USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 719 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 41 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 TYR OH : rot 80:sc= 0.00898 USER MOD Set 2.1: A 46 MET CE :methyl 161:sc= -0.0883 (180deg=-0.631) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 25 HIS : no HD1:sc= -0.0539 X(o=0.39,f=0.25) USER MOD Set 3.2: A 29 GLN : amide:sc= 0.0134 K(o=0.39,f=-0.24) USER MOD Set 3.3: A 32 THR OG1 : rot 176:sc= 0.433 USER MOD Set 4.1: A 10 GLN : amide:sc= 0.133 X(o=0.86,f=0.6) USER MOD Set 4.2: A 26 CYS SG : rot 69:sc= 0.73 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.543 K(o=0.54,f=-3.3!) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 2.43 (180deg=1.74) USER MOD Single : A 12 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0132) USER MOD Single : A 17 GLN : amide:sc= 0.844 K(o=0.84,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 50:sc= 0.497 USER MOD Single : A 34 GLN : amide:sc= 0.274 X(o=0.27,f=0.47) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -25:sc= 0.503 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 59 GLN : amide:sc= -0.182 K(o=-0.18,f=-0.99) USER MOD Single : A 60 MET CE :methyl -132:sc= 0 (180deg=-0.711) USER MOD Single : A 61 CYS SG : rot 74:sc= 0.025 USER MOD Single : A 62 GLN : amide:sc= 0.679 K(o=0.68,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.336 F(o=-0.34,f=0.34) USER MOD Single : A 68 THR OG1 : rot -74:sc= 0.975 USER MOD Single : A 69 SER OG : rot 92:sc= 1.22 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.33) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.0866 F(o=-0.66,f=-0.087) USER MOD Single : A 82 TYR OH : rot 130:sc= 0.548 USER MOD Single : A 88 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 17.161 9.649 -9.505 1.00 0.00 N ATOM 31 CA GLN A 3 17.292 9.603 -8.043 1.00 0.00 C ATOM 32 C GLN A 3 15.960 9.820 -7.297 1.00 0.00 C ATOM 33 O GLN A 3 15.824 9.361 -6.158 1.00 0.00 O ATOM 34 CB GLN A 3 18.385 10.586 -7.589 1.00 0.00 C ATOM 35 CG GLN A 3 19.776 10.025 -7.924 1.00 0.00 C ATOM 36 CD GLN A 3 20.914 10.867 -7.363 1.00 0.00 C ATOM 37 OE1 GLN A 3 21.581 11.615 -8.070 1.00 0.00 O ATOM 38 NE2 GLN A 3 21.196 10.784 -6.079 1.00 0.00 N ATOM 0 HA GLN A 3 17.595 8.591 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.245 11.549 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 3 18.304 10.761 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 3 19.856 9.011 -7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.882 9.958 -9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.652 10.167 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 3 21.959 11.337 -5.688 1.00 0.00 H new ATOM 47 N PHE A 4 14.948 10.415 -7.943 1.00 0.00 N ATOM 48 CA PHE A 4 13.589 10.525 -7.398 1.00 0.00 C ATOM 49 C PHE A 4 12.716 9.276 -7.627 1.00 0.00 C ATOM 50 O PHE A 4 11.714 9.086 -6.934 1.00 0.00 O ATOM 51 CB PHE A 4 12.950 11.866 -7.801 1.00 0.00 C ATOM 52 CG PHE A 4 11.553 11.824 -8.400 1.00 0.00 C ATOM 53 CD1 PHE A 4 11.298 11.128 -9.599 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.513 12.530 -7.774 1.00 0.00 C ATOM 55 CE1 PHE A 4 10.007 11.131 -10.155 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.218 12.527 -8.324 1.00 0.00 C ATOM 57 CZ PHE A 4 8.968 11.833 -9.520 1.00 0.00 C ATOM 0 H PHE A 4 15.051 10.837 -8.866 1.00 0.00 H new ATOM 0 HA PHE A 4 13.667 10.545 -6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.918 12.503 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.610 12.351 -8.520 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.096 10.592 -10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.708 13.079 -6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.813 10.593 -11.071 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.418 13.057 -7.828 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.978 11.839 -9.951 1.00 0.00 H new ATOM 67 N GLU A 5 13.115 8.378 -8.527 1.00 0.00 N ATOM 68 CA GLU A 5 12.672 6.982 -8.507 1.00 0.00 C ATOM 69 C GLU A 5 13.392 6.262 -7.366 1.00 0.00 C ATOM 70 O GLU A 5 12.756 5.727 -6.461 1.00 0.00 O ATOM 71 CB GLU A 5 12.957 6.289 -9.847 1.00 0.00 C ATOM 72 CG GLU A 5 12.502 7.044 -11.099 1.00 0.00 C ATOM 73 CD GLU A 5 10.980 7.083 -11.286 1.00 0.00 C ATOM 74 OE1 GLU A 5 10.540 6.962 -12.457 1.00 0.00 O ATOM 75 OE2 GLU A 5 10.213 7.271 -10.311 1.00 0.00 O ATOM 0 H GLU A 5 13.754 8.596 -9.291 1.00 0.00 H new ATOM 0 HA GLU A 5 11.594 6.947 -8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.030 6.113 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.473 5.312 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.878 8.066 -11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.954 6.579 -11.975 1.00 0.00 H new ATOM 83 N LYS A 6 14.727 6.365 -7.328 1.00 0.00 N ATOM 84 CA LYS A 6 15.580 5.687 -6.346 1.00 0.00 C ATOM 85 C LYS A 6 15.130 5.940 -4.906 1.00 0.00 C ATOM 86 O LYS A 6 15.075 4.996 -4.131 1.00 0.00 O ATOM 87 CB LYS A 6 17.044 6.084 -6.611 1.00 0.00 C ATOM 88 CG LYS A 6 18.055 4.954 -6.351 1.00 0.00 C ATOM 89 CD LYS A 6 18.516 4.784 -4.893 1.00 0.00 C ATOM 90 CE LYS A 6 19.267 5.995 -4.316 1.00 0.00 C ATOM 91 NZ LYS A 6 20.620 6.166 -4.897 1.00 0.00 N ATOM 0 H LYS A 6 15.253 6.933 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 6 15.489 4.608 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 6 17.139 6.412 -7.646 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.298 6.937 -5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.613 4.015 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 6 18.934 5.130 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.644 4.583 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.162 3.908 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.683 6.898 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.353 5.881 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.078 6.997 -4.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.191 5.318 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.542 6.303 -5.925 1.00 0.00 H new ATOM 105 N GLN A 7 14.704 7.158 -4.551 1.00 0.00 N ATOM 106 CA GLN A 7 14.210 7.466 -3.208 1.00 0.00 C ATOM 107 C GLN A 7 12.820 6.877 -2.873 1.00 0.00 C ATOM 108 O GLN A 7 12.576 6.565 -1.708 1.00 0.00 O ATOM 109 CB GLN A 7 14.318 8.981 -2.972 1.00 0.00 C ATOM 110 CG GLN A 7 13.197 9.848 -3.543 1.00 0.00 C ATOM 111 CD GLN A 7 13.577 11.327 -3.476 1.00 0.00 C ATOM 112 OE1 GLN A 7 14.102 11.907 -4.418 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.345 12.005 -2.379 1.00 0.00 N ATOM 0 H GLN A 7 14.693 7.955 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 7 14.852 6.951 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.368 9.155 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.262 9.324 -3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.000 9.564 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.277 9.677 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.909 11.547 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.601 12.991 -2.325 1.00 0.00 H new ATOM 122 N LYS A 8 11.921 6.657 -3.855 1.00 0.00 N ATOM 123 CA LYS A 8 10.628 5.967 -3.620 1.00 0.00 C ATOM 124 C LYS A 8 10.765 4.443 -3.610 1.00 0.00 C ATOM 125 O LYS A 8 10.100 3.775 -2.820 1.00 0.00 O ATOM 126 CB LYS A 8 9.508 6.449 -4.572 1.00 0.00 C ATOM 127 CG LYS A 8 9.673 6.135 -6.065 1.00 0.00 C ATOM 128 CD LYS A 8 8.435 6.485 -6.909 1.00 0.00 C ATOM 129 CE LYS A 8 8.202 7.989 -7.141 1.00 0.00 C ATOM 130 NZ LYS A 8 9.169 8.565 -8.111 1.00 0.00 N ATOM 0 H LYS A 8 12.064 6.947 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 8 10.318 6.254 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.568 6.011 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.413 7.529 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.532 6.684 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.894 5.074 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.525 5.994 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.554 6.068 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.187 8.145 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.284 8.518 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.782 9.446 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.067 8.768 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.336 7.885 -8.880 1.00 0.00 H new ATOM 144 N GLU A 9 11.662 3.905 -4.433 1.00 0.00 N ATOM 145 CA GLU A 9 11.946 2.468 -4.515 1.00 0.00 C ATOM 146 C GLU A 9 12.798 1.998 -3.318 1.00 0.00 C ATOM 147 O GLU A 9 12.469 0.988 -2.688 1.00 0.00 O ATOM 148 CB GLU A 9 12.595 2.146 -5.876 1.00 0.00 C ATOM 149 CG GLU A 9 11.725 2.585 -7.074 1.00 0.00 C ATOM 150 CD GLU A 9 12.259 2.065 -8.421 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.440 1.687 -9.297 1.00 0.00 O ATOM 152 OE2 GLU A 9 13.497 2.089 -8.643 1.00 0.00 O ATOM 0 H GLU A 9 12.224 4.463 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 9 11.012 1.910 -4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.565 2.640 -5.937 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.779 1.074 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.706 2.225 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.677 3.674 -7.103 1.00 0.00 H new ATOM 160 N GLN A 10 13.802 2.788 -2.906 1.00 0.00 N ATOM 161 CA GLN A 10 14.515 2.609 -1.636 1.00 0.00 C ATOM 162 C GLN A 10 13.561 2.714 -0.444 1.00 0.00 C ATOM 163 O GLN A 10 13.691 1.935 0.494 1.00 0.00 O ATOM 164 CB GLN A 10 15.659 3.634 -1.494 1.00 0.00 C ATOM 165 CG GLN A 10 16.378 3.508 -0.140 1.00 0.00 C ATOM 166 CD GLN A 10 17.675 4.303 -0.065 1.00 0.00 C ATOM 167 OE1 GLN A 10 18.734 3.813 -0.436 1.00 0.00 O ATOM 168 NE2 GLN A 10 17.662 5.524 0.427 1.00 0.00 N ATOM 0 H GLN A 10 14.144 3.578 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 10 14.946 1.608 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.377 3.490 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.258 4.642 -1.600 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.708 3.845 0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.594 2.457 0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 10 16.784 5.939 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.530 6.055 0.497 1.00 0.00 H new ATOM 177 N GLY A 11 12.588 3.632 -0.468 1.00 0.00 N ATOM 178 CA GLY A 11 11.602 3.771 0.603 1.00 0.00 C ATOM 179 C GLY A 11 10.891 2.449 0.921 1.00 0.00 C ATOM 180 O GLY A 11 10.911 2.005 2.070 1.00 0.00 O ATOM 0 H GLY A 11 12.464 4.298 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.096 4.140 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.862 4.518 0.317 1.00 0.00 H new ATOM 184 N ASN A 12 10.358 1.756 -0.091 1.00 0.00 N ATOM 185 CA ASN A 12 9.715 0.452 0.111 1.00 0.00 C ATOM 186 C ASN A 12 10.733 -0.621 0.559 1.00 0.00 C ATOM 187 O ASN A 12 10.461 -1.378 1.490 1.00 0.00 O ATOM 188 CB ASN A 12 8.951 0.059 -1.169 1.00 0.00 C ATOM 189 CG ASN A 12 7.897 -1.023 -0.944 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.404 -1.251 0.152 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.484 -1.692 -1.990 1.00 0.00 N ATOM 0 H ASN A 12 10.359 2.076 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 12 8.993 0.525 0.925 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.468 0.945 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.665 -0.290 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.755 -2.398 -1.888 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.891 -1.507 -2.907 1.00 0.00 H new ATOM 198 N SER A 13 11.938 -0.632 -0.026 1.00 0.00 N ATOM 199 CA SER A 13 13.041 -1.536 0.353 1.00 0.00 C ATOM 200 C SER A 13 13.436 -1.402 1.839 1.00 0.00 C ATOM 201 O SER A 13 13.575 -2.400 2.552 1.00 0.00 O ATOM 202 CB SER A 13 14.238 -1.243 -0.563 1.00 0.00 C ATOM 203 OG SER A 13 15.276 -2.190 -0.408 1.00 0.00 O ATOM 0 H SER A 13 12.182 -0.002 -0.791 1.00 0.00 H new ATOM 0 HA SER A 13 12.708 -2.566 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.906 -1.238 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.623 -0.246 -0.347 1.00 0.00 H new ATOM 0 HG SER A 13 16.016 -1.966 -1.010 1.00 0.00 H new ATOM 209 N LEU A 14 13.527 -0.174 2.360 1.00 0.00 N ATOM 210 CA LEU A 14 13.781 0.122 3.777 1.00 0.00 C ATOM 211 C LEU A 14 12.606 -0.306 4.680 1.00 0.00 C ATOM 212 O LEU A 14 12.829 -0.822 5.780 1.00 0.00 O ATOM 213 CB LEU A 14 14.067 1.629 3.916 1.00 0.00 C ATOM 214 CG LEU A 14 15.405 2.132 3.338 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.447 3.658 3.448 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.632 1.585 4.062 1.00 0.00 C ATOM 0 H LEU A 14 13.423 0.667 1.792 1.00 0.00 H new ATOM 0 HA LEU A 14 14.645 -0.454 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.259 2.176 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.035 1.886 4.975 1.00 0.00 H new ATOM 0 HG LEU A 14 15.446 1.782 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.389 4.026 3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.617 4.086 2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.364 3.950 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.535 1.983 3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.599 1.884 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.639 0.497 3.995 1.00 0.00 H new ATOM 228 N PHE A 15 11.360 -0.182 4.210 1.00 0.00 N ATOM 229 CA PHE A 15 10.171 -0.693 4.910 1.00 0.00 C ATOM 230 C PHE A 15 10.062 -2.228 4.926 1.00 0.00 C ATOM 231 O PHE A 15 9.510 -2.784 5.875 1.00 0.00 O ATOM 232 CB PHE A 15 8.900 -0.069 4.316 1.00 0.00 C ATOM 233 CG PHE A 15 8.504 1.243 4.960 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.046 1.240 6.287 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.536 2.453 4.243 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.683 2.441 6.914 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.169 3.655 4.870 1.00 0.00 C ATOM 238 CZ PHE A 15 7.745 3.650 6.209 1.00 0.00 C ATOM 0 H PHE A 15 11.144 0.279 3.326 1.00 0.00 H new ATOM 0 HA PHE A 15 10.282 -0.395 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.050 0.092 3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.077 -0.776 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.973 0.308 6.828 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.844 2.458 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.355 2.434 7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.213 4.584 4.322 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.468 4.575 6.693 1.00 0.00 H new ATOM 248 N LYS A 16 10.613 -2.931 3.926 1.00 0.00 N ATOM 249 CA LYS A 16 10.743 -4.410 3.916 1.00 0.00 C ATOM 250 C LYS A 16 11.828 -4.921 4.886 1.00 0.00 C ATOM 251 O LYS A 16 11.869 -6.111 5.217 1.00 0.00 O ATOM 252 CB LYS A 16 11.003 -4.898 2.473 1.00 0.00 C ATOM 253 CG LYS A 16 9.758 -5.349 1.682 1.00 0.00 C ATOM 254 CD LYS A 16 8.764 -4.257 1.241 1.00 0.00 C ATOM 255 CE LYS A 16 7.853 -3.669 2.333 1.00 0.00 C ATOM 256 NZ LYS A 16 6.901 -4.670 2.855 1.00 0.00 N ATOM 0 H LYS A 16 10.988 -2.490 3.086 1.00 0.00 H new ATOM 0 HA LYS A 16 9.802 -4.829 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.490 -4.095 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.706 -5.730 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.098 -5.875 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.216 -6.072 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.332 -3.440 0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.131 -4.670 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.465 -3.290 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.302 -2.821 1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.251 -4.214 3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.357 -5.076 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.424 -5.427 3.340 1.00 0.00 H new ATOM 270 N GLN A 17 12.690 -4.026 5.370 1.00 0.00 N ATOM 271 CA GLN A 17 13.736 -4.317 6.362 1.00 0.00 C ATOM 272 C GLN A 17 13.326 -3.928 7.791 1.00 0.00 C ATOM 273 O GLN A 17 13.373 -4.772 8.683 1.00 0.00 O ATOM 274 CB GLN A 17 15.043 -3.624 5.967 1.00 0.00 C ATOM 275 CG GLN A 17 15.710 -4.329 4.779 1.00 0.00 C ATOM 276 CD GLN A 17 16.769 -3.428 4.175 1.00 0.00 C ATOM 277 OE1 GLN A 17 17.958 -3.530 4.462 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.351 -2.489 3.361 1.00 0.00 N ATOM 0 H GLN A 17 12.683 -3.049 5.077 1.00 0.00 H new ATOM 0 HA GLN A 17 13.885 -5.397 6.365 1.00 0.00 H new ATOM 0 HB2 GLN A 17 14.842 -2.584 5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.725 -3.616 6.818 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.161 -5.266 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 17 14.962 -4.581 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.360 -2.417 3.132 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.017 -1.831 2.957 1.00 0.00 H new ATOM 287 N GLY A 18 12.910 -2.676 8.008 1.00 0.00 N ATOM 288 CA GLY A 18 12.628 -2.119 9.345 1.00 0.00 C ATOM 289 C GLY A 18 13.180 -0.707 9.600 1.00 0.00 C ATOM 290 O GLY A 18 13.248 -0.288 10.753 1.00 0.00 O ATOM 0 H GLY A 18 12.756 -2.008 7.253 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.548 -2.101 9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.041 -2.793 10.095 1.00 0.00 H new ATOM 294 N LEU A 19 13.585 0.021 8.554 1.00 0.00 N ATOM 295 CA LEU A 19 14.193 1.360 8.608 1.00 0.00 C ATOM 296 C LEU A 19 13.153 2.429 8.250 1.00 0.00 C ATOM 297 O LEU A 19 13.270 3.173 7.279 1.00 0.00 O ATOM 298 CB LEU A 19 15.471 1.360 7.747 1.00 0.00 C ATOM 299 CG LEU A 19 16.596 0.467 8.310 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.731 0.345 7.296 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.179 1.026 9.609 1.00 0.00 C ATOM 0 H LEU A 19 13.494 -0.322 7.598 1.00 0.00 H new ATOM 0 HA LEU A 19 14.512 1.619 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.221 1.024 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.840 2.382 7.659 1.00 0.00 H new ATOM 0 HG LEU A 19 16.151 -0.507 8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.518 -0.288 7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.351 -0.099 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.135 1.334 7.082 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.967 0.365 9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.593 2.017 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.393 1.095 10.361 1.00 0.00 H new ATOM 313 N TYR A 20 12.073 2.435 9.033 1.00 0.00 N ATOM 314 CA TYR A 20 10.848 3.189 8.761 1.00 0.00 C ATOM 315 C TYR A 20 11.053 4.714 8.763 1.00 0.00 C ATOM 316 O TYR A 20 10.440 5.406 7.954 1.00 0.00 O ATOM 317 CB TYR A 20 9.778 2.810 9.800 1.00 0.00 C ATOM 318 CG TYR A 20 9.266 1.372 9.847 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.674 0.380 8.928 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.312 1.044 10.833 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.106 -0.910 8.969 1.00 0.00 C ATOM 322 CE2 TYR A 20 7.740 -0.240 10.875 1.00 0.00 C ATOM 323 CZ TYR A 20 8.122 -1.215 9.933 1.00 0.00 C ATOM 324 OH TYR A 20 7.528 -2.437 9.954 1.00 0.00 O ATOM 0 H TYR A 20 12.025 1.899 9.900 1.00 0.00 H new ATOM 0 HA TYR A 20 10.527 2.921 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.178 3.049 10.786 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.918 3.460 9.638 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.426 0.611 8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.018 1.785 11.562 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.424 -1.663 8.263 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.007 -0.479 11.631 1.00 0.00 H new ATOM 0 HH TYR A 20 6.876 -2.471 10.685 1.00 0.00 H new ATOM 334 N ARG A 21 11.907 5.258 9.640 1.00 0.00 N ATOM 335 CA ARG A 21 12.136 6.713 9.757 1.00 0.00 C ATOM 336 C ARG A 21 13.136 7.202 8.713 1.00 0.00 C ATOM 337 O ARG A 21 12.947 8.294 8.178 1.00 0.00 O ATOM 338 CB ARG A 21 12.576 7.124 11.176 1.00 0.00 C ATOM 339 CG ARG A 21 11.473 7.082 12.249 1.00 0.00 C ATOM 340 CD ARG A 21 11.030 5.658 12.583 1.00 0.00 C ATOM 341 NE ARG A 21 10.071 5.599 13.697 1.00 0.00 N ATOM 342 CZ ARG A 21 9.692 4.486 14.293 1.00 0.00 C ATOM 343 NH1 ARG A 21 10.222 3.333 14.012 1.00 0.00 N ATOM 344 NH2 ARG A 21 8.745 4.469 15.176 1.00 0.00 N ATOM 0 H ARG A 21 12.462 4.704 10.292 1.00 0.00 H new ATOM 0 HA ARG A 21 11.179 7.198 9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.389 6.469 11.490 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.980 8.136 11.134 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.835 7.568 13.155 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.612 7.654 11.902 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.579 5.207 11.699 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.906 5.060 12.834 1.00 0.00 H new ATOM 0 HE ARG A 21 9.673 6.477 14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.958 3.268 13.309 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.902 2.493 14.495 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.268 5.334 15.429 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.476 3.590 15.618 1.00 0.00 H new ATOM 358 N GLU A 22 14.119 6.377 8.348 1.00 0.00 N ATOM 359 CA GLU A 22 14.965 6.634 7.173 1.00 0.00 C ATOM 360 C GLU A 22 14.123 6.612 5.886 1.00 0.00 C ATOM 361 O GLU A 22 14.278 7.475 5.020 1.00 0.00 O ATOM 362 CB GLU A 22 16.089 5.589 7.074 1.00 0.00 C ATOM 363 CG GLU A 22 17.074 5.574 8.256 1.00 0.00 C ATOM 364 CD GLU A 22 17.940 6.837 8.338 1.00 0.00 C ATOM 365 OE1 GLU A 22 17.485 7.868 8.890 1.00 0.00 O ATOM 366 OE2 GLU A 22 19.095 6.828 7.845 1.00 0.00 O ATOM 0 H GLU A 22 14.352 5.520 8.850 1.00 0.00 H new ATOM 0 HA GLU A 22 15.411 7.622 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.638 4.601 6.985 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.650 5.767 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.515 5.464 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.722 4.702 8.169 1.00 0.00 H new ATOM 374 N ALA A 23 13.167 5.683 5.783 1.00 0.00 N ATOM 375 CA ALA A 23 12.255 5.627 4.646 1.00 0.00 C ATOM 376 C ALA A 23 11.307 6.840 4.582 1.00 0.00 C ATOM 377 O ALA A 23 11.175 7.458 3.525 1.00 0.00 O ATOM 378 CB ALA A 23 11.475 4.312 4.700 1.00 0.00 C ATOM 0 H ALA A 23 13.008 4.957 6.481 1.00 0.00 H new ATOM 0 HA ALA A 23 12.846 5.667 3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.790 4.260 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.171 3.474 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.908 4.263 5.629 1.00 0.00 H new ATOM 384 N VAL A 24 10.694 7.233 5.705 1.00 0.00 N ATOM 385 CA VAL A 24 9.875 8.459 5.788 1.00 0.00 C ATOM 386 C VAL A 24 10.697 9.699 5.429 1.00 0.00 C ATOM 387 O VAL A 24 10.170 10.565 4.737 1.00 0.00 O ATOM 388 CB VAL A 24 9.188 8.591 7.166 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.582 9.977 7.430 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.033 7.584 7.270 1.00 0.00 C ATOM 0 H VAL A 24 10.748 6.715 6.582 1.00 0.00 H new ATOM 0 HA VAL A 24 9.078 8.378 5.048 1.00 0.00 H new ATOM 0 HB VAL A 24 9.976 8.410 7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.119 9.990 8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.368 10.732 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.829 10.195 6.673 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.552 7.681 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.305 7.783 6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.421 6.572 7.157 1.00 0.00 H new ATOM 400 N HIS A 25 11.989 9.766 5.776 1.00 0.00 N ATOM 401 CA HIS A 25 12.862 10.855 5.325 1.00 0.00 C ATOM 402 C HIS A 25 12.987 10.902 3.791 1.00 0.00 C ATOM 403 O HIS A 25 12.830 11.975 3.206 1.00 0.00 O ATOM 404 CB HIS A 25 14.241 10.743 5.996 1.00 0.00 C ATOM 405 CG HIS A 25 15.116 11.954 5.759 1.00 0.00 C ATOM 406 ND1 HIS A 25 14.839 13.255 6.112 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.326 11.968 5.118 1.00 0.00 C ATOM 408 CE1 HIS A 25 15.847 14.031 5.689 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.792 13.294 5.077 1.00 0.00 N ATOM 0 H HIS A 25 12.452 9.077 6.369 1.00 0.00 H new ATOM 0 HA HIS A 25 12.403 11.796 5.628 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.106 10.604 7.069 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.750 9.855 5.621 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.836 11.107 4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.894 15.102 5.821 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.665 13.628 4.668 1.00 0.00 H new ATOM 418 N CYS A 26 13.183 9.756 3.124 1.00 0.00 N ATOM 419 CA CYS A 26 13.266 9.665 1.655 1.00 0.00 C ATOM 420 C CYS A 26 11.982 10.153 0.956 1.00 0.00 C ATOM 421 O CYS A 26 12.061 10.858 -0.055 1.00 0.00 O ATOM 422 CB CYS A 26 13.576 8.213 1.241 1.00 0.00 C ATOM 423 SG CYS A 26 15.152 7.603 1.915 1.00 0.00 S ATOM 0 H CYS A 26 13.290 8.856 3.592 1.00 0.00 H new ATOM 0 HA CYS A 26 14.072 10.325 1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.768 7.564 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.603 8.149 0.153 1.00 0.00 H new ATOM 0 HG CYS A 26 15.049 7.466 3.204 1.00 0.00 H new ATOM 429 N TYR A 27 10.807 9.829 1.505 1.00 0.00 N ATOM 430 CA TYR A 27 9.517 10.311 0.996 1.00 0.00 C ATOM 431 C TYR A 27 9.247 11.782 1.345 1.00 0.00 C ATOM 432 O TYR A 27 8.764 12.522 0.492 1.00 0.00 O ATOM 433 CB TYR A 27 8.388 9.399 1.500 1.00 0.00 C ATOM 434 CG TYR A 27 8.421 7.971 0.971 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.219 7.729 -0.400 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.599 6.884 1.847 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.156 6.408 -0.892 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.544 5.563 1.361 1.00 0.00 C ATOM 439 CZ TYR A 27 8.312 5.322 -0.009 1.00 0.00 C ATOM 440 OH TYR A 27 8.268 4.047 -0.474 1.00 0.00 O ATOM 0 H TYR A 27 10.723 9.221 2.320 1.00 0.00 H new ATOM 0 HA TYR A 27 9.556 10.268 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.428 9.367 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.432 9.848 1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.111 8.560 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.779 7.063 2.897 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.988 6.230 -1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.680 4.733 2.039 1.00 0.00 H new ATOM 0 HH TYR A 27 8.868 3.959 -1.244 1.00 0.00 H new ATOM 450 N ASP A 28 9.620 12.248 2.537 1.00 0.00 N ATOM 451 CA ASP A 28 9.549 13.665 2.913 1.00 0.00 C ATOM 452 C ASP A 28 10.457 14.529 2.023 1.00 0.00 C ATOM 453 O ASP A 28 10.075 15.647 1.684 1.00 0.00 O ATOM 454 CB ASP A 28 9.891 13.802 4.405 1.00 0.00 C ATOM 455 CG ASP A 28 9.819 15.234 4.949 1.00 0.00 C ATOM 456 OD1 ASP A 28 10.710 15.598 5.756 1.00 0.00 O ATOM 457 OD2 ASP A 28 8.863 15.987 4.646 1.00 0.00 O ATOM 0 H ASP A 28 9.984 11.649 3.278 1.00 0.00 H new ATOM 0 HA ASP A 28 8.536 14.034 2.753 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.209 13.175 4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.896 13.415 4.571 1.00 0.00 H new ATOM 463 N GLN A 29 11.597 14.011 1.544 1.00 0.00 N ATOM 464 CA GLN A 29 12.440 14.745 0.591 1.00 0.00 C ATOM 465 C GLN A 29 11.812 14.898 -0.806 1.00 0.00 C ATOM 466 O GLN A 29 12.051 15.924 -1.444 1.00 0.00 O ATOM 467 CB GLN A 29 13.880 14.201 0.526 1.00 0.00 C ATOM 468 CG GLN A 29 14.722 14.313 1.811 1.00 0.00 C ATOM 469 CD GLN A 29 14.383 15.542 2.650 1.00 0.00 C ATOM 470 OE1 GLN A 29 14.659 16.678 2.284 1.00 0.00 O ATOM 471 NE2 GLN A 29 13.702 15.370 3.758 1.00 0.00 N ATOM 0 H GLN A 29 11.955 13.091 1.800 1.00 0.00 H new ATOM 0 HA GLN A 29 12.503 15.756 0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.834 13.150 0.240 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.406 14.725 -0.272 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.573 13.417 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.778 14.344 1.543 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.467 14.428 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.407 16.178 4.306 1.00 0.00 H new ATOM 480 N LEU A 30 10.920 13.992 -1.245 1.00 0.00 N ATOM 481 CA LEU A 30 10.086 14.251 -2.441 1.00 0.00 C ATOM 482 C LEU A 30 9.284 15.548 -2.268 1.00 0.00 C ATOM 483 O LEU A 30 9.206 16.342 -3.202 1.00 0.00 O ATOM 484 CB LEU A 30 9.078 13.119 -2.727 1.00 0.00 C ATOM 485 CG LEU A 30 9.671 11.734 -3.001 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.566 10.682 -2.959 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.305 11.675 -4.392 1.00 0.00 C ATOM 0 H LEU A 30 10.757 13.088 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 30 10.783 14.323 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.403 13.039 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.474 13.408 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 30 10.426 11.543 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.993 9.698 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.098 10.685 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.817 10.910 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.719 10.681 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.547 11.886 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.102 12.416 -4.461 1.00 0.00 H new ATOM 499 N ILE A 31 8.716 15.759 -1.074 1.00 0.00 N ATOM 500 CA ILE A 31 7.902 16.940 -0.719 1.00 0.00 C ATOM 501 C ILE A 31 8.786 18.152 -0.354 1.00 0.00 C ATOM 502 O ILE A 31 8.352 19.294 -0.470 1.00 0.00 O ATOM 503 CB ILE A 31 6.863 16.609 0.391 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.215 15.219 0.177 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.750 17.677 0.417 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.159 14.789 1.203 1.00 0.00 C ATOM 0 H ILE A 31 8.810 15.097 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 31 7.333 17.223 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 31 7.400 16.601 1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.755 15.206 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.008 14.471 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.030 17.433 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.188 18.654 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.244 17.699 -0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.782 13.800 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.608 14.757 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.336 15.504 1.199 1.00 0.00 H new ATOM 518 N THR A 32 10.050 17.948 0.029 1.00 0.00 N ATOM 519 CA THR A 32 11.051 19.028 0.153 1.00 0.00 C ATOM 520 C THR A 32 11.373 19.628 -1.217 1.00 0.00 C ATOM 521 O THR A 32 11.412 20.853 -1.357 1.00 0.00 O ATOM 522 CB THR A 32 12.347 18.518 0.806 1.00 0.00 C ATOM 523 OG1 THR A 32 12.070 18.002 2.085 1.00 0.00 O ATOM 524 CG2 THR A 32 13.404 19.599 1.007 1.00 0.00 C ATOM 0 H THR A 32 10.416 17.026 0.265 1.00 0.00 H new ATOM 0 HA THR A 32 10.619 19.799 0.791 1.00 0.00 H new ATOM 0 HB THR A 32 12.734 17.766 0.118 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.886 17.616 2.466 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.288 19.162 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.676 20.026 0.042 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.005 20.383 1.651 1.00 0.00 H new ATOM 532 N ALA A 33 11.566 18.777 -2.232 1.00 0.00 N ATOM 533 CA ALA A 33 11.912 19.170 -3.600 1.00 0.00 C ATOM 534 C ALA A 33 10.700 19.540 -4.482 1.00 0.00 C ATOM 535 O ALA A 33 10.875 20.192 -5.514 1.00 0.00 O ATOM 536 CB ALA A 33 12.717 18.019 -4.219 1.00 0.00 C ATOM 0 H ALA A 33 11.483 17.767 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 33 12.498 20.088 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.993 18.277 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.619 17.849 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.111 17.113 -4.224 1.00 0.00 H new ATOM 542 N GLN A 34 9.486 19.104 -4.114 1.00 0.00 N ATOM 543 CA GLN A 34 8.241 19.296 -4.877 1.00 0.00 C ATOM 544 C GLN A 34 7.042 19.589 -3.930 1.00 0.00 C ATOM 545 O GLN A 34 6.157 18.742 -3.787 1.00 0.00 O ATOM 546 CB GLN A 34 7.980 18.049 -5.752 1.00 0.00 C ATOM 547 CG GLN A 34 9.114 17.584 -6.685 1.00 0.00 C ATOM 548 CD GLN A 34 8.949 16.121 -7.065 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.617 15.764 -8.189 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.182 15.223 -6.127 1.00 0.00 N ATOM 0 H GLN A 34 9.338 18.589 -3.246 1.00 0.00 H new ATOM 0 HA GLN A 34 8.350 20.164 -5.527 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.728 17.220 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.100 18.246 -6.365 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.122 18.198 -7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.076 17.728 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.458 15.522 -5.192 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.086 14.229 -6.337 1.00 0.00 H new ATOM 559 N PRO A 35 6.982 20.755 -3.246 1.00 0.00 N ATOM 560 CA PRO A 35 6.031 20.988 -2.144 1.00 0.00 C ATOM 561 C PRO A 35 4.541 21.048 -2.509 1.00 0.00 C ATOM 562 O PRO A 35 3.691 20.883 -1.627 1.00 0.00 O ATOM 563 CB PRO A 35 6.436 22.340 -1.544 1.00 0.00 C ATOM 564 CG PRO A 35 7.914 22.474 -1.898 1.00 0.00 C ATOM 565 CD PRO A 35 7.952 21.843 -3.287 1.00 0.00 C ATOM 0 HA PRO A 35 6.100 20.130 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.849 23.156 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.281 22.360 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.240 23.514 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.555 21.948 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.693 22.571 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.949 21.471 -3.522 1.00 0.00 H new ATOM 573 N GLN A 36 4.213 21.336 -3.770 1.00 0.00 N ATOM 574 CA GLN A 36 2.839 21.500 -4.257 1.00 0.00 C ATOM 575 C GLN A 36 2.333 20.236 -4.978 1.00 0.00 C ATOM 576 O GLN A 36 1.130 19.990 -5.033 1.00 0.00 O ATOM 577 CB GLN A 36 2.820 22.735 -5.182 1.00 0.00 C ATOM 578 CG GLN A 36 1.483 23.025 -5.886 1.00 0.00 C ATOM 579 CD GLN A 36 0.375 23.503 -4.960 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.481 24.528 -4.294 1.00 0.00 O ATOM 581 NE2 GLN A 36 -0.741 22.818 -4.926 1.00 0.00 N ATOM 0 H GLN A 36 4.913 21.465 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 36 2.159 21.650 -3.418 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.096 23.610 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.589 22.607 -5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.648 23.780 -6.655 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.150 22.120 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.833 21.965 -5.478 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -1.518 23.137 -4.347 1.00 0.00 H new ATOM 590 N ASN A 37 3.240 19.445 -5.557 1.00 0.00 N ATOM 591 CA ASN A 37 2.903 18.320 -6.425 1.00 0.00 C ATOM 592 C ASN A 37 2.250 17.145 -5.660 1.00 0.00 C ATOM 593 O ASN A 37 2.758 16.731 -4.613 1.00 0.00 O ATOM 594 CB ASN A 37 4.180 17.856 -7.142 1.00 0.00 C ATOM 595 CG ASN A 37 4.415 18.545 -8.470 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.990 19.629 -8.568 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.977 17.913 -9.532 1.00 0.00 N ATOM 0 H ASN A 37 4.244 19.572 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 37 2.160 18.658 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.037 18.036 -6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.124 16.780 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.111 18.319 -10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.503 17.016 -9.432 1.00 0.00 H new ATOM 604 N PRO A 38 1.199 16.504 -6.212 1.00 0.00 N ATOM 605 CA PRO A 38 0.545 15.355 -5.579 1.00 0.00 C ATOM 606 C PRO A 38 1.443 14.110 -5.465 1.00 0.00 C ATOM 607 O PRO A 38 1.173 13.257 -4.617 1.00 0.00 O ATOM 608 CB PRO A 38 -0.678 15.069 -6.453 1.00 0.00 C ATOM 609 CG PRO A 38 -0.275 15.580 -7.834 1.00 0.00 C ATOM 610 CD PRO A 38 0.541 16.819 -7.475 1.00 0.00 C ATOM 0 HA PRO A 38 0.289 15.591 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.913 14.005 -6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.564 15.583 -6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.313 14.848 -8.387 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.141 15.823 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.272 17.046 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.100 17.695 -7.375 1.00 0.00 H new ATOM 618 N VAL A 39 2.509 14.007 -6.277 1.00 0.00 N ATOM 619 CA VAL A 39 3.467 12.882 -6.288 1.00 0.00 C ATOM 620 C VAL A 39 3.916 12.488 -4.874 1.00 0.00 C ATOM 621 O VAL A 39 3.602 11.388 -4.419 1.00 0.00 O ATOM 622 CB VAL A 39 4.645 13.179 -7.248 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.649 14.238 -6.769 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.426 11.899 -7.559 1.00 0.00 C ATOM 0 H VAL A 39 2.737 14.724 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 39 2.955 12.002 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 39 4.156 13.589 -8.132 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.430 14.364 -7.519 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.133 15.186 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.097 13.916 -5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.249 12.130 -8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.823 11.481 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.763 11.173 -8.030 1.00 0.00 H new ATOM 634 N GLY A 40 4.531 13.404 -4.118 1.00 0.00 N ATOM 635 CA GLY A 40 5.132 13.088 -2.823 1.00 0.00 C ATOM 636 C GLY A 40 4.106 12.714 -1.751 1.00 0.00 C ATOM 637 O GLY A 40 4.358 11.788 -0.984 1.00 0.00 O ATOM 0 H GLY A 40 4.625 14.383 -4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.833 12.263 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.709 13.947 -2.479 1.00 0.00 H new ATOM 641 N TYR A 41 2.915 13.324 -1.755 1.00 0.00 N ATOM 642 CA TYR A 41 1.794 12.893 -0.905 1.00 0.00 C ATOM 643 C TYR A 41 1.344 11.462 -1.256 1.00 0.00 C ATOM 644 O TYR A 41 1.141 10.638 -0.364 1.00 0.00 O ATOM 645 CB TYR A 41 0.616 13.874 -1.035 1.00 0.00 C ATOM 646 CG TYR A 41 0.837 15.254 -0.436 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.539 15.490 0.923 1.00 0.00 C ATOM 648 CD2 TYR A 41 1.291 16.318 -1.241 1.00 0.00 C ATOM 649 CE1 TYR A 41 0.683 16.781 1.471 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.445 17.608 -0.693 1.00 0.00 C ATOM 651 CZ TYR A 41 1.134 17.847 0.664 1.00 0.00 C ATOM 652 OH TYR A 41 1.259 19.106 1.174 1.00 0.00 O ATOM 0 H TYR A 41 2.699 14.128 -2.345 1.00 0.00 H new ATOM 0 HA TYR A 41 2.138 12.891 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.380 13.991 -2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.258 13.428 -0.561 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.199 14.677 1.547 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.522 16.145 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.448 16.954 2.511 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.802 18.417 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 41 1.583 19.711 0.475 1.00 0.00 H new ATOM 662 N SER A 42 1.256 11.121 -2.550 1.00 0.00 N ATOM 663 CA SER A 42 0.889 9.767 -2.998 1.00 0.00 C ATOM 664 C SER A 42 1.940 8.701 -2.658 1.00 0.00 C ATOM 665 O SER A 42 1.587 7.532 -2.492 1.00 0.00 O ATOM 666 CB SER A 42 0.550 9.762 -4.495 1.00 0.00 C ATOM 667 OG SER A 42 1.706 9.734 -5.311 1.00 0.00 O ATOM 0 H SER A 42 1.436 11.772 -3.314 1.00 0.00 H new ATOM 0 HA SER A 42 -0.003 9.490 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.072 8.896 -4.721 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.039 10.648 -4.734 1.00 0.00 H new ATOM 0 HG SER A 42 2.464 10.113 -4.818 1.00 0.00 H new ATOM 673 N ASN A 43 3.213 9.081 -2.503 1.00 0.00 N ATOM 674 CA ASN A 43 4.280 8.194 -2.029 1.00 0.00 C ATOM 675 C ASN A 43 4.345 8.137 -0.481 1.00 0.00 C ATOM 676 O ASN A 43 4.468 7.050 0.081 1.00 0.00 O ATOM 677 CB ASN A 43 5.610 8.598 -2.693 1.00 0.00 C ATOM 678 CG ASN A 43 5.602 8.568 -4.218 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.805 9.571 -4.876 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.420 7.426 -4.840 1.00 0.00 N ATOM 0 H ASN A 43 3.535 10.027 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 43 4.061 7.170 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.872 9.604 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.395 7.932 -2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.450 7.390 -5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.249 6.575 -4.304 1.00 0.00 H new ATOM 687 N LYS A 44 4.143 9.251 0.243 1.00 0.00 N ATOM 688 CA LYS A 44 4.043 9.259 1.722 1.00 0.00 C ATOM 689 C LYS A 44 2.831 8.454 2.227 1.00 0.00 C ATOM 690 O LYS A 44 2.930 7.781 3.250 1.00 0.00 O ATOM 691 CB LYS A 44 4.077 10.713 2.245 1.00 0.00 C ATOM 692 CG LYS A 44 4.129 10.805 3.785 1.00 0.00 C ATOM 693 CD LYS A 44 4.321 12.249 4.291 1.00 0.00 C ATOM 694 CE LYS A 44 4.155 12.324 5.820 1.00 0.00 C ATOM 695 NZ LYS A 44 4.327 13.704 6.338 1.00 0.00 N ATOM 0 H LYS A 44 4.044 10.175 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 44 4.911 8.745 2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.946 11.222 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.194 11.242 1.886 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.206 10.399 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.945 10.184 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.311 12.608 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.596 12.906 3.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.166 11.956 6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.883 11.667 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.206 13.705 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.279 14.048 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.616 14.328 5.906 1.00 0.00 H new ATOM 709 N ALA A 45 1.733 8.398 1.471 1.00 0.00 N ATOM 710 CA ALA A 45 0.615 7.490 1.753 1.00 0.00 C ATOM 711 C ALA A 45 1.018 5.995 1.733 1.00 0.00 C ATOM 712 O ALA A 45 0.576 5.223 2.588 1.00 0.00 O ATOM 713 CB ALA A 45 -0.498 7.782 0.744 1.00 0.00 C ATOM 0 H ALA A 45 1.592 8.980 0.645 1.00 0.00 H new ATOM 0 HA ALA A 45 0.268 7.673 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.343 7.119 0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.820 8.818 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.125 7.617 -0.267 1.00 0.00 H new ATOM 719 N MET A 46 1.898 5.591 0.805 1.00 0.00 N ATOM 720 CA MET A 46 2.470 4.236 0.756 1.00 0.00 C ATOM 721 C MET A 46 3.324 3.951 1.995 1.00 0.00 C ATOM 722 O MET A 46 3.177 2.898 2.613 1.00 0.00 O ATOM 723 CB MET A 46 3.292 4.067 -0.532 1.00 0.00 C ATOM 724 CG MET A 46 3.808 2.648 -0.785 1.00 0.00 C ATOM 725 SD MET A 46 2.538 1.365 -0.925 1.00 0.00 S ATOM 726 CE MET A 46 3.486 0.128 -1.851 1.00 0.00 C ATOM 0 H MET A 46 2.236 6.201 0.060 1.00 0.00 H new ATOM 0 HA MET A 46 1.655 3.512 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.679 4.372 -1.380 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.144 4.746 -0.494 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.396 2.653 -1.703 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.484 2.377 0.026 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.011 -0.847 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.516 0.406 -2.904 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.502 0.080 -1.459 1.00 0.00 H new ATOM 736 N ALA A 47 4.153 4.918 2.408 1.00 0.00 N ATOM 737 CA ALA A 47 4.942 4.830 3.637 1.00 0.00 C ATOM 738 C ALA A 47 4.058 4.577 4.868 1.00 0.00 C ATOM 739 O ALA A 47 4.353 3.688 5.663 1.00 0.00 O ATOM 740 CB ALA A 47 5.755 6.120 3.796 1.00 0.00 C ATOM 0 H ALA A 47 4.294 5.787 1.894 1.00 0.00 H new ATOM 0 HA ALA A 47 5.618 3.978 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.348 6.066 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.418 6.240 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.078 6.972 3.853 1.00 0.00 H new ATOM 746 N LEU A 48 2.935 5.291 5.003 1.00 0.00 N ATOM 747 CA LEU A 48 2.030 5.145 6.147 1.00 0.00 C ATOM 748 C LEU A 48 1.410 3.736 6.241 1.00 0.00 C ATOM 749 O LEU A 48 1.357 3.183 7.341 1.00 0.00 O ATOM 750 CB LEU A 48 0.973 6.266 6.112 1.00 0.00 C ATOM 751 CG LEU A 48 1.550 7.670 6.398 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.532 8.751 6.033 1.00 0.00 C ATOM 753 CD2 LEU A 48 1.931 7.850 7.869 1.00 0.00 C ATOM 0 H LEU A 48 2.629 5.986 4.322 1.00 0.00 H new ATOM 0 HA LEU A 48 2.611 5.252 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.494 6.272 5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.197 6.045 6.845 1.00 0.00 H new ATOM 0 HG LEU A 48 2.448 7.766 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.955 9.734 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.288 8.678 4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.373 8.613 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.332 8.852 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.048 7.714 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.685 7.112 8.142 1.00 0.00 H new ATOM 765 N ILE A 49 1.032 3.090 5.125 1.00 0.00 N ATOM 766 CA ILE A 49 0.550 1.688 5.169 1.00 0.00 C ATOM 767 C ILE A 49 1.673 0.649 5.355 1.00 0.00 C ATOM 768 O ILE A 49 1.423 -0.430 5.903 1.00 0.00 O ATOM 769 CB ILE A 49 -0.370 1.322 3.980 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.337 1.349 2.608 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.601 2.241 3.972 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.491 0.703 1.488 1.00 0.00 C ATOM 0 H ILE A 49 1.048 3.503 4.193 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.061 1.642 6.071 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.675 0.287 4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.556 2.383 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.293 0.832 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.245 1.979 3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.152 2.119 4.904 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.280 3.278 3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.062 0.755 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.688 -0.340 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.436 1.235 1.381 1.00 0.00 H new ATOM 784 N LYS A 50 2.911 0.961 4.945 1.00 0.00 N ATOM 785 CA LYS A 50 4.107 0.113 5.142 1.00 0.00 C ATOM 786 C LYS A 50 4.734 0.266 6.541 1.00 0.00 C ATOM 787 O LYS A 50 5.387 -0.664 7.008 1.00 0.00 O ATOM 788 CB LYS A 50 5.096 0.355 3.981 1.00 0.00 C ATOM 789 CG LYS A 50 5.515 -0.920 3.232 1.00 0.00 C ATOM 790 CD LYS A 50 4.392 -1.758 2.603 1.00 0.00 C ATOM 791 CE LYS A 50 3.526 -1.039 1.558 1.00 0.00 C ATOM 792 NZ LYS A 50 2.382 -1.901 1.152 1.00 0.00 N ATOM 0 H LYS A 50 3.119 1.831 4.454 1.00 0.00 H new ATOM 0 HA LYS A 50 3.805 -0.934 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.643 1.047 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.989 0.841 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.210 -0.636 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.065 -1.556 3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.838 -2.636 2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.742 -2.117 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.155 -0.100 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.130 -0.789 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.805 -1.402 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.743 -2.786 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.798 -2.118 1.985 1.00 0.00 H new ATOM 806 N LEU A 51 4.445 1.362 7.248 1.00 0.00 N ATOM 807 CA LEU A 51 4.692 1.545 8.684 1.00 0.00 C ATOM 808 C LEU A 51 3.581 0.861 9.496 1.00 0.00 C ATOM 809 O LEU A 51 3.858 0.161 10.464 1.00 0.00 O ATOM 810 CB LEU A 51 4.772 3.063 8.983 1.00 0.00 C ATOM 811 CG LEU A 51 5.623 3.471 10.202 1.00 0.00 C ATOM 812 CD1 LEU A 51 5.671 4.996 10.303 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.133 2.923 11.542 1.00 0.00 C ATOM 0 H LEU A 51 4.015 2.181 6.819 1.00 0.00 H new ATOM 0 HA LEU A 51 5.636 1.084 8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.172 3.565 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.759 3.437 9.131 1.00 0.00 H new ATOM 0 HG LEU A 51 6.606 3.034 10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.273 5.285 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.115 5.407 9.396 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.659 5.385 10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.795 3.264 12.338 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.121 3.281 11.733 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.133 1.833 11.511 1.00 0.00 H new ATOM 825 N GLY A 52 2.324 1.031 9.071 1.00 0.00 N ATOM 826 CA GLY A 52 1.141 0.532 9.776 1.00 0.00 C ATOM 827 C GLY A 52 0.367 1.619 10.533 1.00 0.00 C ATOM 828 O GLY A 52 -0.206 1.361 11.589 1.00 0.00 O ATOM 0 H GLY A 52 2.098 1.529 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.473 0.058 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.449 -0.240 10.481 1.00 0.00 H new ATOM 832 N GLU A 53 0.360 2.849 10.019 1.00 0.00 N ATOM 833 CA GLU A 53 -0.466 3.973 10.489 1.00 0.00 C ATOM 834 C GLU A 53 -1.666 4.151 9.542 1.00 0.00 C ATOM 835 O GLU A 53 -1.848 5.192 8.904 1.00 0.00 O ATOM 836 CB GLU A 53 0.378 5.255 10.629 1.00 0.00 C ATOM 837 CG GLU A 53 1.562 5.170 11.609 1.00 0.00 C ATOM 838 CD GLU A 53 1.189 5.302 13.095 1.00 0.00 C ATOM 839 OE1 GLU A 53 -0.008 5.226 13.469 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.118 5.467 13.922 1.00 0.00 O ATOM 0 H GLU A 53 0.953 3.105 9.230 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.854 3.756 11.484 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.763 5.524 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.277 6.066 10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.069 4.216 11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.278 5.953 11.359 1.00 0.00 H new ATOM 848 N TYR A 54 -2.464 3.087 9.387 1.00 0.00 N ATOM 849 CA TYR A 54 -3.530 3.018 8.377 1.00 0.00 C ATOM 850 C TYR A 54 -4.568 4.139 8.560 1.00 0.00 C ATOM 851 O TYR A 54 -5.027 4.711 7.572 1.00 0.00 O ATOM 852 CB TYR A 54 -4.200 1.630 8.378 1.00 0.00 C ATOM 853 CG TYR A 54 -3.278 0.450 8.640 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.503 -0.114 7.606 1.00 0.00 C ATOM 855 CD2 TYR A 54 -3.218 -0.095 9.936 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.675 -1.224 7.874 1.00 0.00 C ATOM 857 CE2 TYR A 54 -2.384 -1.194 10.209 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.618 -1.769 9.177 1.00 0.00 C ATOM 859 OH TYR A 54 -0.829 -2.841 9.456 1.00 0.00 O ATOM 0 H TYR A 54 -2.389 2.247 9.960 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.066 3.169 7.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.986 1.627 9.133 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.685 1.481 7.413 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.543 0.303 6.611 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.816 0.334 10.726 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.083 -1.658 7.082 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.331 -1.597 11.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.918 -3.075 10.404 1.00 0.00 H new ATOM 869 N THR A 55 -4.862 4.529 9.807 1.00 0.00 N ATOM 870 CA THR A 55 -5.745 5.665 10.132 1.00 0.00 C ATOM 871 C THR A 55 -5.207 7.006 9.608 1.00 0.00 C ATOM 872 O THR A 55 -6.012 7.860 9.230 1.00 0.00 O ATOM 873 CB THR A 55 -6.019 5.733 11.646 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.694 4.564 12.078 1.00 0.00 O ATOM 875 CG2 THR A 55 -6.910 6.900 12.051 1.00 0.00 C ATOM 0 H THR A 55 -4.490 4.060 10.633 1.00 0.00 H new ATOM 0 HA THR A 55 -6.688 5.486 9.616 1.00 0.00 H new ATOM 0 HB THR A 55 -5.037 5.847 12.105 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.860 4.620 13.042 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.060 6.885 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.434 7.838 11.764 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.874 6.813 11.549 1.00 0.00 H new ATOM 883 N GLN A 56 -3.887 7.202 9.491 1.00 0.00 N ATOM 884 CA GLN A 56 -3.354 8.405 8.825 1.00 0.00 C ATOM 885 C GLN A 56 -3.355 8.248 7.295 1.00 0.00 C ATOM 886 O GLN A 56 -3.618 9.206 6.571 1.00 0.00 O ATOM 887 CB GLN A 56 -1.946 8.781 9.314 1.00 0.00 C ATOM 888 CG GLN A 56 -1.687 8.730 10.828 1.00 0.00 C ATOM 889 CD GLN A 56 -2.836 9.148 11.730 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.283 10.287 11.780 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.370 8.216 12.481 1.00 0.00 N ATOM 0 H GLN A 56 -3.177 6.558 9.841 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.025 9.220 9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.232 8.117 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.728 9.792 8.969 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.401 7.711 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.831 9.368 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.006 7.264 12.448 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.149 8.443 13.099 1.00 0.00 H new ATOM 900 N ALA A 57 -3.117 7.035 6.782 1.00 0.00 N ATOM 901 CA ALA A 57 -3.097 6.770 5.342 1.00 0.00 C ATOM 902 C ALA A 57 -4.454 7.041 4.664 1.00 0.00 C ATOM 903 O ALA A 57 -4.490 7.648 3.593 1.00 0.00 O ATOM 904 CB ALA A 57 -2.640 5.330 5.104 1.00 0.00 C ATOM 0 H ALA A 57 -2.933 6.211 7.355 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.392 7.463 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.623 5.126 4.033 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.640 5.193 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.331 4.643 5.593 1.00 0.00 H new ATOM 910 N ILE A 58 -5.570 6.655 5.297 1.00 0.00 N ATOM 911 CA ILE A 58 -6.928 6.931 4.787 1.00 0.00 C ATOM 912 C ILE A 58 -7.249 8.433 4.739 1.00 0.00 C ATOM 913 O ILE A 58 -7.966 8.870 3.838 1.00 0.00 O ATOM 914 CB ILE A 58 -8.004 6.150 5.579 1.00 0.00 C ATOM 915 CG1 ILE A 58 -8.039 6.543 7.072 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.785 4.638 5.396 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.142 5.867 7.891 1.00 0.00 C ATOM 0 H ILE A 58 -5.561 6.142 6.178 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.947 6.575 3.757 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.981 6.418 5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.075 6.301 7.519 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.162 7.623 7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.544 4.090 5.955 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.860 4.385 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.796 4.366 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.086 6.205 8.926 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.115 6.128 7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.011 4.786 7.855 1.00 0.00 H new ATOM 929 N GLN A 59 -6.673 9.236 5.642 1.00 0.00 N ATOM 930 CA GLN A 59 -6.735 10.699 5.579 1.00 0.00 C ATOM 931 C GLN A 59 -5.875 11.230 4.428 1.00 0.00 C ATOM 932 O GLN A 59 -6.377 11.971 3.583 1.00 0.00 O ATOM 933 CB GLN A 59 -6.359 11.310 6.936 1.00 0.00 C ATOM 934 CG GLN A 59 -6.326 12.853 6.934 1.00 0.00 C ATOM 935 CD GLN A 59 -4.971 13.482 6.598 1.00 0.00 C ATOM 936 OE1 GLN A 59 -3.901 12.926 6.816 1.00 0.00 O ATOM 937 NE2 GLN A 59 -4.965 14.697 6.098 1.00 0.00 N ATOM 0 H GLN A 59 -6.147 8.885 6.442 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.759 11.005 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.073 10.972 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.380 10.935 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.063 13.214 6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.638 13.207 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.846 15.175 5.910 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.079 15.162 5.898 1.00 0.00 H new ATOM 946 N MET A 60 -4.608 10.815 4.339 1.00 0.00 N ATOM 947 CA MET A 60 -3.676 11.328 3.329 1.00 0.00 C ATOM 948 C MET A 60 -4.110 10.991 1.893 1.00 0.00 C ATOM 949 O MET A 60 -3.939 11.819 0.998 1.00 0.00 O ATOM 950 CB MET A 60 -2.255 10.836 3.635 1.00 0.00 C ATOM 951 CG MET A 60 -1.233 11.509 2.707 1.00 0.00 C ATOM 952 SD MET A 60 0.495 11.366 3.230 1.00 0.00 S ATOM 953 CE MET A 60 0.476 12.530 4.622 1.00 0.00 C ATOM 0 H MET A 60 -4.200 10.117 4.962 1.00 0.00 H new ATOM 0 HA MET A 60 -3.686 12.416 3.385 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.007 11.052 4.674 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.206 9.754 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.331 11.077 1.711 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.484 12.566 2.622 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.328 13.205 4.543 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.448 13.108 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.536 11.977 5.559 1.00 0.00 H new ATOM 963 N CYS A 61 -4.737 9.834 1.655 1.00 0.00 N ATOM 964 CA CYS A 61 -5.262 9.509 0.326 1.00 0.00 C ATOM 965 C CYS A 61 -6.473 10.380 -0.045 1.00 0.00 C ATOM 966 O CYS A 61 -6.522 10.899 -1.157 1.00 0.00 O ATOM 967 CB CYS A 61 -5.575 8.011 0.198 1.00 0.00 C ATOM 968 SG CYS A 61 -4.105 7.008 0.524 1.00 0.00 S ATOM 0 H CYS A 61 -4.892 9.113 2.359 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.478 9.741 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.366 7.741 0.898 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.949 7.799 -0.804 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.852 7.010 1.799 1.00 0.00 H new ATOM 974 N GLN A 62 -7.411 10.614 0.879 1.00 0.00 N ATOM 975 CA GLN A 62 -8.572 11.484 0.633 1.00 0.00 C ATOM 976 C GLN A 62 -8.166 12.961 0.479 1.00 0.00 C ATOM 977 O GLN A 62 -8.653 13.650 -0.422 1.00 0.00 O ATOM 978 CB GLN A 62 -9.618 11.261 1.735 1.00 0.00 C ATOM 979 CG GLN A 62 -10.269 9.876 1.579 1.00 0.00 C ATOM 980 CD GLN A 62 -11.307 9.584 2.653 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.491 9.860 2.491 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.898 9.030 3.768 1.00 0.00 N ATOM 0 H GLN A 62 -7.390 10.209 1.815 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.024 11.213 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.147 11.341 2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.381 12.037 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.740 9.810 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.494 9.110 1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.911 8.804 3.893 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.566 8.825 4.511 1.00 0.00 H new ATOM 991 N GLN A 63 -7.177 13.413 1.254 1.00 0.00 N ATOM 992 CA GLN A 63 -6.503 14.697 1.066 1.00 0.00 C ATOM 993 C GLN A 63 -5.796 14.779 -0.299 1.00 0.00 C ATOM 994 O GLN A 63 -5.864 15.814 -0.954 1.00 0.00 O ATOM 995 CB GLN A 63 -5.556 14.920 2.260 1.00 0.00 C ATOM 996 CG GLN A 63 -4.625 16.139 2.149 1.00 0.00 C ATOM 997 CD GLN A 63 -3.207 15.738 1.744 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.887 15.682 0.469 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.370 15.437 2.580 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.816 12.883 2.047 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.233 15.506 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.157 15.025 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.943 14.027 2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.028 16.838 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.595 16.662 3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.603 15.476 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.437 15.147 2.286 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.148 13.717 -0.785 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.542 13.694 -2.124 1.00 0.00 C ATOM 1010 C GLY A 64 -5.557 13.641 -3.274 1.00 0.00 C ATOM 1011 O GLY A 64 -5.272 14.141 -4.365 1.00 0.00 O ATOM 0 H GLY A 64 -5.027 12.848 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.920 14.581 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.882 12.830 -2.197 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.775 13.147 -3.039 1.00 0.00 N ATOM 1016 CA LEU A 65 -7.882 13.255 -4.000 1.00 0.00 C ATOM 1017 C LEU A 65 -8.347 14.711 -4.197 1.00 0.00 C ATOM 1018 O LEU A 65 -8.765 15.055 -5.305 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.014 12.286 -3.621 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.621 10.808 -3.825 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -9.649 9.896 -3.162 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.520 10.419 -5.303 1.00 0.00 C ATOM 0 H LEU A 65 -7.024 12.660 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.520 12.949 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.289 12.445 -2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.896 12.510 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.638 10.687 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.362 8.855 -3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.691 10.111 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.629 10.070 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.241 9.369 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.484 10.577 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.764 11.034 -5.790 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.150 15.601 -3.208 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.360 17.057 -3.372 1.00 0.00 C ATOM 1036 C ARG A 66 -7.456 17.628 -4.469 1.00 0.00 C ATOM 1037 O ARG A 66 -7.934 18.292 -5.383 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.109 17.831 -2.064 1.00 0.00 C ATOM 1039 CG ARG A 66 -8.908 17.365 -0.835 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.394 18.134 0.387 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.069 17.758 1.643 1.00 0.00 N ATOM 1042 CZ ARG A 66 -8.769 18.250 2.835 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -7.753 19.045 3.021 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -9.482 17.941 3.875 1.00 0.00 N ATOM 0 H ARG A 66 -7.841 15.335 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.405 17.184 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.047 17.767 -1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.334 18.883 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.972 17.550 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.788 16.292 -0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.323 17.960 0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.528 19.202 0.217 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.820 17.070 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.159 19.307 2.234 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.551 19.405 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.281 17.314 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.243 18.325 4.789 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.163 17.295 -4.428 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.163 17.738 -5.410 1.00 0.00 C ATOM 1060 C TYR A 67 -5.425 17.205 -6.831 1.00 0.00 C ATOM 1061 O TYR A 67 -5.004 17.841 -7.800 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.758 17.280 -4.968 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.139 18.048 -3.816 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.498 17.738 -2.491 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.171 19.042 -4.069 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -2.943 18.473 -1.425 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -1.577 19.746 -3.004 1.00 0.00 C ATOM 1068 CZ TYR A 67 -1.978 19.472 -1.676 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.435 20.140 -0.623 1.00 0.00 O ATOM 0 H TYR A 67 -5.772 16.699 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.233 18.825 -5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.812 16.228 -4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.089 17.349 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.197 16.939 -2.292 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.884 19.265 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.257 18.271 -0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.820 20.491 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.732 19.592 -0.215 1.00 0.00 H new ATOM 1079 N THR A 68 -6.072 16.040 -6.962 1.00 0.00 N ATOM 1080 CA THR A 68 -5.997 15.198 -8.174 1.00 0.00 C ATOM 1081 C THR A 68 -7.322 14.958 -8.906 1.00 0.00 C ATOM 1082 O THR A 68 -7.322 14.344 -9.971 1.00 0.00 O ATOM 1083 CB THR A 68 -5.313 13.855 -7.869 1.00 0.00 C ATOM 1084 OG1 THR A 68 -5.988 13.171 -6.845 1.00 0.00 O ATOM 1085 CG2 THR A 68 -3.876 14.026 -7.382 1.00 0.00 C ATOM 0 H THR A 68 -6.666 15.649 -6.231 1.00 0.00 H new ATOM 0 HA THR A 68 -5.395 15.787 -8.866 1.00 0.00 H new ATOM 0 HB THR A 68 -5.330 13.304 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.803 13.604 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.441 13.047 -7.182 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.290 14.534 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.870 14.620 -6.468 1.00 0.00 H new ATOM 1093 N SER A 69 -8.446 15.482 -8.410 1.00 0.00 N ATOM 1094 CA SER A 69 -9.775 15.375 -9.049 1.00 0.00 C ATOM 1095 C SER A 69 -9.959 16.366 -10.217 1.00 0.00 C ATOM 1096 O SER A 69 -10.928 17.136 -10.272 1.00 0.00 O ATOM 1097 CB SER A 69 -10.887 15.479 -7.994 1.00 0.00 C ATOM 1098 OG SER A 69 -10.726 14.457 -7.021 1.00 0.00 O ATOM 0 H SER A 69 -8.466 16.005 -7.535 1.00 0.00 H new ATOM 0 HA SER A 69 -9.845 14.388 -9.506 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.856 16.458 -7.515 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.863 15.389 -8.471 1.00 0.00 H new ATOM 0 HG SER A 69 -10.182 14.795 -6.279 1.00 0.00 H new ATOM 1104 N THR A 70 -8.986 16.397 -11.136 1.00 0.00 N ATOM 1105 CA THR A 70 -8.929 17.304 -12.294 1.00 0.00 C ATOM 1106 C THR A 70 -8.038 16.749 -13.418 1.00 0.00 C ATOM 1107 O THR A 70 -7.121 15.962 -13.165 1.00 0.00 O ATOM 1108 CB THR A 70 -8.494 18.708 -11.837 1.00 0.00 C ATOM 1109 OG1 THR A 70 -8.733 19.665 -12.839 1.00 0.00 O ATOM 1110 CG2 THR A 70 -7.041 18.821 -11.394 1.00 0.00 C ATOM 0 H THR A 70 -8.185 15.767 -11.094 1.00 0.00 H new ATOM 0 HA THR A 70 -9.928 17.383 -12.722 1.00 0.00 H new ATOM 0 HB THR A 70 -9.108 18.901 -10.957 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.449 20.548 -12.522 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.832 19.847 -11.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.864 18.151 -10.553 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.386 18.546 -12.221 1.00 0.00 H new ATOM 1118 N ALA A 71 -8.314 17.149 -14.663 1.00 0.00 N ATOM 1119 CA ALA A 71 -7.821 16.532 -15.904 1.00 0.00 C ATOM 1120 C ALA A 71 -6.296 16.277 -15.997 1.00 0.00 C ATOM 1121 O ALA A 71 -5.876 15.261 -16.563 1.00 0.00 O ATOM 1122 CB ALA A 71 -8.283 17.430 -17.060 1.00 0.00 C ATOM 0 H ALA A 71 -8.917 17.951 -14.845 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.238 15.526 -15.941 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.939 17.011 -18.006 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.371 17.488 -17.063 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.867 18.429 -16.933 1.00 0.00 H new ATOM 1128 N GLU A 72 -5.460 17.156 -15.439 1.00 0.00 N ATOM 1129 CA GLU A 72 -3.988 17.047 -15.509 1.00 0.00 C ATOM 1130 C GLU A 72 -3.364 16.062 -14.494 1.00 0.00 C ATOM 1131 O GLU A 72 -2.150 15.857 -14.506 1.00 0.00 O ATOM 1132 CB GLU A 72 -3.374 18.453 -15.417 1.00 0.00 C ATOM 1133 CG GLU A 72 -3.321 19.001 -13.989 1.00 0.00 C ATOM 1134 CD GLU A 72 -3.120 20.514 -13.973 1.00 0.00 C ATOM 1135 OE1 GLU A 72 -4.120 21.252 -14.159 1.00 0.00 O ATOM 1136 OE2 GLU A 72 -1.973 20.989 -13.776 1.00 0.00 O ATOM 0 H GLU A 72 -5.782 17.973 -14.920 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.744 16.603 -16.474 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.364 18.428 -15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.953 19.136 -16.039 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.246 18.751 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.509 18.520 -13.444 1.00 0.00 H new ATOM 1144 N HIS A 73 -4.181 15.454 -13.624 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.766 14.593 -12.507 1.00 0.00 C ATOM 1146 C HIS A 73 -4.580 13.282 -12.417 1.00 0.00 C ATOM 1147 O HIS A 73 -4.499 12.577 -11.410 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.879 15.386 -11.198 1.00 0.00 C ATOM 1149 CG HIS A 73 -3.059 16.651 -11.095 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.686 16.775 -11.103 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.562 17.904 -10.891 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.379 18.070 -10.919 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.498 18.802 -10.760 1.00 0.00 N ATOM 0 H HIS A 73 -5.195 15.553 -13.682 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.733 14.295 -12.684 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.927 15.647 -11.048 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.594 14.728 -10.377 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.610 18.160 -10.839 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.375 18.468 -10.901 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.557 19.804 -10.581 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.369 12.924 -13.440 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.270 11.748 -13.412 1.00 0.00 C ATOM 1164 C VAL A 74 -5.554 10.401 -13.254 1.00 0.00 C ATOM 1165 O VAL A 74 -6.144 9.474 -12.695 1.00 0.00 O ATOM 1166 CB VAL A 74 -7.209 11.702 -14.635 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -8.149 12.910 -14.635 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -6.464 11.646 -15.976 1.00 0.00 C ATOM 0 H VAL A 74 -5.405 13.441 -14.318 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.864 11.894 -12.510 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.777 10.776 -14.539 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.804 12.861 -15.505 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.751 12.903 -13.726 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.562 13.828 -14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.186 11.616 -16.792 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.835 12.530 -16.080 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.841 10.752 -16.009 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.282 10.284 -13.645 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.481 9.087 -13.361 1.00 0.00 C ATOM 1180 C ALA A 75 -3.033 9.055 -11.886 1.00 0.00 C ATOM 1181 O ALA A 75 -3.066 8.006 -11.234 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.294 9.038 -14.328 1.00 0.00 C ATOM 0 H ALA A 75 -3.781 11.007 -14.162 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.089 8.195 -13.515 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.694 8.151 -14.123 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.661 8.999 -15.353 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.681 9.929 -14.197 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.705 10.226 -11.325 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.396 10.403 -9.900 1.00 0.00 C ATOM 1190 C ILE A 76 -3.631 10.128 -9.025 1.00 0.00 C ATOM 1191 O ILE A 76 -3.505 9.585 -7.931 1.00 0.00 O ATOM 1192 CB ILE A 76 -1.881 11.826 -9.578 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.007 12.555 -10.625 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -1.137 11.760 -8.233 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.480 12.194 -10.611 1.00 0.00 C ATOM 0 H ILE A 76 -2.646 11.093 -11.859 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.608 9.684 -9.676 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.780 12.443 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.405 12.341 -11.617 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.103 13.629 -10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.760 12.750 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.821 11.419 -7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.302 11.064 -8.313 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.999 12.761 -11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.904 12.436 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.597 11.128 -10.803 1.00 0.00 H new ATOM 1207 N ARG A 77 -4.837 10.453 -9.508 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.116 10.204 -8.820 1.00 0.00 C ATOM 1209 C ARG A 77 -6.300 8.714 -8.502 1.00 0.00 C ATOM 1210 O ARG A 77 -6.597 8.365 -7.360 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.238 10.780 -9.699 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.618 10.874 -9.026 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.679 11.384 -10.017 1.00 0.00 C ATOM 1214 NE ARG A 77 -9.856 10.448 -11.143 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.447 10.658 -12.301 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -11.067 11.753 -12.616 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -10.398 9.734 -13.205 1.00 0.00 N ATOM 0 H ARG A 77 -4.956 10.909 -10.413 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.137 10.702 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.944 11.777 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.329 10.163 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.910 9.894 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.564 11.544 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.629 11.517 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.384 12.362 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.469 9.514 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.119 12.521 -11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.503 11.846 -13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.907 8.860 -13.015 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.850 9.879 -14.108 1.00 0.00 H new ATOM 1231 N SER A 78 -6.004 7.821 -9.451 1.00 0.00 N ATOM 1232 CA SER A 78 -5.945 6.367 -9.222 1.00 0.00 C ATOM 1233 C SER A 78 -4.798 5.965 -8.290 1.00 0.00 C ATOM 1234 O SER A 78 -4.977 5.111 -7.421 1.00 0.00 O ATOM 1235 CB SER A 78 -5.820 5.635 -10.561 1.00 0.00 C ATOM 1236 OG SER A 78 -6.897 5.975 -11.413 1.00 0.00 O ATOM 0 H SER A 78 -5.795 8.087 -10.413 1.00 0.00 H new ATOM 0 HA SER A 78 -6.872 6.078 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.875 5.895 -11.038 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.807 4.558 -10.394 1.00 0.00 H new ATOM 0 HG SER A 78 -6.802 5.501 -12.265 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.663 6.672 -8.358 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.547 6.551 -7.406 1.00 0.00 C ATOM 1244 C LYS A 79 -2.865 7.082 -5.991 1.00 0.00 C ATOM 1245 O LYS A 79 -2.027 6.936 -5.107 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.286 7.180 -8.036 1.00 0.00 C ATOM 1247 CG LYS A 79 0.033 6.664 -7.440 1.00 0.00 C ATOM 1248 CD LYS A 79 1.250 6.997 -8.319 1.00 0.00 C ATOM 1249 CE LYS A 79 1.568 8.495 -8.423 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.746 8.719 -9.295 1.00 0.00 N ATOM 0 H LYS A 79 -3.489 7.359 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.360 5.492 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.291 6.982 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.331 8.262 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.175 7.098 -6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.030 5.584 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.123 6.480 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.077 6.605 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.706 9.028 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.761 8.901 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.946 9.738 -9.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.571 8.226 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.548 8.350 -10.247 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.075 7.606 -5.735 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.674 7.693 -4.391 1.00 0.00 C ATOM 1266 C LEU A 80 -5.859 6.720 -4.182 1.00 0.00 C ATOM 1267 O LEU A 80 -5.969 6.187 -3.079 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.030 9.149 -3.999 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.881 10.110 -3.614 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.808 9.475 -2.726 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.192 10.733 -4.826 1.00 0.00 C ATOM 0 H LEU A 80 -4.675 7.987 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.898 7.361 -3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.570 9.595 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.723 9.106 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.387 10.887 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.038 10.213 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.262 9.129 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.358 8.630 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.395 11.397 -4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.769 9.945 -5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.919 11.302 -5.405 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.687 6.402 -5.193 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.748 5.371 -5.073 1.00 0.00 C ATOM 1285 C GLN A 81 -7.192 4.025 -4.604 1.00 0.00 C ATOM 1286 O GLN A 81 -7.646 3.465 -3.606 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.467 5.080 -6.408 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.394 6.174 -6.932 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.463 6.557 -5.920 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -10.524 7.820 -5.594 1.00 0.00 O flip ATOM 1291 NE2 GLN A 81 -11.207 5.743 -5.380 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.645 6.845 -6.111 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.443 5.795 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.711 4.881 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.049 4.166 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -8.805 7.055 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.872 5.833 -7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.157 4.757 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.875 6.053 -4.674 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.191 3.503 -5.316 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.685 2.156 -5.052 1.00 0.00 C ATOM 1302 C TYR A 82 -4.940 2.088 -3.706 1.00 0.00 C ATOM 1303 O TYR A 82 -5.014 1.075 -3.015 1.00 0.00 O ATOM 1304 CB TYR A 82 -4.871 1.647 -6.257 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.411 1.387 -5.956 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.043 0.171 -5.355 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.454 2.394 -6.173 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.730 -0.017 -4.892 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.126 2.197 -5.729 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.771 1.002 -5.055 1.00 0.00 C ATOM 1311 OH TYR A 82 0.474 0.837 -4.531 1.00 0.00 O ATOM 0 H TYR A 82 -5.717 3.991 -6.076 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.524 1.469 -4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.324 0.726 -6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.939 2.379 -7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.771 -0.620 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.731 3.310 -6.674 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.455 -0.944 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.381 2.959 -5.904 1.00 0.00 H new ATOM 0 HH TYR A 82 1.146 1.031 -5.217 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.307 3.189 -3.267 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.731 3.318 -1.916 1.00 0.00 C ATOM 1323 C ARG A 83 -4.816 3.277 -0.835 1.00 0.00 C ATOM 1324 O ARG A 83 -4.623 2.637 0.196 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.961 4.639 -1.772 1.00 0.00 C ATOM 1326 CG ARG A 83 -1.854 4.941 -2.784 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.562 4.118 -2.659 1.00 0.00 C ATOM 1328 NE ARG A 83 0.568 4.893 -3.204 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.680 4.493 -3.791 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.974 3.271 -4.120 1.00 0.00 N ATOM 1331 NH2 ARG A 83 2.590 5.381 -4.039 1.00 0.00 N ATOM 0 H ARG A 83 -4.179 4.021 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.055 2.474 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.684 5.453 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.518 4.660 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.258 4.791 -3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.595 5.996 -2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.376 3.869 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.664 3.176 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 83 0.475 5.905 -3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.314 2.518 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.865 3.065 -4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.435 6.356 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.461 5.105 -4.492 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.961 3.925 -1.071 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.101 3.933 -0.152 1.00 0.00 C ATOM 1347 C LEU A 84 -7.789 2.565 -0.072 1.00 0.00 C ATOM 1348 O LEU A 84 -8.273 2.186 0.997 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.059 5.054 -0.597 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.220 5.374 0.361 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.775 5.617 1.802 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.918 6.652 -0.104 1.00 0.00 C ATOM 0 H LEU A 84 -6.123 4.467 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.758 4.132 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.477 5.963 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.479 4.782 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.873 4.501 0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.646 5.837 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.275 4.727 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.086 6.461 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.742 6.883 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.205 7.477 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.305 6.509 -1.113 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.770 1.788 -1.154 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.119 0.362 -1.121 1.00 0.00 C ATOM 1366 C GLU A 85 -7.075 -0.471 -0.357 1.00 0.00 C ATOM 1367 O GLU A 85 -7.440 -1.255 0.525 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.307 -0.191 -2.543 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.601 0.306 -3.206 1.00 0.00 C ATOM 1370 CD GLU A 85 -10.249 -0.784 -4.065 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -11.302 -1.333 -3.654 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -9.745 -1.101 -5.173 1.00 0.00 O ATOM 0 H GLU A 85 -7.512 2.127 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.064 0.279 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.454 0.099 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.317 -1.280 -2.506 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.303 0.630 -2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.382 1.176 -3.825 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.779 -0.291 -0.627 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.712 -1.049 0.039 1.00 0.00 C ATOM 1382 C LEU A 86 -4.511 -0.667 1.511 1.00 0.00 C ATOM 1383 O LEU A 86 -3.975 -1.478 2.257 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.401 -0.991 -0.772 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.149 -2.212 -1.682 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.848 -3.480 -0.876 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.304 -2.500 -2.643 1.00 0.00 C ATOM 0 H LEU A 86 -5.438 0.383 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.041 -2.088 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.411 -0.092 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.565 -0.893 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.274 -1.940 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.678 -4.313 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.958 -3.321 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.694 -3.709 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.061 -3.370 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.211 -2.698 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.463 -1.637 -3.289 1.00 0.00 H new ATOM 1399 N ALA A 87 -5.024 0.467 1.991 1.00 0.00 N ATOM 1400 CA ALA A 87 -5.144 0.728 3.426 1.00 0.00 C ATOM 1401 C ALA A 87 -6.079 -0.290 4.104 1.00 0.00 C ATOM 1402 O ALA A 87 -5.701 -0.892 5.112 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.600 2.175 3.637 1.00 0.00 C ATOM 0 H ALA A 87 -5.366 1.225 1.401 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.171 0.604 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.691 2.376 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.867 2.855 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.566 2.326 3.156 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.244 -0.570 3.498 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.161 -1.626 3.961 1.00 0.00 C ATOM 1411 C GLN A 88 -7.583 -3.040 3.726 1.00 0.00 C ATOM 1412 O GLN A 88 -7.902 -3.993 4.441 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.543 -1.545 3.285 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.992 -0.177 2.752 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.135 0.910 3.811 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -10.829 0.770 4.810 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -9.533 2.053 3.588 1.00 0.00 N ATOM 0 H GLN A 88 -7.577 -0.071 2.673 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.278 -1.454 5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.553 -2.250 2.453 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.289 -1.888 4.002 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.274 0.158 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.949 -0.298 2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.955 2.171 2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.643 2.824 4.246 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.726 -3.169 2.715 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.021 -4.402 2.353 1.00 0.00 C ATOM 1428 C GLY A 89 -4.942 -4.787 3.367 1.00 0.00 C ATOM 1429 O GLY A 89 -4.896 -5.933 3.819 1.00 0.00 O ATOM 0 H GLY A 89 -6.493 -2.389 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.741 -5.216 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.563 -4.279 1.371 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.116 -3.815 3.758 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.977 -3.967 4.656 1.00 0.00 C ATOM 1435 C ALA A 90 -3.378 -4.028 6.138 1.00 0.00 C ATOM 1436 O ALA A 90 -2.739 -4.762 6.897 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.012 -2.807 4.382 1.00 0.00 C ATOM 0 H ALA A 90 -4.232 -2.853 3.439 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.496 -4.925 4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.146 -2.891 5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.684 -2.844 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.519 -1.860 4.569 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.447 -3.327 6.552 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.016 -3.486 7.907 1.00 0.00 C ATOM 1445 C VAL A 91 -5.732 -4.840 8.052 1.00 0.00 C ATOM 1446 O VAL A 91 -5.651 -5.480 9.097 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.917 -2.292 8.290 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.296 -2.323 7.625 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.120 -2.204 9.805 1.00 0.00 C ATOM 0 H VAL A 91 -4.936 -2.645 5.971 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.192 -3.487 8.620 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.382 -1.416 7.924 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.872 -1.453 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.178 -2.305 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.821 -3.232 7.918 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.759 -1.352 10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.591 -3.119 10.163 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.154 -2.078 10.295 1.00 0.00 H new