USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 822 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 38 SER OG : rot -103:sc= 0.177 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc=-0.00837 USER MOD Set 2.1: A 30 TYR OH : rot -39:sc= 1.71 USER MOD Set 2.2: A 32 SER OG : rot -89:sc= 0.134 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -173:sc= -2.48 (180deg=-2.62) USER MOD Set 3.2: A 63 SER OG : rot 67:sc= 0.482 USER MOD Single : A 1 SER N :NH3+ 138:sc= 0.67 (180deg=0.0363) USER MOD Single : A 1 SER OG : rot 180:sc= -0.175 USER MOD Single : A 5 LYS NZ :NH3+ -155:sc= -0.114 (180deg=-0.689) USER MOD Single : A 10 SER OG : rot -15:sc= 0.88 USER MOD Single : A 12 SER OG : rot 180:sc= -0.201 USER MOD Single : A 13 THR OG1 : rot 60:sc= 0.926 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 63:sc= 1.04 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -56:sc= 1.17 USER MOD Single : A 36 THR OG1 : rot -28:sc= 0.587 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 43 TYR OH : rot 130:sc= -0.226 USER MOD Single : A 48 THR OG1 : rot 133:sc= 0.506 USER MOD Single : A 54 SER OG : rot 180:sc= -0.424 USER MOD Single : A 55 SER OG : rot 97:sc= -0.0697 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0912) USER MOD Single : A 59 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.7!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 70 ASN : amide:sc= -0.236 K(o=-0.24,f=-2.1!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.862 K(o=-0.86,f=-1.8) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -150:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.308 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 53:sc= 0.881 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0385 F(o=-1.2!,f=-0.038) USER MOD Single : A 96 ASN : amide:sc= -1.91! C(o=-1.9!,f=-9.6!) USER MOD Single : A 101 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.00046) USER MOD Single : A 102 HIS : no HD1:sc= -0.209 K(o=-0.21,f=-1.8) USER MOD Single : A 103 HIS : no HE2:sc= -0.512 K(o=-0.51,f=-5.8!) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0751 X(o=-0.075,f=-0.069) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -11.571 0.753 -3.836 1.00 0.00 N ATOM 2 CA SER A 1 -10.963 0.138 -2.625 1.00 0.00 C ATOM 3 C SER A 1 -11.135 -1.375 -2.620 1.00 0.00 C ATOM 4 O SER A 1 -12.040 -1.920 -3.210 1.00 0.00 O ATOM 5 CB SER A 1 -11.640 0.685 -1.365 1.00 0.00 C ATOM 6 OG SER A 1 -11.583 -0.299 -0.326 1.00 0.00 O ATOM 0 H1 SER A 1 -12.076 1.622 -3.568 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.823 0.985 -4.520 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.239 0.083 -4.267 1.00 0.00 H new ATOM 0 HA SER A 1 -9.901 0.384 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.144 1.600 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.677 0.943 -1.579 1.00 0.00 H new ATOM 0 HG SER A 1 -12.015 0.052 0.481 1.00 0.00 H new ATOM 14 N ASP A 2 -10.252 -1.993 -1.889 1.00 0.00 N ATOM 15 CA ASP A 2 -10.183 -3.467 -1.635 1.00 0.00 C ATOM 16 C ASP A 2 -8.698 -3.798 -1.516 1.00 0.00 C ATOM 17 O ASP A 2 -7.851 -3.021 -1.909 1.00 0.00 O ATOM 18 CB ASP A 2 -10.898 -4.373 -2.666 1.00 0.00 C ATOM 19 CG ASP A 2 -10.208 -4.338 -4.023 1.00 0.00 C ATOM 20 OD1 ASP A 2 -9.334 -3.513 -4.199 1.00 0.00 O ATOM 21 OD2 ASP A 2 -10.566 -5.151 -4.863 1.00 0.00 O ATOM 0 H ASP A 2 -9.506 -1.486 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.741 -3.686 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.920 -5.398 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.934 -4.051 -2.776 1.00 0.00 H new ATOM 26 N LEU A 3 -8.372 -4.887 -0.897 1.00 0.00 N ATOM 27 CA LEU A 3 -6.936 -5.202 -0.650 1.00 0.00 C ATOM 28 C LEU A 3 -6.312 -5.953 -1.835 1.00 0.00 C ATOM 29 O LEU A 3 -6.748 -7.020 -2.219 1.00 0.00 O ATOM 30 CB LEU A 3 -6.884 -6.052 0.631 1.00 0.00 C ATOM 31 CG LEU A 3 -5.555 -5.854 1.381 1.00 0.00 C ATOM 32 CD1 LEU A 3 -4.383 -6.149 0.441 1.00 0.00 C ATOM 33 CD2 LEU A 3 -5.450 -4.405 1.925 1.00 0.00 C ATOM 0 H LEU A 3 -9.035 -5.579 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.358 -4.285 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.715 -5.782 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.007 -7.105 0.376 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.521 -6.543 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.444 -6.008 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.449 -7.179 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.421 -5.471 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.504 -4.282 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.497 -3.700 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.275 -4.213 2.610 1.00 0.00 H new ATOM 45 N VAL A 4 -5.269 -5.390 -2.406 1.00 0.00 N ATOM 46 CA VAL A 4 -4.570 -6.040 -3.559 1.00 0.00 C ATOM 47 C VAL A 4 -3.065 -6.042 -3.282 1.00 0.00 C ATOM 48 O VAL A 4 -2.578 -5.316 -2.439 1.00 0.00 O ATOM 49 CB VAL A 4 -4.859 -5.263 -4.849 1.00 0.00 C ATOM 50 CG1 VAL A 4 -6.358 -5.318 -5.150 1.00 0.00 C ATOM 51 CG2 VAL A 4 -4.429 -3.803 -4.680 1.00 0.00 C ATOM 0 H VAL A 4 -4.870 -4.497 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.927 -7.063 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.302 -5.711 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.566 -4.766 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.666 -6.356 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.912 -4.871 -4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.636 -3.254 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.983 -3.354 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.361 -3.761 -4.465 1.00 0.00 H new ATOM 61 N LYS A 5 -2.337 -6.868 -3.969 1.00 0.00 N ATOM 62 CA LYS A 5 -0.870 -6.947 -3.738 1.00 0.00 C ATOM 63 C LYS A 5 -0.168 -5.743 -4.371 1.00 0.00 C ATOM 64 O LYS A 5 -0.713 -5.051 -5.209 1.00 0.00 O ATOM 65 CB LYS A 5 -0.341 -8.245 -4.361 1.00 0.00 C ATOM 66 CG LYS A 5 -0.588 -9.427 -3.412 1.00 0.00 C ATOM 67 CD LYS A 5 -2.092 -9.682 -3.278 1.00 0.00 C ATOM 68 CE LYS A 5 -2.320 -11.006 -2.546 1.00 0.00 C ATOM 69 NZ LYS A 5 -1.847 -12.133 -3.398 1.00 0.00 N ATOM 0 H LYS A 5 -2.696 -7.498 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.669 -6.940 -2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -0.835 -8.426 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.725 -8.150 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -0.091 -10.320 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.158 -9.215 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.563 -8.865 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.556 -9.714 -4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.786 -11.005 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.378 -11.129 -2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.354 -13.003 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.031 -11.913 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.826 -12.271 -3.256 1.00 0.00 H new ATOM 83 N ILE A 6 1.047 -5.496 -3.965 1.00 0.00 N ATOM 84 CA ILE A 6 1.816 -4.348 -4.520 1.00 0.00 C ATOM 85 C ILE A 6 2.028 -4.561 -6.022 1.00 0.00 C ATOM 86 O ILE A 6 1.890 -3.653 -6.817 1.00 0.00 O ATOM 87 CB ILE A 6 3.183 -4.280 -3.828 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.995 -4.281 -2.303 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.919 -3.008 -4.255 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.023 -3.172 -1.882 1.00 0.00 C ATOM 0 H ILE A 6 1.544 -6.047 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 6 1.267 -3.422 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 6 3.772 -5.150 -4.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.614 -5.249 -1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.957 -4.136 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.889 -2.966 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.063 -3.016 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.330 -2.135 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.901 -3.187 -0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.420 -2.204 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.056 -3.335 -2.358 1.00 0.00 H new ATOM 102 N ARG A 7 2.374 -5.756 -6.410 1.00 0.00 N ATOM 103 CA ARG A 7 2.612 -6.042 -7.855 1.00 0.00 C ATOM 104 C ARG A 7 1.301 -5.900 -8.643 1.00 0.00 C ATOM 105 O ARG A 7 1.305 -5.771 -9.851 1.00 0.00 O ATOM 106 CB ARG A 7 3.145 -7.476 -8.001 1.00 0.00 C ATOM 107 CG ARG A 7 3.840 -7.653 -9.365 1.00 0.00 C ATOM 108 CD ARG A 7 5.310 -7.229 -9.267 1.00 0.00 C ATOM 109 NE ARG A 7 5.947 -7.336 -10.609 1.00 0.00 N ATOM 110 CZ ARG A 7 7.229 -7.130 -10.742 1.00 0.00 C ATOM 111 NH1 ARG A 7 7.956 -6.841 -9.698 1.00 0.00 N ATOM 112 NH2 ARG A 7 7.783 -7.218 -11.920 1.00 0.00 N ATOM 0 H ARG A 7 2.503 -6.552 -5.786 1.00 0.00 H new ATOM 0 HA ARG A 7 3.340 -5.333 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.848 -7.694 -7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.324 -8.187 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.774 -8.693 -9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.331 -7.056 -10.121 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.381 -6.205 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.835 -7.862 -8.552 1.00 0.00 H new ATOM 0 HE ARG A 7 5.381 -7.570 -11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.523 -6.776 -8.777 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.958 -6.680 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.214 -7.447 -12.735 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.785 -7.057 -12.026 1.00 0.00 H new ATOM 126 N ASP A 8 0.180 -5.932 -7.970 1.00 0.00 N ATOM 127 CA ASP A 8 -1.132 -5.807 -8.680 1.00 0.00 C ATOM 128 C ASP A 8 -1.489 -4.329 -8.881 1.00 0.00 C ATOM 129 O ASP A 8 -2.519 -4.000 -9.433 1.00 0.00 O ATOM 130 CB ASP A 8 -2.226 -6.475 -7.844 1.00 0.00 C ATOM 131 CG ASP A 8 -1.999 -7.988 -7.818 1.00 0.00 C ATOM 132 OD1 ASP A 8 -1.235 -8.468 -8.639 1.00 0.00 O ATOM 133 OD2 ASP A 8 -2.594 -8.641 -6.975 1.00 0.00 O ATOM 0 H ASP A 8 0.115 -6.039 -6.958 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.054 -6.292 -9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.216 -6.078 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.207 -6.251 -8.264 1.00 0.00 H new ATOM 138 N VAL A 9 -0.650 -3.438 -8.431 1.00 0.00 N ATOM 139 CA VAL A 9 -0.944 -1.983 -8.585 1.00 0.00 C ATOM 140 C VAL A 9 -0.923 -1.591 -10.068 1.00 0.00 C ATOM 141 O VAL A 9 -0.020 -1.942 -10.803 1.00 0.00 O ATOM 142 CB VAL A 9 0.112 -1.178 -7.825 1.00 0.00 C ATOM 143 CG1 VAL A 9 -0.064 0.314 -8.117 1.00 0.00 C ATOM 144 CG2 VAL A 9 -0.050 -1.427 -6.322 1.00 0.00 C ATOM 0 H VAL A 9 0.229 -3.654 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.934 -1.771 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 9 1.106 -1.490 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.690 0.883 -7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.049 0.491 -9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.057 0.632 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.700 -0.856 -5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.045 -1.114 -6.007 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.080 -2.489 -6.113 1.00 0.00 H new ATOM 154 N SER A 10 -1.917 -0.861 -10.507 1.00 0.00 N ATOM 155 CA SER A 10 -1.966 -0.436 -11.937 1.00 0.00 C ATOM 156 C SER A 10 -2.848 0.807 -12.077 1.00 0.00 C ATOM 157 O SER A 10 -3.633 1.129 -11.207 1.00 0.00 O ATOM 158 CB SER A 10 -2.550 -1.561 -12.790 1.00 0.00 C ATOM 159 OG SER A 10 -1.696 -2.694 -12.716 1.00 0.00 O ATOM 0 H SER A 10 -2.698 -0.541 -9.934 1.00 0.00 H new ATOM 0 HA SER A 10 -0.955 -0.208 -12.274 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.549 -1.820 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.651 -1.234 -13.825 1.00 0.00 H new ATOM 0 HG SER A 10 -0.829 -2.426 -12.347 1.00 0.00 H new ATOM 165 N LEU A 11 -2.728 1.504 -13.172 1.00 0.00 N ATOM 166 CA LEU A 11 -3.558 2.724 -13.382 1.00 0.00 C ATOM 167 C LEU A 11 -5.031 2.323 -13.494 1.00 0.00 C ATOM 168 O LEU A 11 -5.918 3.074 -13.140 1.00 0.00 O ATOM 169 CB LEU A 11 -3.118 3.432 -14.665 1.00 0.00 C ATOM 170 CG LEU A 11 -1.663 3.901 -14.530 1.00 0.00 C ATOM 171 CD1 LEU A 11 -1.204 4.507 -15.859 1.00 0.00 C ATOM 172 CD2 LEU A 11 -1.541 4.953 -13.410 1.00 0.00 C ATOM 0 H LEU A 11 -2.088 1.281 -13.934 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.429 3.401 -12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.214 2.756 -15.515 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.768 4.285 -14.861 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.034 3.047 -14.277 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.171 4.842 -15.769 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.274 3.755 -16.645 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.840 5.356 -16.111 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.503 5.276 -13.326 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.170 5.811 -13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.863 4.517 -12.464 1.00 0.00 H new ATOM 184 N SER A 12 -5.296 1.146 -13.990 1.00 0.00 N ATOM 185 CA SER A 12 -6.710 0.693 -14.132 1.00 0.00 C ATOM 186 C SER A 12 -7.379 0.688 -12.758 1.00 0.00 C ATOM 187 O SER A 12 -8.589 0.717 -12.645 1.00 0.00 O ATOM 188 CB SER A 12 -6.735 -0.722 -14.712 1.00 0.00 C ATOM 189 OG SER A 12 -6.035 -1.601 -13.839 1.00 0.00 O ATOM 0 H SER A 12 -4.593 0.476 -14.304 1.00 0.00 H new ATOM 0 HA SER A 12 -7.245 1.370 -14.798 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.764 -1.058 -14.836 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.275 -0.730 -15.700 1.00 0.00 H new ATOM 0 HG SER A 12 -6.051 -2.509 -14.207 1.00 0.00 H new ATOM 195 N THR A 13 -6.595 0.655 -11.711 1.00 0.00 N ATOM 196 CA THR A 13 -7.156 0.652 -10.326 1.00 0.00 C ATOM 197 C THR A 13 -6.667 1.911 -9.595 1.00 0.00 C ATOM 198 O THR A 13 -5.716 1.863 -8.841 1.00 0.00 O ATOM 199 CB THR A 13 -6.658 -0.598 -9.596 1.00 0.00 C ATOM 200 OG1 THR A 13 -5.308 -0.414 -9.192 1.00 0.00 O ATOM 201 CG2 THR A 13 -6.747 -1.801 -10.534 1.00 0.00 C ATOM 0 H THR A 13 -5.576 0.630 -11.758 1.00 0.00 H new ATOM 0 HA THR A 13 -8.246 0.646 -10.354 1.00 0.00 H new ATOM 0 HB THR A 13 -7.277 -0.771 -8.715 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.248 0.359 -8.593 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.393 -2.693 -10.017 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.783 -1.947 -10.841 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.129 -1.623 -11.414 1.00 0.00 H new ATOM 209 N PRO A 14 -7.290 3.044 -9.834 1.00 0.00 N ATOM 210 CA PRO A 14 -6.871 4.327 -9.197 1.00 0.00 C ATOM 211 C PRO A 14 -7.188 4.371 -7.699 1.00 0.00 C ATOM 212 O PRO A 14 -6.681 5.206 -6.983 1.00 0.00 O ATOM 213 CB PRO A 14 -7.655 5.400 -9.971 1.00 0.00 C ATOM 214 CG PRO A 14 -8.865 4.697 -10.499 1.00 0.00 C ATOM 215 CD PRO A 14 -8.459 3.232 -10.721 1.00 0.00 C ATOM 0 HA PRO A 14 -5.792 4.471 -9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.934 6.229 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.057 5.817 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.693 4.767 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.201 5.151 -11.431 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.269 2.550 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.203 3.043 -11.763 1.00 0.00 H new ATOM 223 N TYR A 15 -8.024 3.480 -7.224 1.00 0.00 N ATOM 224 CA TYR A 15 -8.379 3.471 -5.769 1.00 0.00 C ATOM 225 C TYR A 15 -8.290 2.045 -5.223 1.00 0.00 C ATOM 226 O TYR A 15 -9.136 1.213 -5.488 1.00 0.00 O ATOM 227 CB TYR A 15 -9.803 3.998 -5.599 1.00 0.00 C ATOM 228 CG TYR A 15 -9.863 5.424 -6.094 1.00 0.00 C ATOM 229 CD1 TYR A 15 -9.232 6.440 -5.367 1.00 0.00 C ATOM 230 CD2 TYR A 15 -10.545 5.732 -7.279 1.00 0.00 C ATOM 231 CE1 TYR A 15 -9.280 7.763 -5.824 1.00 0.00 C ATOM 232 CE2 TYR A 15 -10.594 7.054 -7.735 1.00 0.00 C ATOM 233 CZ TYR A 15 -9.962 8.069 -7.007 1.00 0.00 C ATOM 234 OH TYR A 15 -10.008 9.373 -7.457 1.00 0.00 O ATOM 0 H TYR A 15 -8.477 2.757 -7.782 1.00 0.00 H new ATOM 0 HA TYR A 15 -7.684 4.106 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -10.503 3.376 -6.157 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.099 3.951 -4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.708 6.204 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.033 4.949 -7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.791 8.546 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -11.119 7.291 -8.648 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.520 9.413 -8.292 1.00 0.00 H new ATOM 244 N VAL A 16 -7.268 1.758 -4.456 1.00 0.00 N ATOM 245 CA VAL A 16 -7.115 0.386 -3.878 1.00 0.00 C ATOM 246 C VAL A 16 -6.485 0.475 -2.485 1.00 0.00 C ATOM 247 O VAL A 16 -5.929 1.487 -2.104 1.00 0.00 O ATOM 248 CB VAL A 16 -6.225 -0.465 -4.783 1.00 0.00 C ATOM 249 CG1 VAL A 16 -6.924 -0.681 -6.124 1.00 0.00 C ATOM 250 CG2 VAL A 16 -4.894 0.248 -5.012 1.00 0.00 C ATOM 0 H VAL A 16 -6.531 2.416 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.100 -0.076 -3.802 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.041 -1.428 -4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.291 -1.288 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.873 -1.193 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.108 0.283 -6.598 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.261 -0.361 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.075 1.213 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.395 0.402 -4.056 1.00 0.00 H new ATOM 260 N SER A 17 -6.565 -0.587 -1.722 1.00 0.00 N ATOM 261 CA SER A 17 -5.969 -0.600 -0.351 1.00 0.00 C ATOM 262 C SER A 17 -4.732 -1.500 -0.359 1.00 0.00 C ATOM 263 O SER A 17 -4.711 -2.532 -1.004 1.00 0.00 O ATOM 264 CB SER A 17 -6.992 -1.150 0.645 1.00 0.00 C ATOM 265 OG SER A 17 -6.397 -1.234 1.934 1.00 0.00 O ATOM 0 H SER A 17 -7.024 -1.456 -1.995 1.00 0.00 H new ATOM 0 HA SER A 17 -5.690 0.412 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.868 -0.503 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.335 -2.134 0.325 1.00 0.00 H new ATOM 0 HG SER A 17 -6.154 -0.336 2.241 1.00 0.00 H new ATOM 271 N VAL A 18 -3.697 -1.115 0.345 1.00 0.00 N ATOM 272 CA VAL A 18 -2.447 -1.941 0.381 1.00 0.00 C ATOM 273 C VAL A 18 -1.950 -2.063 1.823 1.00 0.00 C ATOM 274 O VAL A 18 -2.300 -1.280 2.685 1.00 0.00 O ATOM 275 CB VAL A 18 -1.364 -1.267 -0.469 1.00 0.00 C ATOM 276 CG1 VAL A 18 -1.786 -1.274 -1.940 1.00 0.00 C ATOM 277 CG2 VAL A 18 -1.175 0.180 -0.005 1.00 0.00 C ATOM 0 H VAL A 18 -3.662 -0.260 0.900 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.662 -2.933 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.427 -1.813 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.014 -0.794 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.921 -2.302 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.724 -0.730 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.405 0.658 -0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.113 0.723 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.872 0.190 1.042 1.00 0.00 H new ATOM 287 N ILE A 19 -1.130 -3.045 2.088 1.00 0.00 N ATOM 288 CA ILE A 19 -0.592 -3.238 3.468 1.00 0.00 C ATOM 289 C ILE A 19 0.862 -3.704 3.385 1.00 0.00 C ATOM 290 O ILE A 19 1.208 -4.542 2.573 1.00 0.00 O ATOM 291 CB ILE A 19 -1.438 -4.286 4.201 1.00 0.00 C ATOM 292 CG1 ILE A 19 -1.088 -4.272 5.693 1.00 0.00 C ATOM 293 CG2 ILE A 19 -1.172 -5.676 3.618 1.00 0.00 C ATOM 294 CD1 ILE A 19 -1.850 -5.386 6.414 1.00 0.00 C ATOM 0 H ILE A 19 -0.807 -3.728 1.402 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.635 -2.297 4.016 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.494 -4.047 4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.015 -4.408 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.343 -3.305 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.777 -6.414 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.432 -5.682 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.117 -5.923 3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.598 -5.372 7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.922 -5.230 6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.574 -6.351 5.988 1.00 0.00 H new ATOM 306 N GLY A 20 1.721 -3.169 4.212 1.00 0.00 N ATOM 307 CA GLY A 20 3.148 -3.597 4.157 1.00 0.00 C ATOM 308 C GLY A 20 3.983 -2.827 5.182 1.00 0.00 C ATOM 309 O GLY A 20 3.463 -2.181 6.072 1.00 0.00 O ATOM 0 H GLY A 20 1.500 -2.463 4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.220 -4.667 4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.545 -3.428 3.156 1.00 0.00 H new ATOM 313 N LYS A 21 5.285 -2.901 5.052 1.00 0.00 N ATOM 314 CA LYS A 21 6.200 -2.195 6.000 1.00 0.00 C ATOM 315 C LYS A 21 6.779 -0.957 5.319 1.00 0.00 C ATOM 316 O LYS A 21 7.232 -1.014 4.191 1.00 0.00 O ATOM 317 CB LYS A 21 7.328 -3.150 6.397 1.00 0.00 C ATOM 318 CG LYS A 21 8.258 -2.474 7.402 1.00 0.00 C ATOM 319 CD LYS A 21 9.299 -3.490 7.876 1.00 0.00 C ATOM 320 CE LYS A 21 10.232 -2.840 8.897 1.00 0.00 C ATOM 321 NZ LYS A 21 11.123 -1.869 8.203 1.00 0.00 N ATOM 0 H LYS A 21 5.758 -3.428 4.318 1.00 0.00 H new ATOM 0 HA LYS A 21 5.653 -1.885 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.910 -4.059 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.891 -3.448 5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.750 -1.617 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.686 -2.097 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.802 -4.352 8.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.875 -3.857 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.650 -2.332 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.827 -3.602 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.836 -1.513 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.599 -2.341 7.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.557 -1.073 7.845 1.00 0.00 H new ATOM 335 N ILE A 22 6.747 0.166 6.000 1.00 0.00 N ATOM 336 CA ILE A 22 7.275 1.435 5.403 1.00 0.00 C ATOM 337 C ILE A 22 8.769 1.579 5.719 1.00 0.00 C ATOM 338 O ILE A 22 9.188 1.450 6.851 1.00 0.00 O ATOM 339 CB ILE A 22 6.518 2.627 6.001 1.00 0.00 C ATOM 340 CG1 ILE A 22 5.005 2.366 5.947 1.00 0.00 C ATOM 341 CG2 ILE A 22 6.848 3.897 5.211 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.589 1.954 4.531 1.00 0.00 C ATOM 0 H ILE A 22 6.377 0.258 6.946 1.00 0.00 H new ATOM 0 HA ILE A 22 7.136 1.409 4.322 1.00 0.00 H new ATOM 0 HB ILE A 22 6.822 2.757 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.739 1.581 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.463 3.263 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.308 4.742 5.639 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.920 4.088 5.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.551 3.766 4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.515 1.772 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.838 2.752 3.832 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.118 1.044 4.247 1.00 0.00 H new ATOM 354 N THR A 23 9.576 1.848 4.719 1.00 0.00 N ATOM 355 CA THR A 23 11.050 2.003 4.946 1.00 0.00 C ATOM 356 C THR A 23 11.580 3.193 4.137 1.00 0.00 C ATOM 357 O THR A 23 10.958 3.646 3.198 1.00 0.00 O ATOM 358 CB THR A 23 11.766 0.730 4.491 1.00 0.00 C ATOM 359 OG1 THR A 23 11.619 0.584 3.085 1.00 0.00 O ATOM 360 CG2 THR A 23 11.157 -0.482 5.197 1.00 0.00 C ATOM 0 H THR A 23 9.276 1.967 3.751 1.00 0.00 H new ATOM 0 HA THR A 23 11.234 2.176 6.006 1.00 0.00 H new ATOM 0 HB THR A 23 12.824 0.799 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.078 -0.230 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.669 -1.388 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.269 -0.369 6.275 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.098 -0.554 4.948 1.00 0.00 H new ATOM 368 N GLY A 24 12.735 3.696 4.491 1.00 0.00 N ATOM 369 CA GLY A 24 13.317 4.848 3.738 1.00 0.00 C ATOM 370 C GLY A 24 12.344 6.029 3.751 1.00 0.00 C ATOM 371 O GLY A 24 11.639 6.277 2.794 1.00 0.00 O ATOM 0 H GLY A 24 13.301 3.358 5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.266 5.143 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.528 4.552 2.710 1.00 0.00 H new ATOM 375 N ILE A 25 12.301 6.763 4.832 1.00 0.00 N ATOM 376 CA ILE A 25 11.373 7.932 4.915 1.00 0.00 C ATOM 377 C ILE A 25 12.092 9.197 4.438 1.00 0.00 C ATOM 378 O ILE A 25 13.092 9.602 4.998 1.00 0.00 O ATOM 379 CB ILE A 25 10.929 8.121 6.368 1.00 0.00 C ATOM 380 CG1 ILE A 25 10.380 6.794 6.917 1.00 0.00 C ATOM 381 CG2 ILE A 25 9.847 9.203 6.446 1.00 0.00 C ATOM 382 CD1 ILE A 25 9.286 6.241 5.994 1.00 0.00 C ATOM 0 H ILE A 25 12.870 6.604 5.664 1.00 0.00 H new ATOM 0 HA ILE A 25 10.504 7.750 4.283 1.00 0.00 H new ATOM 0 HB ILE A 25 11.785 8.431 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.189 6.069 7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.976 6.947 7.918 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.536 9.332 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.245 10.144 6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.989 8.904 5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.909 5.302 6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.470 6.960 5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.701 6.068 5.001 1.00 0.00 H new ATOM 394 N HIS A 26 11.578 9.823 3.408 1.00 0.00 N ATOM 395 CA HIS A 26 12.201 11.075 2.869 1.00 0.00 C ATOM 396 C HIS A 26 11.188 12.219 2.963 1.00 0.00 C ATOM 397 O HIS A 26 10.076 12.117 2.481 1.00 0.00 O ATOM 398 CB HIS A 26 12.591 10.855 1.407 1.00 0.00 C ATOM 399 CG HIS A 26 13.693 9.834 1.336 1.00 0.00 C ATOM 400 ND1 HIS A 26 13.441 8.482 1.167 1.00 0.00 N ATOM 401 CD2 HIS A 26 15.058 9.952 1.419 1.00 0.00 C ATOM 402 CE1 HIS A 26 14.626 7.846 1.155 1.00 0.00 C ATOM 403 NE2 HIS A 26 15.646 8.696 1.306 1.00 0.00 N ATOM 0 H HIS A 26 10.742 9.516 2.910 1.00 0.00 H new ATOM 0 HA HIS A 26 13.090 11.326 3.448 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.727 10.515 0.835 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.920 11.794 0.961 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.595 10.880 1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.739 6.778 1.038 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.641 8.472 1.333 1.00 0.00 H new ATOM 411 N LYS A 27 11.560 13.305 3.587 1.00 0.00 N ATOM 412 CA LYS A 27 10.620 14.460 3.723 1.00 0.00 C ATOM 413 C LYS A 27 10.847 15.455 2.584 1.00 0.00 C ATOM 414 O LYS A 27 11.965 15.809 2.263 1.00 0.00 O ATOM 415 CB LYS A 27 10.865 15.158 5.064 1.00 0.00 C ATOM 416 CG LYS A 27 9.869 16.307 5.239 1.00 0.00 C ATOM 417 CD LYS A 27 10.080 16.960 6.606 1.00 0.00 C ATOM 418 CE LYS A 27 9.080 18.103 6.788 1.00 0.00 C ATOM 419 NZ LYS A 27 9.513 18.962 7.925 1.00 0.00 N ATOM 0 H LYS A 27 12.477 13.444 4.010 1.00 0.00 H new ATOM 0 HA LYS A 27 9.594 14.094 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.758 14.444 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.885 15.539 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.004 17.044 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.848 15.934 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.951 16.221 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.099 17.339 6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.016 18.694 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.084 17.703 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.834 19.740 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.552 18.393 8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.455 19.354 7.725 1.00 0.00 H new ATOM 433 N LYS A 28 9.785 15.917 1.977 1.00 0.00 N ATOM 434 CA LYS A 28 9.910 16.900 0.861 1.00 0.00 C ATOM 435 C LYS A 28 8.692 17.826 0.874 1.00 0.00 C ATOM 436 O LYS A 28 7.590 17.409 1.172 1.00 0.00 O ATOM 437 CB LYS A 28 9.973 16.154 -0.475 1.00 0.00 C ATOM 438 CG LYS A 28 10.210 17.157 -1.613 1.00 0.00 C ATOM 439 CD LYS A 28 10.263 16.426 -2.962 1.00 0.00 C ATOM 440 CE LYS A 28 11.623 15.742 -3.150 1.00 0.00 C ATOM 441 NZ LYS A 28 11.733 15.245 -4.550 1.00 0.00 N ATOM 0 H LYS A 28 8.828 15.652 2.209 1.00 0.00 H new ATOM 0 HA LYS A 28 10.820 17.487 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.775 15.416 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.044 15.610 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.412 17.900 -1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.143 17.694 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.466 15.684 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.090 17.134 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.429 16.444 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.727 14.914 -2.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.654 14.780 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.971 14.563 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.651 16.045 -5.210 1.00 0.00 H new ATOM 455 N GLU A 29 8.884 19.084 0.556 1.00 0.00 N ATOM 456 CA GLU A 29 7.743 20.058 0.544 1.00 0.00 C ATOM 457 C GLU A 29 7.652 20.714 -0.833 1.00 0.00 C ATOM 458 O GLU A 29 8.651 20.955 -1.484 1.00 0.00 O ATOM 459 CB GLU A 29 7.970 21.128 1.622 1.00 0.00 C ATOM 460 CG GLU A 29 9.193 21.983 1.277 1.00 0.00 C ATOM 461 CD GLU A 29 9.476 22.949 2.431 1.00 0.00 C ATOM 462 OE1 GLU A 29 8.527 23.360 3.078 1.00 0.00 O ATOM 463 OE2 GLU A 29 10.636 23.258 2.647 1.00 0.00 O ATOM 0 H GLU A 29 9.788 19.482 0.302 1.00 0.00 H new ATOM 0 HA GLU A 29 6.811 19.534 0.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.087 21.762 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.113 20.652 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.059 21.345 1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.014 22.540 0.357 1.00 0.00 H new ATOM 470 N TYR A 30 6.459 21.000 -1.290 1.00 0.00 N ATOM 471 CA TYR A 30 6.297 21.638 -2.634 1.00 0.00 C ATOM 472 C TYR A 30 5.168 22.668 -2.579 1.00 0.00 C ATOM 473 O TYR A 30 4.335 22.653 -1.691 1.00 0.00 O ATOM 474 CB TYR A 30 5.973 20.564 -3.678 1.00 0.00 C ATOM 475 CG TYR A 30 4.659 19.897 -3.342 1.00 0.00 C ATOM 476 CD1 TYR A 30 4.592 18.963 -2.302 1.00 0.00 C ATOM 477 CD2 TYR A 30 3.508 20.208 -4.078 1.00 0.00 C ATOM 478 CE1 TYR A 30 3.376 18.342 -1.997 1.00 0.00 C ATOM 479 CE2 TYR A 30 2.292 19.586 -3.772 1.00 0.00 C ATOM 480 CZ TYR A 30 2.226 18.654 -2.731 1.00 0.00 C ATOM 481 OH TYR A 30 1.028 18.041 -2.429 1.00 0.00 O ATOM 0 H TYR A 30 5.588 20.819 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 30 7.225 22.138 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 30 5.919 21.013 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.770 19.821 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.479 18.722 -1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.559 20.928 -4.882 1.00 0.00 H new ATOM 0 HE1 TYR A 30 3.325 17.621 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.405 19.826 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 30 1.189 17.101 -2.203 1.00 0.00 H new ATOM 491 N GLU A 31 5.142 23.575 -3.519 1.00 0.00 N ATOM 492 CA GLU A 31 4.082 24.624 -3.524 1.00 0.00 C ATOM 493 C GLU A 31 2.788 24.042 -4.097 1.00 0.00 C ATOM 494 O GLU A 31 2.719 23.685 -5.257 1.00 0.00 O ATOM 495 CB GLU A 31 4.546 25.800 -4.390 1.00 0.00 C ATOM 496 CG GLU A 31 3.605 26.991 -4.185 1.00 0.00 C ATOM 497 CD GLU A 31 3.828 27.581 -2.790 1.00 0.00 C ATOM 498 OE1 GLU A 31 4.747 27.140 -2.121 1.00 0.00 O ATOM 499 OE2 GLU A 31 3.075 28.465 -2.416 1.00 0.00 O ATOM 0 H GLU A 31 5.812 23.634 -4.286 1.00 0.00 H new ATOM 0 HA GLU A 31 3.899 24.968 -2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.566 26.079 -4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.557 25.509 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.789 27.749 -4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.568 26.673 -4.296 1.00 0.00 H new ATOM 506 N SER A 32 1.762 23.943 -3.287 1.00 0.00 N ATOM 507 CA SER A 32 0.458 23.384 -3.764 1.00 0.00 C ATOM 508 C SER A 32 -0.581 24.506 -3.845 1.00 0.00 C ATOM 509 O SER A 32 -0.994 25.055 -2.844 1.00 0.00 O ATOM 510 CB SER A 32 -0.026 22.320 -2.775 1.00 0.00 C ATOM 511 OG SER A 32 1.059 21.466 -2.434 1.00 0.00 O ATOM 0 H SER A 32 1.772 24.228 -2.308 1.00 0.00 H new ATOM 0 HA SER A 32 0.591 22.939 -4.750 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.425 22.795 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.836 21.739 -3.216 1.00 0.00 H new ATOM 0 HG SER A 32 1.098 20.718 -3.066 1.00 0.00 H new ATOM 517 N ASP A 33 -1.008 24.843 -5.031 1.00 0.00 N ATOM 518 CA ASP A 33 -2.028 25.924 -5.193 1.00 0.00 C ATOM 519 C ASP A 33 -1.565 27.200 -4.480 1.00 0.00 C ATOM 520 O ASP A 33 -2.366 27.982 -4.006 1.00 0.00 O ATOM 521 CB ASP A 33 -3.364 25.466 -4.603 1.00 0.00 C ATOM 522 CG ASP A 33 -3.982 24.393 -5.500 1.00 0.00 C ATOM 523 OD1 ASP A 33 -3.527 24.252 -6.624 1.00 0.00 O ATOM 524 OD2 ASP A 33 -4.901 23.728 -5.049 1.00 0.00 O ATOM 0 H ASP A 33 -0.694 24.415 -5.902 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.151 26.135 -6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.213 25.071 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.043 26.314 -4.513 1.00 0.00 H new ATOM 529 N GLY A 34 -0.281 27.426 -4.414 1.00 0.00 N ATOM 530 CA GLY A 34 0.234 28.664 -3.748 1.00 0.00 C ATOM 531 C GLY A 34 0.470 28.415 -2.256 1.00 0.00 C ATOM 532 O GLY A 34 0.936 29.285 -1.546 1.00 0.00 O ATOM 0 H GLY A 34 0.437 26.808 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.164 28.978 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.480 29.477 -3.878 1.00 0.00 H new ATOM 536 N THR A 35 0.160 27.236 -1.774 1.00 0.00 N ATOM 537 CA THR A 35 0.370 26.921 -0.322 1.00 0.00 C ATOM 538 C THR A 35 1.367 25.769 -0.194 1.00 0.00 C ATOM 539 O THR A 35 1.191 24.712 -0.767 1.00 0.00 O ATOM 540 CB THR A 35 -0.968 26.522 0.305 1.00 0.00 C ATOM 541 OG1 THR A 35 -1.450 25.342 -0.323 1.00 0.00 O ATOM 542 CG2 THR A 35 -1.977 27.655 0.111 1.00 0.00 C ATOM 0 H THR A 35 -0.232 26.473 -2.326 1.00 0.00 H new ATOM 0 HA THR A 35 0.764 27.796 0.194 1.00 0.00 H new ATOM 0 HB THR A 35 -0.832 26.336 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.522 25.491 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.931 27.373 0.557 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.605 28.560 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.115 27.841 -0.954 1.00 0.00 H new ATOM 550 N THR A 36 2.419 25.973 0.548 1.00 0.00 N ATOM 551 CA THR A 36 3.443 24.907 0.717 1.00 0.00 C ATOM 552 C THR A 36 2.877 23.758 1.553 1.00 0.00 C ATOM 553 O THR A 36 2.242 23.968 2.568 1.00 0.00 O ATOM 554 CB THR A 36 4.672 25.490 1.418 1.00 0.00 C ATOM 555 OG1 THR A 36 5.111 26.644 0.714 1.00 0.00 O ATOM 556 CG2 THR A 36 5.792 24.449 1.444 1.00 0.00 C ATOM 0 H THR A 36 2.614 26.840 1.048 1.00 0.00 H new ATOM 0 HA THR A 36 3.724 24.526 -0.265 1.00 0.00 H new ATOM 0 HB THR A 36 4.412 25.763 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.865 26.564 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.666 24.867 1.944 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.454 23.564 1.984 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.056 24.173 0.423 1.00 0.00 H new ATOM 564 N LYS A 37 3.117 22.541 1.131 1.00 0.00 N ATOM 565 CA LYS A 37 2.617 21.351 1.888 1.00 0.00 C ATOM 566 C LYS A 37 3.756 20.349 2.061 1.00 0.00 C ATOM 567 O LYS A 37 4.630 20.233 1.222 1.00 0.00 O ATOM 568 CB LYS A 37 1.469 20.690 1.122 1.00 0.00 C ATOM 569 CG LYS A 37 0.254 21.618 1.131 1.00 0.00 C ATOM 570 CD LYS A 37 -0.905 20.954 0.389 1.00 0.00 C ATOM 571 CE LYS A 37 -2.126 21.874 0.425 1.00 0.00 C ATOM 572 NZ LYS A 37 -3.261 21.218 -0.281 1.00 0.00 N ATOM 0 H LYS A 37 3.643 22.319 0.286 1.00 0.00 H new ATOM 0 HA LYS A 37 2.256 21.672 2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.774 20.481 0.097 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.214 19.734 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.038 21.841 2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.505 22.567 0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.621 20.749 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.145 19.996 0.850 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.402 22.090 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.891 22.827 -0.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.092 21.843 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.995 21.033 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.490 20.319 0.190 1.00 0.00 H new ATOM 586 N SER A 38 3.754 19.625 3.151 1.00 0.00 N ATOM 587 CA SER A 38 4.835 18.625 3.401 1.00 0.00 C ATOM 588 C SER A 38 4.363 17.237 2.973 1.00 0.00 C ATOM 589 O SER A 38 3.280 16.796 3.324 1.00 0.00 O ATOM 590 CB SER A 38 5.168 18.604 4.895 1.00 0.00 C ATOM 591 OG SER A 38 5.990 17.478 5.176 1.00 0.00 O ATOM 0 H SER A 38 3.046 19.684 3.883 1.00 0.00 H new ATOM 0 HA SER A 38 5.720 18.900 2.827 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.681 19.523 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.252 18.556 5.483 1.00 0.00 H new ATOM 0 HG SER A 38 5.452 16.779 5.603 1.00 0.00 H new ATOM 597 N VAL A 39 5.179 16.539 2.224 1.00 0.00 N ATOM 598 CA VAL A 39 4.819 15.167 1.763 1.00 0.00 C ATOM 599 C VAL A 39 5.999 14.234 2.035 1.00 0.00 C ATOM 600 O VAL A 39 7.140 14.569 1.781 1.00 0.00 O ATOM 601 CB VAL A 39 4.506 15.194 0.260 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.615 15.939 -0.484 1.00 0.00 C ATOM 603 CG2 VAL A 39 4.401 13.762 -0.279 1.00 0.00 C ATOM 0 H VAL A 39 6.092 16.868 1.909 1.00 0.00 H new ATOM 0 HA VAL A 39 3.939 14.811 2.298 1.00 0.00 H new ATOM 0 HB VAL A 39 3.556 15.706 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.390 15.956 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.681 16.961 -0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.566 15.432 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.179 13.790 -1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.346 13.243 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.604 13.234 0.244 1.00 0.00 H new ATOM 613 N TYR A 40 5.730 13.068 2.561 1.00 0.00 N ATOM 614 CA TYR A 40 6.824 12.097 2.864 1.00 0.00 C ATOM 615 C TYR A 40 6.811 10.987 1.818 1.00 0.00 C ATOM 616 O TYR A 40 5.770 10.469 1.465 1.00 0.00 O ATOM 617 CB TYR A 40 6.594 11.503 4.254 1.00 0.00 C ATOM 618 CG TYR A 40 6.724 12.599 5.284 1.00 0.00 C ATOM 619 CD1 TYR A 40 5.624 13.415 5.578 1.00 0.00 C ATOM 620 CD2 TYR A 40 7.944 12.807 5.936 1.00 0.00 C ATOM 621 CE1 TYR A 40 5.746 14.437 6.526 1.00 0.00 C ATOM 622 CE2 TYR A 40 8.066 13.831 6.883 1.00 0.00 C ATOM 623 CZ TYR A 40 6.967 14.646 7.178 1.00 0.00 C ATOM 624 OH TYR A 40 7.088 15.657 8.111 1.00 0.00 O ATOM 0 H TYR A 40 4.792 12.744 2.796 1.00 0.00 H new ATOM 0 HA TYR A 40 7.790 12.602 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.605 11.049 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.319 10.713 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.683 13.255 5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.792 12.178 5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.898 15.065 6.755 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.008 13.992 7.386 1.00 0.00 H new ATOM 0 HH TYR A 40 8.000 15.664 8.469 1.00 0.00 H new ATOM 634 N GLN A 41 7.964 10.622 1.319 1.00 0.00 N ATOM 635 CA GLN A 41 8.048 9.544 0.284 1.00 0.00 C ATOM 636 C GLN A 41 8.999 8.456 0.764 1.00 0.00 C ATOM 637 O GLN A 41 9.886 8.695 1.561 1.00 0.00 O ATOM 638 CB GLN A 41 8.571 10.132 -1.028 1.00 0.00 C ATOM 639 CG GLN A 41 7.522 11.076 -1.616 1.00 0.00 C ATOM 640 CD GLN A 41 8.064 11.708 -2.898 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.146 11.379 -3.341 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.352 12.609 -3.518 1.00 0.00 N ATOM 0 H GLN A 41 8.861 11.028 1.586 1.00 0.00 H new ATOM 0 HA GLN A 41 7.057 9.120 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.502 10.670 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.793 9.332 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.604 10.529 -1.828 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.271 11.853 -0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.443 12.885 -3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.704 13.037 -4.374 1.00 0.00 H new ATOM 651 N GLY A 42 8.813 7.257 0.295 1.00 0.00 N ATOM 652 CA GLY A 42 9.702 6.150 0.735 1.00 0.00 C ATOM 653 C GLY A 42 9.390 4.886 -0.061 1.00 0.00 C ATOM 654 O GLY A 42 8.942 4.941 -1.192 1.00 0.00 O ATOM 0 H GLY A 42 8.087 6.996 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.745 6.431 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.565 5.963 1.800 1.00 0.00 H new ATOM 658 N TYR A 43 9.627 3.746 0.531 1.00 0.00 N ATOM 659 CA TYR A 43 9.356 2.450 -0.158 1.00 0.00 C ATOM 660 C TYR A 43 8.545 1.547 0.764 1.00 0.00 C ATOM 661 O TYR A 43 8.712 1.558 1.970 1.00 0.00 O ATOM 662 CB TYR A 43 10.684 1.775 -0.498 1.00 0.00 C ATOM 663 CG TYR A 43 11.402 2.599 -1.539 1.00 0.00 C ATOM 664 CD1 TYR A 43 12.102 3.750 -1.159 1.00 0.00 C ATOM 665 CD2 TYR A 43 11.364 2.215 -2.884 1.00 0.00 C ATOM 666 CE1 TYR A 43 12.760 4.519 -2.127 1.00 0.00 C ATOM 667 CE2 TYR A 43 12.024 2.981 -3.851 1.00 0.00 C ATOM 668 CZ TYR A 43 12.720 4.134 -3.471 1.00 0.00 C ATOM 669 OH TYR A 43 13.367 4.893 -4.425 1.00 0.00 O ATOM 0 H TYR A 43 10.002 3.656 1.475 1.00 0.00 H new ATOM 0 HA TYR A 43 8.793 2.630 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.299 1.681 0.397 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.509 0.766 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 43 12.135 4.045 -0.121 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.824 1.326 -3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 43 13.298 5.409 -1.836 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.996 2.683 -4.889 1.00 0.00 H new ATOM 0 HH TYR A 43 13.928 4.312 -4.980 1.00 0.00 H new ATOM 679 N ILE A 44 7.672 0.755 0.199 1.00 0.00 N ATOM 680 CA ILE A 44 6.834 -0.178 1.011 1.00 0.00 C ATOM 681 C ILE A 44 7.062 -1.589 0.490 1.00 0.00 C ATOM 682 O ILE A 44 7.212 -1.792 -0.699 1.00 0.00 O ATOM 683 CB ILE A 44 5.352 0.185 0.864 1.00 0.00 C ATOM 684 CG1 ILE A 44 4.515 -0.707 1.787 1.00 0.00 C ATOM 685 CG2 ILE A 44 4.907 -0.029 -0.587 1.00 0.00 C ATOM 686 CD1 ILE A 44 3.107 -0.124 1.926 1.00 0.00 C ATOM 0 H ILE A 44 7.501 0.714 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 44 7.108 -0.107 2.063 1.00 0.00 H new ATOM 0 HB ILE A 44 5.210 1.231 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.463 -1.718 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.988 -0.779 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.853 0.230 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.500 0.604 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.051 -1.074 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.513 -0.760 2.583 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.168 0.878 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.635 -0.075 0.945 1.00 0.00 H new ATOM 698 N GLU A 45 7.101 -2.560 1.369 1.00 0.00 N ATOM 699 CA GLU A 45 7.333 -3.979 0.936 1.00 0.00 C ATOM 700 C GLU A 45 6.240 -4.877 1.511 1.00 0.00 C ATOM 701 O GLU A 45 5.675 -4.601 2.550 1.00 0.00 O ATOM 702 CB GLU A 45 8.699 -4.450 1.445 1.00 0.00 C ATOM 703 CG GLU A 45 8.964 -5.881 0.964 1.00 0.00 C ATOM 704 CD GLU A 45 10.368 -6.313 1.387 1.00 0.00 C ATOM 705 OE1 GLU A 45 11.151 -5.447 1.745 1.00 0.00 O ATOM 706 OE2 GLU A 45 10.641 -7.502 1.344 1.00 0.00 O ATOM 0 H GLU A 45 6.982 -2.433 2.374 1.00 0.00 H new ATOM 0 HA GLU A 45 7.310 -4.033 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.482 -3.784 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.725 -4.411 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.222 -6.560 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.867 -5.935 -0.120 1.00 0.00 H new ATOM 713 N ASP A 46 5.933 -5.954 0.830 1.00 0.00 N ATOM 714 CA ASP A 46 4.869 -6.883 1.321 1.00 0.00 C ATOM 715 C ASP A 46 5.288 -8.330 1.040 1.00 0.00 C ATOM 716 O ASP A 46 6.459 -8.647 0.969 1.00 0.00 O ATOM 717 CB ASP A 46 3.556 -6.573 0.591 1.00 0.00 C ATOM 718 CG ASP A 46 2.385 -7.213 1.342 1.00 0.00 C ATOM 719 OD1 ASP A 46 2.640 -7.961 2.272 1.00 0.00 O ATOM 720 OD2 ASP A 46 1.253 -6.947 0.973 1.00 0.00 O ATOM 0 H ASP A 46 6.375 -6.230 -0.047 1.00 0.00 H new ATOM 0 HA ASP A 46 4.729 -6.752 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.412 -5.495 0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.597 -6.953 -0.430 1.00 0.00 H new ATOM 725 N ASP A 47 4.338 -9.210 0.890 1.00 0.00 N ATOM 726 CA ASP A 47 4.670 -10.638 0.624 1.00 0.00 C ATOM 727 C ASP A 47 5.039 -10.822 -0.849 1.00 0.00 C ATOM 728 O ASP A 47 5.467 -11.883 -1.259 1.00 0.00 O ATOM 729 CB ASP A 47 3.454 -11.509 0.955 1.00 0.00 C ATOM 730 CG ASP A 47 3.211 -11.502 2.466 1.00 0.00 C ATOM 731 OD1 ASP A 47 4.099 -11.080 3.188 1.00 0.00 O ATOM 732 OD2 ASP A 47 2.140 -11.920 2.875 1.00 0.00 O ATOM 0 H ASP A 47 3.341 -9.001 0.940 1.00 0.00 H new ATOM 0 HA ASP A 47 5.516 -10.932 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.573 -11.134 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.620 -12.529 0.608 1.00 0.00 H new ATOM 737 N THR A 48 4.869 -9.799 -1.652 1.00 0.00 N ATOM 738 CA THR A 48 5.196 -9.909 -3.113 1.00 0.00 C ATOM 739 C THR A 48 6.454 -9.099 -3.440 1.00 0.00 C ATOM 740 O THR A 48 7.549 -9.623 -3.469 1.00 0.00 O ATOM 741 CB THR A 48 4.026 -9.362 -3.933 1.00 0.00 C ATOM 742 OG1 THR A 48 3.690 -8.061 -3.469 1.00 0.00 O ATOM 743 CG2 THR A 48 2.816 -10.287 -3.787 1.00 0.00 C ATOM 0 H THR A 48 4.516 -8.888 -1.359 1.00 0.00 H new ATOM 0 HA THR A 48 5.372 -10.957 -3.357 1.00 0.00 H new ATOM 0 HB THR A 48 4.314 -9.311 -4.983 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.591 -7.456 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.985 -9.894 -4.372 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.074 -11.283 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.526 -10.344 -2.738 1.00 0.00 H new ATOM 751 N ALA A 49 6.298 -7.825 -3.704 1.00 0.00 N ATOM 752 CA ALA A 49 7.473 -6.965 -4.053 1.00 0.00 C ATOM 753 C ALA A 49 7.390 -5.645 -3.284 1.00 0.00 C ATOM 754 O ALA A 49 6.883 -5.585 -2.179 1.00 0.00 O ATOM 755 CB ALA A 49 7.458 -6.678 -5.559 1.00 0.00 C ATOM 0 H ALA A 49 5.401 -7.340 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 49 8.395 -7.482 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.312 -6.052 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.516 -7.617 -6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.535 -6.160 -5.822 1.00 0.00 H new ATOM 761 N ARG A 50 7.894 -4.581 -3.860 1.00 0.00 N ATOM 762 CA ARG A 50 7.860 -3.258 -3.168 1.00 0.00 C ATOM 763 C ARG A 50 7.668 -2.135 -4.190 1.00 0.00 C ATOM 764 O ARG A 50 7.989 -2.280 -5.353 1.00 0.00 O ATOM 765 CB ARG A 50 9.181 -3.047 -2.423 1.00 0.00 C ATOM 766 CG ARG A 50 10.349 -3.165 -3.408 1.00 0.00 C ATOM 767 CD ARG A 50 11.666 -2.920 -2.669 1.00 0.00 C ATOM 768 NE ARG A 50 11.858 -3.980 -1.637 1.00 0.00 N ATOM 769 CZ ARG A 50 12.429 -5.113 -1.950 1.00 0.00 C ATOM 770 NH1 ARG A 50 12.829 -5.335 -3.171 1.00 0.00 N ATOM 771 NH2 ARG A 50 12.596 -6.030 -1.035 1.00 0.00 N ATOM 0 H ARG A 50 8.329 -4.573 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 50 7.029 -3.242 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.190 -2.066 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.285 -3.787 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.355 -4.155 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.233 -2.442 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.498 -2.927 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.655 -1.937 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 50 11.541 -3.819 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG A 50 12.697 -4.622 -3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.274 -6.222 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.281 -5.861 -0.080 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.041 -6.916 -1.276 1.00 0.00 H new ATOM 785 N ILE A 51 7.153 -1.010 -3.760 1.00 0.00 N ATOM 786 CA ILE A 51 6.946 0.132 -4.709 1.00 0.00 C ATOM 787 C ILE A 51 7.094 1.465 -3.965 1.00 0.00 C ATOM 788 O ILE A 51 7.067 1.520 -2.752 1.00 0.00 O ATOM 789 CB ILE A 51 5.547 0.040 -5.336 1.00 0.00 C ATOM 790 CG1 ILE A 51 5.425 1.062 -6.472 1.00 0.00 C ATOM 791 CG2 ILE A 51 4.480 0.335 -4.276 1.00 0.00 C ATOM 792 CD1 ILE A 51 4.180 0.755 -7.307 1.00 0.00 C ATOM 0 H ILE A 51 6.867 -0.831 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 51 7.697 0.079 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 51 5.399 -0.966 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.361 2.070 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.314 1.029 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.490 0.268 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.560 -0.392 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.630 1.339 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.095 1.483 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.263 -0.247 -7.729 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.295 0.810 -6.674 1.00 0.00 H new ATOM 804 N ARG A 52 7.246 2.544 -4.688 1.00 0.00 N ATOM 805 CA ARG A 52 7.391 3.877 -4.033 1.00 0.00 C ATOM 806 C ARG A 52 6.026 4.395 -3.587 1.00 0.00 C ATOM 807 O ARG A 52 5.024 4.191 -4.246 1.00 0.00 O ATOM 808 CB ARG A 52 8.013 4.868 -5.020 1.00 0.00 C ATOM 809 CG ARG A 52 9.470 4.487 -5.257 1.00 0.00 C ATOM 810 CD ARG A 52 10.102 5.442 -6.268 1.00 0.00 C ATOM 811 NE ARG A 52 11.530 5.068 -6.465 1.00 0.00 N ATOM 812 CZ ARG A 52 12.261 5.715 -7.327 1.00 0.00 C ATOM 813 NH1 ARG A 52 11.743 6.695 -8.012 1.00 0.00 N ATOM 814 NH2 ARG A 52 13.510 5.383 -7.498 1.00 0.00 N ATOM 0 H ARG A 52 7.276 2.559 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 52 8.036 3.774 -3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.463 4.857 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.949 5.882 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.021 4.522 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.531 3.463 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.567 5.394 -7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.028 6.469 -5.912 1.00 0.00 H new ATOM 0 HE ARG A 52 11.936 4.304 -5.924 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.766 6.954 -7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.314 7.203 -8.688 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.913 4.618 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.084 5.888 -8.173 1.00 0.00 H new ATOM 828 N ILE A 53 5.982 5.074 -2.466 1.00 0.00 N ATOM 829 CA ILE A 53 4.687 5.627 -1.958 1.00 0.00 C ATOM 830 C ILE A 53 4.892 7.068 -1.487 1.00 0.00 C ATOM 831 O ILE A 53 6.001 7.505 -1.230 1.00 0.00 O ATOM 832 CB ILE A 53 4.156 4.770 -0.794 1.00 0.00 C ATOM 833 CG1 ILE A 53 5.005 4.966 0.476 1.00 0.00 C ATOM 834 CG2 ILE A 53 4.179 3.295 -1.195 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.489 4.735 0.181 1.00 0.00 C ATOM 0 H ILE A 53 6.792 5.270 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 53 3.957 5.609 -2.767 1.00 0.00 H new ATOM 0 HB ILE A 53 3.135 5.085 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.860 5.974 0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.672 4.276 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.803 2.688 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.549 3.147 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.201 2.997 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.068 4.879 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.633 3.718 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.824 5.443 -0.577 1.00 0.00 H new ATOM 847 N SER A 54 3.821 7.808 -1.374 1.00 0.00 N ATOM 848 CA SER A 54 3.912 9.227 -0.917 1.00 0.00 C ATOM 849 C SER A 54 2.778 9.510 0.068 1.00 0.00 C ATOM 850 O SER A 54 1.661 9.067 -0.116 1.00 0.00 O ATOM 851 CB SER A 54 3.788 10.162 -2.121 1.00 0.00 C ATOM 852 OG SER A 54 4.757 9.804 -3.097 1.00 0.00 O ATOM 0 H SER A 54 2.876 7.486 -1.581 1.00 0.00 H new ATOM 0 HA SER A 54 4.872 9.394 -0.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.786 10.096 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.934 11.196 -1.809 1.00 0.00 H new ATOM 0 HG SER A 54 4.678 10.401 -3.870 1.00 0.00 H new ATOM 858 N SER A 55 3.063 10.250 1.111 1.00 0.00 N ATOM 859 CA SER A 55 2.019 10.585 2.132 1.00 0.00 C ATOM 860 C SER A 55 1.852 12.100 2.190 1.00 0.00 C ATOM 861 O SER A 55 2.768 12.816 2.537 1.00 0.00 O ATOM 862 CB SER A 55 2.472 10.070 3.500 1.00 0.00 C ATOM 863 OG SER A 55 3.252 11.068 4.143 1.00 0.00 O ATOM 0 H SER A 55 3.985 10.641 1.302 1.00 0.00 H new ATOM 0 HA SER A 55 1.071 10.120 1.863 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.606 9.819 4.112 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.055 9.156 3.383 1.00 0.00 H new ATOM 0 HG SER A 55 2.688 11.573 4.766 1.00 0.00 H new ATOM 869 N PHE A 56 0.693 12.597 1.842 1.00 0.00 N ATOM 870 CA PHE A 56 0.471 14.075 1.861 1.00 0.00 C ATOM 871 C PHE A 56 -0.210 14.493 3.169 1.00 0.00 C ATOM 872 O PHE A 56 -1.326 14.105 3.452 1.00 0.00 O ATOM 873 CB PHE A 56 -0.420 14.454 0.678 1.00 0.00 C ATOM 874 CG PHE A 56 0.366 14.289 -0.601 1.00 0.00 C ATOM 875 CD1 PHE A 56 0.384 13.052 -1.257 1.00 0.00 C ATOM 876 CD2 PHE A 56 1.089 15.367 -1.124 1.00 0.00 C ATOM 877 CE1 PHE A 56 1.122 12.894 -2.435 1.00 0.00 C ATOM 878 CE2 PHE A 56 1.829 15.208 -2.302 1.00 0.00 C ATOM 879 CZ PHE A 56 1.845 13.971 -2.958 1.00 0.00 C ATOM 0 H PHE A 56 -0.110 12.043 1.545 1.00 0.00 H new ATOM 0 HA PHE A 56 1.431 14.586 1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.308 13.823 0.658 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.763 15.484 0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.172 12.219 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.076 16.322 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.133 11.940 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.388 16.040 -2.705 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.415 13.849 -3.867 1.00 0.00 H new ATOM 889 N GLY A 57 0.452 15.294 3.961 1.00 0.00 N ATOM 890 CA GLY A 57 -0.161 15.754 5.243 1.00 0.00 C ATOM 891 C GLY A 57 -0.189 14.608 6.258 1.00 0.00 C ATOM 892 O GLY A 57 -0.424 14.817 7.432 1.00 0.00 O ATOM 0 H GLY A 57 1.390 15.650 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.407 16.592 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.174 16.113 5.062 1.00 0.00 H new ATOM 896 N LYS A 58 0.046 13.399 5.815 1.00 0.00 N ATOM 897 CA LYS A 58 0.030 12.229 6.751 1.00 0.00 C ATOM 898 C LYS A 58 1.466 11.800 7.050 1.00 0.00 C ATOM 899 O LYS A 58 2.145 11.228 6.222 1.00 0.00 O ATOM 900 CB LYS A 58 -0.734 11.070 6.102 1.00 0.00 C ATOM 901 CG LYS A 58 -2.176 11.497 5.786 1.00 0.00 C ATOM 902 CD LYS A 58 -2.944 11.781 7.086 1.00 0.00 C ATOM 903 CE LYS A 58 -4.451 11.729 6.822 1.00 0.00 C ATOM 904 NZ LYS A 58 -4.893 10.308 6.744 1.00 0.00 N ATOM 0 H LYS A 58 0.249 13.169 4.842 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.463 12.509 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.230 10.760 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.740 10.209 6.770 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.170 12.387 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.680 10.712 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.674 11.048 7.846 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.668 12.761 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.988 12.245 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.686 12.246 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.930 10.263 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.579 9.896 5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.478 9.772 7.532 1.00 0.00 H new ATOM 918 N GLN A 59 1.928 12.079 8.237 1.00 0.00 N ATOM 919 CA GLN A 59 3.316 11.703 8.619 1.00 0.00 C ATOM 920 C GLN A 59 3.403 10.191 8.824 1.00 0.00 C ATOM 921 O GLN A 59 2.474 9.563 9.292 1.00 0.00 O ATOM 922 CB GLN A 59 3.694 12.418 9.920 1.00 0.00 C ATOM 923 CG GLN A 59 5.117 12.029 10.327 1.00 0.00 C ATOM 924 CD GLN A 59 5.555 12.880 11.521 1.00 0.00 C ATOM 925 OE1 GLN A 59 4.976 13.913 11.791 1.00 0.00 O ATOM 926 NE2 GLN A 59 6.561 12.485 12.253 1.00 0.00 N ATOM 0 H GLN A 59 1.397 12.556 8.965 1.00 0.00 H new ATOM 0 HA GLN A 59 4.003 11.998 7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.626 13.498 9.786 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.993 12.150 10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.156 10.971 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.800 12.178 9.490 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.047 11.617 12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.861 13.044 13.052 1.00 0.00 H new ATOM 935 N LEU A 60 4.521 9.606 8.473 1.00 0.00 N ATOM 936 CA LEU A 60 4.704 8.129 8.636 1.00 0.00 C ATOM 937 C LEU A 60 5.991 7.870 9.419 1.00 0.00 C ATOM 938 O LEU A 60 6.907 8.670 9.407 1.00 0.00 O ATOM 939 CB LEU A 60 4.798 7.469 7.257 1.00 0.00 C ATOM 940 CG LEU A 60 3.496 7.700 6.478 1.00 0.00 C ATOM 941 CD1 LEU A 60 3.642 7.103 5.074 1.00 0.00 C ATOM 942 CD2 LEU A 60 2.315 7.028 7.207 1.00 0.00 C ATOM 0 H LEU A 60 5.324 10.094 8.076 1.00 0.00 H new ATOM 0 HA LEU A 60 3.855 7.709 9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.641 7.882 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.981 6.400 7.367 1.00 0.00 H new ATOM 0 HG LEU A 60 3.301 8.770 6.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.721 7.263 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.470 7.587 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.839 6.034 5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.396 7.198 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.499 5.956 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.214 7.454 8.205 1.00 0.00 H new ATOM 954 N GLN A 61 6.059 6.761 10.111 1.00 0.00 N ATOM 955 CA GLN A 61 7.276 6.435 10.916 1.00 0.00 C ATOM 956 C GLN A 61 8.083 5.338 10.217 1.00 0.00 C ATOM 957 O GLN A 61 7.539 4.421 9.632 1.00 0.00 O ATOM 958 CB GLN A 61 6.840 5.960 12.303 1.00 0.00 C ATOM 959 CG GLN A 61 6.235 7.139 13.066 1.00 0.00 C ATOM 960 CD GLN A 61 5.731 6.668 14.430 1.00 0.00 C ATOM 961 OE1 GLN A 61 5.909 5.523 14.797 1.00 0.00 O ATOM 962 NE2 GLN A 61 5.104 7.511 15.204 1.00 0.00 N ATOM 0 H GLN A 61 5.318 6.062 10.153 1.00 0.00 H new ATOM 0 HA GLN A 61 7.903 7.322 11.013 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.110 5.155 12.213 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.693 5.557 12.848 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.982 7.923 13.195 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.414 7.572 12.494 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.955 8.472 14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.763 7.209 16.117 1.00 0.00 H new ATOM 971 N ASP A 62 9.382 5.448 10.262 1.00 0.00 N ATOM 972 CA ASP A 62 10.258 4.444 9.593 1.00 0.00 C ATOM 973 C ASP A 62 10.133 3.076 10.271 1.00 0.00 C ATOM 974 O ASP A 62 10.097 2.966 11.480 1.00 0.00 O ATOM 975 CB ASP A 62 11.710 4.925 9.666 1.00 0.00 C ATOM 976 CG ASP A 62 12.610 3.975 8.875 1.00 0.00 C ATOM 977 OD1 ASP A 62 12.193 2.855 8.635 1.00 0.00 O ATOM 978 OD2 ASP A 62 13.706 4.383 8.524 1.00 0.00 O ATOM 0 H ASP A 62 9.880 6.199 10.739 1.00 0.00 H new ATOM 0 HA ASP A 62 9.949 4.339 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.789 5.935 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.036 4.969 10.705 1.00 0.00 H new ATOM 983 N SER A 63 10.082 2.035 9.482 1.00 0.00 N ATOM 984 CA SER A 63 9.976 0.650 10.033 1.00 0.00 C ATOM 985 C SER A 63 8.688 0.484 10.834 1.00 0.00 C ATOM 986 O SER A 63 8.692 0.504 12.048 1.00 0.00 O ATOM 987 CB SER A 63 11.179 0.355 10.928 1.00 0.00 C ATOM 988 OG SER A 63 12.364 0.791 10.279 1.00 0.00 O ATOM 0 H SER A 63 10.110 2.086 8.464 1.00 0.00 H new ATOM 0 HA SER A 63 9.960 -0.052 9.199 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.067 0.863 11.886 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.237 -0.713 11.138 1.00 0.00 H new ATOM 0 HG SER A 63 12.359 1.769 10.211 1.00 0.00 H new ATOM 994 N ASP A 64 7.589 0.299 10.155 1.00 0.00 N ATOM 995 CA ASP A 64 6.284 0.115 10.856 1.00 0.00 C ATOM 996 C ASP A 64 5.264 -0.484 9.884 1.00 0.00 C ATOM 997 O ASP A 64 5.046 0.026 8.797 1.00 0.00 O ATOM 998 CB ASP A 64 5.769 1.463 11.370 1.00 0.00 C ATOM 999 CG ASP A 64 6.590 1.900 12.587 1.00 0.00 C ATOM 1000 OD1 ASP A 64 6.840 1.064 13.439 1.00 0.00 O ATOM 1001 OD2 ASP A 64 6.963 3.059 12.640 1.00 0.00 O ATOM 0 H ASP A 64 7.538 0.267 9.137 1.00 0.00 H new ATOM 0 HA ASP A 64 6.425 -0.558 11.702 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.840 2.214 10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.716 1.382 11.640 1.00 0.00 H new ATOM 1006 N VAL A 65 4.641 -1.570 10.268 1.00 0.00 N ATOM 1007 CA VAL A 65 3.630 -2.210 9.380 1.00 0.00 C ATOM 1008 C VAL A 65 2.326 -1.424 9.470 1.00 0.00 C ATOM 1009 O VAL A 65 1.760 -1.264 10.534 1.00 0.00 O ATOM 1010 CB VAL A 65 3.390 -3.651 9.835 1.00 0.00 C ATOM 1011 CG1 VAL A 65 2.613 -4.409 8.756 1.00 0.00 C ATOM 1012 CG2 VAL A 65 4.737 -4.341 10.074 1.00 0.00 C ATOM 0 H VAL A 65 4.791 -2.040 11.161 1.00 0.00 H new ATOM 0 HA VAL A 65 3.990 -2.213 8.351 1.00 0.00 H new ATOM 0 HB VAL A 65 2.813 -3.647 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.444 -5.435 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.654 -3.919 8.586 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.187 -4.413 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.567 -5.368 10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.314 -4.343 9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.289 -3.804 10.845 1.00 0.00 H new ATOM 1022 N VAL A 66 1.846 -0.922 8.358 1.00 0.00 N ATOM 1023 CA VAL A 66 0.577 -0.133 8.372 1.00 0.00 C ATOM 1024 C VAL A 66 -0.293 -0.527 7.177 1.00 0.00 C ATOM 1025 O VAL A 66 0.182 -1.082 6.195 1.00 0.00 O ATOM 1026 CB VAL A 66 0.904 1.361 8.288 1.00 0.00 C ATOM 1027 CG1 VAL A 66 1.770 1.770 9.485 1.00 0.00 C ATOM 1028 CG2 VAL A 66 1.659 1.652 6.988 1.00 0.00 C ATOM 0 H VAL A 66 2.280 -1.025 7.441 1.00 0.00 H new ATOM 0 HA VAL A 66 0.037 -0.340 9.296 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.025 1.931 8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.000 2.834 9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.229 1.571 10.410 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.697 1.197 9.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.890 2.716 6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.585 1.078 6.969 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.040 1.370 6.137 1.00 0.00 H new ATOM 1038 N ARG A 67 -1.568 -0.230 7.256 1.00 0.00 N ATOM 1039 CA ARG A 67 -2.513 -0.556 6.145 1.00 0.00 C ATOM 1040 C ARG A 67 -3.091 0.745 5.593 1.00 0.00 C ATOM 1041 O ARG A 67 -3.586 1.577 6.329 1.00 0.00 O ATOM 1042 CB ARG A 67 -3.648 -1.433 6.682 1.00 0.00 C ATOM 1043 CG ARG A 67 -4.571 -1.837 5.530 1.00 0.00 C ATOM 1044 CD ARG A 67 -5.676 -2.752 6.062 1.00 0.00 C ATOM 1045 NE ARG A 67 -5.084 -4.052 6.481 1.00 0.00 N ATOM 1046 CZ ARG A 67 -5.848 -4.991 6.968 1.00 0.00 C ATOM 1047 NH1 ARG A 67 -7.129 -4.785 7.101 1.00 0.00 N ATOM 1048 NH2 ARG A 67 -5.328 -6.134 7.323 1.00 0.00 N ATOM 0 H ARG A 67 -1.999 0.232 8.057 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.987 -1.093 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.239 -2.322 7.163 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.212 -0.891 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.008 -0.950 5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.001 -2.349 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.179 -2.280 6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.430 -2.915 5.292 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.080 -4.209 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.533 -3.890 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.727 -5.519 7.482 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.326 -6.292 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.924 -6.869 7.704 1.00 0.00 H new ATOM 1062 N ILE A 68 -3.028 0.928 4.299 1.00 0.00 N ATOM 1063 CA ILE A 68 -3.564 2.178 3.677 1.00 0.00 C ATOM 1064 C ILE A 68 -4.864 1.849 2.945 1.00 0.00 C ATOM 1065 O ILE A 68 -4.914 0.955 2.123 1.00 0.00 O ATOM 1066 CB ILE A 68 -2.537 2.722 2.681 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.221 2.997 3.413 1.00 0.00 C ATOM 1068 CG2 ILE A 68 -3.055 4.024 2.065 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.123 3.305 2.394 1.00 0.00 C ATOM 0 H ILE A 68 -2.625 0.261 3.641 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.756 2.927 4.445 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.374 1.988 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.342 3.837 4.097 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.940 2.133 4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.321 4.408 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.995 3.833 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.219 4.759 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.814 3.501 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.005 2.452 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.403 4.182 1.811 1.00 0.00 H new ATOM 1081 N ASP A 69 -5.918 2.566 3.248 1.00 0.00 N ATOM 1082 CA ASP A 69 -7.238 2.312 2.590 1.00 0.00 C ATOM 1083 C ASP A 69 -7.575 3.467 1.646 1.00 0.00 C ATOM 1084 O ASP A 69 -7.317 4.623 1.941 1.00 0.00 O ATOM 1085 CB ASP A 69 -8.319 2.192 3.666 1.00 0.00 C ATOM 1086 CG ASP A 69 -8.110 0.893 4.449 1.00 0.00 C ATOM 1087 OD1 ASP A 69 -7.276 0.104 4.038 1.00 0.00 O ATOM 1088 OD2 ASP A 69 -8.789 0.710 5.447 1.00 0.00 O ATOM 0 H ASP A 69 -5.920 3.324 3.930 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.189 1.387 2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.274 3.048 4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.308 2.199 3.207 1.00 0.00 H new ATOM 1093 N ASN A 70 -8.147 3.148 0.512 1.00 0.00 N ATOM 1094 CA ASN A 70 -8.508 4.194 -0.486 1.00 0.00 C ATOM 1095 C ASN A 70 -7.235 4.894 -0.972 1.00 0.00 C ATOM 1096 O ASN A 70 -7.200 6.095 -1.150 1.00 0.00 O ATOM 1097 CB ASN A 70 -9.454 5.217 0.150 1.00 0.00 C ATOM 1098 CG ASN A 70 -10.157 6.020 -0.948 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -10.335 5.541 -2.050 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -10.566 7.232 -0.689 1.00 0.00 N ATOM 0 H ASN A 70 -8.381 2.195 0.235 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.011 3.727 -1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.191 4.708 0.771 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.895 5.887 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.035 7.777 -1.412 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.416 7.634 0.236 1.00 0.00 H new ATOM 1107 N ALA A 71 -6.192 4.142 -1.197 1.00 0.00 N ATOM 1108 CA ALA A 71 -4.920 4.745 -1.682 1.00 0.00 C ATOM 1109 C ALA A 71 -5.104 5.204 -3.129 1.00 0.00 C ATOM 1110 O ALA A 71 -5.836 4.596 -3.890 1.00 0.00 O ATOM 1111 CB ALA A 71 -3.798 3.702 -1.612 1.00 0.00 C ATOM 0 H ALA A 71 -6.167 3.131 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.656 5.598 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.867 4.144 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.672 3.371 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.056 2.848 -2.238 1.00 0.00 H new ATOM 1117 N ARG A 72 -4.442 6.266 -3.517 1.00 0.00 N ATOM 1118 CA ARG A 72 -4.569 6.776 -4.919 1.00 0.00 C ATOM 1119 C ARG A 72 -3.327 6.385 -5.721 1.00 0.00 C ATOM 1120 O ARG A 72 -2.209 6.669 -5.337 1.00 0.00 O ATOM 1121 CB ARG A 72 -4.703 8.301 -4.893 1.00 0.00 C ATOM 1122 CG ARG A 72 -4.886 8.828 -6.318 1.00 0.00 C ATOM 1123 CD ARG A 72 -5.225 10.319 -6.268 1.00 0.00 C ATOM 1124 NE ARG A 72 -6.580 10.499 -5.680 1.00 0.00 N ATOM 1125 CZ ARG A 72 -7.063 11.697 -5.503 1.00 0.00 C ATOM 1126 NH1 ARG A 72 -6.356 12.740 -5.840 1.00 0.00 N ATOM 1127 NH2 ARG A 72 -8.252 11.851 -4.990 1.00 0.00 N ATOM 0 H ARG A 72 -3.815 6.805 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.452 6.340 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.554 8.590 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.816 8.746 -4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.975 8.670 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.682 8.279 -6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.484 10.852 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.192 10.744 -7.271 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.132 9.683 -5.415 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.426 12.618 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.733 13.678 -5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.804 11.034 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.630 12.788 -4.851 1.00 0.00 H new ATOM 1141 N VAL A 73 -3.520 5.730 -6.835 1.00 0.00 N ATOM 1142 CA VAL A 73 -2.362 5.309 -7.678 1.00 0.00 C ATOM 1143 C VAL A 73 -1.974 6.446 -8.626 1.00 0.00 C ATOM 1144 O VAL A 73 -2.811 7.037 -9.279 1.00 0.00 O ATOM 1145 CB VAL A 73 -2.746 4.075 -8.496 1.00 0.00 C ATOM 1146 CG1 VAL A 73 -1.505 3.516 -9.196 1.00 0.00 C ATOM 1147 CG2 VAL A 73 -3.333 3.009 -7.568 1.00 0.00 C ATOM 0 H VAL A 73 -4.436 5.467 -7.200 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.516 5.070 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.488 4.354 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.781 2.637 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.089 4.274 -9.859 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.761 3.238 -8.450 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.607 2.130 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.592 2.731 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.219 3.406 -7.073 1.00 0.00 H new ATOM 1157 N ALA A 74 -0.706 6.753 -8.709 1.00 0.00 N ATOM 1158 CA ALA A 74 -0.251 7.849 -9.615 1.00 0.00 C ATOM 1159 C ALA A 74 1.109 7.479 -10.207 1.00 0.00 C ATOM 1160 O ALA A 74 1.871 6.736 -9.616 1.00 0.00 O ATOM 1161 CB ALA A 74 -0.123 9.150 -8.817 1.00 0.00 C ATOM 0 H ALA A 74 0.037 6.290 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.976 7.986 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.209 9.951 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.091 9.411 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.604 9.015 -8.016 1.00 0.00 H new ATOM 1167 N GLN A 75 1.419 7.989 -11.376 1.00 0.00 N ATOM 1168 CA GLN A 75 2.730 7.672 -12.025 1.00 0.00 C ATOM 1169 C GLN A 75 3.644 8.896 -11.957 1.00 0.00 C ATOM 1170 O GLN A 75 3.310 9.960 -12.438 1.00 0.00 O ATOM 1171 CB GLN A 75 2.489 7.298 -13.490 1.00 0.00 C ATOM 1172 CG GLN A 75 3.818 6.927 -14.154 1.00 0.00 C ATOM 1173 CD GLN A 75 3.556 6.464 -15.588 1.00 0.00 C ATOM 1174 OE1 GLN A 75 3.048 7.213 -16.398 1.00 0.00 O ATOM 1175 NE2 GLN A 75 3.883 5.250 -15.938 1.00 0.00 N ATOM 0 H GLN A 75 0.816 8.615 -11.910 1.00 0.00 H new ATOM 0 HA GLN A 75 3.203 6.839 -11.505 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.794 6.460 -13.552 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.029 8.133 -14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.490 7.786 -14.154 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.312 6.136 -13.589 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.310 4.621 -15.258 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.712 4.931 -16.891 1.00 0.00 H new ATOM 1184 N PHE A 76 4.801 8.741 -11.360 1.00 0.00 N ATOM 1185 CA PHE A 76 5.770 9.877 -11.244 1.00 0.00 C ATOM 1186 C PHE A 76 7.123 9.444 -11.809 1.00 0.00 C ATOM 1187 O PHE A 76 7.568 8.334 -11.598 1.00 0.00 O ATOM 1188 CB PHE A 76 5.924 10.269 -9.771 1.00 0.00 C ATOM 1189 CG PHE A 76 4.698 11.037 -9.329 1.00 0.00 C ATOM 1190 CD1 PHE A 76 4.505 12.350 -9.776 1.00 0.00 C ATOM 1191 CD2 PHE A 76 3.756 10.441 -8.481 1.00 0.00 C ATOM 1192 CE1 PHE A 76 3.372 13.066 -9.378 1.00 0.00 C ATOM 1193 CE2 PHE A 76 2.621 11.159 -8.083 1.00 0.00 C ATOM 1194 CZ PHE A 76 2.429 12.472 -8.531 1.00 0.00 C ATOM 0 H PHE A 76 5.119 7.866 -10.943 1.00 0.00 H new ATOM 0 HA PHE A 76 5.400 10.735 -11.806 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.050 9.378 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.818 10.878 -9.636 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.232 12.810 -10.429 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.905 9.429 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.224 14.078 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.893 10.700 -7.430 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.554 13.026 -8.223 1.00 0.00 H new ATOM 1204 N ASN A 77 7.772 10.314 -12.536 1.00 0.00 N ATOM 1205 CA ASN A 77 9.094 9.963 -13.133 1.00 0.00 C ATOM 1206 C ASN A 77 8.949 8.703 -13.992 1.00 0.00 C ATOM 1207 O ASN A 77 9.902 7.990 -14.233 1.00 0.00 O ATOM 1208 CB ASN A 77 10.122 9.720 -12.023 1.00 0.00 C ATOM 1209 CG ASN A 77 11.494 9.447 -12.643 1.00 0.00 C ATOM 1210 OD1 ASN A 77 11.837 10.012 -13.663 1.00 0.00 O ATOM 1211 ND2 ASN A 77 12.301 8.599 -12.066 1.00 0.00 N ATOM 0 H ASN A 77 7.442 11.257 -12.743 1.00 0.00 H new ATOM 0 HA ASN A 77 9.437 10.789 -13.757 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.175 10.588 -11.366 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.815 8.874 -11.408 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.218 8.411 -12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.015 8.124 -11.210 1.00 0.00 H new ATOM 1218 N GLY A 78 7.764 8.433 -14.466 1.00 0.00 N ATOM 1219 CA GLY A 78 7.553 7.229 -15.321 1.00 0.00 C ATOM 1220 C GLY A 78 7.468 5.973 -14.450 1.00 0.00 C ATOM 1221 O GLY A 78 7.450 4.865 -14.950 1.00 0.00 O ATOM 0 H GLY A 78 6.930 8.995 -14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.637 7.341 -15.901 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.372 7.132 -16.034 1.00 0.00 H new ATOM 1225 N TYR A 79 7.417 6.137 -13.152 1.00 0.00 N ATOM 1226 CA TYR A 79 7.334 4.960 -12.226 1.00 0.00 C ATOM 1227 C TYR A 79 6.030 5.022 -11.429 1.00 0.00 C ATOM 1228 O TYR A 79 5.599 6.072 -10.993 1.00 0.00 O ATOM 1229 CB TYR A 79 8.533 4.981 -11.277 1.00 0.00 C ATOM 1230 CG TYR A 79 9.788 4.700 -12.070 1.00 0.00 C ATOM 1231 CD1 TYR A 79 10.090 3.390 -12.458 1.00 0.00 C ATOM 1232 CD2 TYR A 79 10.643 5.748 -12.428 1.00 0.00 C ATOM 1233 CE1 TYR A 79 11.248 3.129 -13.201 1.00 0.00 C ATOM 1234 CE2 TYR A 79 11.800 5.489 -13.170 1.00 0.00 C ATOM 1235 CZ TYR A 79 12.103 4.178 -13.558 1.00 0.00 C ATOM 1236 OH TYR A 79 13.242 3.921 -14.292 1.00 0.00 O ATOM 0 H TYR A 79 7.429 7.045 -12.687 1.00 0.00 H new ATOM 0 HA TYR A 79 7.349 4.036 -12.804 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.607 5.951 -10.784 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.407 4.234 -10.493 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.430 2.580 -12.184 1.00 0.00 H new ATOM 0 HD2 TYR A 79 10.409 6.760 -12.131 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.481 2.117 -13.499 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.459 6.300 -13.444 1.00 0.00 H new ATOM 0 HH TYR A 79 13.722 4.760 -14.455 1.00 0.00 H new ATOM 1246 N LEU A 80 5.392 3.896 -11.255 1.00 0.00 N ATOM 1247 CA LEU A 80 4.103 3.862 -10.510 1.00 0.00 C ATOM 1248 C LEU A 80 4.354 3.996 -9.006 1.00 0.00 C ATOM 1249 O LEU A 80 5.331 3.505 -8.477 1.00 0.00 O ATOM 1250 CB LEU A 80 3.401 2.533 -10.793 1.00 0.00 C ATOM 1251 CG LEU A 80 3.165 2.382 -12.301 1.00 0.00 C ATOM 1252 CD1 LEU A 80 2.548 1.009 -12.576 1.00 0.00 C ATOM 1253 CD2 LEU A 80 2.215 3.488 -12.804 1.00 0.00 C ATOM 0 H LEU A 80 5.712 2.991 -11.600 1.00 0.00 H new ATOM 0 HA LEU A 80 3.478 4.693 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.008 1.705 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.451 2.492 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 80 4.116 2.472 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.377 0.895 -13.646 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.227 0.229 -12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.599 0.924 -12.046 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.055 3.370 -13.876 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.260 3.412 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.658 4.465 -12.608 1.00 0.00 H new ATOM 1265 N SER A 81 3.462 4.656 -8.316 1.00 0.00 N ATOM 1266 CA SER A 81 3.617 4.828 -6.843 1.00 0.00 C ATOM 1267 C SER A 81 2.238 5.042 -6.215 1.00 0.00 C ATOM 1268 O SER A 81 1.286 5.390 -6.888 1.00 0.00 O ATOM 1269 CB SER A 81 4.512 6.037 -6.552 1.00 0.00 C ATOM 1270 OG SER A 81 4.033 7.162 -7.276 1.00 0.00 O ATOM 0 H SER A 81 2.627 5.086 -8.713 1.00 0.00 H new ATOM 0 HA SER A 81 4.078 3.936 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.515 6.252 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.541 5.819 -6.836 1.00 0.00 H new ATOM 0 HG SER A 81 4.783 7.754 -7.494 1.00 0.00 H new ATOM 1276 N LEU A 82 2.122 4.826 -4.929 1.00 0.00 N ATOM 1277 CA LEU A 82 0.806 5.003 -4.239 1.00 0.00 C ATOM 1278 C LEU A 82 0.831 6.297 -3.426 1.00 0.00 C ATOM 1279 O LEU A 82 1.710 6.518 -2.616 1.00 0.00 O ATOM 1280 CB LEU A 82 0.566 3.817 -3.299 1.00 0.00 C ATOM 1281 CG LEU A 82 0.630 2.502 -4.091 1.00 0.00 C ATOM 1282 CD1 LEU A 82 0.435 1.324 -3.131 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -0.472 2.480 -5.165 1.00 0.00 C ATOM 0 H LEU A 82 2.888 4.532 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 82 0.007 5.052 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.315 3.812 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.407 3.915 -2.817 1.00 0.00 H new ATOM 0 HG LEU A 82 1.602 2.422 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.480 0.389 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.222 1.335 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.536 1.409 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.419 1.544 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.448 2.563 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.331 3.317 -5.849 1.00 0.00 H new ATOM 1295 N SER A 83 -0.132 7.157 -3.644 1.00 0.00 N ATOM 1296 CA SER A 83 -0.193 8.453 -2.899 1.00 0.00 C ATOM 1297 C SER A 83 -1.357 8.421 -1.909 1.00 0.00 C ATOM 1298 O SER A 83 -2.457 8.020 -2.241 1.00 0.00 O ATOM 1299 CB SER A 83 -0.417 9.590 -3.898 1.00 0.00 C ATOM 1300 OG SER A 83 -1.496 9.251 -4.759 1.00 0.00 O ATOM 0 H SER A 83 -0.888 7.015 -4.314 1.00 0.00 H new ATOM 0 HA SER A 83 0.740 8.608 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.636 10.517 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.488 9.762 -4.480 1.00 0.00 H new ATOM 0 HG SER A 83 -1.644 9.978 -5.400 1.00 0.00 H new ATOM 1306 N VAL A 84 -1.128 8.850 -0.695 1.00 0.00 N ATOM 1307 CA VAL A 84 -2.219 8.861 0.327 1.00 0.00 C ATOM 1308 C VAL A 84 -2.770 10.284 0.443 1.00 0.00 C ATOM 1309 O VAL A 84 -2.077 11.199 0.856 1.00 0.00 O ATOM 1310 CB VAL A 84 -1.650 8.407 1.674 1.00 0.00 C ATOM 1311 CG1 VAL A 84 -2.790 8.141 2.660 1.00 0.00 C ATOM 1312 CG2 VAL A 84 -0.832 7.125 1.473 1.00 0.00 C ATOM 0 H VAL A 84 -0.227 9.195 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.021 8.184 0.033 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.009 9.191 2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.377 7.818 3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.367 9.054 2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.439 7.360 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.425 6.799 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.474 6.344 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.014 7.320 0.779 1.00 0.00 H new ATOM 1322 N GLY A 85 -4.007 10.479 0.060 1.00 0.00 N ATOM 1323 CA GLY A 85 -4.617 11.841 0.119 1.00 0.00 C ATOM 1324 C GLY A 85 -5.250 12.087 1.489 1.00 0.00 C ATOM 1325 O GLY A 85 -5.291 11.220 2.338 1.00 0.00 O ATOM 0 H GLY A 85 -4.624 9.747 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.855 12.596 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.373 11.941 -0.660 1.00 0.00 H new ATOM 1329 N ASP A 86 -5.746 13.274 1.701 1.00 0.00 N ATOM 1330 CA ASP A 86 -6.385 13.609 3.004 1.00 0.00 C ATOM 1331 C ASP A 86 -7.680 12.807 3.169 1.00 0.00 C ATOM 1332 O ASP A 86 -8.140 12.574 4.270 1.00 0.00 O ATOM 1333 CB ASP A 86 -6.705 15.105 3.037 1.00 0.00 C ATOM 1334 CG ASP A 86 -7.583 15.466 1.836 1.00 0.00 C ATOM 1335 OD1 ASP A 86 -7.815 14.595 1.014 1.00 0.00 O ATOM 1336 OD2 ASP A 86 -8.006 16.608 1.758 1.00 0.00 O ATOM 0 H ASP A 86 -5.736 14.034 1.020 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.703 13.359 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.218 15.358 3.965 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.783 15.686 3.014 1.00 0.00 H new ATOM 1341 N SER A 87 -8.275 12.389 2.084 1.00 0.00 N ATOM 1342 CA SER A 87 -9.545 11.608 2.176 1.00 0.00 C ATOM 1343 C SER A 87 -9.224 10.130 2.410 1.00 0.00 C ATOM 1344 O SER A 87 -10.103 9.320 2.631 1.00 0.00 O ATOM 1345 CB SER A 87 -10.330 11.754 0.870 1.00 0.00 C ATOM 1346 OG SER A 87 -10.702 13.114 0.692 1.00 0.00 O ATOM 0 H SER A 87 -7.937 12.554 1.136 1.00 0.00 H new ATOM 0 HA SER A 87 -10.141 11.987 3.006 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.723 11.418 0.029 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.218 11.123 0.894 1.00 0.00 H new ATOM 0 HG SER A 87 -11.203 13.209 -0.145 1.00 0.00 H new ATOM 1352 N SER A 88 -7.971 9.772 2.362 1.00 0.00 N ATOM 1353 CA SER A 88 -7.589 8.348 2.577 1.00 0.00 C ATOM 1354 C SER A 88 -7.527 8.050 4.076 1.00 0.00 C ATOM 1355 O SER A 88 -7.608 8.943 4.897 1.00 0.00 O ATOM 1356 CB SER A 88 -6.216 8.088 1.955 1.00 0.00 C ATOM 1357 OG SER A 88 -5.820 6.752 2.232 1.00 0.00 O ATOM 0 H SER A 88 -7.193 10.406 2.183 1.00 0.00 H new ATOM 0 HA SER A 88 -8.333 7.703 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.255 8.252 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.483 8.787 2.358 1.00 0.00 H new ATOM 0 HG SER A 88 -6.529 6.136 1.952 1.00 0.00 H new ATOM 1363 N ARG A 89 -7.385 6.797 4.435 1.00 0.00 N ATOM 1364 CA ARG A 89 -7.317 6.419 5.885 1.00 0.00 C ATOM 1365 C ARG A 89 -6.127 5.486 6.121 1.00 0.00 C ATOM 1366 O ARG A 89 -5.829 4.626 5.314 1.00 0.00 O ATOM 1367 CB ARG A 89 -8.616 5.711 6.281 1.00 0.00 C ATOM 1368 CG ARG A 89 -9.769 6.720 6.277 1.00 0.00 C ATOM 1369 CD ARG A 89 -11.089 5.988 6.523 1.00 0.00 C ATOM 1370 NE ARG A 89 -11.062 5.351 7.872 1.00 0.00 N ATOM 1371 CZ ARG A 89 -11.422 6.027 8.931 1.00 0.00 C ATOM 1372 NH1 ARG A 89 -11.780 7.277 8.822 1.00 0.00 N ATOM 1373 NH2 ARG A 89 -11.415 5.452 10.101 1.00 0.00 N ATOM 0 H ARG A 89 -7.313 6.015 3.784 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.190 7.316 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.827 4.899 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.513 5.265 7.270 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.610 7.473 7.048 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.804 7.244 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.923 6.687 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.246 5.231 5.755 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.761 4.381 7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.780 7.730 7.908 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.060 7.801 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.129 4.477 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.695 5.977 10.929 1.00 0.00 H new ATOM 1387 N ILE A 90 -5.445 5.656 7.230 1.00 0.00 N ATOM 1388 CA ILE A 90 -4.263 4.794 7.554 1.00 0.00 C ATOM 1389 C ILE A 90 -4.510 4.068 8.877 1.00 0.00 C ATOM 1390 O ILE A 90 -4.880 4.669 9.866 1.00 0.00 O ATOM 1391 CB ILE A 90 -3.013 5.670 7.685 1.00 0.00 C ATOM 1392 CG1 ILE A 90 -2.687 6.301 6.327 1.00 0.00 C ATOM 1393 CG2 ILE A 90 -1.831 4.817 8.153 1.00 0.00 C ATOM 1394 CD1 ILE A 90 -1.615 7.381 6.500 1.00 0.00 C ATOM 0 H ILE A 90 -5.660 6.364 7.932 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.117 4.065 6.757 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.198 6.457 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.336 5.535 5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -3.587 6.736 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.944 5.444 8.245 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.063 4.373 9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.643 4.026 7.427 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.387 7.826 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.982 8.153 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.712 6.934 6.915 1.00 0.00 H new ATOM 1406 N GLU A 91 -4.301 2.774 8.897 1.00 0.00 N ATOM 1407 CA GLU A 91 -4.510 1.975 10.147 1.00 0.00 C ATOM 1408 C GLU A 91 -3.205 1.276 10.526 1.00 0.00 C ATOM 1409 O GLU A 91 -2.659 0.496 9.771 1.00 0.00 O ATOM 1410 CB GLU A 91 -5.606 0.937 9.902 1.00 0.00 C ATOM 1411 CG GLU A 91 -6.950 1.652 9.755 1.00 0.00 C ATOM 1412 CD GLU A 91 -8.040 0.639 9.406 1.00 0.00 C ATOM 1413 OE1 GLU A 91 -7.722 -0.534 9.307 1.00 0.00 O ATOM 1414 OE2 GLU A 91 -9.176 1.054 9.242 1.00 0.00 O ATOM 0 H GLU A 91 -3.991 2.231 8.091 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.812 2.633 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.385 0.363 9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.645 0.229 10.730 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.202 2.166 10.682 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.885 2.412 8.977 1.00 0.00 H new ATOM 1421 N SER A 92 -2.699 1.562 11.693 1.00 0.00 N ATOM 1422 CA SER A 92 -1.426 0.931 12.137 1.00 0.00 C ATOM 1423 C SER A 92 -1.674 -0.519 12.556 1.00 0.00 C ATOM 1424 O SER A 92 -2.719 -0.856 13.081 1.00 0.00 O ATOM 1425 CB SER A 92 -0.859 1.715 13.322 1.00 0.00 C ATOM 1426 OG SER A 92 -0.860 3.103 13.011 1.00 0.00 O ATOM 0 H SER A 92 -3.116 2.210 12.362 1.00 0.00 H new ATOM 0 HA SER A 92 -0.714 0.944 11.311 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.457 1.530 14.215 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.155 1.381 13.542 1.00 0.00 H new ATOM 0 HG SER A 92 -0.499 3.608 13.769 1.00 0.00 H new ATOM 1432 N VAL A 93 -0.709 -1.376 12.340 1.00 0.00 N ATOM 1433 CA VAL A 93 -0.857 -2.812 12.732 1.00 0.00 C ATOM 1434 C VAL A 93 0.446 -3.278 13.386 1.00 0.00 C ATOM 1435 O VAL A 93 1.113 -4.172 12.903 1.00 0.00 O ATOM 1436 CB VAL A 93 -1.136 -3.658 11.488 1.00 0.00 C ATOM 1437 CG1 VAL A 93 -1.539 -5.073 11.913 1.00 0.00 C ATOM 1438 CG2 VAL A 93 -2.277 -3.022 10.690 1.00 0.00 C ATOM 0 H VAL A 93 0.183 -1.141 11.905 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.686 -2.923 13.431 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.239 -3.706 10.870 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.738 -5.676 11.027 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.729 -5.525 12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.437 -5.026 12.529 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.479 -3.622 9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.173 -2.977 11.309 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.993 -2.014 10.389 1.00 0.00 H new ATOM 1448 N ASN A 94 0.815 -2.672 14.484 1.00 0.00 N ATOM 1449 CA ASN A 94 2.077 -3.064 15.182 1.00 0.00 C ATOM 1450 C ASN A 94 1.759 -4.059 16.299 1.00 0.00 C ATOM 1451 O ASN A 94 2.635 -4.492 17.020 1.00 0.00 O ATOM 1452 CB ASN A 94 2.723 -1.817 15.793 1.00 0.00 C ATOM 1453 CG ASN A 94 3.266 -0.912 14.684 1.00 0.00 C ATOM 1454 OD1 ASN A 94 3.733 -1.446 13.587 1.00 0.00 O flip ATOM 1455 ND2 ASN A 94 3.273 0.295 14.819 1.00 0.00 N flip ATOM 0 H ASN A 94 0.294 -1.918 14.931 1.00 0.00 H new ATOM 0 HA ASN A 94 2.758 -3.524 14.466 1.00 0.00 H new ATOM 0 HB2 ASN A 94 1.991 -1.274 16.391 1.00 0.00 H new ATOM 0 HB3 ASN A 94 3.531 -2.108 16.465 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.909 0.715 15.674 1.00 0.00 H new ATOM 0 HD22 ASN A 94 3.643 0.889 14.077 1.00 0.00 H new ATOM 1462 N VAL A 95 0.508 -4.423 16.446 1.00 0.00 N ATOM 1463 CA VAL A 95 0.111 -5.394 17.517 1.00 0.00 C ATOM 1464 C VAL A 95 -0.531 -6.621 16.869 1.00 0.00 C ATOM 1465 O VAL A 95 -1.424 -6.508 16.052 1.00 0.00 O ATOM 1466 CB VAL A 95 -0.898 -4.722 18.455 1.00 0.00 C ATOM 1467 CG1 VAL A 95 -1.511 -5.763 19.397 1.00 0.00 C ATOM 1468 CG2 VAL A 95 -0.184 -3.646 19.277 1.00 0.00 C ATOM 0 H VAL A 95 -0.261 -4.087 15.866 1.00 0.00 H new ATOM 0 HA VAL A 95 0.989 -5.700 18.085 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.692 -4.267 17.863 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.227 -5.277 20.060 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.020 -6.528 18.811 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.723 -6.225 19.991 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.898 -3.165 19.946 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.611 -4.105 19.865 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.244 -2.900 18.607 1.00 0.00 H new ATOM 1478 N ASN A 96 -0.086 -7.795 17.237 1.00 0.00 N ATOM 1479 CA ASN A 96 -0.666 -9.046 16.661 1.00 0.00 C ATOM 1480 C ASN A 96 -1.642 -9.654 17.669 1.00 0.00 C ATOM 1481 O ASN A 96 -1.565 -10.820 18.000 1.00 0.00 O ATOM 1482 CB ASN A 96 0.460 -10.041 16.368 1.00 0.00 C ATOM 1483 CG ASN A 96 1.198 -10.385 17.664 1.00 0.00 C ATOM 1484 OD1 ASN A 96 0.735 -10.069 18.742 1.00 0.00 O ATOM 1485 ND2 ASN A 96 2.333 -11.026 17.604 1.00 0.00 N ATOM 0 H ASN A 96 0.660 -7.942 17.917 1.00 0.00 H new ATOM 0 HA ASN A 96 -1.193 -8.818 15.735 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.050 -10.947 15.921 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.155 -9.615 15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.832 -11.262 18.462 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.722 -11.291 16.699 1.00 0.00 H new ATOM 1492 N ILE A 97 -2.564 -8.865 18.159 1.00 0.00 N ATOM 1493 CA ILE A 97 -3.557 -9.380 19.150 1.00 0.00 C ATOM 1494 C ILE A 97 -4.914 -8.716 18.899 1.00 0.00 C ATOM 1495 O ILE A 97 -5.373 -7.914 19.686 1.00 0.00 O ATOM 1496 CB ILE A 97 -3.089 -9.042 20.567 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -1.624 -9.460 20.729 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -3.954 -9.793 21.585 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -1.200 -9.305 22.192 1.00 0.00 C ATOM 0 H ILE A 97 -2.672 -7.881 17.914 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.648 -10.461 19.043 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.183 -7.969 20.737 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.494 -10.494 20.411 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.988 -8.847 20.090 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.620 -9.552 22.594 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.996 -9.496 21.467 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.862 -10.866 21.419 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.157 -9.603 22.302 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.314 -8.264 22.495 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.827 -9.937 22.821 1.00 0.00 H new ATOM 1511 N PRO A 98 -5.553 -9.056 17.810 1.00 0.00 N ATOM 1512 CA PRO A 98 -6.884 -8.493 17.448 1.00 0.00 C ATOM 1513 C PRO A 98 -8.012 -9.205 18.203 1.00 0.00 C ATOM 1514 O PRO A 98 -9.178 -8.893 18.052 1.00 0.00 O ATOM 1515 CB PRO A 98 -6.976 -8.757 15.941 1.00 0.00 C ATOM 1516 CG PRO A 98 -6.173 -10.003 15.721 1.00 0.00 C ATOM 1517 CD PRO A 98 -5.074 -10.016 16.799 1.00 0.00 C ATOM 0 HA PRO A 98 -6.985 -7.439 17.705 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.011 -8.892 15.626 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -6.575 -7.921 15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -6.803 -10.889 15.800 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -5.736 -10.011 14.722 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -4.944 -11.011 17.224 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -4.110 -9.716 16.389 1.00 0.00 H new ATOM 1525 N LEU A 99 -7.662 -10.169 19.006 1.00 0.00 N ATOM 1526 CA LEU A 99 -8.686 -10.928 19.772 1.00 0.00 C ATOM 1527 C LEU A 99 -9.272 -10.051 20.883 1.00 0.00 C ATOM 1528 O LEU A 99 -8.600 -9.217 21.456 1.00 0.00 O ATOM 1529 CB LEU A 99 -8.025 -12.162 20.393 1.00 0.00 C ATOM 1530 CG LEU A 99 -7.344 -12.996 19.302 1.00 0.00 C ATOM 1531 CD1 LEU A 99 -6.650 -14.198 19.949 1.00 0.00 C ATOM 1532 CD2 LEU A 99 -8.388 -13.490 18.286 1.00 0.00 C ATOM 0 H LEU A 99 -6.699 -10.466 19.166 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.490 -11.230 19.101 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.292 -11.855 21.139 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.773 -12.764 20.909 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.610 -12.380 18.783 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.163 -14.796 19.178 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.903 -13.847 20.661 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.389 -14.808 20.469 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.894 -14.081 17.515 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.129 -14.105 18.796 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.881 -12.634 17.826 1.00 0.00 H new ATOM 1544 N GLU A 100 -10.526 -10.247 21.189 1.00 0.00 N ATOM 1545 CA GLU A 100 -11.185 -9.446 22.263 1.00 0.00 C ATOM 1546 C GLU A 100 -11.107 -7.951 21.924 1.00 0.00 C ATOM 1547 O GLU A 100 -11.558 -7.519 20.881 1.00 0.00 O ATOM 1548 CB GLU A 100 -10.484 -9.714 23.600 1.00 0.00 C ATOM 1549 CG GLU A 100 -11.370 -9.233 24.756 1.00 0.00 C ATOM 1550 CD GLU A 100 -12.539 -10.201 24.948 1.00 0.00 C ATOM 1551 OE1 GLU A 100 -12.540 -11.235 24.300 1.00 0.00 O ATOM 1552 OE2 GLU A 100 -13.414 -9.892 25.740 1.00 0.00 O ATOM 0 H GLU A 100 -11.129 -10.934 20.737 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.233 -9.736 22.338 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.278 -10.779 23.706 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.524 -9.199 23.627 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -10.784 -9.169 25.673 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.745 -8.231 24.547 1.00 0.00 H new ATOM 1559 N HIS A 101 -10.551 -7.158 22.803 1.00 0.00 N ATOM 1560 CA HIS A 101 -10.455 -5.689 22.550 1.00 0.00 C ATOM 1561 C HIS A 101 -11.787 -5.171 22.001 1.00 0.00 C ATOM 1562 O HIS A 101 -12.689 -4.841 22.745 1.00 0.00 O ATOM 1563 CB HIS A 101 -9.340 -5.412 21.539 1.00 0.00 C ATOM 1564 CG HIS A 101 -8.017 -5.800 22.138 1.00 0.00 C ATOM 1565 ND1 HIS A 101 -6.838 -5.768 21.412 1.00 0.00 N ATOM 1566 CD2 HIS A 101 -7.672 -6.239 23.393 1.00 0.00 C ATOM 1567 CE1 HIS A 101 -5.848 -6.177 22.227 1.00 0.00 C ATOM 1568 NE2 HIS A 101 -6.302 -6.476 23.446 1.00 0.00 N ATOM 0 H HIS A 101 -10.157 -7.467 23.691 1.00 0.00 H new ATOM 0 HA HIS A 101 -10.228 -5.178 23.486 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.516 -5.975 20.623 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.334 -4.356 21.268 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.360 -6.379 24.214 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.812 -6.254 21.931 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -5.761 -6.807 24.245 1.00 0.00 H new ATOM 1576 N HIS A 102 -11.919 -5.104 20.704 1.00 0.00 N ATOM 1577 CA HIS A 102 -13.194 -4.615 20.105 1.00 0.00 C ATOM 1578 C HIS A 102 -13.346 -5.192 18.696 1.00 0.00 C ATOM 1579 O HIS A 102 -12.376 -5.519 18.040 1.00 0.00 O ATOM 1580 CB HIS A 102 -13.181 -3.084 20.043 1.00 0.00 C ATOM 1581 CG HIS A 102 -12.013 -2.613 19.221 1.00 0.00 C ATOM 1582 ND1 HIS A 102 -10.713 -2.628 19.705 1.00 0.00 N ATOM 1583 CD2 HIS A 102 -11.935 -2.097 17.951 1.00 0.00 C ATOM 1584 CE1 HIS A 102 -9.916 -2.133 18.740 1.00 0.00 C ATOM 1585 NE2 HIS A 102 -10.610 -1.795 17.649 1.00 0.00 N ATOM 0 H HIS A 102 -11.198 -5.367 20.032 1.00 0.00 H new ATOM 0 HA HIS A 102 -14.034 -4.938 20.720 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -14.112 -2.721 19.608 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -13.118 -2.671 21.050 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -12.774 -1.948 17.287 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -8.846 -2.022 18.836 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -10.247 -1.400 16.781 1.00 0.00 H new ATOM 1593 N HIS A 103 -14.561 -5.331 18.227 1.00 0.00 N ATOM 1594 CA HIS A 103 -14.786 -5.899 16.862 1.00 0.00 C ATOM 1595 C HIS A 103 -14.960 -4.767 15.850 1.00 0.00 C ATOM 1596 O HIS A 103 -15.831 -3.928 15.977 1.00 0.00 O ATOM 1597 CB HIS A 103 -16.048 -6.764 16.875 1.00 0.00 C ATOM 1598 CG HIS A 103 -17.184 -5.993 17.490 1.00 0.00 C ATOM 1599 ND1 HIS A 103 -18.080 -5.265 16.725 1.00 0.00 N ATOM 1600 CD2 HIS A 103 -17.584 -5.834 18.793 1.00 0.00 C ATOM 1601 CE1 HIS A 103 -18.969 -4.705 17.566 1.00 0.00 C ATOM 1602 NE2 HIS A 103 -18.713 -5.020 18.839 1.00 0.00 N ATOM 0 H HIS A 103 -15.409 -5.075 18.732 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.925 -6.505 16.579 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -16.306 -7.063 15.859 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -15.868 -7.678 17.440 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -18.068 -5.170 15.709 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -17.098 -6.273 19.652 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -19.789 -4.077 17.250 1.00 0.00 H new ATOM 1610 N HIS A 104 -14.133 -4.741 14.842 1.00 0.00 N ATOM 1611 CA HIS A 104 -14.236 -3.672 13.808 1.00 0.00 C ATOM 1612 C HIS A 104 -15.554 -3.820 13.041 1.00 0.00 C ATOM 1613 O HIS A 104 -16.224 -2.851 12.746 1.00 0.00 O ATOM 1614 CB HIS A 104 -13.061 -3.798 12.834 1.00 0.00 C ATOM 1615 CG HIS A 104 -13.137 -2.704 11.802 1.00 0.00 C ATOM 1616 ND1 HIS A 104 -12.881 -1.376 12.111 1.00 0.00 N ATOM 1617 CD2 HIS A 104 -13.428 -2.726 10.460 1.00 0.00 C ATOM 1618 CE1 HIS A 104 -13.021 -0.663 10.978 1.00 0.00 C ATOM 1619 NE2 HIS A 104 -13.354 -1.437 9.943 1.00 0.00 N ATOM 0 H HIS A 104 -13.386 -5.418 14.689 1.00 0.00 H new ATOM 0 HA HIS A 104 -14.210 -2.695 14.291 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -12.118 -3.734 13.377 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.083 -4.773 12.347 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.677 -3.610 9.892 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -12.881 0.406 10.914 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -13.519 -1.146 8.979 1.00 0.00 H new ATOM 1627 N HIS A 105 -15.921 -5.027 12.708 1.00 0.00 N ATOM 1628 CA HIS A 105 -17.188 -5.244 11.950 1.00 0.00 C ATOM 1629 C HIS A 105 -18.390 -5.103 12.883 1.00 0.00 C ATOM 1630 O HIS A 105 -18.351 -5.489 14.035 1.00 0.00 O ATOM 1631 CB HIS A 105 -17.177 -6.646 11.339 1.00 0.00 C ATOM 1632 CG HIS A 105 -16.054 -6.748 10.344 1.00 0.00 C ATOM 1633 ND1 HIS A 105 -16.146 -6.216 9.068 1.00 0.00 N ATOM 1634 CD2 HIS A 105 -14.805 -7.312 10.426 1.00 0.00 C ATOM 1635 CE1 HIS A 105 -14.985 -6.469 8.438 1.00 0.00 C ATOM 1636 NE2 HIS A 105 -14.132 -7.135 9.221 1.00 0.00 N ATOM 0 H HIS A 105 -15.398 -5.874 12.928 1.00 0.00 H new ATOM 0 HA HIS A 105 -17.265 -4.497 11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -17.054 -7.395 12.121 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -18.130 -6.849 10.851 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.406 -7.816 11.294 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -14.769 -6.170 7.423 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -13.190 -7.447 8.986 1.00 0.00 H new ATOM 1644 N HIS A 106 -19.462 -4.550 12.386 1.00 0.00 N ATOM 1645 CA HIS A 106 -20.681 -4.375 13.225 1.00 0.00 C ATOM 1646 C HIS A 106 -21.031 -5.701 13.902 1.00 0.00 C ATOM 1647 O HIS A 106 -21.118 -6.697 13.203 1.00 0.00 O ATOM 1648 CB HIS A 106 -21.845 -3.931 12.335 1.00 0.00 C ATOM 1649 CG HIS A 106 -21.506 -2.615 11.695 1.00 0.00 C ATOM 1650 ND1 HIS A 106 -21.555 -1.420 12.396 1.00 0.00 N ATOM 1651 CD2 HIS A 106 -21.107 -2.287 10.424 1.00 0.00 C ATOM 1652 CE1 HIS A 106 -21.193 -0.440 11.550 1.00 0.00 C ATOM 1653 NE2 HIS A 106 -20.910 -0.913 10.333 1.00 0.00 N ATOM 1654 OXT HIS A 106 -21.210 -5.697 15.109 1.00 0.00 O ATOM 0 H HIS A 106 -19.546 -4.210 11.428 1.00 0.00 H new ATOM 0 HA HIS A 106 -20.495 -3.620 13.988 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -22.039 -4.682 11.569 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -22.755 -3.837 12.927 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -20.967 -2.990 9.616 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -21.138 0.604 11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -20.614 -0.382 9.514 1.00 0.00 H new TER 1662 HIS A 106