN A 62 10.564 14.533 -3.694 1.00 0.00 C ATOM 1012 OD1 ASN A 62 10.922 15.022 -4.765 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.402 13.906 -2.876 1.00 0.00 N ATOM 0 H ASN A 62 6.600 14.571 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 62 8.486 13.603 -5.025 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.749 15.633 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.065 14.441 -2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.387 13.815 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.061 13.516 -1.998 1.00 0.00 H new ATOM 1020 N CYS A 63 7.631 11.892 -2.376 1.00 0.00 N ATOM 1021 CA CYS A 63 7.723 10.585 -1.734 1.00 0.00 C ATOM 1022 C CYS A 63 7.537 9.465 -2.752 1.00 0.00 C ATOM 1023 O CYS A 63 8.175 8.416 -2.661 1.00 0.00 O ATOM 1024 CB CYS A 63 6.676 10.463 -0.627 1.00 0.00 C ATOM 1025 SG CYS A 63 6.855 11.682 0.697 1.00 0.00 S ATOM 0 H CYS A 63 6.922 12.508 -1.979 1.00 0.00 H new ATOM 0 HA CYS A 63 8.717 10.492 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.684 10.564 -1.067 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.733 9.463 -0.196 1.00 0.00 H new ATOM 0 HG CYS A 63 5.810 11.640 1.470 1.00 0.00 H new ATOM 1031 N VAL A 64 6.657 9.694 -3.722 1.00 0.00 N ATOM 1032 CA VAL A 64 6.386 8.704 -4.758 1.00 0.00 C ATOM 1033 C VAL A 64 7.677 8.226 -5.412 1.00 0.00 C ATOM 1034 O VAL A 64 7.966 7.030 -5.438 1.00 0.00 O ATOM 1035 CB VAL A 64 5.452 9.270 -5.844 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.231 8.244 -6.945 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.127 9.703 -5.234 1.00 0.00 C ATOM 0 H VAL A 64 6.120 10.556 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 64 5.896 7.861 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 64 5.926 10.146 -6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.569 8.661 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.187 7.987 -7.400 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.778 7.348 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.479 10.100 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.645 8.845 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.306 10.474 -4.484 1.00 0.00 H new ATOM 1047 N GLY A 65 8.451 9.169 -5.940 1.00 0.00 N ATOM 1048 CA GLY A 65 9.704 8.824 -6.588 1.00 0.00 C ATOM 1049 C GLY A 65 10.616 8.013 -5.690 1.00 0.00 C ATOM 1050 O GLY A 65 11.041 6.915 -6.051 1.00 0.00 O ATOM 0 H GLY A 65 8.233 10.165 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.496 8.258 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.216 9.737 -6.892 1.00 0.00 H new ATOM 1054 N THR A 66 10.921 8.554 -4.514 1.00 0.00 N ATOM 1055 CA THR A 66 11.792 7.875 -3.563 1.00 0.00 C ATOM 1056 C THR A 66 11.473 6.386 -3.492 1.00 0.00 C ATOM 1057 O THR A 66 12.375 5.548 -3.472 1.00 0.00 O ATOM 1058 CB THR A 66 11.667 8.484 -2.153 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.278 9.778 -2.123 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.321 7.584 -1.116 1.00 0.00 C ATOM 0 H THR A 66 10.577 9.461 -4.198 1.00 0.00 H new ATOM 0 HA THR A 66 12.814 8.008 -3.919 1.00 0.00 H new ATOM 0 HB THR A 66 10.608 8.578 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.193 10.159 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.220 8.034 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.834 6.609 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.378 7.463 -1.354 1.00 0.00 H new ATOM 1068 N VAL A 67 10.184 6.063 -3.453 1.00 0.00 N ATOM 1069 CA VAL A 67 9.746 4.674 -3.386 1.00 0.00 C ATOM 1070 C VAL A 67 9.942 3.970 -4.724 1.00 0.00 C ATOM 1071 O VAL A 67 10.385 2.822 -4.776 1.00 0.00 O ATOM 1072 CB VAL A 67 8.265 4.572 -2.976 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.808 3.121 -2.982 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.046 5.202 -1.609 1.00 0.00 C ATOM 0 H VAL A 67 9.425 6.744 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 67 10.359 4.185 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 67 7.666 5.120 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.759 3.069 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.927 2.706 -3.983 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.410 2.547 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.994 5.121 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.655 4.684 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.332 6.253 -1.643 1.00 0.00 H new ATOM 1084 N LEU A 68 9.609 4.666 -5.806 1.00 0.00 N ATOM 1085 CA LEU A 68 9.749 4.109 -7.147 1.00 0.00 C ATOM 1086 C LEU A 68 11.184 3.663 -7.405 1.00 0.00 C ATOM 1087 O LEU A 68 11.422 2.643 -8.050 1.00 0.00 O ATOM 1088 CB LEU A 68 9.326 5.139 -8.195 1.00 0.00 C ATOM 1089 CG LEU A 68 7.834 5.470 -8.248 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.579 6.636 -9.191 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.032 4.250 -8.677 1.00 0.00 C ATOM 0 H LEU A 68 9.240 5.617 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 68 9.099 3.237 -7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.876 6.062 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.632 4.776 -9.176 1.00 0.00 H new ATOM 0 HG LEU A 68 7.510 5.760 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.512 6.857 -9.216 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.123 7.513 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.919 6.374 -10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.972 4.504 -8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.359 3.929 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.190 3.441 -7.963 1.00 0.00 H new ATOM 1103 N ALA A 69 12.139 4.434 -6.894 1.00 0.00 N ATOM 1104 CA ALA A 69 13.551 4.117 -7.065 1.00 0.00 C ATOM 1105 C ALA A 69 13.975 2.983 -6.138 1.00 0.00 C ATOM 1106 O ALA A 69 14.846 2.183 -6.478 1.00 0.00 O ATOM 1107 CB ALA A 69 14.404 5.352 -6.816 1.00 0.00 C ATOM 0 H ALA A 69 11.960 5.283 -6.358 1.00 0.00 H new ATOM 0 HA ALA A 69 13.702 3.787 -8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.456 5.100 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.127 6.134 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.240 5.708 -5.799 1.00 0.00 H new ATOM 1113 N SER A 70 13.354 2.921 -4.964 1.00 0.00 N ATOM 1114 CA SER A 70 13.671 1.888 -3.985 1.00 0.00 C ATOM 1115 C SER A 70 13.278 0.508 -4.505 1.00 0.00 C ATOM 1116 O SER A 70 13.747 -0.513 -4.002 1.00 0.00 O ATOM 1117 CB SER A 70 12.955 2.171 -2.663 1.00 0.00 C ATOM 1118 OG SER A 70 13.736 3.009 -1.829 1.00 0.00 O ATOM 0 H SER A 70 12.629 3.574 -4.668 1.00 0.00 H new ATOM 0 HA SER A 70 14.748 1.900 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.993 2.644 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.749 1.232 -2.149 1.00 0.00 H new ATOM 0 HG SER A 70 13.160 3.432 -1.159 1.00 0.00 H new ATOM 1124 N ARG A 71 12.413 0.488 -5.514 1.00 0.00 N ATOM 1125 CA ARG A 71 11.955 -0.765 -6.101 1.00 0.00 C ATOM 1126 C ARG A 71 13.133 -1.685 -6.407 1.00 0.00 C ATOM 1127 O ARG A 71 14.274 -1.246 -6.551 1.00 0.00 O ATOM 1128 CB ARG A 71 11.161 -0.493 -7.380 1.00 0.00 C ATOM 1129 CG ARG A 71 9.694 -0.182 -7.132 1.00 0.00 C ATOM 1130 CD ARG A 71 9.027 0.387 -8.375 1.00 0.00 C ATOM 1131 NE ARG A 71 9.123 -0.524 -9.513 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.950 -0.146 -10.774 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.675 1.120 -11.058 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.053 -1.034 -11.755 1.00 0.00 N ATOM 0 H ARG A 71 12.016 1.325 -5.941 1.00 0.00 H new ATOM 0 HA ARG A 71 11.308 -1.261 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.617 0.344 -7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.234 -1.362 -8.034 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.176 -1.090 -6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.606 0.530 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.978 0.592 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.492 1.339 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 71 9.335 -1.505 -9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.596 1.806 -10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.543 1.408 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.265 -2.008 -11.541 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.920 -0.742 -12.723 1.00 0.00 H new ATOM 1148 N PRO A 72 12.852 -2.993 -6.509 1.00 0.00 N ATOM 1149 CA PRO A 72 11.498 -3.527 -6.338 1.00 0.00 C ATOM 1150 C PRO A 72 11.015 -3.435 -4.895 1.00 0.00 C ATOM 1151 O PRO A 72 11.719 -2.920 -4.026 1.00 0.00 O ATOM 1152 CB PRO A 72 11.638 -4.991 -6.763 1.00 0.00 C ATOM 1153 CG PRO A 72 13.072 -5.318 -6.528 1.00 0.00 C ATOM 1154 CD PRO A 72 13.835 -4.051 -6.796 1.00 0.00 C ATOM 0 HA PRO A 72 10.764 -2.968 -6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.984 -5.637 -6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.367 -5.127 -7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.232 -5.661 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.403 -6.120 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.713 -3.968 -6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.186 -4.004 -7.827 1.00 0.00 H new ATOM 1162 N HIS A 73 9.811 -3.939 -4.645 1.00 0.00 N ATOM 1163 CA HIS A 73 9.235 -3.914 -3.305 1.00 0.00 C ATOM 1164 C HIS A 73 8.558 -5.243 -2.980 1.00 0.00 C ATOM 1165 O HIS A 73 7.822 -5.794 -3.800 1.00 0.00 O ATOM 1166 CB HIS A 73 8.227 -2.771 -3.181 1.00 0.00 C ATOM 1167 CG HIS A 73 8.854 -1.455 -2.840 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.927 -0.968 -1.552 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.440 -0.522 -3.627 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.530 0.208 -1.562 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.851 0.501 -2.809 1.00 0.00 N ATOM 0 H HIS A 73 9.215 -4.370 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 73 10.043 -3.754 -2.592 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.684 -2.673 -4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.495 -3.025 -2.415 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.561 -0.573 -4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.727 0.825 -0.697 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.327 1.350 -3.115 1.00 0.00 H new ATOM 1180 N THR A 74 8.811 -5.752 -1.779 1.00 0.00 N ATOM 1181 CA THR A 74 8.228 -7.016 -1.347 1.00 0.00 C ATOM 1182 C THR A 74 7.690 -6.915 0.076 1.00 0.00 C ATOM 1183 O THR A 74 8.447 -6.993 1.044 1.00 0.00 O ATOM 1184 CB THR A 74 9.256 -8.161 -1.414 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.818 -8.239 -2.729 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.610 -9.491 -1.054 1.00 0.00 C ATOM 0 H THR A 74 9.416 -5.308 -1.088 1.00 0.00 H new ATOM 0 HA THR A 74 7.406 -7.235 -2.029 1.00 0.00 H new ATOM 0 HB THR A 74 10.046 -7.952 -0.693 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.472 -8.968 -2.763 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.356 -10.284 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.209 -9.439 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.802 -9.704 -1.754 1.00 0.00 H new ATOM 1194 N LEU A 75 6.378 -6.742 0.196 1.00 0.00 N ATOM 1195 CA LEU A 75 5.737 -6.632 1.502 1.00 0.00 C ATOM 1196 C LEU A 75 4.985 -7.912 1.849 1.00 0.00 C ATOM 1197 O LEU A 75 4.286 -8.480 1.010 1.00 0.00 O ATOM 1198 CB LEU A 75 4.777 -5.441 1.521 1.00 0.00 C ATOM 1199 CG LEU A 75 3.793 -5.391 2.690 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.526 -5.110 3.993 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.722 -4.340 2.441 1.00 0.00 C ATOM 0 H LEU A 75 5.738 -6.675 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 75 6.515 -6.476 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.367 -4.524 1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.207 -5.445 0.592 1.00 0.00 H new ATOM 0 HG LEU A 75 3.307 -6.363 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.810 -5.078 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.255 -5.899 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.040 -4.151 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.031 -4.319 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.191 -3.362 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.176 -4.585 1.530 1.00 0.00 H new ATOM 1213 N ASP A 76 5.131 -8.359 3.092 1.00 0.00 N ATOM 1214 CA ASP A 76 4.462 -9.571 3.552 1.00 0.00 C ATOM 1215 C ASP A 76 4.856 -10.768 2.693 1.00 0.00 C ATOM 1216 O ASP A 76 3.998 -11.483 2.176 1.00 0.00 O ATOM 1217 CB ASP A 76 2.945 -9.383 3.523 1.00 0.00 C ATOM 1218 CG ASP A 76 2.241 -10.195 4.593 1.00 0.00 C ATOM 1219 OD1 ASP A 76 2.283 -9.785 5.772 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.650 -11.241 4.252 1.00 0.00 O ATOM 0 H ASP A 76 5.706 -7.901 3.799 1.00 0.00 H new ATOM 0 HA ASP A 76 4.777 -9.764 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.710 -8.327 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.565 -9.671 2.543 1.00 0.00 H new ATOM 1225 N GLY A 77 6.160 -10.980 2.543 1.00 0.00 N ATOM 1226 CA GLY A 77 6.644 -12.091 1.745 1.00 0.00 C ATOM 1227 C GLY A 77 5.938 -12.196 0.408 1.00 0.00 C ATOM 1228 O GLY A 77 5.707 -13.295 -0.096 1.00 0.00 O ATOM 0 H GLY A 77 6.890 -10.402 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.715 -11.975 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.506 -13.019 2.299 1.00 0.00 H new ATOM 1232 N ARG A 78 5.591 -11.049 -0.168 1.00 0.00 N ATOM 1233 CA ARG A 78 4.904 -11.016 -1.453 1.00 0.00 C ATOM 1234 C ARG A 78 5.597 -10.055 -2.416 1.00 0.00 C ATOM 1235 O ARG A 78 6.100 -9.009 -2.009 1.00 0.00 O ATOM 1236 CB ARG A 78 3.444 -10.601 -1.264 1.00 0.00 C ATOM 1237 CG ARG A 78 2.498 -11.775 -1.070 1.00 0.00 C ATOM 1238 CD ARG A 78 1.813 -12.160 -2.372 1.00 0.00 C ATOM 1239 NE ARG A 78 1.471 -13.579 -2.412 1.00 0.00 N ATOM 1240 CZ ARG A 78 0.883 -14.165 -3.449 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.575 -13.457 -4.527 1.00 0.00 N ATOM 1242 NH2 ARG A 78 0.603 -15.461 -3.409 1.00 0.00 N ATOM 0 H ARG A 78 5.775 -10.130 0.236 1.00 0.00 H new ATOM 0 HA ARG A 78 4.937 -12.018 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.372 -9.940 -0.400 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.123 -10.026 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.052 -12.630 -0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.746 -11.518 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.908 -11.565 -2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.467 -11.921 -3.210 1.00 0.00 H new ATOM 0 HE ARG A 78 1.696 -14.152 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.790 -12.460 -4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.124 -13.909 -5.322 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.839 -16.008 -2.581 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.151 -15.910 -4.206 1.00 0.00 H new ATOM 1256 N ASN A 79 5.617 -10.419 -3.694 1.00 0.00 N ATOM 1257 CA ASN A 79 6.249 -9.590 -4.714 1.00 0.00 C ATOM 1258 C ASN A 79 5.307 -8.481 -5.173 1.00 0.00 C ATOM 1259 O ASN A 79 4.360 -8.726 -5.921 1.00 0.00 O ATOM 1260 CB ASN A 79 6.667 -10.447 -5.910 1.00 0.00 C ATOM 1261 CG ASN A 79 7.891 -9.896 -6.617 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.819 -9.479 -7.772 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.023 -9.894 -5.923 1.00 0.00 N ATOM 0 H ASN A 79 5.203 -11.282 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 79 7.136 -9.132 -4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.873 -11.462 -5.572 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.839 -10.508 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.880 -9.537 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.036 -10.250 -4.967 1.00 0.00 H new ATOM 1270 N ILE A 80 5.575 -7.260 -4.721 1.00 0.00 N ATOM 1271 CA ILE A 80 4.753 -6.113 -5.086 1.00 0.00 C ATOM 1272 C ILE A 80 5.562 -5.084 -5.868 1.00 0.00 C ATOM 1273 O ILE A 80 6.793 -5.107 -5.855 1.00 0.00 O ATOM 1274 CB ILE A 80 4.145 -5.437 -3.843 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.218 -4.649 -3.089 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.506 -6.476 -2.934 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.655 -3.686 -2.067 1.00 0.00 C ATOM 0 H ILE A 80 6.355 -7.040 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 80 3.946 -6.490 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 80 3.371 -4.742 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.886 -5.349 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.820 -4.093 -3.807 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.081 -5.983 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.717 -6.998 -3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.262 -7.193 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.473 -3.162 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.010 -2.963 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.076 -4.238 -1.327 1.00 0.00 H new ATOM 1289 N ASP A 81 4.863 -4.180 -6.545 1.00 0.00 N ATOM 1290 CA ASP A 81 5.516 -3.139 -7.330 1.00 0.00 C ATOM 1291 C ASP A 81 4.628 -1.903 -7.440 1.00 0.00 C ATOM 1292 O ASP A 81 3.577 -1.919 -8.082 1.00 0.00 O ATOM 1293 CB ASP A 81 5.858 -3.662 -8.726 1.00 0.00 C ATOM 1294 CG ASP A 81 6.893 -2.805 -9.428 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.975 -2.583 -8.843 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.622 -2.357 -10.561 1.00 0.00 O ATOM 0 H ASP A 81 3.844 -4.147 -6.566 1.00 0.00 H new ATOM 0 HA ASP A 81 6.437 -2.858 -6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.230 -4.684 -8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.951 -3.698 -9.329 1.00 0.00 H new ATOM 1301 N PRO A 82 5.057 -0.807 -6.798 1.00 0.00 N ATOM 1302 CA PRO A 82 4.315 0.458 -6.808 1.00 0.00 C ATOM 1303 C PRO A 82 4.336 1.131 -8.176 1.00 0.00 C ATOM 1304 O PRO A 82 5.105 0.747 -9.057 1.00 0.00 O ATOM 1305 CB PRO A 82 5.059 1.313 -5.779 1.00 0.00 C ATOM 1306 CG PRO A 82 6.441 0.757 -5.752 1.00 0.00 C ATOM 1307 CD PRO A 82 6.300 -0.717 -6.013 1.00 0.00 C ATOM 0 HA PRO A 82 3.259 0.314 -6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.061 2.365 -6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.588 1.251 -4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.066 1.229 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.916 0.939 -4.788 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.153 -1.111 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.231 -1.285 -5.085 1.00 0.00 H new ATOM 1315 N LYS A 83 3.487 2.139 -8.347 1.00 0.00 N ATOM 1316 CA LYS A 83 3.409 2.868 -9.607 1.00 0.00 C ATOM 1317 C LYS A 83 3.070 4.335 -9.366 1.00 0.00 C ATOM 1318 O LYS A 83 2.325 4.683 -8.450 1.00 0.00 O ATOM 1319 CB LYS A 83 2.358 2.234 -10.522 1.00 0.00 C ATOM 1320 CG LYS A 83 2.732 0.844 -11.007 1.00 0.00 C ATOM 1321 CD LYS A 83 2.137 0.552 -12.374 1.00 0.00 C ATOM 1322 CE LYS A 83 0.759 -0.082 -12.258 1.00 0.00 C ATOM 1323 NZ LYS A 83 0.836 -1.568 -12.200 1.00 0.00 N ATOM 0 H LYS A 83 2.843 2.470 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 83 4.384 2.813 -10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.409 2.180 -9.988 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.202 2.881 -11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.817 0.754 -11.055 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.382 0.101 -10.290 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.066 1.477 -12.946 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.800 -0.114 -12.926 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.262 0.291 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.149 0.217 -13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.049 -1.946 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.978 -1.946 -13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.633 -1.851 -11.594 1.00 0.00 H new ATOM 1337 N PRO A 84 3.628 5.218 -10.208 1.00 0.00 N ATOM 1338 CA PRO A 84 3.397 6.662 -10.108 1.00 0.00 C ATOM 1339 C PRO A 84 1.973 7.050 -10.489 1.00 0.00 C ATOM 1340 O PRO A 84 1.571 8.204 -10.335 1.00 0.00 O ATOM 1341 CB PRO A 84 4.398 7.251 -11.105 1.00 0.00 C ATOM 1342 CG PRO A 84 4.634 6.161 -12.093 1.00 0.00 C ATOM 1343 CD PRO A 84 4.526 4.874 -11.323 1.00 0.00 C ATOM 0 HA PRO A 84 3.526 7.026 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.998 8.143 -11.587 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.324 7.544 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.899 6.197 -12.897 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.617 6.258 -12.554 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.116 4.072 -11.937 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.499 4.536 -10.966 1.00 0.00 H new ATOM 1351 N CYS A 85 1.214 6.080 -10.987 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.167 6.320 -11.392 1.00 0.00 C ATOM 1353 C CYS A 85 -0.231 7.337 -12.527 1.00 0.00 C ATOM 1354 O CYS A 85 -1.026 8.277 -12.489 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.990 6.815 -10.201 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.481 5.509 -9.051 1.00 0.00 S ATOM 0 H CYS A 85 1.531 5.120 -11.120 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.585 5.378 -11.748 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.412 7.563 -9.659 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.886 7.312 -10.573 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.610 5.827 -8.489 1.00 0.00 H new ATOM 1362 N THR A 86 0.611 7.143 -13.537 1.00 0.00 N ATOM 1363 CA THR A 86 0.652 8.043 -14.682 1.00 0.00 C ATOM 1364 C THR A 86 0.743 7.265 -15.990 1.00 0.00 C ATOM 1365 O THR A 86 1.239 6.140 -16.038 1.00 0.00 O ATOM 1366 CB THR A 86 1.844 9.014 -14.591 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.054 8.284 -14.359 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.634 10.026 -13.474 1.00 0.00 C ATOM 0 H THR A 86 1.274 6.370 -13.585 1.00 0.00 H new ATOM 0 HA THR A 86 -0.275 8.616 -14.667 1.00 0.00 H new ATOM 0 HB THR A 86 1.920 9.551 -15.537 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.807 8.908 -14.304 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.489 10.701 -13.429 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.728 10.600 -13.669 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.535 9.503 -12.523 1.00 0.00 H new ATOM 1376 N PRO A 87 0.254 7.878 -17.079 1.00 0.00 N ATOM 1377 CA PRO A 87 0.271 7.261 -18.408 1.00 0.00 C ATOM 1378 C PRO A 87 1.680 7.154 -18.981 1.00 0.00 C ATOM 1379 O PRO A 87 2.574 7.911 -18.600 1.00 0.00 O ATOM 1380 CB PRO A 87 -0.579 8.214 -19.253 1.00 0.00 C ATOM 1381 CG PRO A 87 -0.471 9.530 -18.562 1.00 0.00 C ATOM 1382 CD PRO A 87 -0.352 9.220 -17.096 1.00 0.00 C ATOM 0 HA PRO A 87 -0.105 6.238 -18.386 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.209 8.273 -20.277 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.615 7.879 -19.307 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.398 10.086 -18.915 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.347 10.148 -18.760 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.273 9.949 -16.580 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.324 9.228 -16.603 1.00 0.00 H new ATOM 1390 N ARG A 88 1.872 6.212 -19.898 1.00 0.00 N ATOM 1391 CA ARG A 88 3.173 6.007 -20.522 1.00 0.00 C ATOM 1392 C ARG A 88 3.758 7.330 -21.007 1.00 0.00 C ATOM 1393 O ARG A 88 4.975 7.483 -21.107 1.00 0.00 O ATOM 1394 CB ARG A 88 3.053 5.031 -21.694 1.00 0.00 C ATOM 1395 CG ARG A 88 2.560 5.678 -22.978 1.00 0.00 C ATOM 1396 CD ARG A 88 1.071 5.981 -22.914 1.00 0.00 C ATOM 1397 NE ARG A 88 0.594 6.639 -24.127 1.00 0.00 N ATOM 1398 CZ ARG A 88 -0.612 7.183 -24.242 1.00 0.00 C ATOM 1399 NH1 ARG A 88 -1.458 7.149 -23.222 1.00 0.00 N ATOM 1400 NH2 ARG A 88 -0.974 7.765 -25.378 1.00 0.00 N ATOM 0 H ARG A 88 1.143 5.578 -20.225 1.00 0.00 H new ATOM 0 HA ARG A 88 3.844 5.585 -19.774 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.026 4.575 -21.877 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.371 4.227 -21.418 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.113 6.600 -23.157 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.762 5.017 -23.821 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.518 5.054 -22.763 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.867 6.617 -22.053 1.00 0.00 H new ATOM 0 HE ARG A 88 1.221 6.683 -24.930 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.183 6.704 -22.346 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.384 7.568 -23.313 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.326 7.795 -26.165 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.901 8.182 -25.465 1.00 0.00 H new ATOM 1414 N GLY A 89 2.882 8.284 -21.307 1.00 0.00 N ATOM 1415 CA GLY A 89 3.330 9.582 -21.778 1.00 0.00 C ATOM 1416 C GLY A 89 4.296 10.246 -20.817 1.00 0.00 C ATOM 1417 O GLY A 89 3.893 11.058 -19.985 1.00 0.00 O ATOM 0 H GLY A 89 1.870 8.181 -21.232 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.811 9.466 -22.749 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.466 10.230 -21.925 1.00 0.00 H new ATOM 1421 N MET A 90 5.574 9.899 -20.930 1.00 0.00 N ATOM 1422 CA MET A 90 6.599 10.467 -20.063 1.00 0.00 C ATOM 1423 C MET A 90 6.831 11.939 -20.388 1.00 0.00 C ATOM 1424 O MET A 90 7.770 12.285 -21.105 1.00 0.00 O ATOM 1425 CB MET A 90 7.908 9.688 -20.208 1.00 0.00 C ATOM 1426 CG MET A 90 7.887 8.331 -19.524 1.00 0.00 C ATOM 1427 SD MET A 90 9.533 7.760 -19.061 1.00 0.00 S ATOM 1428 CE MET A 90 9.346 7.590 -17.288 1.00 0.00 C ATOM 0 H MET A 90 5.924 9.227 -21.613 1.00 0.00 H new ATOM 0 HA MET A 90 6.251 10.391 -19.033 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.123 9.548 -21.268 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.722 10.282 -19.793 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.262 8.388 -18.632 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.427 7.600 -20.189 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.284 7.243 -16.855 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.082 8.555 -16.856 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.558 6.868 -17.073 1.00 0.00 H new ATOM 1438 N GLN A 91 5.970 12.801 -19.857 1.00 0.00 N ATOM 1439 CA GLN A 91 6.082 14.235 -20.093 1.00 0.00 C ATOM 1440 C GLN A 91 5.747 15.022 -18.830 1.00 0.00 C ATOM 1441 O GLN A 91 4.887 14.635 -18.038 1.00 0.00 O ATOM 1442 CB GLN A 91 5.155 14.660 -21.234 1.00 0.00 C ATOM 1443 CG GLN A 91 5.492 14.009 -22.565 1.00 0.00 C ATOM 1444 CD GLN A 91 4.958 14.791 -23.749 1.00 0.00 C ATOM 1445 OE1 GLN A 91 4.571 15.953 -23.617 1.00 0.00 O ATOM 1446 NE2 GLN A 91 4.934 14.158 -24.916 1.00 0.00 N ATOM 0 H GLN A 91 5.188 12.531 -19.261 1.00 0.00 H new ATOM 0 HA GLN A 91 7.113 14.452 -20.372 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.127 14.413 -20.968 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.203 15.743 -21.346 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.574 13.914 -22.655 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.081 13.000 -22.586 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.264 13.195 -24.981 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.585 14.635 -25.748 1.00 0.00 H new ATOM 1455 N PRO A 92 6.441 16.153 -18.635 1.00 0.00 N ATOM 1456 CA PRO A 92 6.234 17.018 -17.470 1.00 0.00 C ATOM 1457 C PRO A 92 4.889 17.735 -17.512 1.00 0.00 C ATOM 1458 O PRO A 92 4.273 17.979 -16.475 1.00 0.00 O ATOM 1459 CB PRO A 92 7.381 18.027 -17.569 1.00 0.00 C ATOM 1460 CG PRO A 92 7.730 18.064 -19.017 1.00 0.00 C ATOM 1461 CD PRO A 92 7.481 16.675 -19.538 1.00 0.00 C ATOM 0 HA PRO A 92 6.225 16.452 -16.539 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.075 19.010 -17.210 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.233 17.718 -16.964 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.120 18.795 -19.547 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.771 18.354 -19.160 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.143 16.689 -20.574 1.00 0.00 H new ATOM 0 HD3 PRO A 92 8.384 16.066 -19.505 1.00 0.00 H new ATOM 1469 N SER A 93 4.439 18.070 -18.717 1.00 0.00 N ATOM 1470 CA SER A 93 3.168 18.762 -18.893 1.00 0.00 C ATOM 1471 C SER A 93 3.041 19.923 -17.911 1.00 0.00 C ATOM 1472 O SER A 93 1.981 20.143 -17.326 1.00 0.00 O ATOM 1473 CB SER A 93 2.003 17.789 -18.704 1.00 0.00 C ATOM 1474 OG SER A 93 0.799 18.329 -19.222 1.00 0.00 O ATOM 0 H SER A 93 4.936 17.873 -19.586 1.00 0.00 H new ATOM 0 HA SER A 93 3.137 19.162 -19.907 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.227 16.847 -19.204 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.879 17.566 -17.644 1.00 0.00 H new ATOM 0 HG SER A 93 0.599 19.176 -18.771 1.00 0.00 H new ATOM 1480 N GLY A 94 4.131 20.663 -17.734 1.00 0.00 N ATOM 1481 CA GLY A 94 4.122 21.792 -16.822 1.00 0.00 C ATOM 1482 C GLY A 94 4.089 21.363 -15.369 1.00 0.00 C ATOM 1483 O GLY A 94 3.026 21.164 -14.782 1.00 0.00 O ATOM 0 H GLY A 94 5.021 20.501 -18.206 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.007 22.404 -16.997 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.255 22.418 -17.033 1.00 0.00 H new ATOM 1487 N PRO A 95 5.278 21.213 -14.766 1.00 0.00 N ATOM 1488 CA PRO A 95 5.408 20.802 -13.365 1.00 0.00 C ATOM 1489 C PRO A 95 4.944 21.885 -12.397 1.00 0.00 C ATOM 1490 O PRO A 95 5.149 23.074 -12.638 1.00 0.00 O ATOM 1491 CB PRO A 95 6.910 20.551 -13.207 1.00 0.00 C ATOM 1492 CG PRO A 95 7.548 21.403 -14.250 1.00 0.00 C ATOM 1493 CD PRO A 95 6.586 21.433 -15.405 1.00 0.00 C ATOM 0 HA PRO A 95 4.790 19.934 -13.136 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.254 20.823 -12.209 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.153 19.498 -13.352 1.00 0.00 H new ATOM 0 HG2 PRO A 95 7.735 22.408 -13.872 1.00 0.00 H new ATOM 0 HG3 PRO A 95 8.511 20.992 -14.554 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.620 22.387 -15.932 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.812 20.657 -16.136 1.00 0.00 H new ATOM 1501 N SER A 96 4.318 21.465 -11.302 1.00 0.00 N ATOM 1502 CA SER A 96 3.822 22.400 -10.300 1.00 0.00 C ATOM 1503 C SER A 96 4.965 22.932 -9.440 1.00 0.00 C ATOM 1504 O SER A 96 5.775 22.164 -8.921 1.00 0.00 O ATOM 1505 CB SER A 96 2.775 21.723 -9.414 1.00 0.00 C ATOM 1506 OG SER A 96 1.567 21.510 -10.124 1.00 0.00 O ATOM 0 H SER A 96 4.143 20.484 -11.087 1.00 0.00 H new ATOM 0 HA SER A 96 3.360 23.239 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.161 20.770 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 96 2.581 22.341 -8.537 1.00 0.00 H new ATOM 0 HG SER A 96 0.915 21.075 -9.536 1.00 0.00 H new ATOM 1512 N SER A 97 5.023 24.252 -9.293 1.00 0.00 N ATOM 1513 CA SER A 97 6.068 24.888 -8.500 1.00 0.00 C ATOM 1514 C SER A 97 5.475 25.582 -7.277 1.00 0.00 C ATOM 1515 O SER A 97 5.861 25.302 -6.143 1.00 0.00 O ATOM 1516 CB SER A 97 6.839 25.899 -9.350 1.00 0.00 C ATOM 1517 OG SER A 97 8.104 26.187 -8.779 1.00 0.00 O ATOM 0 H SER A 97 4.358 24.902 -9.713 1.00 0.00 H new ATOM 0 HA SER A 97 6.754 24.113 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 97 6.973 25.505 -10.357 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.260 26.818 -9.442 1.00 0.00 H new ATOM 0 HG SER A 97 8.577 26.834 -9.342 1.00 0.00 H new ATOM 1523 N GLY A 98 4.533 26.489 -7.518 1.00 0.00 N ATOM 1524 CA GLY A 98 3.902 27.209 -6.428 1.00 0.00 C ATOM 1525 C GLY A 98 4.630 28.493 -6.083 1.00 0.00 C ATOM 1526 O GLY A 98 5.157 28.639 -4.980 1.00 0.00 O ATOM 0 H GLY A 98 4.196 26.738 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.872 27.440 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.864 26.568 -5.547 1.00 0.00 H new TER 1530 GLY A 98