USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 749 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 115 MET CE :methyl -163:sc=-0.000156 (180deg=-0.105) USER MOD Set 1.2: A 116 MET CE :methyl -154:sc= -0.14 (180deg=-0.859) USER MOD Set 2.1: A 77 GLN : amide:sc= 0.647 K(o=0.26,f=-1) USER MOD Set 2.2: A 86 HIS : no HE2:sc= -0.383 X(o=0.26,f=-0.17) USER MOD Set 3.1: A 34 GLN : amide:sc= 2.13 K(o=3.8,f=-5.9!) USER MOD Set 3.2: A 39 GLN : amide:sc= 0.361 K(o=3.8,f=-5.9) USER MOD Set 3.3: A 57 LYS NZ :NH3+ -156:sc= 1.28 (180deg=0) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -159:sc= 2.12 (180deg=0.744) USER MOD Set 4.2: A 38 TYR OH : rot 30:sc= 0.928 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.242 K(o=0.24,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc=0.000751 X(o=0.00075,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.907 USER MOD Single : A 50 THR OG1 : rot 69:sc= -0.725 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= 1.25 (180deg=1.13) USER MOD Single : A 59 SER OG : rot -42:sc= 1.08 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.17 K(o=0.17,f=-1.2!) USER MOD Single : A 91 MET CE :methyl -144:sc= -0.0617 (180deg=-1.15) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot -42:sc= 0.359 USER MOD Single : A 111 CYS SG : rot 132:sc= 0.0702 USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= 0.0434 K(o=0.043,f=-1.2!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 119 LYS NZ :NH3+ -102:sc= 1.22 (180deg=-0.453) USER MOD Single : A 120 MET CE :methyl -150:sc= -0.296 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 26 7.812 21.197 2.507 1.00 0.00 N ATOM 2 CA GLY A 26 7.818 20.412 1.232 1.00 0.00 C ATOM 3 C GLY A 26 7.893 18.914 1.473 1.00 0.00 C ATOM 4 O GLY A 26 7.890 18.114 0.531 1.00 0.00 O ATOM 0 HA2 GLY A 26 6.916 20.641 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.667 20.722 0.622 1.00 0.00 H new ATOM 7 N ALA A 27 7.954 18.534 2.744 1.00 0.00 N ATOM 8 CA ALA A 27 8.032 17.126 3.132 1.00 0.00 C ATOM 9 C ALA A 27 6.644 16.483 3.187 1.00 0.00 C ATOM 10 O ALA A 27 6.127 16.178 4.264 1.00 0.00 O ATOM 11 CB ALA A 27 8.741 16.990 4.471 1.00 0.00 C ATOM 0 H ALA A 27 7.951 19.184 3.530 1.00 0.00 H new ATOM 0 HA ALA A 27 8.608 16.597 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.793 15.938 4.750 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.750 17.395 4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.189 17.540 5.233 1.00 0.00 H new ATOM 17 N MET A 28 6.047 16.277 2.018 1.00 0.00 N ATOM 18 CA MET A 28 4.721 15.669 1.929 1.00 0.00 C ATOM 19 C MET A 28 4.775 14.332 1.189 1.00 0.00 C ATOM 20 O MET A 28 5.158 14.271 0.020 1.00 0.00 O ATOM 21 CB MET A 28 3.752 16.618 1.216 1.00 0.00 C ATOM 22 CG MET A 28 2.522 16.965 2.040 1.00 0.00 C ATOM 23 SD MET A 28 1.361 15.592 2.167 1.00 0.00 S ATOM 24 CE MET A 28 0.058 16.142 1.069 1.00 0.00 C ATOM 0 H MET A 28 6.459 16.522 1.118 1.00 0.00 H new ATOM 0 HA MET A 28 4.367 15.485 2.943 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.279 17.537 0.961 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.434 16.162 0.278 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.833 17.267 3.040 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.018 17.821 1.591 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.735 15.395 1.043 1.00 0.00 H new ATOM 0 HE2 MET A 28 -0.346 17.088 1.429 1.00 0.00 H new ATOM 0 HE3 MET A 28 0.461 16.279 0.066 1.00 0.00 H new ATOM 34 N GLY A 29 4.390 13.262 1.878 1.00 0.00 N ATOM 35 CA GLY A 29 4.399 11.941 1.267 1.00 0.00 C ATOM 36 C GLY A 29 5.597 11.104 1.685 1.00 0.00 C ATOM 37 O GLY A 29 6.405 11.529 2.511 1.00 0.00 O ATOM 0 H GLY A 29 4.072 13.284 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.483 11.415 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.398 12.048 0.182 1.00 0.00 H new ATOM 41 N GLN A 30 5.707 9.908 1.117 1.00 0.00 N ATOM 42 CA GLN A 30 6.812 9.007 1.433 1.00 0.00 C ATOM 43 C GLN A 30 7.301 8.259 0.191 1.00 0.00 C ATOM 44 O GLN A 30 6.513 7.880 -0.676 1.00 0.00 O ATOM 45 CB GLN A 30 6.390 8.004 2.510 1.00 0.00 C ATOM 46 CG GLN A 30 7.266 8.038 3.754 1.00 0.00 C ATOM 47 CD GLN A 30 8.665 7.501 3.503 1.00 0.00 C ATOM 48 OE1 GLN A 30 9.514 8.187 2.940 1.00 0.00 O ATOM 49 NE2 GLN A 30 8.912 6.270 3.917 1.00 0.00 N ATOM 0 H GLN A 30 5.045 9.539 0.435 1.00 0.00 H new ATOM 0 HA GLN A 30 7.635 9.616 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.358 8.206 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.413 6.999 2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.335 9.064 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.793 7.452 4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.180 5.732 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.834 5.859 3.773 1.00 0.00 H new ATOM 58 N LYS A 31 8.609 8.044 0.120 1.00 0.00 N ATOM 59 CA LYS A 31 9.213 7.338 -1.006 1.00 0.00 C ATOM 60 C LYS A 31 9.527 5.891 -0.628 1.00 0.00 C ATOM 61 O LYS A 31 10.145 5.629 0.405 1.00 0.00 O ATOM 62 CB LYS A 31 10.493 8.052 -1.448 1.00 0.00 C ATOM 63 CG LYS A 31 10.622 8.195 -2.956 1.00 0.00 C ATOM 64 CD LYS A 31 11.906 8.913 -3.340 1.00 0.00 C ATOM 65 CE LYS A 31 11.629 10.324 -3.831 1.00 0.00 C ATOM 66 NZ LYS A 31 12.856 10.977 -4.368 1.00 0.00 N ATOM 0 H LYS A 31 9.274 8.349 0.830 1.00 0.00 H new ATOM 0 HA LYS A 31 8.502 7.334 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.521 9.043 -0.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.355 7.503 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.603 7.208 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.766 8.746 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.574 8.951 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.420 8.350 -4.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.864 10.295 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.229 10.921 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.624 11.938 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.577 11.028 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.224 10.421 -5.166 1.00 0.00 H new ATOM 80 N ALA A 32 9.093 4.952 -1.464 1.00 0.00 N ATOM 81 CA ALA A 32 9.340 3.535 -1.212 1.00 0.00 C ATOM 82 C ALA A 32 10.798 3.171 -1.488 1.00 0.00 C ATOM 83 O ALA A 32 11.463 3.807 -2.307 1.00 0.00 O ATOM 84 CB ALA A 32 8.408 2.680 -2.056 1.00 0.00 C ATOM 0 H ALA A 32 8.571 5.145 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 32 9.140 3.338 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.603 1.626 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.373 2.911 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.579 2.889 -3.112 1.00 0.00 H new ATOM 90 N GLN A 33 11.292 2.141 -0.811 1.00 0.00 N ATOM 91 CA GLN A 33 12.678 1.715 -0.983 1.00 0.00 C ATOM 92 C GLN A 33 12.835 0.756 -2.165 1.00 0.00 C ATOM 93 O GLN A 33 11.965 -0.079 -2.430 1.00 0.00 O ATOM 94 CB GLN A 33 13.206 1.071 0.305 1.00 0.00 C ATOM 95 CG GLN A 33 12.603 -0.289 0.620 1.00 0.00 C ATOM 96 CD GLN A 33 12.994 -0.796 1.994 1.00 0.00 C ATOM 97 OE1 GLN A 33 14.174 -0.923 2.310 1.00 0.00 O ATOM 98 NE2 GLN A 33 12.005 -1.093 2.819 1.00 0.00 N ATOM 0 H GLN A 33 10.758 1.587 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 33 13.270 2.604 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.288 0.966 0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 33 13.010 1.744 1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.517 -0.224 0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.924 -1.008 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.037 -0.974 2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.209 -1.441 3.756 1.00 0.00 H new ATOM 107 N GLN A 34 13.949 0.892 -2.877 1.00 0.00 N ATOM 108 CA GLN A 34 14.239 0.043 -4.028 1.00 0.00 C ATOM 109 C GLN A 34 15.113 -1.145 -3.620 1.00 0.00 C ATOM 110 O GLN A 34 16.260 -0.971 -3.206 1.00 0.00 O ATOM 111 CB GLN A 34 14.947 0.851 -5.122 1.00 0.00 C ATOM 112 CG GLN A 34 14.056 1.879 -5.805 1.00 0.00 C ATOM 113 CD GLN A 34 14.429 2.101 -7.260 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.051 3.099 -7.612 1.00 0.00 O ATOM 115 NE2 GLN A 34 14.038 1.175 -8.121 1.00 0.00 N ATOM 0 H GLN A 34 14.669 1.586 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 34 13.293 -0.334 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.805 1.362 -4.685 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.334 0.164 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.018 1.551 -5.746 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.122 2.825 -5.268 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.523 0.358 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.252 1.278 -9.113 1.00 0.00 H new ATOM 124 N LYS A 35 14.562 -2.347 -3.731 1.00 0.00 N ATOM 125 CA LYS A 35 15.291 -3.564 -3.377 1.00 0.00 C ATOM 126 C LYS A 35 15.955 -4.196 -4.608 1.00 0.00 C ATOM 127 O LYS A 35 16.304 -3.505 -5.566 1.00 0.00 O ATOM 128 CB LYS A 35 14.350 -4.573 -2.712 1.00 0.00 C ATOM 129 CG LYS A 35 13.522 -3.993 -1.575 1.00 0.00 C ATOM 130 CD LYS A 35 14.109 -4.351 -0.219 1.00 0.00 C ATOM 131 CE LYS A 35 13.032 -4.433 0.850 1.00 0.00 C ATOM 132 NZ LYS A 35 12.644 -5.841 1.150 1.00 0.00 N ATOM 0 H LYS A 35 13.611 -2.508 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 35 16.076 -3.289 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.677 -4.979 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.939 -5.406 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.472 -2.909 -1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.500 -4.367 -1.640 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.629 -5.307 -0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.850 -3.605 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.390 -3.954 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.153 -3.878 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.702 -5.855 1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.621 -6.390 0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.338 -6.261 1.801 1.00 0.00 H new ATOM 146 N ASN A 36 16.112 -5.519 -4.584 1.00 0.00 N ATOM 147 CA ASN A 36 16.744 -6.244 -5.687 1.00 0.00 C ATOM 148 C ASN A 36 15.759 -6.535 -6.827 1.00 0.00 C ATOM 149 O ASN A 36 15.368 -7.684 -7.045 1.00 0.00 O ATOM 150 CB ASN A 36 17.345 -7.555 -5.174 1.00 0.00 C ATOM 151 CG ASN A 36 18.562 -7.988 -5.970 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.694 -7.684 -5.611 1.00 0.00 O ATOM 153 ND2 ASN A 36 18.333 -8.704 -7.060 1.00 0.00 N ATOM 0 H ASN A 36 15.810 -6.112 -3.811 1.00 0.00 H new ATOM 0 HA ASN A 36 17.532 -5.607 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.623 -7.438 -4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.589 -8.339 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.114 -9.023 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 36 17.376 -8.937 -7.326 1.00 0.00 H new ATOM 160 N GLY A 37 15.361 -5.493 -7.551 1.00 0.00 N ATOM 161 CA GLY A 37 14.444 -5.669 -8.669 1.00 0.00 C ATOM 162 C GLY A 37 13.003 -5.312 -8.340 1.00 0.00 C ATOM 163 O GLY A 37 12.162 -5.242 -9.234 1.00 0.00 O ATOM 0 H GLY A 37 15.655 -4.530 -7.386 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.780 -5.053 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.485 -6.706 -9.001 1.00 0.00 H new ATOM 167 N TYR A 38 12.715 -5.087 -7.063 1.00 0.00 N ATOM 168 CA TYR A 38 11.361 -4.739 -6.631 1.00 0.00 C ATOM 169 C TYR A 38 11.392 -3.627 -5.585 1.00 0.00 C ATOM 170 O TYR A 38 12.441 -3.324 -5.024 1.00 0.00 O ATOM 171 CB TYR A 38 10.639 -5.976 -6.073 1.00 0.00 C ATOM 172 CG TYR A 38 11.134 -6.439 -4.714 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.255 -7.253 -4.597 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.472 -6.064 -3.550 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.702 -7.678 -3.359 1.00 0.00 C ATOM 176 CE2 TYR A 38 10.913 -6.486 -2.310 1.00 0.00 C ATOM 177 CZ TYR A 38 12.027 -7.291 -2.220 1.00 0.00 C ATOM 178 OH TYR A 38 12.467 -7.709 -0.983 1.00 0.00 O ATOM 0 H TYR A 38 13.398 -5.139 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 38 10.812 -4.376 -7.500 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.574 -5.757 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.749 -6.795 -6.783 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.785 -7.558 -5.487 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.598 -5.432 -3.616 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.575 -8.310 -3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.387 -6.186 -1.416 1.00 0.00 H new ATOM 0 HH TYR A 38 13.439 -7.834 -1.006 1.00 0.00 H new ATOM 188 N GLN A 39 10.242 -3.018 -5.327 1.00 0.00 N ATOM 189 CA GLN A 39 10.157 -1.946 -4.336 1.00 0.00 C ATOM 190 C GLN A 39 9.288 -2.360 -3.152 1.00 0.00 C ATOM 191 O GLN A 39 8.380 -3.180 -3.290 1.00 0.00 O ATOM 192 CB GLN A 39 9.612 -0.657 -4.952 1.00 0.00 C ATOM 193 CG GLN A 39 9.695 -0.612 -6.466 1.00 0.00 C ATOM 194 CD GLN A 39 10.891 0.178 -6.959 1.00 0.00 C ATOM 195 OE1 GLN A 39 11.911 -0.389 -7.342 1.00 0.00 O ATOM 196 NE2 GLN A 39 10.775 1.496 -6.948 1.00 0.00 N ATOM 0 H GLN A 39 9.359 -3.244 -5.785 1.00 0.00 H new ATOM 0 HA GLN A 39 11.170 -1.758 -3.980 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.571 -0.535 -4.652 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.163 0.190 -4.543 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.751 -1.629 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.782 -0.169 -6.864 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.911 1.929 -6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.550 2.079 -7.265 1.00 0.00 H new ATOM 205 N GLU A 40 9.567 -1.779 -1.993 1.00 0.00 N ATOM 206 CA GLU A 40 8.819 -2.098 -0.777 1.00 0.00 C ATOM 207 C GLU A 40 8.617 -0.861 0.100 1.00 0.00 C ATOM 208 O GLU A 40 9.514 -0.031 0.247 1.00 0.00 O ATOM 209 CB GLU A 40 9.556 -3.182 0.013 1.00 0.00 C ATOM 210 CG GLU A 40 8.733 -3.806 1.131 1.00 0.00 C ATOM 211 CD GLU A 40 9.580 -4.204 2.325 1.00 0.00 C ATOM 212 OE1 GLU A 40 10.105 -5.344 2.333 1.00 0.00 O ATOM 213 OE2 GLU A 40 9.722 -3.379 3.252 1.00 0.00 O ATOM 0 H GLU A 40 10.304 -1.085 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 40 7.835 -2.462 -1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.869 -3.968 -0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.462 -2.752 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.968 -3.099 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.214 -4.685 0.749 1.00 0.00 H new ATOM 220 N ILE A 41 7.428 -0.746 0.677 1.00 0.00 N ATOM 221 CA ILE A 41 7.104 0.377 1.555 1.00 0.00 C ATOM 222 C ILE A 41 6.262 -0.085 2.748 1.00 0.00 C ATOM 223 O ILE A 41 5.250 -0.767 2.583 1.00 0.00 O ATOM 224 CB ILE A 41 6.365 1.514 0.795 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.780 2.533 1.777 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.266 0.951 -0.092 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.414 3.905 1.688 1.00 0.00 C ATOM 0 H ILE A 41 6.669 -1.416 0.554 1.00 0.00 H new ATOM 0 HA ILE A 41 8.050 0.776 1.921 1.00 0.00 H new ATOM 0 HB ILE A 41 7.094 2.019 0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.709 2.626 1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.898 2.154 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.765 1.767 -0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.701 0.268 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.543 0.413 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.946 4.570 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.480 3.828 1.901 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.273 4.307 0.685 1.00 0.00 H new ATOM 239 N ARG A 42 6.700 0.276 3.952 1.00 0.00 N ATOM 240 CA ARG A 42 5.985 -0.093 5.168 1.00 0.00 C ATOM 241 C ARG A 42 4.941 0.961 5.534 1.00 0.00 C ATOM 242 O ARG A 42 5.272 2.069 5.960 1.00 0.00 O ATOM 243 CB ARG A 42 6.965 -0.290 6.327 1.00 0.00 C ATOM 244 CG ARG A 42 6.660 -1.517 7.173 1.00 0.00 C ATOM 245 CD ARG A 42 7.839 -1.893 8.060 1.00 0.00 C ATOM 246 NE ARG A 42 7.634 -3.178 8.723 1.00 0.00 N ATOM 247 CZ ARG A 42 8.483 -3.705 9.590 1.00 0.00 C ATOM 248 NH1 ARG A 42 9.589 -3.076 9.905 1.00 0.00 N ATOM 249 NH2 ARG A 42 8.224 -4.865 10.141 1.00 0.00 N ATOM 0 H ARG A 42 7.546 0.823 4.110 1.00 0.00 H new ATOM 0 HA ARG A 42 5.468 -1.034 4.980 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.976 -0.375 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.947 0.595 6.963 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.785 -1.324 7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.411 -2.356 6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.747 -1.936 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.990 -1.117 8.811 1.00 0.00 H new ATOM 0 HE ARG A 42 6.786 -3.700 8.505 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.801 -2.173 9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.238 -3.490 10.574 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.367 -5.363 9.902 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.880 -5.270 10.809 1.00 0.00 H new ATOM 263 N VAL A 43 3.677 0.603 5.362 1.00 0.00 N ATOM 264 CA VAL A 43 2.567 1.497 5.664 1.00 0.00 C ATOM 265 C VAL A 43 1.956 1.155 7.022 1.00 0.00 C ATOM 266 O VAL A 43 1.234 0.166 7.167 1.00 0.00 O ATOM 267 CB VAL A 43 1.483 1.425 4.562 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.365 2.423 4.818 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.105 1.675 3.200 1.00 0.00 C ATOM 0 H VAL A 43 3.392 -0.311 5.011 1.00 0.00 H new ATOM 0 HA VAL A 43 2.957 2.514 5.699 1.00 0.00 H new ATOM 0 HB VAL A 43 1.051 0.425 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.380 2.346 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.103 2.206 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.775 3.433 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.333 1.622 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.564 2.664 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.865 0.919 3.003 1.00 0.00 H new ATOM 279 N GLU A 44 2.273 1.972 8.021 1.00 0.00 N ATOM 280 CA GLU A 44 1.765 1.767 9.375 1.00 0.00 C ATOM 281 C GLU A 44 0.282 2.125 9.463 1.00 0.00 C ATOM 282 O GLU A 44 -0.105 3.281 9.259 1.00 0.00 O ATOM 283 CB GLU A 44 2.572 2.597 10.375 1.00 0.00 C ATOM 284 CG GLU A 44 2.587 2.016 11.780 1.00 0.00 C ATOM 285 CD GLU A 44 3.866 1.261 12.088 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.007 0.112 11.616 1.00 0.00 O ATOM 287 OE2 GLU A 44 4.729 1.818 12.800 1.00 0.00 O ATOM 0 H GLU A 44 2.881 2.785 7.919 1.00 0.00 H new ATOM 0 HA GLU A 44 1.874 0.711 9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.598 2.685 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.160 3.605 10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.463 2.822 12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.736 1.345 11.900 1.00 0.00 H new ATOM 294 N VAL A 45 -0.537 1.125 9.776 1.00 0.00 N ATOM 295 CA VAL A 45 -1.981 1.301 9.876 1.00 0.00 C ATOM 296 C VAL A 45 -2.430 1.457 11.334 1.00 0.00 C ATOM 297 O VAL A 45 -2.562 0.479 12.075 1.00 0.00 O ATOM 298 CB VAL A 45 -2.720 0.109 9.216 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.204 0.123 9.536 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.508 0.122 7.711 1.00 0.00 C ATOM 0 H VAL A 45 -0.220 0.175 9.966 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.238 2.218 9.345 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.299 -0.808 9.628 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.688 -0.728 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.344 0.059 10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.647 1.048 9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.033 -0.721 7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.896 1.053 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.443 0.044 7.493 1.00 0.00 H new ATOM 310 N MET A 46 -2.642 2.703 11.738 1.00 0.00 N ATOM 311 CA MET A 46 -3.092 3.013 13.095 1.00 0.00 C ATOM 312 C MET A 46 -4.017 4.233 13.079 1.00 0.00 C ATOM 313 O MET A 46 -3.580 5.368 13.257 1.00 0.00 O ATOM 314 CB MET A 46 -1.899 3.257 14.028 1.00 0.00 C ATOM 315 CG MET A 46 -0.760 4.033 13.384 1.00 0.00 C ATOM 316 SD MET A 46 0.782 3.896 14.307 1.00 0.00 S ATOM 317 CE MET A 46 0.477 5.038 15.653 1.00 0.00 C ATOM 0 H MET A 46 -2.510 3.521 11.144 1.00 0.00 H new ATOM 0 HA MET A 46 -3.647 2.155 13.475 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.244 3.800 14.908 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.520 2.296 14.375 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.605 3.668 12.369 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.040 5.084 13.306 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.345 5.063 16.312 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.298 6.035 15.251 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.397 4.712 16.216 1.00 0.00 H new ATOM 327 N GLY A 47 -5.304 3.982 12.855 1.00 0.00 N ATOM 328 CA GLY A 47 -6.274 5.066 12.779 1.00 0.00 C ATOM 329 C GLY A 47 -6.334 5.657 11.380 1.00 0.00 C ATOM 330 O GLY A 47 -7.103 6.577 11.106 1.00 0.00 O ATOM 0 H GLY A 47 -5.694 3.049 12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.259 4.696 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.009 5.845 13.494 1.00 0.00 H new ATOM 334 N GLY A 48 -5.508 5.102 10.501 1.00 0.00 N ATOM 335 CA GLY A 48 -5.431 5.542 9.124 1.00 0.00 C ATOM 336 C GLY A 48 -4.131 5.094 8.482 1.00 0.00 C ATOM 337 O GLY A 48 -3.471 4.185 8.988 1.00 0.00 O ATOM 0 H GLY A 48 -4.875 4.335 10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.275 5.141 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.507 6.629 9.081 1.00 0.00 H new ATOM 341 N TYR A 49 -3.754 5.726 7.381 1.00 0.00 N ATOM 342 CA TYR A 49 -2.513 5.378 6.691 1.00 0.00 C ATOM 343 C TYR A 49 -1.421 6.398 7.011 1.00 0.00 C ATOM 344 O TYR A 49 -1.621 7.600 6.843 1.00 0.00 O ATOM 345 CB TYR A 49 -2.747 5.303 5.179 1.00 0.00 C ATOM 346 CG TYR A 49 -3.827 4.318 4.784 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.712 2.967 5.091 1.00 0.00 C ATOM 348 CD2 TYR A 49 -4.966 4.741 4.114 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.702 2.068 4.737 1.00 0.00 C ATOM 350 CE2 TYR A 49 -5.959 3.851 3.760 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.825 2.517 4.074 1.00 0.00 C ATOM 352 OH TYR A 49 -6.817 1.629 3.725 1.00 0.00 O ATOM 0 H TYR A 49 -4.284 6.480 6.945 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.185 4.399 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.017 6.293 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.815 5.024 4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.836 2.614 5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.077 5.786 3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.596 1.021 4.978 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.838 4.199 3.238 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.538 2.108 3.266 1.00 0.00 H new ATOM 362 N THR A 50 -0.268 5.913 7.480 1.00 0.00 N ATOM 363 CA THR A 50 0.846 6.799 7.830 1.00 0.00 C ATOM 364 C THR A 50 1.380 7.551 6.597 1.00 0.00 C ATOM 365 O THR A 50 1.311 8.781 6.556 1.00 0.00 O ATOM 366 CB THR A 50 1.981 6.038 8.557 1.00 0.00 C ATOM 367 OG1 THR A 50 1.519 5.595 9.839 1.00 0.00 O ATOM 368 CG2 THR A 50 3.215 6.914 8.734 1.00 0.00 C ATOM 0 H THR A 50 -0.082 4.921 7.625 1.00 0.00 H new ATOM 0 HA THR A 50 0.455 7.541 8.526 1.00 0.00 H new ATOM 0 HB THR A 50 2.259 5.181 7.944 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.841 4.897 9.719 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.992 6.348 9.248 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.581 7.228 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.956 7.793 9.324 1.00 0.00 H new ATOM 376 N PRO A 51 1.936 6.854 5.575 1.00 0.00 N ATOM 377 CA PRO A 51 2.409 7.527 4.364 1.00 0.00 C ATOM 378 C PRO A 51 1.237 7.940 3.472 1.00 0.00 C ATOM 379 O PRO A 51 0.724 7.136 2.693 1.00 0.00 O ATOM 380 CB PRO A 51 3.270 6.467 3.679 1.00 0.00 C ATOM 381 CG PRO A 51 2.689 5.171 4.119 1.00 0.00 C ATOM 382 CD PRO A 51 2.178 5.395 5.518 1.00 0.00 C ATOM 0 HA PRO A 51 2.956 8.446 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.236 6.569 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.316 6.554 3.975 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.883 4.860 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.440 4.381 4.100 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.265 4.830 5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.907 5.081 6.265 1.00 0.00 H new ATOM 390 N GLU A 52 0.812 9.196 3.613 1.00 0.00 N ATOM 391 CA GLU A 52 -0.313 9.740 2.838 1.00 0.00 C ATOM 392 C GLU A 52 -0.173 9.464 1.336 1.00 0.00 C ATOM 393 O GLU A 52 -1.145 9.092 0.676 1.00 0.00 O ATOM 394 CB GLU A 52 -0.453 11.247 3.085 1.00 0.00 C ATOM 395 CG GLU A 52 0.856 12.019 2.986 1.00 0.00 C ATOM 396 CD GLU A 52 1.233 12.721 4.278 1.00 0.00 C ATOM 397 OE1 GLU A 52 0.331 12.998 5.094 1.00 0.00 O ATOM 398 OE2 GLU A 52 2.438 12.995 4.471 1.00 0.00 O ATOM 0 H GLU A 52 1.231 9.863 4.261 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.214 9.231 3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.160 11.658 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.880 11.404 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.655 11.333 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.776 12.758 2.188 1.00 0.00 H new ATOM 405 N LEU A 53 1.030 9.654 0.804 1.00 0.00 N ATOM 406 CA LEU A 53 1.288 9.415 -0.613 1.00 0.00 C ATOM 407 C LEU A 53 2.565 8.595 -0.793 1.00 0.00 C ATOM 408 O LEU A 53 3.647 9.031 -0.402 1.00 0.00 O ATOM 409 CB LEU A 53 1.412 10.735 -1.385 1.00 0.00 C ATOM 410 CG LEU A 53 1.123 12.010 -0.591 1.00 0.00 C ATOM 411 CD1 LEU A 53 1.977 13.158 -1.106 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.353 12.373 -0.679 1.00 0.00 C ATOM 0 H LEU A 53 1.842 9.973 1.332 1.00 0.00 H new ATOM 0 HA LEU A 53 0.441 8.857 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.423 10.803 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.732 10.700 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 53 1.373 11.828 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.761 14.059 -0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.031 12.904 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.752 13.336 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.539 13.283 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.626 12.537 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.953 11.560 -0.271 1.00 0.00 H new ATOM 424 N ILE A 54 2.439 7.410 -1.382 1.00 0.00 N ATOM 425 CA ILE A 54 3.599 6.545 -1.611 1.00 0.00 C ATOM 426 C ILE A 54 4.129 6.698 -3.037 1.00 0.00 C ATOM 427 O ILE A 54 3.385 6.571 -4.008 1.00 0.00 O ATOM 428 CB ILE A 54 3.280 5.054 -1.345 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.919 4.671 -1.927 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.325 4.757 0.144 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.602 3.196 -1.806 1.00 0.00 C ATOM 0 H ILE A 54 1.553 7.025 -1.709 1.00 0.00 H new ATOM 0 HA ILE A 54 4.363 6.865 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 54 4.041 4.453 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.142 5.244 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.890 4.955 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.098 3.704 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.320 4.980 0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.589 5.374 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.622 2.998 -2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.357 2.617 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.598 2.910 -0.754 1.00 0.00 H new ATOM 443 N VAL A 55 5.419 6.985 -3.153 1.00 0.00 N ATOM 444 CA VAL A 55 6.048 7.158 -4.460 1.00 0.00 C ATOM 445 C VAL A 55 6.725 5.865 -4.927 1.00 0.00 C ATOM 446 O VAL A 55 7.536 5.278 -4.206 1.00 0.00 O ATOM 447 CB VAL A 55 7.082 8.306 -4.431 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.840 8.401 -5.748 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.402 9.628 -4.106 1.00 0.00 C ATOM 0 H VAL A 55 6.051 7.103 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 55 5.258 7.413 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 55 7.806 8.086 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.560 9.218 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.367 7.465 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.137 8.588 -6.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.145 10.425 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.651 9.847 -4.865 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.922 9.560 -3.130 1.00 0.00 H new ATOM 459 N LEU A 56 6.385 5.432 -6.142 1.00 0.00 N ATOM 460 CA LEU A 56 6.947 4.206 -6.714 1.00 0.00 C ATOM 461 C LEU A 56 7.374 4.409 -8.172 1.00 0.00 C ATOM 462 O LEU A 56 7.090 5.443 -8.779 1.00 0.00 O ATOM 463 CB LEU A 56 5.923 3.069 -6.632 1.00 0.00 C ATOM 464 CG LEU A 56 5.609 2.572 -5.219 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.184 2.050 -5.141 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.594 1.494 -4.805 1.00 0.00 C ATOM 0 H LEU A 56 5.722 5.913 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 56 7.832 3.946 -6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.995 3.404 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.290 2.229 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 56 5.705 3.411 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.979 1.701 -4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.489 2.850 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.060 1.224 -5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.357 1.152 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.528 0.655 -5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.606 1.900 -4.821 1.00 0.00 H new ATOM 478 N LYS A 57 8.056 3.410 -8.729 1.00 0.00 N ATOM 479 CA LYS A 57 8.513 3.469 -10.116 1.00 0.00 C ATOM 480 C LYS A 57 7.537 2.736 -11.040 1.00 0.00 C ATOM 481 O LYS A 57 6.599 2.090 -10.573 1.00 0.00 O ATOM 482 CB LYS A 57 9.912 2.860 -10.240 1.00 0.00 C ATOM 483 CG LYS A 57 10.965 3.841 -10.728 1.00 0.00 C ATOM 484 CD LYS A 57 12.207 3.808 -9.852 1.00 0.00 C ATOM 485 CE LYS A 57 13.224 4.848 -10.291 1.00 0.00 C ATOM 486 NZ LYS A 57 14.619 4.431 -9.976 1.00 0.00 N ATOM 0 H LYS A 57 8.304 2.550 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 57 8.554 4.516 -10.418 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.215 2.468 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.871 2.014 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.237 3.602 -11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.550 4.849 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.927 3.987 -8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.657 2.816 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.130 5.017 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.009 5.796 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.225 5.273 -9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.632 3.915 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.976 3.813 -10.733 1.00 0.00 H new ATOM 500 N LYS A 58 7.761 2.831 -12.346 1.00 0.00 N ATOM 501 CA LYS A 58 6.880 2.178 -13.315 1.00 0.00 C ATOM 502 C LYS A 58 7.520 0.921 -13.914 1.00 0.00 C ATOM 503 O LYS A 58 8.740 0.845 -14.066 1.00 0.00 O ATOM 504 CB LYS A 58 6.502 3.153 -14.432 1.00 0.00 C ATOM 505 CG LYS A 58 5.318 2.683 -15.263 1.00 0.00 C ATOM 506 CD LYS A 58 5.004 3.645 -16.397 1.00 0.00 C ATOM 507 CE LYS A 58 5.576 3.158 -17.721 1.00 0.00 C ATOM 508 NZ LYS A 58 4.514 2.653 -18.636 1.00 0.00 N ATOM 0 H LYS A 58 8.537 3.348 -12.758 1.00 0.00 H new ATOM 0 HA LYS A 58 5.981 1.872 -12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.268 4.123 -13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.362 3.297 -15.086 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.531 1.696 -15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.443 2.580 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.924 3.761 -16.488 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.412 4.629 -16.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.114 3.973 -18.205 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.300 2.365 -17.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.866 1.821 -19.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.675 2.388 -18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.258 3.398 -19.316 1.00 0.00 H new ATOM 522 N SER A 59 6.670 -0.061 -14.239 1.00 0.00 N ATOM 523 CA SER A 59 7.097 -1.339 -14.832 1.00 0.00 C ATOM 524 C SER A 59 7.955 -2.157 -13.861 1.00 0.00 C ATOM 525 O SER A 59 8.694 -3.054 -14.272 1.00 0.00 O ATOM 526 CB SER A 59 7.857 -1.105 -16.145 1.00 0.00 C ATOM 527 OG SER A 59 8.209 -2.333 -16.759 1.00 0.00 O ATOM 0 H SER A 59 5.662 0.007 -14.098 1.00 0.00 H new ATOM 0 HA SER A 59 6.195 -1.913 -15.046 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.240 -0.519 -16.826 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.757 -0.522 -15.949 1.00 0.00 H new ATOM 0 HG SER A 59 8.522 -2.962 -16.076 1.00 0.00 H new ATOM 533 N VAL A 60 7.838 -1.852 -12.574 1.00 0.00 N ATOM 534 CA VAL A 60 8.603 -2.552 -11.548 1.00 0.00 C ATOM 535 C VAL A 60 7.678 -3.161 -10.486 1.00 0.00 C ATOM 536 O VAL A 60 6.703 -2.532 -10.068 1.00 0.00 O ATOM 537 CB VAL A 60 9.625 -1.592 -10.881 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.930 -0.594 -9.970 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.684 -2.361 -10.110 1.00 0.00 C ATOM 0 H VAL A 60 7.220 -1.124 -12.215 1.00 0.00 H new ATOM 0 HA VAL A 60 9.146 -3.364 -12.032 1.00 0.00 H new ATOM 0 HB VAL A 60 10.119 -1.040 -11.681 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.672 0.064 -9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.225 -0.000 -10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.394 -1.129 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.384 -1.660 -9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.207 -2.955 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.222 -3.021 -10.790 1.00 0.00 H new ATOM 549 N PRO A 61 7.937 -4.414 -10.067 1.00 0.00 N ATOM 550 CA PRO A 61 7.135 -5.070 -9.029 1.00 0.00 C ATOM 551 C PRO A 61 7.263 -4.352 -7.686 1.00 0.00 C ATOM 552 O PRO A 61 8.362 -4.179 -7.165 1.00 0.00 O ATOM 553 CB PRO A 61 7.719 -6.487 -8.948 1.00 0.00 C ATOM 554 CG PRO A 61 9.076 -6.387 -9.560 1.00 0.00 C ATOM 555 CD PRO A 61 8.996 -5.293 -10.587 1.00 0.00 C ATOM 0 HA PRO A 61 6.071 -5.064 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.777 -6.830 -7.915 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.096 -7.201 -9.487 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.827 -6.157 -8.804 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.366 -7.332 -10.020 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.944 -4.765 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.745 -5.685 -11.573 1.00 0.00 H new ATOM 563 N ALA A 62 6.141 -3.916 -7.135 1.00 0.00 N ATOM 564 CA ALA A 62 6.153 -3.208 -5.861 1.00 0.00 C ATOM 565 C ALA A 62 5.236 -3.868 -4.839 1.00 0.00 C ATOM 566 O ALA A 62 4.123 -4.286 -5.162 1.00 0.00 O ATOM 567 CB ALA A 62 5.756 -1.756 -6.069 1.00 0.00 C ATOM 0 H ALA A 62 5.215 -4.038 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 62 7.168 -3.251 -5.465 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.768 -1.235 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.461 -1.280 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.754 -1.710 -6.495 1.00 0.00 H new ATOM 573 N ARG A 63 5.707 -3.962 -3.601 1.00 0.00 N ATOM 574 CA ARG A 63 4.920 -4.570 -2.540 1.00 0.00 C ATOM 575 C ARG A 63 4.677 -3.579 -1.397 1.00 0.00 C ATOM 576 O ARG A 63 5.603 -2.963 -0.863 1.00 0.00 O ATOM 577 CB ARG A 63 5.586 -5.859 -2.039 1.00 0.00 C ATOM 578 CG ARG A 63 6.800 -5.652 -1.149 1.00 0.00 C ATOM 579 CD ARG A 63 7.641 -6.914 -1.057 1.00 0.00 C ATOM 580 NE ARG A 63 8.374 -6.993 0.203 1.00 0.00 N ATOM 581 CZ ARG A 63 8.215 -7.952 1.101 1.00 0.00 C ATOM 582 NH1 ARG A 63 7.373 -8.937 0.893 1.00 0.00 N ATOM 583 NH2 ARG A 63 8.905 -7.923 2.216 1.00 0.00 N ATOM 0 H ARG A 63 6.625 -3.626 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 63 3.946 -4.839 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.847 -6.442 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.884 -6.455 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.407 -4.836 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.476 -5.356 -0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.996 -7.787 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.345 -6.941 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 63 9.054 -6.260 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.830 -8.970 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.261 -9.669 1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.562 -7.163 2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.784 -8.661 2.910 1.00 0.00 H new ATOM 597 N ILE A 64 3.409 -3.412 -1.050 1.00 0.00 N ATOM 598 CA ILE A 64 3.017 -2.504 0.023 1.00 0.00 C ATOM 599 C ILE A 64 2.748 -3.276 1.315 1.00 0.00 C ATOM 600 O ILE A 64 1.809 -4.064 1.391 1.00 0.00 O ATOM 601 CB ILE A 64 1.762 -1.688 -0.357 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.771 -1.332 -1.851 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.670 -0.429 0.493 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.786 -0.269 -2.228 1.00 0.00 C ATOM 0 H ILE A 64 2.630 -3.895 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 64 3.846 -1.814 0.180 1.00 0.00 H new ATOM 0 HB ILE A 64 0.883 -2.303 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.975 -2.234 -2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.777 -0.988 -2.138 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.780 0.135 0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.608 -0.704 1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.555 0.186 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.729 -0.075 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.572 0.649 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.788 -0.616 -1.975 1.00 0.00 H new ATOM 616 N VAL A 65 3.579 -3.043 2.326 1.00 0.00 N ATOM 617 CA VAL A 65 3.444 -3.732 3.611 1.00 0.00 C ATOM 618 C VAL A 65 2.534 -2.960 4.567 1.00 0.00 C ATOM 619 O VAL A 65 2.919 -1.926 5.102 1.00 0.00 O ATOM 620 CB VAL A 65 4.818 -3.940 4.285 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.732 -5.014 5.359 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.883 -4.299 3.256 1.00 0.00 C ATOM 0 H VAL A 65 4.355 -2.382 2.283 1.00 0.00 H new ATOM 0 HA VAL A 65 2.997 -4.703 3.398 1.00 0.00 H new ATOM 0 HB VAL A 65 5.106 -3.001 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.710 -5.145 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.009 -4.713 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.415 -5.954 4.909 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.841 -4.440 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.601 -5.221 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.970 -3.494 2.527 1.00 0.00 H new ATOM 632 N PHE A 66 1.330 -3.479 4.789 1.00 0.00 N ATOM 633 CA PHE A 66 0.370 -2.832 5.682 1.00 0.00 C ATOM 634 C PHE A 66 0.417 -3.441 7.084 1.00 0.00 C ATOM 635 O PHE A 66 -0.049 -4.560 7.304 1.00 0.00 O ATOM 636 CB PHE A 66 -1.044 -2.947 5.112 1.00 0.00 C ATOM 637 CG PHE A 66 -1.273 -2.097 3.895 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.451 -0.728 4.014 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.303 -2.666 2.632 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.655 0.058 2.897 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.506 -1.884 1.511 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.682 -0.522 1.644 1.00 0.00 C ATOM 0 H PHE A 66 0.995 -4.344 4.365 1.00 0.00 H new ATOM 0 HA PHE A 66 0.643 -1.780 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.241 -3.989 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.761 -2.664 5.882 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.430 -0.270 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.166 -3.732 2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.793 1.124 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.527 -2.339 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.841 0.090 0.769 1.00 0.00 H new ATOM 652 N ASP A 67 0.980 -2.697 8.031 1.00 0.00 N ATOM 653 CA ASP A 67 1.083 -3.157 9.414 1.00 0.00 C ATOM 654 C ASP A 67 -0.132 -2.703 10.225 1.00 0.00 C ATOM 655 O ASP A 67 -0.245 -1.528 10.578 1.00 0.00 O ATOM 656 CB ASP A 67 2.373 -2.622 10.049 1.00 0.00 C ATOM 657 CG ASP A 67 2.825 -3.448 11.238 1.00 0.00 C ATOM 658 OD1 ASP A 67 3.576 -4.424 11.030 1.00 0.00 O ATOM 659 OD2 ASP A 67 2.426 -3.122 12.374 1.00 0.00 O ATOM 0 H ASP A 67 1.373 -1.770 7.866 1.00 0.00 H new ATOM 0 HA ASP A 67 1.110 -4.247 9.417 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.164 -2.609 9.299 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.217 -1.591 10.366 1.00 0.00 H new ATOM 664 N ARG A 68 -1.034 -3.635 10.525 1.00 0.00 N ATOM 665 CA ARG A 68 -2.244 -3.316 11.284 1.00 0.00 C ATOM 666 C ARG A 68 -1.953 -3.191 12.782 1.00 0.00 C ATOM 667 O ARG A 68 -1.921 -4.185 13.512 1.00 0.00 O ATOM 668 CB ARG A 68 -3.320 -4.377 11.046 1.00 0.00 C ATOM 669 CG ARG A 68 -4.735 -3.814 11.008 1.00 0.00 C ATOM 670 CD ARG A 68 -5.689 -4.661 11.837 1.00 0.00 C ATOM 671 NE ARG A 68 -7.033 -4.092 11.893 1.00 0.00 N ATOM 672 CZ ARG A 68 -8.143 -4.800 11.744 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.089 -6.079 11.458 1.00 0.00 N ATOM 674 NH2 ARG A 68 -9.315 -4.224 11.851 1.00 0.00 N ATOM 0 H ARG A 68 -0.952 -4.615 10.255 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.608 -2.351 10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.115 -4.885 10.104 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.258 -5.128 11.833 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.732 -2.791 11.385 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.085 -3.773 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.740 -5.665 11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.297 -4.760 12.849 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.122 -3.089 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.185 -6.539 11.348 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.951 -6.613 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.376 -3.225 12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.166 -4.774 11.735 1.00 0.00 H new ATOM 688 N LYS A 69 -1.749 -1.954 13.229 1.00 0.00 N ATOM 689 CA LYS A 69 -1.465 -1.669 14.634 1.00 0.00 C ATOM 690 C LYS A 69 -2.762 -1.401 15.405 1.00 0.00 C ATOM 691 O LYS A 69 -2.910 -1.807 16.557 1.00 0.00 O ATOM 692 CB LYS A 69 -0.519 -0.464 14.735 1.00 0.00 C ATOM 693 CG LYS A 69 -0.398 0.126 16.134 1.00 0.00 C ATOM 694 CD LYS A 69 0.422 -0.768 17.050 1.00 0.00 C ATOM 695 CE LYS A 69 1.313 0.046 17.973 1.00 0.00 C ATOM 696 NZ LYS A 69 1.669 -0.705 19.209 1.00 0.00 N ATOM 0 H LYS A 69 -1.775 -1.127 12.633 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.982 -2.538 15.080 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.471 -0.766 14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.867 0.314 14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.066 1.111 16.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.393 0.267 16.557 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.246 -1.392 17.644 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.036 -1.440 16.450 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.224 0.326 17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.805 0.971 18.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.277 -0.114 19.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.802 -0.950 19.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.177 -1.576 18.952 1.00 0.00 H new ATOM 710 N ASP A 70 -3.700 -0.719 14.758 1.00 0.00 N ATOM 711 CA ASP A 70 -4.983 -0.401 15.379 1.00 0.00 C ATOM 712 C ASP A 70 -6.085 -1.331 14.858 1.00 0.00 C ATOM 713 O ASP A 70 -6.246 -1.496 13.647 1.00 0.00 O ATOM 714 CB ASP A 70 -5.346 1.062 15.113 1.00 0.00 C ATOM 715 CG ASP A 70 -6.271 1.637 16.170 1.00 0.00 C ATOM 716 OD1 ASP A 70 -7.502 1.535 15.997 1.00 0.00 O ATOM 717 OD2 ASP A 70 -5.762 2.186 17.169 1.00 0.00 O ATOM 0 H ASP A 70 -3.597 -0.375 13.803 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.894 -0.552 16.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.434 1.657 15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.823 1.142 14.136 1.00 0.00 H new ATOM 722 N PRO A 71 -6.877 -1.929 15.771 1.00 0.00 N ATOM 723 CA PRO A 71 -7.965 -2.853 15.411 1.00 0.00 C ATOM 724 C PRO A 71 -9.239 -2.137 14.953 1.00 0.00 C ATOM 725 O PRO A 71 -10.351 -2.560 15.272 1.00 0.00 O ATOM 726 CB PRO A 71 -8.213 -3.594 16.721 1.00 0.00 C ATOM 727 CG PRO A 71 -7.916 -2.582 17.771 1.00 0.00 C ATOM 728 CD PRO A 71 -6.781 -1.748 17.232 1.00 0.00 C ATOM 0 HA PRO A 71 -7.698 -3.491 14.569 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.241 -3.950 16.789 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.567 -4.467 16.814 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.791 -1.965 17.977 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.637 -3.062 18.709 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.885 -0.700 17.513 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.818 -2.087 17.615 1.00 0.00 H new ATOM 736 N SER A 72 -9.070 -1.053 14.204 1.00 0.00 N ATOM 737 CA SER A 72 -10.204 -0.281 13.698 1.00 0.00 C ATOM 738 C SER A 72 -10.966 -1.062 12.629 1.00 0.00 C ATOM 739 O SER A 72 -10.358 -1.653 11.735 1.00 0.00 O ATOM 740 CB SER A 72 -9.727 1.048 13.108 1.00 0.00 C ATOM 741 OG SER A 72 -10.803 1.768 12.530 1.00 0.00 O ATOM 0 H SER A 72 -8.158 -0.687 13.932 1.00 0.00 H new ATOM 0 HA SER A 72 -10.872 -0.087 14.537 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.261 1.649 13.889 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.964 0.861 12.353 1.00 0.00 H new ATOM 0 HG SER A 72 -10.471 2.613 12.162 1.00 0.00 H new ATOM 747 N PRO A 73 -12.313 -1.065 12.694 1.00 0.00 N ATOM 748 CA PRO A 73 -13.153 -1.776 11.717 1.00 0.00 C ATOM 749 C PRO A 73 -13.021 -1.201 10.307 1.00 0.00 C ATOM 750 O PRO A 73 -13.185 -1.913 9.317 1.00 0.00 O ATOM 751 CB PRO A 73 -14.574 -1.573 12.246 1.00 0.00 C ATOM 752 CG PRO A 73 -14.494 -0.356 13.101 1.00 0.00 C ATOM 753 CD PRO A 73 -13.124 -0.383 13.719 1.00 0.00 C ATOM 0 HA PRO A 73 -12.866 -2.824 11.625 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.284 -1.437 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.910 -2.437 12.819 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.639 0.548 12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.269 -0.364 13.867 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.754 0.621 13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.118 -0.925 14.665 1.00 0.00 H new ATOM 761 N CYS A 74 -12.707 0.093 10.224 1.00 0.00 N ATOM 762 CA CYS A 74 -12.543 0.764 8.935 1.00 0.00 C ATOM 763 C CYS A 74 -11.179 0.448 8.320 1.00 0.00 C ATOM 764 O CYS A 74 -10.917 0.783 7.167 1.00 0.00 O ATOM 765 CB CYS A 74 -12.698 2.278 9.099 1.00 0.00 C ATOM 766 SG CYS A 74 -14.414 2.838 9.191 1.00 0.00 S ATOM 0 H CYS A 74 -12.561 0.696 11.034 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.319 0.394 8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.176 2.590 10.004 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -12.209 2.775 8.261 1.00 0.00 H new ATOM 0 HG CYS A 74 -14.442 4.130 9.331 1.00 0.00 H new ATOM 772 N LEU A 75 -10.314 -0.194 9.099 1.00 0.00 N ATOM 773 CA LEU A 75 -8.979 -0.557 8.631 1.00 0.00 C ATOM 774 C LEU A 75 -8.795 -2.078 8.586 1.00 0.00 C ATOM 775 O LEU A 75 -7.672 -2.575 8.523 1.00 0.00 O ATOM 776 CB LEU A 75 -7.918 0.066 9.537 1.00 0.00 C ATOM 777 CG LEU A 75 -7.685 1.563 9.335 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.894 2.132 10.500 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.963 1.821 8.020 1.00 0.00 C ATOM 0 H LEU A 75 -10.513 -0.474 10.059 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.865 -0.172 7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.205 -0.104 10.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.975 -0.457 9.377 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.653 2.063 9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.734 3.199 10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.449 1.979 11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.930 1.627 10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.807 2.892 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.999 1.312 8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.566 1.443 7.194 1.00 0.00 H new ATOM 791 N ASP A 76 -9.908 -2.810 8.614 1.00 0.00 N ATOM 792 CA ASP A 76 -9.871 -4.274 8.584 1.00 0.00 C ATOM 793 C ASP A 76 -9.462 -4.811 7.208 1.00 0.00 C ATOM 794 O ASP A 76 -8.833 -5.865 7.106 1.00 0.00 O ATOM 795 CB ASP A 76 -11.240 -4.836 8.977 1.00 0.00 C ATOM 796 CG ASP A 76 -11.189 -6.314 9.315 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.758 -6.653 10.440 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.585 -7.132 8.456 1.00 0.00 O ATOM 0 H ASP A 76 -10.847 -2.414 8.657 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.117 -4.600 9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.622 -4.284 9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.942 -4.678 8.158 1.00 0.00 H new ATOM 803 N GLN A 77 -9.829 -4.091 6.155 1.00 0.00 N ATOM 804 CA GLN A 77 -9.505 -4.513 4.796 1.00 0.00 C ATOM 805 C GLN A 77 -8.938 -3.356 3.973 1.00 0.00 C ATOM 806 O GLN A 77 -9.026 -2.195 4.369 1.00 0.00 O ATOM 807 CB GLN A 77 -10.754 -5.078 4.111 1.00 0.00 C ATOM 808 CG GLN A 77 -11.037 -6.533 4.462 1.00 0.00 C ATOM 809 CD GLN A 77 -12.518 -6.819 4.630 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.287 -6.766 3.674 1.00 0.00 O ATOM 811 NE2 GLN A 77 -12.928 -7.129 5.851 1.00 0.00 N ATOM 0 H GLN A 77 -10.349 -3.216 6.214 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.742 -5.289 4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.616 -4.472 4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.637 -4.990 3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.634 -7.176 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.515 -6.788 5.384 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.259 -7.163 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.913 -7.334 6.022 1.00 0.00 H new ATOM 820 N ILE A 78 -8.344 -3.685 2.831 1.00 0.00 N ATOM 821 CA ILE A 78 -7.773 -2.676 1.942 1.00 0.00 C ATOM 822 C ILE A 78 -8.040 -3.023 0.477 1.00 0.00 C ATOM 823 O ILE A 78 -7.806 -4.152 0.040 1.00 0.00 O ATOM 824 CB ILE A 78 -6.248 -2.505 2.163 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.658 -1.563 1.108 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.535 -3.851 2.133 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.101 -0.283 1.685 1.00 0.00 C ATOM 0 H ILE A 78 -8.245 -4.644 2.498 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.262 -1.732 2.184 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.097 -2.066 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.866 -2.084 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.431 -1.317 0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.467 -3.701 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.932 -4.491 2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.696 -4.326 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.701 0.335 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.894 0.260 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.306 -0.519 2.392 1.00 0.00 H new ATOM 839 N VAL A 79 -8.550 -2.055 -0.277 1.00 0.00 N ATOM 840 CA VAL A 79 -8.831 -2.271 -1.691 1.00 0.00 C ATOM 841 C VAL A 79 -8.239 -1.153 -2.548 1.00 0.00 C ATOM 842 O VAL A 79 -8.368 0.032 -2.238 1.00 0.00 O ATOM 843 CB VAL A 79 -10.354 -2.436 -1.975 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.193 -1.843 -0.859 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.754 -1.835 -3.319 1.00 0.00 C ATOM 0 H VAL A 79 -8.776 -1.121 0.064 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.349 -3.209 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.549 -3.507 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.250 -1.975 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.960 -2.347 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.973 -0.780 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.824 -1.973 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.521 -0.770 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.204 -2.332 -4.118 1.00 0.00 H new ATOM 855 N PHE A 80 -7.562 -1.561 -3.612 1.00 0.00 N ATOM 856 CA PHE A 80 -6.946 -0.636 -4.553 1.00 0.00 C ATOM 857 C PHE A 80 -7.886 -0.407 -5.741 1.00 0.00 C ATOM 858 O PHE A 80 -7.966 -1.245 -6.640 1.00 0.00 O ATOM 859 CB PHE A 80 -5.613 -1.210 -5.043 1.00 0.00 C ATOM 860 CG PHE A 80 -4.439 -0.879 -4.165 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.226 -1.568 -2.982 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.544 0.113 -4.529 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.142 -1.272 -2.176 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.460 0.415 -3.727 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.257 -0.279 -2.549 1.00 0.00 C ATOM 0 H PHE A 80 -7.424 -2.544 -3.847 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.762 0.316 -4.056 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.702 -2.294 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.417 -0.837 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.915 -2.345 -2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.695 0.657 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.987 -1.816 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.771 1.193 -4.021 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.409 -0.046 -1.922 1.00 0.00 H new ATOM 875 N PRO A 81 -8.599 0.736 -5.773 1.00 0.00 N ATOM 876 CA PRO A 81 -9.552 1.047 -6.853 1.00 0.00 C ATOM 877 C PRO A 81 -8.887 1.259 -8.216 1.00 0.00 C ATOM 878 O PRO A 81 -9.556 1.248 -9.248 1.00 0.00 O ATOM 879 CB PRO A 81 -10.223 2.339 -6.380 1.00 0.00 C ATOM 880 CG PRO A 81 -9.259 2.954 -5.426 1.00 0.00 C ATOM 881 CD PRO A 81 -8.533 1.814 -4.769 1.00 0.00 C ATOM 0 HA PRO A 81 -10.242 0.219 -7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.427 3.006 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.178 2.132 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.562 3.611 -5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.779 3.563 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.502 2.078 -4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.010 1.521 -3.834 1.00 0.00 H new ATOM 889 N ASP A 82 -7.572 1.451 -8.219 1.00 0.00 N ATOM 890 CA ASP A 82 -6.837 1.663 -9.462 1.00 0.00 C ATOM 891 C ASP A 82 -6.121 0.388 -9.931 1.00 0.00 C ATOM 892 O ASP A 82 -5.566 0.352 -11.029 1.00 0.00 O ATOM 893 CB ASP A 82 -5.828 2.799 -9.279 1.00 0.00 C ATOM 894 CG ASP A 82 -6.503 4.151 -9.136 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.013 4.670 -10.150 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.521 4.689 -8.005 1.00 0.00 O ATOM 0 H ASP A 82 -6.995 1.464 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.558 1.933 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.220 2.603 -8.396 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.151 2.822 -10.133 1.00 0.00 H new ATOM 901 N PHE A 83 -6.136 -0.658 -9.101 1.00 0.00 N ATOM 902 CA PHE A 83 -5.478 -1.919 -9.452 1.00 0.00 C ATOM 903 C PHE A 83 -6.453 -3.101 -9.431 1.00 0.00 C ATOM 904 O PHE A 83 -6.206 -4.127 -10.064 1.00 0.00 O ATOM 905 CB PHE A 83 -4.311 -2.188 -8.493 1.00 0.00 C ATOM 906 CG PHE A 83 -3.113 -1.319 -8.752 1.00 0.00 C ATOM 907 CD1 PHE A 83 -3.039 -0.045 -8.214 1.00 0.00 C ATOM 908 CD2 PHE A 83 -2.064 -1.774 -9.534 1.00 0.00 C ATOM 909 CE1 PHE A 83 -1.946 0.760 -8.452 1.00 0.00 C ATOM 910 CE2 PHE A 83 -0.964 -0.972 -9.775 1.00 0.00 C ATOM 911 CZ PHE A 83 -0.906 0.297 -9.232 1.00 0.00 C ATOM 0 H PHE A 83 -6.592 -0.658 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.102 -1.819 -10.470 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.649 -2.032 -7.469 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.016 -3.234 -8.576 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.848 0.322 -7.600 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.106 -2.766 -9.960 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.903 1.753 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.152 -1.337 -10.386 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.048 0.926 -9.418 1.00 0.00 H new ATOM 921 N GLY A 84 -7.558 -2.955 -8.701 1.00 0.00 N ATOM 922 CA GLY A 84 -8.537 -4.027 -8.603 1.00 0.00 C ATOM 923 C GLY A 84 -8.112 -5.098 -7.613 1.00 0.00 C ATOM 924 O GLY A 84 -8.440 -6.272 -7.770 1.00 0.00 O ATOM 0 H GLY A 84 -7.793 -2.113 -8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.498 -3.613 -8.299 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.680 -4.478 -9.585 1.00 0.00 H new ATOM 928 N VAL A 85 -7.385 -4.676 -6.585 1.00 0.00 N ATOM 929 CA VAL A 85 -6.878 -5.589 -5.564 1.00 0.00 C ATOM 930 C VAL A 85 -7.506 -5.311 -4.195 1.00 0.00 C ATOM 931 O VAL A 85 -7.370 -4.216 -3.654 1.00 0.00 O ATOM 932 CB VAL A 85 -5.339 -5.466 -5.458 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.806 -6.182 -4.227 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.674 -5.997 -6.720 1.00 0.00 C ATOM 0 H VAL A 85 -7.131 -3.700 -6.435 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.149 -6.601 -5.865 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.096 -4.409 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.722 -6.075 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.249 -5.746 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.064 -7.240 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.592 -5.903 -6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.937 -7.046 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.016 -5.423 -7.581 1.00 0.00 H new ATOM 944 N HIS A 86 -8.198 -6.304 -3.643 1.00 0.00 N ATOM 945 CA HIS A 86 -8.831 -6.164 -2.330 1.00 0.00 C ATOM 946 C HIS A 86 -8.392 -7.300 -1.401 1.00 0.00 C ATOM 947 O HIS A 86 -8.627 -8.473 -1.685 1.00 0.00 O ATOM 948 CB HIS A 86 -10.363 -6.133 -2.467 1.00 0.00 C ATOM 949 CG HIS A 86 -11.105 -6.124 -1.159 1.00 0.00 C ATOM 950 ND1 HIS A 86 -12.110 -7.023 -0.860 1.00 0.00 N ATOM 951 CD2 HIS A 86 -10.987 -5.323 -0.074 1.00 0.00 C ATOM 952 CE1 HIS A 86 -12.578 -6.771 0.350 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.913 -5.747 0.847 1.00 0.00 N ATOM 0 H HIS A 86 -8.336 -7.214 -4.082 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.511 -5.219 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.646 -5.248 -3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.681 -7.001 -3.045 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -12.440 -7.766 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -10.294 -4.503 0.045 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -13.370 -7.312 0.847 1.00 0.00 H new ATOM 961 N ALA A 87 -7.762 -6.936 -0.288 1.00 0.00 N ATOM 962 CA ALA A 87 -7.280 -7.919 0.679 1.00 0.00 C ATOM 963 C ALA A 87 -7.644 -7.529 2.114 1.00 0.00 C ATOM 964 O ALA A 87 -8.157 -6.439 2.362 1.00 0.00 O ATOM 965 CB ALA A 87 -5.773 -8.084 0.544 1.00 0.00 C ATOM 0 H ALA A 87 -7.573 -5.967 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.770 -8.869 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.421 -8.819 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.533 -8.424 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.284 -7.128 0.730 1.00 0.00 H new ATOM 971 N ASN A 88 -7.370 -8.432 3.054 1.00 0.00 N ATOM 972 CA ASN A 88 -7.663 -8.193 4.467 1.00 0.00 C ATOM 973 C ASN A 88 -6.374 -8.007 5.272 1.00 0.00 C ATOM 974 O ASN A 88 -5.328 -8.548 4.917 1.00 0.00 O ATOM 975 CB ASN A 88 -8.480 -9.352 5.055 1.00 0.00 C ATOM 976 CG ASN A 88 -8.329 -10.646 4.270 1.00 0.00 C ATOM 977 OD1 ASN A 88 -7.222 -11.100 3.998 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.448 -11.249 3.903 1.00 0.00 N ATOM 0 H ASN A 88 -6.944 -9.339 2.862 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.249 -7.277 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.170 -9.521 6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.533 -9.070 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.408 -12.121 3.376 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.351 -10.842 4.147 1.00 0.00 H new ATOM 985 N LEU A 89 -6.453 -7.241 6.357 1.00 0.00 N ATOM 986 CA LEU A 89 -5.284 -6.994 7.201 1.00 0.00 C ATOM 987 C LEU A 89 -5.428 -7.672 8.567 1.00 0.00 C ATOM 988 O LEU A 89 -6.408 -7.455 9.282 1.00 0.00 O ATOM 989 CB LEU A 89 -5.060 -5.489 7.385 1.00 0.00 C ATOM 990 CG LEU A 89 -5.084 -4.660 6.098 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.034 -3.174 6.418 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.925 -5.050 5.193 1.00 0.00 C ATOM 0 H LEU A 89 -7.308 -6.783 6.672 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.418 -7.423 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.825 -5.105 8.059 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.098 -5.339 7.876 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.017 -4.866 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.052 -2.601 5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.896 -2.904 7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.118 -2.950 6.965 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.957 -4.451 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.983 -4.872 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.004 -6.106 4.936 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.444 -8.507 8.945 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.455 -9.220 10.226 1.00 0.00 C ATOM 1006 C PRO A 90 -4.045 -8.329 11.402 1.00 0.00 C ATOM 1007 O PRO A 90 -3.028 -7.639 11.348 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.435 -10.338 10.009 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.479 -9.803 8.994 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.245 -8.819 8.146 1.00 0.00 C ATOM 0 HA PRO A 90 -5.451 -9.576 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.923 -10.590 10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.918 -11.248 9.654 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.632 -9.317 9.479 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.076 -10.609 8.381 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.656 -7.924 7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.511 -9.249 7.180 1.00 0.00 H new ATOM 1018 N MET A 91 -4.842 -8.357 12.467 1.00 0.00 N ATOM 1019 CA MET A 91 -4.574 -7.545 13.654 1.00 0.00 C ATOM 1020 C MET A 91 -3.301 -7.996 14.376 1.00 0.00 C ATOM 1021 O MET A 91 -3.162 -9.162 14.748 1.00 0.00 O ATOM 1022 CB MET A 91 -5.771 -7.600 14.608 1.00 0.00 C ATOM 1023 CG MET A 91 -5.566 -6.813 15.892 1.00 0.00 C ATOM 1024 SD MET A 91 -5.002 -5.126 15.600 1.00 0.00 S ATOM 1025 CE MET A 91 -4.145 -4.792 17.137 1.00 0.00 C ATOM 0 H MET A 91 -5.681 -8.934 12.534 1.00 0.00 H new ATOM 0 HA MET A 91 -4.419 -6.517 13.326 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.652 -7.216 14.094 1.00 0.00 H new ATOM 0 HB3 MET A 91 -5.977 -8.641 14.859 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.503 -6.786 16.449 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.838 -7.331 16.517 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.293 -3.749 17.417 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.539 -5.438 17.921 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.080 -4.985 17.009 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.378 -7.056 14.565 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.124 -7.358 15.240 1.00 0.00 C ATOM 1037 C GLY A 92 -0.054 -7.884 14.298 1.00 0.00 C ATOM 1038 O GLY A 92 1.041 -8.241 14.731 1.00 0.00 O ATOM 0 H GLY A 92 -2.476 -6.087 14.262 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.756 -6.457 15.732 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.307 -8.096 16.021 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.371 -7.926 13.007 1.00 0.00 N ATOM 1043 CA GLU A 93 0.563 -8.420 11.999 1.00 0.00 C ATOM 1044 C GLU A 93 0.592 -7.494 10.781 1.00 0.00 C ATOM 1045 O GLU A 93 -0.146 -6.509 10.718 1.00 0.00 O ATOM 1046 CB GLU A 93 0.182 -9.841 11.567 1.00 0.00 C ATOM 1047 CG GLU A 93 0.203 -10.855 12.700 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.235 -12.239 12.257 1.00 0.00 C ATOM 1049 OE1 GLU A 93 0.636 -13.030 11.839 1.00 0.00 O ATOM 1050 OE2 GLU A 93 -1.448 -12.529 12.326 1.00 0.00 O ATOM 0 H GLU A 93 -1.270 -7.623 12.633 1.00 0.00 H new ATOM 0 HA GLU A 93 1.558 -8.439 12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.815 -9.822 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.868 -10.169 10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.210 -10.912 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.450 -10.511 13.502 1.00 0.00 H new ATOM 1057 N GLU A 94 1.451 -7.807 9.819 1.00 0.00 N ATOM 1058 CA GLU A 94 1.562 -6.995 8.610 1.00 0.00 C ATOM 1059 C GLU A 94 1.214 -7.802 7.357 1.00 0.00 C ATOM 1060 O GLU A 94 1.655 -8.939 7.187 1.00 0.00 O ATOM 1061 CB GLU A 94 2.969 -6.401 8.487 1.00 0.00 C ATOM 1062 CG GLU A 94 4.087 -7.417 8.641 1.00 0.00 C ATOM 1063 CD GLU A 94 5.016 -7.102 9.797 1.00 0.00 C ATOM 1064 OE1 GLU A 94 5.979 -6.329 9.595 1.00 0.00 O ATOM 1065 OE2 GLU A 94 4.787 -7.635 10.903 1.00 0.00 O ATOM 0 H GLU A 94 2.078 -8.611 9.850 1.00 0.00 H new ATOM 0 HA GLU A 94 0.842 -6.181 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.064 -5.917 7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.091 -5.625 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.654 -8.406 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.665 -7.457 7.718 1.00 0.00 H new ATOM 1072 N TYR A 95 0.414 -7.199 6.486 1.00 0.00 N ATOM 1073 CA TYR A 95 0.001 -7.838 5.240 1.00 0.00 C ATOM 1074 C TYR A 95 0.592 -7.096 4.046 1.00 0.00 C ATOM 1075 O TYR A 95 0.411 -5.887 3.906 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.525 -7.867 5.140 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.061 -8.962 4.246 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.233 -10.253 4.729 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.399 -8.706 2.923 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.728 -11.257 3.919 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.893 -9.705 2.107 1.00 0.00 C ATOM 1082 CZ TYR A 95 -3.055 -10.979 2.609 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.550 -11.977 1.800 1.00 0.00 O ATOM 0 H TYR A 95 0.035 -6.261 6.620 1.00 0.00 H new ATOM 0 HA TYR A 95 0.372 -8.863 5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.942 -7.991 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.873 -6.904 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.976 -10.476 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.273 -7.709 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.858 -12.255 4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.151 -9.489 1.081 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.731 -11.615 0.907 1.00 0.00 H new ATOM 1093 N VAL A 96 1.299 -7.816 3.186 1.00 0.00 N ATOM 1094 CA VAL A 96 1.924 -7.197 2.024 1.00 0.00 C ATOM 1095 C VAL A 96 1.099 -7.387 0.742 1.00 0.00 C ATOM 1096 O VAL A 96 0.574 -8.468 0.467 1.00 0.00 O ATOM 1097 CB VAL A 96 3.373 -7.713 1.823 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.408 -9.048 1.088 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.209 -6.678 1.092 1.00 0.00 C ATOM 0 H VAL A 96 1.454 -8.821 3.269 1.00 0.00 H new ATOM 0 HA VAL A 96 1.963 -6.127 2.227 1.00 0.00 H new ATOM 0 HB VAL A 96 3.800 -7.877 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.442 -9.371 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.858 -9.794 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.948 -8.935 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.223 -7.057 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.767 -6.476 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.239 -5.757 1.674 1.00 0.00 H new ATOM 1109 N VAL A 97 0.962 -6.302 -0.016 1.00 0.00 N ATOM 1110 CA VAL A 97 0.228 -6.322 -1.279 1.00 0.00 C ATOM 1111 C VAL A 97 1.194 -6.147 -2.449 1.00 0.00 C ATOM 1112 O VAL A 97 1.793 -5.083 -2.618 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.853 -5.215 -1.331 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.467 -5.110 -2.723 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.931 -5.480 -0.293 1.00 0.00 C ATOM 0 H VAL A 97 1.353 -5.391 0.225 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.272 -7.288 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.373 -4.263 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.223 -4.325 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.688 -4.870 -3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.929 -6.060 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.684 -4.693 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.399 -6.444 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.484 -5.493 0.701 1.00 0.00 H new ATOM 1125 N GLU A 98 1.352 -7.196 -3.248 1.00 0.00 N ATOM 1126 CA GLU A 98 2.257 -7.156 -4.392 1.00 0.00 C ATOM 1127 C GLU A 98 1.520 -6.770 -5.676 1.00 0.00 C ATOM 1128 O GLU A 98 0.610 -7.470 -6.118 1.00 0.00 O ATOM 1129 CB GLU A 98 2.949 -8.509 -4.570 1.00 0.00 C ATOM 1130 CG GLU A 98 4.284 -8.604 -3.844 1.00 0.00 C ATOM 1131 CD GLU A 98 4.629 -10.021 -3.428 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.525 -10.935 -4.275 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.007 -10.218 -2.253 1.00 0.00 O ATOM 0 H GLU A 98 0.866 -8.084 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 98 3.009 -6.393 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.289 -9.297 -4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.108 -8.691 -5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.072 -8.218 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.257 -7.967 -2.960 1.00 0.00 H new ATOM 1140 N ILE A 99 1.926 -5.650 -6.267 1.00 0.00 N ATOM 1141 CA ILE A 99 1.312 -5.159 -7.500 1.00 0.00 C ATOM 1142 C ILE A 99 2.374 -4.712 -8.505 1.00 0.00 C ATOM 1143 O ILE A 99 3.549 -4.563 -8.163 1.00 0.00 O ATOM 1144 CB ILE A 99 0.343 -3.984 -7.232 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.770 -3.201 -5.985 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.082 -4.500 -7.080 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.013 -1.923 -5.772 1.00 0.00 C ATOM 0 H ILE A 99 2.680 -5.062 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 99 0.745 -5.991 -7.917 1.00 0.00 H new ATOM 0 HB ILE A 99 0.378 -3.306 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.653 -3.839 -5.109 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.830 -2.959 -6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.754 -3.663 -6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.384 -5.009 -7.995 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.129 -5.198 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.344 -1.423 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.123 -1.265 -6.631 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.071 -2.159 -5.660 1.00 0.00 H new ATOM 1159 N THR A 100 1.962 -4.510 -9.751 1.00 0.00 N ATOM 1160 CA THR A 100 2.887 -4.081 -10.798 1.00 0.00 C ATOM 1161 C THR A 100 2.347 -2.869 -11.561 1.00 0.00 C ATOM 1162 O THR A 100 1.536 -3.012 -12.477 1.00 0.00 O ATOM 1163 CB THR A 100 3.175 -5.219 -11.798 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.388 -6.452 -11.096 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.399 -4.901 -12.644 1.00 0.00 C ATOM 0 H THR A 100 0.999 -4.635 -10.062 1.00 0.00 H new ATOM 0 HA THR A 100 3.815 -3.803 -10.298 1.00 0.00 H new ATOM 0 HB THR A 100 2.310 -5.318 -12.454 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.568 -7.168 -11.740 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.582 -5.719 -13.341 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.227 -3.980 -13.201 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.267 -4.776 -11.996 1.00 0.00 H new ATOM 1173 N PRO A 101 2.795 -1.657 -11.186 1.00 0.00 N ATOM 1174 CA PRO A 101 2.363 -0.411 -11.836 1.00 0.00 C ATOM 1175 C PRO A 101 2.971 -0.238 -13.232 1.00 0.00 C ATOM 1176 O PRO A 101 4.124 0.163 -13.375 1.00 0.00 O ATOM 1177 CB PRO A 101 2.884 0.670 -10.888 1.00 0.00 C ATOM 1178 CG PRO A 101 4.079 0.054 -10.247 1.00 0.00 C ATOM 1179 CD PRO A 101 3.751 -1.403 -10.089 1.00 0.00 C ATOM 0 HA PRO A 101 1.285 -0.382 -11.994 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.147 1.579 -11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.133 0.945 -10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.968 0.190 -10.863 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.287 0.515 -9.282 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.640 -2.027 -10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.310 -1.613 -9.114 1.00 0.00 H new ATOM 1187 N GLU A 102 2.189 -0.541 -14.262 1.00 0.00 N ATOM 1188 CA GLU A 102 2.666 -0.423 -15.643 1.00 0.00 C ATOM 1189 C GLU A 102 2.272 0.922 -16.265 1.00 0.00 C ATOM 1190 O GLU A 102 2.540 1.174 -17.442 1.00 0.00 O ATOM 1191 CB GLU A 102 2.122 -1.576 -16.489 1.00 0.00 C ATOM 1192 CG GLU A 102 2.550 -2.950 -15.995 1.00 0.00 C ATOM 1193 CD GLU A 102 1.409 -3.951 -15.986 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.242 -3.526 -15.834 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.681 -5.162 -16.131 1.00 0.00 O ATOM 0 H GLU A 102 1.227 -0.869 -14.173 1.00 0.00 H new ATOM 0 HA GLU A 102 3.755 -0.473 -15.624 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.033 -1.526 -16.499 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.456 -1.449 -17.519 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.353 -3.326 -16.630 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.956 -2.859 -14.988 1.00 0.00 H new ATOM 1202 N GLN A 103 1.651 1.783 -15.468 1.00 0.00 N ATOM 1203 CA GLN A 103 1.221 3.098 -15.937 1.00 0.00 C ATOM 1204 C GLN A 103 1.643 4.187 -14.954 1.00 0.00 C ATOM 1205 O GLN A 103 1.482 4.038 -13.743 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.298 3.126 -16.125 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.736 3.099 -17.581 1.00 0.00 C ATOM 1208 CD GLN A 103 -2.197 3.462 -17.759 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.545 4.625 -17.937 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -3.066 2.466 -17.714 1.00 0.00 N ATOM 0 H GLN A 103 1.432 1.595 -14.490 1.00 0.00 H new ATOM 0 HA GLN A 103 1.701 3.290 -16.897 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.735 2.272 -15.608 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.697 4.023 -15.652 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.121 3.793 -18.154 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.560 2.104 -17.991 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -2.740 1.511 -17.564 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.062 2.653 -17.829 1.00 0.00 H new ATOM 1219 N ALA A 104 2.187 5.279 -15.479 1.00 0.00 N ATOM 1220 CA ALA A 104 2.632 6.390 -14.642 1.00 0.00 C ATOM 1221 C ALA A 104 1.508 7.395 -14.413 1.00 0.00 C ATOM 1222 O ALA A 104 0.923 7.919 -15.362 1.00 0.00 O ATOM 1223 CB ALA A 104 3.837 7.073 -15.270 1.00 0.00 C ATOM 0 H ALA A 104 2.331 5.420 -16.479 1.00 0.00 H new ATOM 0 HA ALA A 104 2.922 5.987 -13.672 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.158 7.899 -14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.651 6.355 -15.371 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.567 7.455 -16.254 1.00 0.00 H new ATOM 1229 N GLY A 105 1.210 7.661 -13.147 1.00 0.00 N ATOM 1230 CA GLY A 105 0.154 8.599 -12.816 1.00 0.00 C ATOM 1231 C GLY A 105 -0.177 8.616 -11.337 1.00 0.00 C ATOM 1232 O GLY A 105 0.583 8.100 -10.513 1.00 0.00 O ATOM 0 H GLY A 105 1.681 7.244 -12.344 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.453 9.600 -13.128 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.742 8.343 -13.381 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.316 9.211 -11.004 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.763 9.297 -9.619 1.00 0.00 C ATOM 1238 C GLU A 106 -2.761 8.187 -9.304 1.00 0.00 C ATOM 1239 O GLU A 106 -3.857 8.138 -9.862 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.394 10.661 -9.343 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.675 11.459 -8.268 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.328 12.803 -8.008 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -3.234 12.867 -7.147 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -1.943 13.790 -8.669 1.00 0.00 O ATOM 0 H GLU A 106 -1.949 9.643 -11.677 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.892 9.176 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.406 11.240 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.432 10.518 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.657 10.883 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.638 11.614 -8.567 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.368 7.301 -8.404 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.206 6.180 -7.996 1.00 0.00 C ATOM 1253 C PHE A 107 -3.663 6.369 -6.548 1.00 0.00 C ATOM 1254 O PHE A 107 -3.211 7.291 -5.868 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.436 4.864 -8.168 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.120 4.526 -9.605 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -2.974 4.898 -10.635 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -0.965 3.830 -9.923 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -2.682 4.582 -11.947 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -0.669 3.511 -11.235 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.528 3.888 -12.247 1.00 0.00 C ATOM 0 H PHE A 107 -1.463 7.336 -7.936 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.093 6.140 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.504 4.923 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.020 4.053 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.879 5.442 -10.407 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.288 3.533 -9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.356 4.878 -12.737 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.234 2.967 -11.468 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.297 3.640 -13.273 1.00 0.00 H new ATOM 1271 N SER A 108 -4.551 5.505 -6.067 1.00 0.00 N ATOM 1272 CA SER A 108 -5.059 5.639 -4.702 1.00 0.00 C ATOM 1273 C SER A 108 -5.494 4.302 -4.105 1.00 0.00 C ATOM 1274 O SER A 108 -5.656 3.306 -4.814 1.00 0.00 O ATOM 1275 CB SER A 108 -6.244 6.607 -4.684 1.00 0.00 C ATOM 1276 OG SER A 108 -7.309 6.128 -5.492 1.00 0.00 O ATOM 0 H SER A 108 -4.930 4.716 -6.590 1.00 0.00 H new ATOM 0 HA SER A 108 -4.241 6.023 -4.092 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.592 6.741 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.924 7.585 -5.042 1.00 0.00 H new ATOM 0 HG SER A 108 -6.948 5.764 -6.327 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.670 4.300 -2.784 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.108 3.116 -2.045 1.00 0.00 C ATOM 1284 C PHE A 109 -6.864 3.526 -0.777 1.00 0.00 C ATOM 1285 O PHE A 109 -6.448 4.446 -0.069 1.00 0.00 O ATOM 1286 CB PHE A 109 -4.919 2.207 -1.690 1.00 0.00 C ATOM 1287 CG PHE A 109 -3.793 2.892 -0.959 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.800 3.563 -1.657 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -3.720 2.853 0.426 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.762 4.184 -0.989 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.683 3.471 1.099 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.703 4.136 0.391 1.00 0.00 C ATOM 0 H PHE A 109 -5.513 5.119 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.782 2.550 -2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.282 1.382 -1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.525 1.773 -2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.839 3.601 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.483 2.333 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.997 4.706 -1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.640 3.433 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.891 4.618 0.915 1.00 0.00 H new ATOM 1302 N ALA A 110 -7.977 2.849 -0.496 1.00 0.00 N ATOM 1303 CA ALA A 110 -8.787 3.165 0.682 1.00 0.00 C ATOM 1304 C ALA A 110 -9.732 2.018 1.047 1.00 0.00 C ATOM 1305 O ALA A 110 -9.788 1.003 0.355 1.00 0.00 O ATOM 1306 CB ALA A 110 -9.584 4.441 0.438 1.00 0.00 C ATOM 0 H ALA A 110 -8.338 2.082 -1.064 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.108 3.313 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.184 4.669 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.899 5.266 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.240 4.302 -0.421 1.00 0.00 H new ATOM 1312 N CYS A 111 -10.467 2.185 2.146 1.00 0.00 N ATOM 1313 CA CYS A 111 -11.420 1.171 2.592 1.00 0.00 C ATOM 1314 C CYS A 111 -12.773 1.798 2.926 1.00 0.00 C ATOM 1315 O CYS A 111 -12.843 2.818 3.612 1.00 0.00 O ATOM 1316 CB CYS A 111 -10.882 0.425 3.814 1.00 0.00 C ATOM 1317 SG CYS A 111 -11.961 -0.904 4.401 1.00 0.00 S ATOM 0 H CYS A 111 -10.421 3.011 2.742 1.00 0.00 H new ATOM 0 HA CYS A 111 -11.556 0.463 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -9.906 0.005 3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -10.729 1.138 4.624 1.00 0.00 H new ATOM 0 HG CYS A 111 -11.259 -1.981 4.591 1.00 0.00 H new ATOM 1323 N GLY A 112 -13.844 1.186 2.431 1.00 0.00 N ATOM 1324 CA GLY A 112 -15.181 1.698 2.690 1.00 0.00 C ATOM 1325 C GLY A 112 -15.697 2.590 1.574 1.00 0.00 C ATOM 1326 O GLY A 112 -15.558 2.266 0.396 1.00 0.00 O ATOM 0 H GLY A 112 -13.812 0.345 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.866 0.861 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.175 2.259 3.624 1.00 0.00 H new ATOM 1330 N MET A 113 -16.300 3.715 1.949 1.00 0.00 N ATOM 1331 CA MET A 113 -16.843 4.659 0.969 1.00 0.00 C ATOM 1332 C MET A 113 -16.224 6.051 1.146 1.00 0.00 C ATOM 1333 O MET A 113 -15.130 6.318 0.652 1.00 0.00 O ATOM 1334 CB MET A 113 -18.373 4.732 1.079 1.00 0.00 C ATOM 1335 CG MET A 113 -18.922 4.296 2.432 1.00 0.00 C ATOM 1336 SD MET A 113 -20.717 4.138 2.437 1.00 0.00 S ATOM 1337 CE MET A 113 -21.027 3.872 4.182 1.00 0.00 C ATOM 0 H MET A 113 -16.426 3.997 2.921 1.00 0.00 H new ATOM 0 HA MET A 113 -16.585 4.298 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 113 -18.692 5.756 0.882 1.00 0.00 H new ATOM 0 HB3 MET A 113 -18.812 4.106 0.302 1.00 0.00 H new ATOM 0 HG2 MET A 113 -18.477 3.341 2.709 1.00 0.00 H new ATOM 0 HG3 MET A 113 -18.623 5.019 3.191 1.00 0.00 H new ATOM 0 HE1 MET A 113 -22.098 3.755 4.348 1.00 0.00 H new ATOM 0 HE2 MET A 113 -20.509 2.971 4.510 1.00 0.00 H new ATOM 0 HE3 MET A 113 -20.663 4.728 4.751 1.00 0.00 H new ATOM 1347 N ASN A 114 -16.922 6.933 1.859 1.00 0.00 N ATOM 1348 CA ASN A 114 -16.432 8.292 2.097 1.00 0.00 C ATOM 1349 C ASN A 114 -15.525 8.350 3.332 1.00 0.00 C ATOM 1350 O ASN A 114 -15.803 9.072 4.291 1.00 0.00 O ATOM 1351 CB ASN A 114 -17.610 9.263 2.260 1.00 0.00 C ATOM 1352 CG ASN A 114 -18.742 8.679 3.089 1.00 0.00 C ATOM 1353 OD1 ASN A 114 -19.553 7.902 2.594 1.00 0.00 O ATOM 1354 ND2 ASN A 114 -18.800 9.048 4.358 1.00 0.00 N ATOM 0 H ASN A 114 -17.828 6.732 2.282 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.842 8.590 1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -17.257 10.180 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -17.990 9.536 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -19.537 8.684 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -18.107 9.696 4.733 1.00 0.00 H new ATOM 1361 N MET A 115 -14.433 7.591 3.295 1.00 0.00 N ATOM 1362 CA MET A 115 -13.487 7.546 4.408 1.00 0.00 C ATOM 1363 C MET A 115 -12.092 7.144 3.927 1.00 0.00 C ATOM 1364 O MET A 115 -11.885 6.902 2.736 1.00 0.00 O ATOM 1365 CB MET A 115 -13.970 6.560 5.477 1.00 0.00 C ATOM 1366 CG MET A 115 -14.077 7.165 6.869 1.00 0.00 C ATOM 1367 SD MET A 115 -12.948 6.396 8.046 1.00 0.00 S ATOM 1368 CE MET A 115 -11.966 7.807 8.547 1.00 0.00 C ATOM 0 H MET A 115 -14.180 6.997 2.505 1.00 0.00 H new ATOM 0 HA MET A 115 -13.430 8.545 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 115 -14.945 6.171 5.185 1.00 0.00 H new ATOM 0 HB3 MET A 115 -13.286 5.712 5.511 1.00 0.00 H new ATOM 0 HG2 MET A 115 -13.867 8.233 6.814 1.00 0.00 H new ATOM 0 HG3 MET A 115 -15.100 7.059 7.230 1.00 0.00 H new ATOM 0 HE1 MET A 115 -11.050 7.461 9.026 1.00 0.00 H new ATOM 0 HE2 MET A 115 -11.714 8.404 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 115 -12.535 8.416 9.249 1.00 0.00 H new ATOM 1378 N MET A 116 -11.144 7.086 4.871 1.00 0.00 N ATOM 1379 CA MET A 116 -9.751 6.710 4.587 1.00 0.00 C ATOM 1380 C MET A 116 -9.015 7.779 3.773 1.00 0.00 C ATOM 1381 O MET A 116 -9.600 8.776 3.348 1.00 0.00 O ATOM 1382 CB MET A 116 -9.685 5.360 3.862 1.00 0.00 C ATOM 1383 CG MET A 116 -9.338 4.191 4.767 1.00 0.00 C ATOM 1384 SD MET A 116 -10.546 3.947 6.080 1.00 0.00 S ATOM 1385 CE MET A 116 -9.617 4.544 7.486 1.00 0.00 C ATOM 0 H MET A 116 -11.320 7.298 5.853 1.00 0.00 H new ATOM 0 HA MET A 116 -9.248 6.623 5.550 1.00 0.00 H new ATOM 0 HB2 MET A 116 -10.647 5.166 3.388 1.00 0.00 H new ATOM 0 HB3 MET A 116 -8.944 5.422 3.065 1.00 0.00 H new ATOM 0 HG2 MET A 116 -9.268 3.282 4.169 1.00 0.00 H new ATOM 0 HG3 MET A 116 -8.356 4.358 5.209 1.00 0.00 H new ATOM 0 HE1 MET A 116 -9.985 4.067 8.394 1.00 0.00 H new ATOM 0 HE2 MET A 116 -8.562 4.305 7.353 1.00 0.00 H new ATOM 0 HE3 MET A 116 -9.737 5.624 7.569 1.00 0.00 H new ATOM 1395 N HIS A 117 -7.715 7.568 3.578 1.00 0.00 N ATOM 1396 CA HIS A 117 -6.887 8.501 2.818 1.00 0.00 C ATOM 1397 C HIS A 117 -5.555 7.860 2.429 1.00 0.00 C ATOM 1398 O HIS A 117 -4.648 7.745 3.254 1.00 0.00 O ATOM 1399 CB HIS A 117 -6.634 9.772 3.640 1.00 0.00 C ATOM 1400 CG HIS A 117 -5.998 10.886 2.862 1.00 0.00 C ATOM 1401 ND1 HIS A 117 -4.632 11.041 2.746 1.00 0.00 N ATOM 1402 CD2 HIS A 117 -6.550 11.905 2.161 1.00 0.00 C ATOM 1403 CE1 HIS A 117 -4.371 12.105 2.009 1.00 0.00 C ATOM 1404 NE2 HIS A 117 -5.517 12.645 1.640 1.00 0.00 N ATOM 0 H HIS A 117 -7.212 6.757 3.937 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.422 8.763 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.582 10.123 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.995 9.523 4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -7.605 12.099 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -3.388 12.471 1.752 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -5.619 13.478 1.061 1.00 0.00 H new ATOM 1412 N GLY A 118 -5.438 7.470 1.166 1.00 0.00 N ATOM 1413 CA GLY A 118 -4.214 6.849 0.687 1.00 0.00 C ATOM 1414 C GLY A 118 -3.969 7.117 -0.786 1.00 0.00 C ATOM 1415 O GLY A 118 -4.806 6.793 -1.629 1.00 0.00 O ATOM 0 H GLY A 118 -6.169 7.572 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.370 7.221 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.266 5.773 0.854 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.821 7.707 -1.099 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.478 8.028 -2.481 1.00 0.00 C ATOM 1421 C LYS A 119 -1.158 7.382 -2.904 1.00 0.00 C ATOM 1422 O LYS A 119 -0.274 7.144 -2.080 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.387 9.544 -2.650 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.903 10.044 -3.988 1.00 0.00 C ATOM 1425 CD LYS A 119 -2.630 11.529 -4.165 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.779 12.374 -3.638 1.00 0.00 C ATOM 1427 NZ LYS A 119 -4.390 13.214 -4.707 1.00 0.00 N ATOM 0 H LYS A 119 -2.112 7.973 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.264 7.628 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -2.952 10.024 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.348 9.851 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.428 9.486 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.975 9.858 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.711 11.796 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.471 11.747 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.541 11.723 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.418 13.016 -2.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.050 14.193 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.121 12.839 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.426 13.197 -4.613 1.00 0.00 H new ATOM 1441 N MET A 120 -1.037 7.100 -4.196 1.00 0.00 N ATOM 1442 CA MET A 120 0.173 6.493 -4.746 1.00 0.00 C ATOM 1443 C MET A 120 0.598 7.201 -6.034 1.00 0.00 C ATOM 1444 O MET A 120 -0.215 7.422 -6.925 1.00 0.00 O ATOM 1445 CB MET A 120 -0.062 5.006 -5.025 1.00 0.00 C ATOM 1446 CG MET A 120 1.200 4.255 -5.421 1.00 0.00 C ATOM 1447 SD MET A 120 0.954 3.191 -6.852 1.00 0.00 S ATOM 1448 CE MET A 120 0.376 1.695 -6.064 1.00 0.00 C ATOM 0 H MET A 120 -1.765 7.282 -4.887 1.00 0.00 H new ATOM 0 HA MET A 120 0.971 6.599 -4.011 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.488 4.541 -4.136 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.799 4.906 -5.821 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.992 4.972 -5.638 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.539 3.652 -4.579 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.674 0.832 -6.659 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.811 1.617 -5.068 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.711 1.722 -5.984 1.00 0.00 H new ATOM 1458 N ILE A 121 1.871 7.559 -6.129 1.00 0.00 N ATOM 1459 CA ILE A 121 2.376 8.236 -7.321 1.00 0.00 C ATOM 1460 C ILE A 121 3.416 7.371 -8.033 1.00 0.00 C ATOM 1461 O ILE A 121 4.467 7.052 -7.474 1.00 0.00 O ATOM 1462 CB ILE A 121 2.985 9.620 -6.987 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.914 10.551 -6.409 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.602 10.249 -8.231 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.876 10.573 -4.897 1.00 0.00 C ATOM 0 H ILE A 121 2.569 7.395 -5.404 1.00 0.00 H new ATOM 0 HA ILE A 121 1.525 8.395 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 121 3.768 9.476 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.090 11.563 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.938 10.243 -6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.025 11.221 -7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.390 9.600 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.834 10.376 -8.994 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.093 11.254 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.668 9.570 -4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.839 10.911 -4.514 1.00 0.00 H new ATOM 1477 N VAL A 122 3.110 6.991 -9.269 1.00 0.00 N ATOM 1478 CA VAL A 122 4.011 6.153 -10.054 1.00 0.00 C ATOM 1479 C VAL A 122 4.788 6.982 -11.081 1.00 0.00 C ATOM 1480 O VAL A 122 4.203 7.658 -11.927 1.00 0.00 O ATOM 1481 CB VAL A 122 3.236 5.024 -10.770 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.141 4.256 -11.723 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.614 4.085 -9.750 1.00 0.00 C ATOM 0 H VAL A 122 2.247 7.249 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 122 4.723 5.705 -9.360 1.00 0.00 H new ATOM 0 HB VAL A 122 2.440 5.478 -11.360 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.569 3.468 -12.213 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.538 4.937 -12.476 1.00 0.00 H new ATOM 0 HG13 VAL A 122 4.965 3.812 -11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.071 3.294 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.399 3.644 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.926 4.642 -9.115 1.00 0.00 H new ATOM 1493 N GLU A 123 6.114 6.919 -10.999 1.00 0.00 N ATOM 1494 CA GLU A 123 6.979 7.668 -11.912 1.00 0.00 C ATOM 1495 C GLU A 123 7.245 6.883 -13.199 1.00 0.00 C ATOM 1496 O GLU A 123 8.046 5.922 -13.149 1.00 0.00 O ATOM 1497 CB GLU A 123 8.305 8.012 -11.226 1.00 0.00 C ATOM 1498 CG GLU A 123 8.154 8.959 -10.043 1.00 0.00 C ATOM 1499 CD GLU A 123 9.468 9.600 -9.635 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.791 10.681 -10.169 1.00 0.00 O ATOM 1501 OE2 GLU A 123 10.172 9.020 -8.783 1.00 0.00 O ATOM 0 H GLU A 123 6.615 6.358 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 123 6.462 8.590 -12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.777 7.091 -10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 123 8.976 8.462 -11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.437 9.740 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.742 8.412 -9.195 1.00 0.00 H new TER 1508 GLU A 123