USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 841 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 71 MET CE :methyl 177:sc= -1.31 (180deg=0) USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= -3.36 F(o=-5.9!,f=-4.7) USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -3.51! C(o=-12!,f=-5.2!) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -1.74 K(o=-5.2,f=-7.6!) USER MOD Set 3.1: A 25 MET CE :methyl -145:sc= -1.07 (180deg=-1.43!) USER MOD Set 3.2: A 28 GLN : amide:sc= -7.78! C(o=-15!,f=-22!) USER MOD Set 3.3: A 73 GLN : amide:sc= -0.255 K(o=-15,f=-19) USER MOD Set 3.4: A 87 MET CE :methyl 135:sc= -6.26! (180deg=-5.99!) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -2.6 X(o=-3,f=-2.9!) USER MOD Set 4.2: A 52 GLN : amide:sc= -0.429 X(o=-3,f=-3.2) USER MOD Set 5.1: A 15 GLN : amide:sc= -4.76! C(o=-4.9!,f=-7.3!) USER MOD Set 5.2: A 56 MET CE :methyl 154:sc= -0.153 (180deg=-1.1) USER MOD Set 6.1: A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 67 MET CE :methyl -143:sc= -0.243 (180deg=-1.49!) USER MOD Single : A 5 GLN : amide:sc= 0.221 K(o=0.22,f=-0.57) USER MOD Single : A 11 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.2!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 MET CE :methyl 145:sc= -1.72 (180deg=-3.91!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -154:sc= -0.199 (180deg=-1.28) USER MOD Single : A 24 TYR OH : rot -155:sc= -0.787 USER MOD Single : A 29 MET CE :methyl 170:sc= -1.39 (180deg=-1.52) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.259 USER MOD Single : A 35 GLN :FLIP amide:sc= -5.41! C(o=-7.4!,f=-5.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -152:sc= -0.263 (180deg=-1.41!) USER MOD Single : A 46 MET CE :methyl 152:sc= -3.21 (180deg=-8.41!) USER MOD Single : A 47 SER OG : rot -170:sc= -0.0671 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 152:sc= -1.99 (180deg=-2.71!) USER MOD Single : A 69 MET CE :methyl 134:sc= -0.121 (180deg=-0.797) USER MOD Single : A 72 MET CE :methyl 164:sc= -2.98 (180deg=-3.93!) USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.016 (180deg=-0.204) USER MOD Single : A 77 MET CE :methyl -170:sc= -0.618 (180deg=-0.942) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.782 F(o=-2.7,f=-0.78) USER MOD Single : A 83 GLN : amide:sc= -2.68 K(o=-2.7,f=-3.2) USER MOD Single : A 84 MET CE :methyl -163:sc= -1.33 (180deg=-1.81) USER MOD Single : A 88 MET CE :methyl -168:sc= -1.87 (180deg=-2.54) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.00043) USER MOD Single : A 96 SER OG : rot 81:sc= 1.16 USER MOD Single : A 99 ASN : amide:sc= -3.24! C(o=-3.2!,f=-5.1!) USER MOD Single : A 101 SER OG : rot 50:sc= 0.383 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -149:sc= -0.797 (180deg=-3.91!) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.517 42.333 -8.834 1.00 0.00 N ATOM 19 CA ALA A 2 -0.819 43.089 -10.045 1.00 0.00 C ATOM 20 C ALA A 2 -2.112 43.882 -9.878 1.00 0.00 C ATOM 21 O ALA A 2 -3.011 43.473 -9.141 1.00 0.00 O ATOM 22 CB ALA A 2 -0.952 42.139 -11.238 1.00 0.00 C ATOM 0 HA ALA A 2 -0.000 43.786 -10.225 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.177 42.713 -12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.016 41.598 -11.378 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.757 41.429 -11.050 1.00 0.00 H new ATOM 28 N GLU A 3 -2.198 45.013 -10.572 1.00 0.00 N ATOM 29 CA GLU A 3 -3.385 45.861 -10.504 1.00 0.00 C ATOM 30 C GLU A 3 -4.610 45.112 -11.026 1.00 0.00 C ATOM 31 O GLU A 3 -5.747 45.484 -10.733 1.00 0.00 O ATOM 32 CB GLU A 3 -3.167 47.142 -11.322 1.00 0.00 C ATOM 33 CG GLU A 3 -3.204 46.829 -12.825 1.00 0.00 C ATOM 34 CD GLU A 3 -2.101 45.835 -13.193 1.00 0.00 C ATOM 35 OE1 GLU A 3 -0.948 46.135 -12.933 1.00 0.00 O ATOM 36 OE2 GLU A 3 -2.429 44.788 -13.727 1.00 0.00 O ATOM 0 H GLU A 3 -1.463 45.363 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 3 -3.558 46.129 -9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.937 47.873 -11.077 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.208 47.590 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.177 46.417 -13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.079 47.748 -13.397 1.00 0.00 H new ATOM 43 N ALA A 4 -4.364 44.056 -11.800 1.00 0.00 N ATOM 44 CA ALA A 4 -5.448 43.255 -12.361 1.00 0.00 C ATOM 45 C ALA A 4 -6.136 42.440 -11.273 1.00 0.00 C ATOM 46 O ALA A 4 -7.066 41.680 -11.548 1.00 0.00 O ATOM 47 CB ALA A 4 -4.906 42.322 -13.446 1.00 0.00 C ATOM 0 H ALA A 4 -3.428 43.737 -12.051 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.180 43.931 -12.803 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.723 41.729 -13.858 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.451 42.913 -14.240 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.158 41.658 -13.014 1.00 0.00 H new ATOM 53 N GLN A 5 -5.681 42.618 -10.039 1.00 0.00 N ATOM 54 CA GLN A 5 -6.260 41.914 -8.905 1.00 0.00 C ATOM 55 C GLN A 5 -7.777 42.067 -8.905 1.00 0.00 C ATOM 56 O GLN A 5 -8.503 41.136 -8.558 1.00 0.00 O ATOM 57 CB GLN A 5 -5.687 42.495 -7.614 1.00 0.00 C ATOM 58 CG GLN A 5 -6.289 41.775 -6.403 1.00 0.00 C ATOM 59 CD GLN A 5 -5.751 42.380 -5.110 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.849 43.589 -4.900 1.00 0.00 O ATOM 61 NE2 GLN A 5 -5.185 41.605 -4.225 1.00 0.00 N ATOM 0 H GLN A 5 -4.912 43.244 -9.799 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.016 40.854 -8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.602 42.389 -7.608 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.904 43.562 -7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.376 41.855 -6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.047 40.713 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.105 40.604 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.823 42.001 -3.358 1.00 0.00 H new ATOM 70 N GLU A 6 -8.247 43.248 -9.300 1.00 0.00 N ATOM 71 CA GLU A 6 -9.679 43.516 -9.349 1.00 0.00 C ATOM 72 C GLU A 6 -10.401 42.442 -10.161 1.00 0.00 C ATOM 73 O GLU A 6 -11.389 41.867 -9.702 1.00 0.00 O ATOM 74 CB GLU A 6 -9.929 44.901 -9.959 1.00 0.00 C ATOM 75 CG GLU A 6 -9.362 44.957 -11.383 1.00 0.00 C ATOM 76 CD GLU A 6 -9.349 46.399 -11.884 1.00 0.00 C ATOM 77 OE1 GLU A 6 -10.411 46.901 -12.213 1.00 0.00 O ATOM 78 OE2 GLU A 6 -8.278 46.980 -11.928 1.00 0.00 O ATOM 0 H GLU A 6 -7.659 44.030 -9.589 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.073 43.498 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.998 45.112 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.462 45.669 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.351 44.549 -11.397 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.964 44.338 -12.048 1.00 0.00 H new ATOM 85 N GLU A 7 -9.885 42.159 -11.357 1.00 0.00 N ATOM 86 CA GLU A 7 -10.469 41.134 -12.209 1.00 0.00 C ATOM 87 C GLU A 7 -10.502 39.810 -11.465 1.00 0.00 C ATOM 88 O GLU A 7 -11.476 39.061 -11.542 1.00 0.00 O ATOM 89 CB GLU A 7 -9.646 40.990 -13.496 1.00 0.00 C ATOM 90 CG GLU A 7 -10.081 39.729 -14.256 1.00 0.00 C ATOM 91 CD GLU A 7 -9.157 38.566 -13.906 1.00 0.00 C ATOM 92 OE1 GLU A 7 -7.996 38.622 -14.280 1.00 0.00 O ATOM 93 OE2 GLU A 7 -9.622 37.637 -13.271 1.00 0.00 O ATOM 0 H GLU A 7 -9.068 42.625 -11.753 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.486 41.424 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.782 41.870 -14.125 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.585 40.932 -13.255 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.110 39.477 -14.000 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.056 39.914 -15.330 1.00 0.00 H new ATOM 100 N CYS A 8 -9.417 39.532 -10.748 1.00 0.00 N ATOM 101 CA CYS A 8 -9.313 38.295 -9.995 1.00 0.00 C ATOM 102 C CYS A 8 -10.324 38.269 -8.856 1.00 0.00 C ATOM 103 O CYS A 8 -11.008 37.267 -8.650 1.00 0.00 O ATOM 104 CB CYS A 8 -7.900 38.138 -9.425 1.00 0.00 C ATOM 105 SG CYS A 8 -6.688 38.226 -10.765 1.00 0.00 S ATOM 0 H CYS A 8 -8.605 40.145 -10.675 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.524 37.468 -10.674 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.704 38.921 -8.693 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.812 37.185 -8.904 1.00 0.00 H new ATOM 110 N ARG A 9 -10.411 39.378 -8.122 1.00 0.00 N ATOM 111 CA ARG A 9 -11.336 39.479 -6.996 1.00 0.00 C ATOM 112 C ARG A 9 -12.754 39.128 -7.432 1.00 0.00 C ATOM 113 O ARG A 9 -13.465 38.407 -6.733 1.00 0.00 O ATOM 114 CB ARG A 9 -11.300 40.896 -6.418 1.00 0.00 C ATOM 115 CG ARG A 9 -12.166 40.960 -5.154 1.00 0.00 C ATOM 116 CD ARG A 9 -12.140 42.380 -4.580 1.00 0.00 C ATOM 117 NE ARG A 9 -10.796 42.712 -4.110 1.00 0.00 N ATOM 118 CZ ARG A 9 -9.947 43.423 -4.853 1.00 0.00 C ATOM 119 NH1 ARG A 9 -10.297 43.841 -6.040 1.00 0.00 N ATOM 120 NH2 ARG A 9 -8.758 43.700 -4.394 1.00 0.00 N ATOM 0 H ARG A 9 -9.854 40.216 -8.287 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.027 38.771 -6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.274 41.177 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.664 41.610 -7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.191 40.671 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.797 40.251 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.453 43.094 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.851 42.460 -3.757 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.500 42.391 -3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.225 43.624 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.643 44.384 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.480 43.373 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -8.107 44.244 -4.960 1.00 0.00 H new ATOM 134 N GLU A 10 -13.156 39.628 -8.596 1.00 0.00 N ATOM 135 CA GLU A 10 -14.488 39.337 -9.112 1.00 0.00 C ATOM 136 C GLU A 10 -14.647 37.833 -9.311 1.00 0.00 C ATOM 137 O GLU A 10 -15.635 37.236 -8.881 1.00 0.00 O ATOM 138 CB GLU A 10 -14.699 40.061 -10.447 1.00 0.00 C ATOM 139 CG GLU A 10 -16.074 39.703 -11.023 1.00 0.00 C ATOM 140 CD GLU A 10 -15.980 38.433 -11.871 1.00 0.00 C ATOM 141 OE1 GLU A 10 -15.140 38.392 -12.755 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.749 37.519 -11.619 1.00 0.00 O ATOM 0 H GLU A 10 -12.587 40.229 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.232 39.685 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.625 41.139 -10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.916 39.780 -11.151 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.788 39.555 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.447 40.527 -11.631 1.00 0.00 H new ATOM 149 N GLN A 11 -13.656 37.232 -9.965 1.00 0.00 N ATOM 150 CA GLN A 11 -13.664 35.798 -10.228 1.00 0.00 C ATOM 151 C GLN A 11 -13.683 34.985 -8.933 1.00 0.00 C ATOM 152 O GLN A 11 -14.210 33.876 -8.906 1.00 0.00 O ATOM 153 CB GLN A 11 -12.451 35.412 -11.081 1.00 0.00 C ATOM 154 CG GLN A 11 -12.612 36.005 -12.486 1.00 0.00 C ATOM 155 CD GLN A 11 -11.489 35.526 -13.405 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.535 35.761 -14.612 1.00 0.00 O ATOM 157 NE2 GLN A 11 -10.472 34.878 -12.905 1.00 0.00 N ATOM 0 H GLN A 11 -12.835 37.719 -10.323 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.577 35.565 -10.776 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.535 35.782 -10.620 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.363 34.327 -11.139 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.577 35.714 -12.901 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.604 37.094 -12.430 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.433 34.683 -11.905 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.716 34.567 -13.515 1.00 0.00 H new ATOM 166 N MET A 12 -13.099 35.527 -7.863 1.00 0.00 N ATOM 167 CA MET A 12 -13.068 34.808 -6.588 1.00 0.00 C ATOM 168 C MET A 12 -14.462 34.308 -6.216 1.00 0.00 C ATOM 169 O MET A 12 -14.618 33.184 -5.739 1.00 0.00 O ATOM 170 CB MET A 12 -12.539 35.714 -5.470 1.00 0.00 C ATOM 171 CG MET A 12 -11.060 36.025 -5.709 1.00 0.00 C ATOM 172 SD MET A 12 -10.436 37.065 -4.366 1.00 0.00 S ATOM 173 CE MET A 12 -8.784 37.354 -5.046 1.00 0.00 C ATOM 0 H MET A 12 -12.650 36.443 -7.851 1.00 0.00 H new ATOM 0 HA MET A 12 -12.401 33.954 -6.703 1.00 0.00 H new ATOM 0 HB2 MET A 12 -13.114 36.640 -5.437 1.00 0.00 H new ATOM 0 HB3 MET A 12 -12.666 35.226 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.487 35.099 -5.762 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.934 36.533 -6.665 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.215 37.986 -4.364 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.270 36.401 -5.171 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.870 37.849 -6.013 1.00 0.00 H new ATOM 183 N GLN A 13 -15.476 35.142 -6.458 1.00 0.00 N ATOM 184 CA GLN A 13 -16.852 34.756 -6.162 1.00 0.00 C ATOM 185 C GLN A 13 -17.229 33.556 -7.017 1.00 0.00 C ATOM 186 O GLN A 13 -17.785 32.571 -6.532 1.00 0.00 O ATOM 187 CB GLN A 13 -17.802 35.920 -6.458 1.00 0.00 C ATOM 188 CG GLN A 13 -17.446 37.115 -5.570 1.00 0.00 C ATOM 189 CD GLN A 13 -18.451 38.243 -5.780 1.00 0.00 C ATOM 190 OE1 GLN A 13 -19.556 38.200 -5.240 1.00 0.00 O ATOM 191 NE2 GLN A 13 -18.130 39.257 -6.536 1.00 0.00 N ATOM 0 H GLN A 13 -15.370 36.076 -6.853 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.934 34.497 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.731 36.202 -7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.833 35.615 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.442 36.811 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.441 37.465 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.213 39.290 -6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.796 40.016 -6.680 1.00 0.00 H new ATOM 200 N ARG A 14 -16.871 33.652 -8.293 1.00 0.00 N ATOM 201 CA ARG A 14 -17.105 32.595 -9.249 1.00 0.00 C ATOM 202 C ARG A 14 -16.396 31.348 -8.789 1.00 0.00 C ATOM 203 O ARG A 14 -16.904 30.234 -8.922 1.00 0.00 O ATOM 204 CB ARG A 14 -16.562 33.013 -10.615 1.00 0.00 C ATOM 205 CG ARG A 14 -17.444 34.114 -11.212 1.00 0.00 C ATOM 206 CD ARG A 14 -16.936 34.474 -12.610 1.00 0.00 C ATOM 207 NE ARG A 14 -17.162 33.364 -13.533 1.00 0.00 N ATOM 208 CZ ARG A 14 -18.370 33.112 -14.033 1.00 0.00 C ATOM 209 NH1 ARG A 14 -19.388 33.864 -13.709 1.00 0.00 N ATOM 210 NH2 ARG A 14 -18.538 32.109 -14.850 1.00 0.00 N ATOM 0 H ARG A 14 -16.409 34.472 -8.687 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.175 32.403 -9.329 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -15.537 33.370 -10.515 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.536 32.153 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -18.479 33.776 -11.265 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -17.429 34.995 -10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -17.447 35.366 -12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.873 34.711 -12.568 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.377 32.769 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.260 34.649 -13.070 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -20.311 33.666 -14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.745 31.520 -15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -19.462 31.914 -15.234 1.00 0.00 H new ATOM 224 N GLN A 15 -15.200 31.558 -8.249 1.00 0.00 N ATOM 225 CA GLN A 15 -14.403 30.466 -7.768 1.00 0.00 C ATOM 226 C GLN A 15 -15.010 29.922 -6.486 1.00 0.00 C ATOM 227 O GLN A 15 -14.513 30.155 -5.383 1.00 0.00 O ATOM 228 CB GLN A 15 -12.970 30.955 -7.536 1.00 0.00 C ATOM 229 CG GLN A 15 -12.059 30.442 -8.656 1.00 0.00 C ATOM 230 CD GLN A 15 -12.536 30.977 -10.003 1.00 0.00 C ATOM 231 OE1 GLN A 15 -12.611 32.187 -10.200 1.00 0.00 O ATOM 232 NE2 GLN A 15 -12.870 30.141 -10.948 1.00 0.00 N ATOM 0 H GLN A 15 -14.773 32.478 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 15 -14.381 29.662 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.948 32.044 -7.507 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.608 30.603 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.032 30.757 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.061 29.352 -8.667 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.808 29.136 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.193 30.493 -11.849 1.00 0.00 H new ATOM 241 N GLN A 16 -16.091 29.185 -6.665 1.00 0.00 N ATOM 242 CA GLN A 16 -16.803 28.573 -5.550 1.00 0.00 C ATOM 243 C GLN A 16 -16.200 27.210 -5.235 1.00 0.00 C ATOM 244 O GLN A 16 -16.897 26.291 -4.803 1.00 0.00 O ATOM 245 CB GLN A 16 -18.287 28.427 -5.897 1.00 0.00 C ATOM 246 CG GLN A 16 -18.879 29.817 -6.141 1.00 0.00 C ATOM 247 CD GLN A 16 -20.363 29.715 -6.481 1.00 0.00 C ATOM 248 OE1 GLN A 16 -20.865 28.631 -6.781 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.101 30.792 -6.452 1.00 0.00 N ATOM 0 H GLN A 16 -16.501 28.993 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.708 29.211 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.407 27.805 -6.784 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -18.817 27.929 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.745 30.436 -5.254 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.346 30.307 -6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.684 31.689 -6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.094 30.736 -6.678 1.00 0.00 H new ATOM 258 N MET A 17 -14.897 27.091 -5.468 1.00 0.00 N ATOM 259 CA MET A 17 -14.195 25.833 -5.221 1.00 0.00 C ATOM 260 C MET A 17 -14.212 25.474 -3.742 1.00 0.00 C ATOM 261 O MET A 17 -14.257 24.301 -3.385 1.00 0.00 O ATOM 262 CB MET A 17 -12.741 25.930 -5.701 1.00 0.00 C ATOM 263 CG MET A 17 -11.839 26.431 -4.565 1.00 0.00 C ATOM 264 SD MET A 17 -10.303 27.079 -5.261 1.00 0.00 S ATOM 265 CE MET A 17 -11.042 28.487 -6.122 1.00 0.00 C ATOM 0 H MET A 17 -14.308 27.843 -5.825 1.00 0.00 H new ATOM 0 HA MET A 17 -14.713 25.052 -5.777 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.398 24.954 -6.044 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.676 26.608 -6.552 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.350 27.208 -3.996 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.623 25.618 -3.872 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.354 29.332 -6.095 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.243 28.215 -7.158 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.975 28.764 -5.632 1.00 0.00 H new ATOM 275 N LEU A 18 -14.163 26.491 -2.893 1.00 0.00 N ATOM 276 CA LEU A 18 -14.150 26.279 -1.451 1.00 0.00 C ATOM 277 C LEU A 18 -15.402 25.528 -0.980 1.00 0.00 C ATOM 278 O LEU A 18 -15.375 24.873 0.059 1.00 0.00 O ATOM 279 CB LEU A 18 -14.033 27.619 -0.713 1.00 0.00 C ATOM 280 CG LEU A 18 -14.666 28.749 -1.535 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.056 28.331 -2.016 1.00 0.00 C ATOM 282 CD2 LEU A 18 -14.788 30.003 -0.667 1.00 0.00 C ATOM 0 H LEU A 18 -14.132 27.470 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.281 25.664 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.525 27.549 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.984 27.845 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.035 28.958 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.498 29.139 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.973 27.439 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.689 28.116 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.238 30.807 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.415 29.787 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.798 30.310 -0.330 1.00 0.00 H new ATOM 294 N SER A 19 -16.494 25.621 -1.745 1.00 0.00 N ATOM 295 CA SER A 19 -17.731 24.932 -1.378 1.00 0.00 C ATOM 296 C SER A 19 -17.564 23.426 -1.555 1.00 0.00 C ATOM 297 O SER A 19 -17.707 22.649 -0.603 1.00 0.00 O ATOM 298 CB SER A 19 -18.885 25.428 -2.253 1.00 0.00 C ATOM 299 OG SER A 19 -18.934 26.848 -2.203 1.00 0.00 O ATOM 0 H SER A 19 -16.546 26.159 -2.610 1.00 0.00 H new ATOM 0 HA SER A 19 -17.955 25.146 -0.333 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.747 25.093 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.828 25.007 -1.904 1.00 0.00 H new ATOM 0 HG SER A 19 -19.671 27.170 -2.763 1.00 0.00 H new ATOM 305 N HIS A 20 -17.224 23.025 -2.777 1.00 0.00 N ATOM 306 CA HIS A 20 -17.001 21.618 -3.077 1.00 0.00 C ATOM 307 C HIS A 20 -15.815 21.154 -2.257 1.00 0.00 C ATOM 308 O HIS A 20 -15.771 20.026 -1.766 1.00 0.00 O ATOM 309 CB HIS A 20 -16.712 21.429 -4.572 1.00 0.00 C ATOM 310 CG HIS A 20 -17.379 22.527 -5.358 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.733 23.198 -6.384 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.624 23.101 -5.261 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.582 24.129 -6.857 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.747 24.114 -6.206 1.00 0.00 N ATOM 0 H HIS A 20 -17.098 23.653 -3.571 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.889 21.035 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.637 21.443 -4.749 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -17.077 20.457 -4.903 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.390 22.810 -4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.349 24.806 -7.665 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -19.554 24.716 -6.367 1.00 0.00 H new ATOM 322 N CYS A 21 -14.867 22.070 -2.102 1.00 0.00 N ATOM 323 CA CYS A 21 -13.675 21.816 -1.324 1.00 0.00 C ATOM 324 C CYS A 21 -14.057 21.529 0.125 1.00 0.00 C ATOM 325 O CYS A 21 -13.545 20.592 0.735 1.00 0.00 O ATOM 326 CB CYS A 21 -12.763 23.040 -1.400 1.00 0.00 C ATOM 327 SG CYS A 21 -11.749 22.940 -2.901 1.00 0.00 S ATOM 0 H CYS A 21 -14.908 23.003 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.149 20.948 -1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.360 23.952 -1.410 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.124 23.087 -0.518 1.00 0.00 H new ATOM 332 N ARG A 22 -14.982 22.328 0.662 1.00 0.00 N ATOM 333 CA ARG A 22 -15.446 22.127 2.032 1.00 0.00 C ATOM 334 C ARG A 22 -15.991 20.713 2.175 1.00 0.00 C ATOM 335 O ARG A 22 -15.621 19.972 3.096 1.00 0.00 O ATOM 336 CB ARG A 22 -16.537 23.148 2.374 1.00 0.00 C ATOM 337 CG ARG A 22 -17.016 22.938 3.815 1.00 0.00 C ATOM 338 CD ARG A 22 -15.931 23.387 4.797 1.00 0.00 C ATOM 339 NE ARG A 22 -16.361 23.136 6.170 1.00 0.00 N ATOM 340 CZ ARG A 22 -16.309 21.915 6.702 1.00 0.00 C ATOM 341 NH1 ARG A 22 -15.869 20.908 5.996 1.00 0.00 N ATOM 342 NH2 ARG A 22 -16.703 21.725 7.931 1.00 0.00 N ATOM 0 H ARG A 22 -15.419 23.110 0.174 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.612 22.266 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.150 24.160 2.254 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.375 23.043 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.932 23.503 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.254 21.887 3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.003 22.852 4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.723 24.448 4.661 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.709 23.912 6.734 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.564 21.054 5.034 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.831 19.975 6.407 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.050 22.510 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.664 20.792 8.340 1.00 0.00 H new ATOM 356 N MET A 23 -16.847 20.321 1.233 1.00 0.00 N ATOM 357 CA MET A 23 -17.388 18.973 1.262 1.00 0.00 C ATOM 358 C MET A 23 -16.222 17.999 1.254 1.00 0.00 C ATOM 359 O MET A 23 -16.182 17.043 2.026 1.00 0.00 O ATOM 360 CB MET A 23 -18.286 18.728 0.044 1.00 0.00 C ATOM 361 CG MET A 23 -19.513 19.643 0.114 1.00 0.00 C ATOM 362 SD MET A 23 -20.400 19.360 1.668 1.00 0.00 S ATOM 363 CE MET A 23 -20.844 17.630 1.378 1.00 0.00 C ATOM 0 H MET A 23 -17.171 20.904 0.461 1.00 0.00 H new ATOM 0 HA MET A 23 -17.993 18.834 2.158 1.00 0.00 H new ATOM 0 HB2 MET A 23 -17.730 18.919 -0.874 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.600 17.685 0.016 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.205 20.686 0.045 1.00 0.00 H new ATOM 0 HG3 MET A 23 -20.172 19.449 -0.732 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.743 17.386 1.943 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.030 17.475 0.315 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.026 16.985 1.701 1.00 0.00 H new ATOM 373 N TYR A 24 -15.247 18.291 0.397 1.00 0.00 N ATOM 374 CA TYR A 24 -14.049 17.474 0.301 1.00 0.00 C ATOM 375 C TYR A 24 -13.383 17.368 1.673 1.00 0.00 C ATOM 376 O TYR A 24 -12.909 16.301 2.046 1.00 0.00 O ATOM 377 CB TYR A 24 -13.095 18.078 -0.744 1.00 0.00 C ATOM 378 CG TYR A 24 -11.657 17.967 -0.290 1.00 0.00 C ATOM 379 CD1 TYR A 24 -11.084 16.710 -0.067 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.893 19.127 -0.104 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.752 16.612 0.345 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.561 19.029 0.305 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.990 17.773 0.530 1.00 0.00 C ATOM 384 OH TYR A 24 -7.674 17.677 0.927 1.00 0.00 O ATOM 0 H TYR A 24 -15.267 19.088 -0.239 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.312 16.467 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.220 17.564 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.348 19.125 -0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.671 15.815 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.334 20.097 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.311 15.642 0.521 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.972 19.923 0.447 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.409 18.503 1.383 1.00 0.00 H new ATOM 394 N MET A 25 -13.369 18.472 2.425 1.00 0.00 N ATOM 395 CA MET A 25 -12.774 18.462 3.762 1.00 0.00 C ATOM 396 C MET A 25 -13.451 17.397 4.616 1.00 0.00 C ATOM 397 O MET A 25 -12.793 16.648 5.341 1.00 0.00 O ATOM 398 CB MET A 25 -12.945 19.822 4.437 1.00 0.00 C ATOM 399 CG MET A 25 -12.177 20.894 3.661 1.00 0.00 C ATOM 400 SD MET A 25 -10.397 20.608 3.823 1.00 0.00 S ATOM 401 CE MET A 25 -10.263 20.982 5.590 1.00 0.00 C ATOM 0 H MET A 25 -13.757 19.370 2.136 1.00 0.00 H new ATOM 0 HA MET A 25 -11.711 18.243 3.664 1.00 0.00 H new ATOM 0 HB2 MET A 25 -14.002 20.083 4.484 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.582 19.775 5.464 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.464 20.872 2.610 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.432 21.884 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.307 21.467 5.788 1.00 0.00 H new ATOM 0 HE2 MET A 25 -11.075 21.647 5.884 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.326 20.057 6.163 1.00 0.00 H new ATOM 411 N ARG A 26 -14.777 17.323 4.523 1.00 0.00 N ATOM 412 CA ARG A 26 -15.508 16.319 5.290 1.00 0.00 C ATOM 413 C ARG A 26 -15.037 14.923 4.878 1.00 0.00 C ATOM 414 O ARG A 26 -14.701 14.083 5.723 1.00 0.00 O ATOM 415 CB ARG A 26 -17.014 16.455 5.042 1.00 0.00 C ATOM 416 CG ARG A 26 -17.774 15.496 5.965 1.00 0.00 C ATOM 417 CD ARG A 26 -19.273 15.571 5.662 1.00 0.00 C ATOM 418 NE ARG A 26 -20.020 14.744 6.606 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.036 13.416 6.505 1.00 0.00 C ATOM 420 NH1 ARG A 26 -19.377 12.819 5.548 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.714 12.708 7.366 1.00 0.00 N ATOM 0 H ARG A 26 -15.354 17.929 3.940 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.315 16.470 6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.332 17.481 5.225 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.243 16.232 4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.415 14.477 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.590 15.756 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.613 16.605 5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.463 15.234 4.643 1.00 0.00 H new ATOM 0 HE ARG A 26 -20.541 15.193 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.847 13.370 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.393 11.802 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.230 13.172 8.114 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -20.728 11.691 7.291 1.00 0.00 H new ATOM 435 N GLN A 27 -14.979 14.700 3.565 1.00 0.00 N ATOM 436 CA GLN A 27 -14.512 13.425 3.036 1.00 0.00 C ATOM 437 C GLN A 27 -13.089 13.199 3.479 1.00 0.00 C ATOM 438 O GLN A 27 -12.671 12.072 3.717 1.00 0.00 O ATOM 439 CB GLN A 27 -14.576 13.406 1.505 1.00 0.00 C ATOM 440 CG GLN A 27 -15.864 12.711 1.053 1.00 0.00 C ATOM 441 CD GLN A 27 -17.061 13.614 1.316 1.00 0.00 C ATOM 442 OE1 GLN A 27 -16.868 14.815 1.781 1.00 0.00 O flip ATOM 443 NE2 GLN A 27 -18.205 13.214 1.093 1.00 0.00 N flip ATOM 0 H GLN A 27 -15.248 15.382 2.855 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.158 12.634 3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.545 14.424 1.117 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.708 12.884 1.101 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.805 12.471 -0.009 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.985 11.768 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.354 12.273 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.003 13.824 1.273 1.00 0.00 H new ATOM 452 N GLN A 28 -12.354 14.299 3.589 1.00 0.00 N ATOM 453 CA GLN A 28 -10.977 14.248 4.004 1.00 0.00 C ATOM 454 C GLN A 28 -10.899 13.711 5.428 1.00 0.00 C ATOM 455 O GLN A 28 -9.992 12.949 5.767 1.00 0.00 O ATOM 456 CB GLN A 28 -10.384 15.647 3.882 1.00 0.00 C ATOM 457 CG GLN A 28 -9.109 15.764 4.723 1.00 0.00 C ATOM 458 CD GLN A 28 -9.443 16.218 6.139 1.00 0.00 C ATOM 459 OE1 GLN A 28 -10.261 17.118 6.327 1.00 0.00 O ATOM 460 NE2 GLN A 28 -8.851 15.646 7.152 1.00 0.00 N ATOM 0 H GLN A 28 -12.701 15.238 3.393 1.00 0.00 H new ATOM 0 HA GLN A 28 -10.399 13.576 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.159 15.863 2.838 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.113 16.387 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.598 14.802 4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.424 16.474 4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.174 14.900 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.066 15.945 8.103 1.00 0.00 H new ATOM 469 N MET A 29 -11.881 14.083 6.247 1.00 0.00 N ATOM 470 CA MET A 29 -11.934 13.595 7.616 1.00 0.00 C ATOM 471 C MET A 29 -12.100 12.079 7.588 1.00 0.00 C ATOM 472 O MET A 29 -11.286 11.344 8.149 1.00 0.00 O ATOM 473 CB MET A 29 -13.115 14.232 8.359 1.00 0.00 C ATOM 474 CG MET A 29 -13.137 13.752 9.814 1.00 0.00 C ATOM 475 SD MET A 29 -14.688 14.265 10.599 1.00 0.00 S ATOM 476 CE MET A 29 -14.372 16.047 10.621 1.00 0.00 C ATOM 0 H MET A 29 -12.640 14.713 5.987 1.00 0.00 H new ATOM 0 HA MET A 29 -11.013 13.861 8.135 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.033 15.318 8.327 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.051 13.968 7.866 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.040 12.667 9.851 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.288 14.167 10.357 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.282 16.574 10.905 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.584 16.268 11.341 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.058 16.373 9.629 1.00 0.00 H new ATOM 486 N GLU A 30 -13.149 11.621 6.901 1.00 0.00 N ATOM 487 CA GLU A 30 -13.403 10.184 6.771 1.00 0.00 C ATOM 488 C GLU A 30 -12.286 9.508 5.970 1.00 0.00 C ATOM 489 O GLU A 30 -12.000 8.324 6.151 1.00 0.00 O ATOM 490 CB GLU A 30 -14.747 9.936 6.078 1.00 0.00 C ATOM 491 CG GLU A 30 -15.896 10.396 6.986 1.00 0.00 C ATOM 492 CD GLU A 30 -16.269 11.845 6.680 1.00 0.00 C ATOM 493 OE1 GLU A 30 -16.547 12.134 5.528 1.00 0.00 O ATOM 494 OE2 GLU A 30 -16.271 12.643 7.602 1.00 0.00 O ATOM 0 H GLU A 30 -13.830 12.217 6.430 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.432 9.757 7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.782 10.474 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -14.857 8.877 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.763 9.752 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.602 10.303 8.031 1.00 0.00 H new ATOM 501 N GLU A 31 -11.681 10.280 5.070 1.00 0.00 N ATOM 502 CA GLU A 31 -10.610 9.788 4.203 1.00 0.00 C ATOM 503 C GLU A 31 -9.404 9.286 4.994 1.00 0.00 C ATOM 504 O GLU A 31 -8.504 8.668 4.426 1.00 0.00 O ATOM 505 CB GLU A 31 -10.183 10.905 3.239 1.00 0.00 C ATOM 506 CG GLU A 31 -8.982 10.459 2.401 1.00 0.00 C ATOM 507 CD GLU A 31 -8.603 11.529 1.375 1.00 0.00 C ATOM 508 OE1 GLU A 31 -9.244 12.570 1.353 1.00 0.00 O ATOM 509 OE2 GLU A 31 -7.675 11.291 0.621 1.00 0.00 O ATOM 0 H GLU A 31 -11.917 11.261 4.921 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.999 8.937 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.014 11.166 2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.928 11.802 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.132 10.259 3.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.217 9.526 1.889 1.00 0.00 H new ATOM 516 N SER A 32 -9.382 9.546 6.295 1.00 0.00 N ATOM 517 CA SER A 32 -8.266 9.110 7.131 1.00 0.00 C ATOM 518 C SER A 32 -7.829 7.686 6.772 1.00 0.00 C ATOM 519 O SER A 32 -6.653 7.347 6.864 1.00 0.00 O ATOM 520 CB SER A 32 -8.679 9.157 8.603 1.00 0.00 C ATOM 521 OG SER A 32 -9.660 8.158 8.848 1.00 0.00 O ATOM 0 H SER A 32 -10.115 10.051 6.792 1.00 0.00 H new ATOM 0 HA SER A 32 -7.427 9.783 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.811 8.995 9.242 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.076 10.141 8.850 1.00 0.00 H new ATOM 0 HG SER A 32 -9.925 8.184 9.791 1.00 0.00 H new ATOM 527 N THR A 33 -8.784 6.859 6.371 1.00 0.00 N ATOM 528 CA THR A 33 -8.488 5.476 6.002 1.00 0.00 C ATOM 529 C THR A 33 -7.676 5.380 4.700 1.00 0.00 C ATOM 530 O THR A 33 -6.627 4.737 4.659 1.00 0.00 O ATOM 531 CB THR A 33 -9.796 4.694 5.844 1.00 0.00 C ATOM 532 OG1 THR A 33 -10.572 5.276 4.804 1.00 0.00 O ATOM 533 CG2 THR A 33 -10.584 4.736 7.155 1.00 0.00 C ATOM 0 H THR A 33 -9.768 7.117 6.292 1.00 0.00 H new ATOM 0 HA THR A 33 -7.883 5.048 6.801 1.00 0.00 H new ATOM 0 HB THR A 33 -9.570 3.658 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.408 4.776 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.514 4.179 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.990 4.288 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.811 5.771 7.410 1.00 0.00 H new ATOM 541 N TYR A 34 -8.199 5.992 3.633 1.00 0.00 N ATOM 542 CA TYR A 34 -7.558 5.944 2.313 1.00 0.00 C ATOM 543 C TYR A 34 -6.723 7.192 1.995 1.00 0.00 C ATOM 544 O TYR A 34 -6.318 7.379 0.847 1.00 0.00 O ATOM 545 CB TYR A 34 -8.601 5.683 1.211 1.00 0.00 C ATOM 546 CG TYR A 34 -9.416 6.922 0.902 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.577 7.200 1.635 1.00 0.00 C ATOM 548 CD2 TYR A 34 -9.027 7.776 -0.140 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.344 8.332 1.331 1.00 0.00 C ATOM 550 CE2 TYR A 34 -9.795 8.905 -0.445 1.00 0.00 C ATOM 551 CZ TYR A 34 -10.953 9.184 0.291 1.00 0.00 C ATOM 552 OH TYR A 34 -11.711 10.298 -0.009 1.00 0.00 O ATOM 0 H TYR A 34 -9.067 6.528 3.657 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.856 5.111 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.096 5.345 0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.267 4.879 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.881 6.541 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.134 7.562 -0.708 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.237 8.548 1.899 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.495 9.561 -1.248 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.153 10.621 0.804 1.00 0.00 H new ATOM 562 N GLN A 35 -6.511 8.061 2.991 1.00 0.00 N ATOM 563 CA GLN A 35 -5.762 9.313 2.783 1.00 0.00 C ATOM 564 C GLN A 35 -4.678 9.194 1.719 1.00 0.00 C ATOM 565 O GLN A 35 -4.388 10.172 1.030 1.00 0.00 O ATOM 566 CB GLN A 35 -5.107 9.781 4.071 1.00 0.00 C ATOM 567 CG GLN A 35 -4.200 8.683 4.638 1.00 0.00 C ATOM 568 CD GLN A 35 -4.456 8.530 6.128 1.00 0.00 C ATOM 569 OE1 GLN A 35 -5.109 9.465 6.762 1.00 0.00 O flip ATOM 570 NE2 GLN A 35 -4.048 7.538 6.732 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.844 7.924 3.945 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.503 10.037 2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.524 10.683 3.883 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.872 10.043 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.391 7.739 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -3.154 8.934 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.538 6.810 6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.220 7.444 7.733 1.00 0.00 H new ATOM 579 N THR A 36 -4.084 8.012 1.566 1.00 0.00 N ATOM 580 CA THR A 36 -3.057 7.854 0.550 1.00 0.00 C ATOM 581 C THR A 36 -3.669 8.211 -0.797 1.00 0.00 C ATOM 582 O THR A 36 -4.523 7.492 -1.315 1.00 0.00 O ATOM 583 CB THR A 36 -2.543 6.409 0.530 1.00 0.00 C ATOM 584 OG1 THR A 36 -2.132 6.039 1.839 1.00 0.00 O ATOM 585 CG2 THR A 36 -1.356 6.295 -0.430 1.00 0.00 C ATOM 0 H THR A 36 -4.290 7.177 2.115 1.00 0.00 H new ATOM 0 HA THR A 36 -2.212 8.508 0.767 1.00 0.00 H new ATOM 0 HB THR A 36 -3.340 5.746 0.194 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.805 5.115 1.830 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.994 5.267 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.671 6.579 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.556 6.958 -0.100 1.00 0.00 H new ATOM 593 N MET A 37 -3.250 9.353 -1.333 1.00 0.00 N ATOM 594 CA MET A 37 -3.790 9.843 -2.599 1.00 0.00 C ATOM 595 C MET A 37 -3.602 8.820 -3.720 1.00 0.00 C ATOM 596 O MET A 37 -2.479 8.562 -4.154 1.00 0.00 O ATOM 597 CB MET A 37 -3.098 11.157 -2.987 1.00 0.00 C ATOM 598 CG MET A 37 -2.632 11.897 -1.727 1.00 0.00 C ATOM 599 SD MET A 37 -2.309 13.632 -2.133 1.00 0.00 S ATOM 600 CE MET A 37 -0.587 13.432 -2.653 1.00 0.00 C ATOM 0 H MET A 37 -2.541 9.955 -0.914 1.00 0.00 H new ATOM 0 HA MET A 37 -4.858 10.011 -2.464 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.245 10.951 -3.634 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.784 11.785 -3.555 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.393 11.830 -0.950 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.730 11.431 -1.331 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.182 14.399 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.001 13.033 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.539 12.743 -3.496 1.00 0.00 H new ATOM 610 N PRO A 38 -4.683 8.255 -4.204 1.00 0.00 N ATOM 611 CA PRO A 38 -4.665 7.266 -5.306 1.00 0.00 C ATOM 612 C PRO A 38 -4.936 7.918 -6.659 1.00 0.00 C ATOM 613 O PRO A 38 -5.957 8.583 -6.841 1.00 0.00 O ATOM 614 CB PRO A 38 -5.814 6.349 -4.917 1.00 0.00 C ATOM 615 CG PRO A 38 -6.831 7.269 -4.317 1.00 0.00 C ATOM 616 CD PRO A 38 -6.064 8.478 -3.748 1.00 0.00 C ATOM 0 HA PRO A 38 -3.704 6.766 -5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.215 5.823 -5.784 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.494 5.590 -4.204 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.553 7.589 -5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.392 6.764 -3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.464 9.420 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.126 8.517 -2.660 1.00 0.00 H new ATOM 624 N ARG A 39 -4.033 7.715 -7.603 1.00 0.00 N ATOM 625 CA ARG A 39 -4.208 8.280 -8.938 1.00 0.00 C ATOM 626 C ARG A 39 -5.438 7.672 -9.586 1.00 0.00 C ATOM 627 O ARG A 39 -6.169 8.339 -10.319 1.00 0.00 O ATOM 628 CB ARG A 39 -3.008 7.961 -9.823 1.00 0.00 C ATOM 629 CG ARG A 39 -1.712 8.375 -9.118 1.00 0.00 C ATOM 630 CD ARG A 39 -0.523 8.151 -10.057 1.00 0.00 C ATOM 631 NE ARG A 39 -0.575 9.090 -11.175 1.00 0.00 N ATOM 632 CZ ARG A 39 -0.214 10.365 -11.031 1.00 0.00 C ATOM 633 NH1 ARG A 39 0.201 10.804 -9.872 1.00 0.00 N ATOM 634 NH2 ARG A 39 -0.276 11.177 -12.050 1.00 0.00 N ATOM 0 H ARG A 39 -3.180 7.171 -7.477 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.312 9.360 -8.837 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.985 6.895 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.098 8.485 -10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.764 9.424 -8.825 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.582 7.795 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.411 8.279 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.535 7.128 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.895 8.762 -12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.249 10.170 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.477 11.780 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.600 10.836 -12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.000 12.153 -11.942 1.00 0.00 H new ATOM 648 N ARG A 40 -5.639 6.383 -9.316 1.00 0.00 N ATOM 649 CA ARG A 40 -6.762 5.658 -9.883 1.00 0.00 C ATOM 650 C ARG A 40 -8.078 6.258 -9.418 1.00 0.00 C ATOM 651 O ARG A 40 -8.535 6.009 -8.301 1.00 0.00 O ATOM 652 CB ARG A 40 -6.692 4.184 -9.473 1.00 0.00 C ATOM 653 CG ARG A 40 -5.431 3.547 -10.066 1.00 0.00 C ATOM 654 CD ARG A 40 -5.413 2.051 -9.748 1.00 0.00 C ATOM 655 NE ARG A 40 -4.127 1.468 -10.124 1.00 0.00 N ATOM 656 CZ ARG A 40 -3.830 1.200 -11.393 1.00 0.00 C ATOM 657 NH1 ARG A 40 -4.690 1.462 -12.341 1.00 0.00 N ATOM 658 NH2 ARG A 40 -2.674 0.674 -11.693 1.00 0.00 N ATOM 0 H ARG A 40 -5.038 5.825 -8.709 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.709 5.735 -10.969 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.679 4.098 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.578 3.656 -9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.407 3.700 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.542 4.027 -9.656 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.593 1.896 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.218 1.549 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.442 1.262 -9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.594 1.874 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.457 1.255 -13.312 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.000 0.469 -10.955 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.444 0.468 -12.665 1.00 0.00 H new ATOM 672 N GLY A 41 -8.680 7.043 -10.298 1.00 0.00 N ATOM 673 CA GLY A 41 -9.960 7.682 -10.001 1.00 0.00 C ATOM 674 C GLY A 41 -9.843 8.666 -8.840 1.00 0.00 C ATOM 675 O GLY A 41 -10.098 8.313 -7.688 1.00 0.00 O ATOM 0 H GLY A 41 -8.306 7.255 -11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.320 8.205 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.700 6.919 -9.759 1.00 0.00 H new ATOM 679 N MET A 42 -9.460 9.901 -9.158 1.00 0.00 N ATOM 680 CA MET A 42 -9.313 10.945 -8.144 1.00 0.00 C ATOM 681 C MET A 42 -10.612 11.122 -7.356 1.00 0.00 C ATOM 682 O MET A 42 -11.659 10.596 -7.739 1.00 0.00 O ATOM 683 CB MET A 42 -8.947 12.270 -8.819 1.00 0.00 C ATOM 684 CG MET A 42 -7.593 12.130 -9.522 1.00 0.00 C ATOM 685 SD MET A 42 -7.101 13.730 -10.214 1.00 0.00 S ATOM 686 CE MET A 42 -8.487 13.930 -11.361 1.00 0.00 C ATOM 0 H MET A 42 -9.246 10.204 -10.108 1.00 0.00 H new ATOM 0 HA MET A 42 -8.522 10.648 -7.455 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.716 12.547 -9.540 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.903 13.068 -8.078 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.840 11.780 -8.816 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.658 11.384 -10.314 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.173 14.539 -12.209 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.809 12.951 -11.717 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.315 14.420 -10.849 1.00 0.00 H new ATOM 696 N GLU A 43 -10.539 11.869 -6.254 1.00 0.00 N ATOM 697 CA GLU A 43 -11.718 12.107 -5.423 1.00 0.00 C ATOM 698 C GLU A 43 -12.713 13.004 -6.161 1.00 0.00 C ATOM 699 O GLU A 43 -12.340 14.055 -6.684 1.00 0.00 O ATOM 700 CB GLU A 43 -11.303 12.775 -4.106 1.00 0.00 C ATOM 701 CG GLU A 43 -11.191 11.719 -3.002 1.00 0.00 C ATOM 702 CD GLU A 43 -10.480 12.304 -1.785 1.00 0.00 C ATOM 703 OE1 GLU A 43 -11.134 12.977 -1.004 1.00 0.00 O ATOM 704 OE2 GLU A 43 -9.290 12.072 -1.650 1.00 0.00 O ATOM 0 H GLU A 43 -9.685 12.315 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.193 11.150 -5.209 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.348 13.286 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.035 13.532 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.184 11.371 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.642 10.853 -3.371 1.00 0.00 H new ATOM 711 N PRO A 44 -13.965 12.610 -6.217 1.00 0.00 N ATOM 712 CA PRO A 44 -15.025 13.400 -6.914 1.00 0.00 C ATOM 713 C PRO A 44 -15.135 14.823 -6.373 1.00 0.00 C ATOM 714 O PRO A 44 -15.185 15.781 -7.141 1.00 0.00 O ATOM 715 CB PRO A 44 -16.318 12.619 -6.646 1.00 0.00 C ATOM 716 CG PRO A 44 -15.889 11.243 -6.254 1.00 0.00 C ATOM 717 CD PRO A 44 -14.503 11.374 -5.627 1.00 0.00 C ATOM 0 HA PRO A 44 -14.806 13.512 -7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.901 13.088 -5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.950 12.593 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.593 10.805 -5.547 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.860 10.585 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.560 11.442 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.876 10.514 -5.860 1.00 0.00 H new ATOM 725 N HIS A 45 -15.169 14.952 -5.048 1.00 0.00 N ATOM 726 CA HIS A 45 -15.274 16.264 -4.414 1.00 0.00 C ATOM 727 C HIS A 45 -14.188 17.200 -4.939 1.00 0.00 C ATOM 728 O HIS A 45 -14.447 18.369 -5.231 1.00 0.00 O ATOM 729 CB HIS A 45 -15.140 16.115 -2.898 1.00 0.00 C ATOM 730 CG HIS A 45 -16.236 15.218 -2.398 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.103 13.839 -2.367 1.00 0.00 N ATOM 732 CD2 HIS A 45 -17.497 15.484 -1.931 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.255 13.331 -1.896 1.00 0.00 C ATOM 734 NE2 HIS A 45 -18.140 14.290 -1.615 1.00 0.00 N ATOM 0 H HIS A 45 -15.126 14.169 -4.396 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.248 16.692 -4.653 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -14.166 15.697 -2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -15.203 17.091 -2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -17.926 16.469 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.442 12.276 -1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -19.084 14.173 -1.248 1.00 0.00 H new ATOM 742 N MET A 46 -12.975 16.669 -5.061 1.00 0.00 N ATOM 743 CA MET A 46 -11.846 17.448 -5.559 1.00 0.00 C ATOM 744 C MET A 46 -12.065 17.857 -7.015 1.00 0.00 C ATOM 745 O MET A 46 -11.601 18.912 -7.449 1.00 0.00 O ATOM 746 CB MET A 46 -10.558 16.625 -5.460 1.00 0.00 C ATOM 747 CG MET A 46 -10.235 16.330 -3.993 1.00 0.00 C ATOM 748 SD MET A 46 -8.663 15.436 -3.900 1.00 0.00 S ATOM 749 CE MET A 46 -8.646 15.171 -2.112 1.00 0.00 C ATOM 0 H MET A 46 -12.749 15.704 -4.822 1.00 0.00 H new ATOM 0 HA MET A 46 -11.761 18.346 -4.948 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.670 15.691 -6.011 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.733 17.169 -5.920 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.173 17.260 -3.427 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.032 15.737 -3.545 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.083 14.266 -1.884 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.176 16.024 -1.622 1.00 0.00 H new ATOM 0 HE3 MET A 46 -9.669 15.063 -1.750 1.00 0.00 H new ATOM 759 N SER A 47 -12.750 16.998 -7.769 1.00 0.00 N ATOM 760 CA SER A 47 -13.002 17.255 -9.187 1.00 0.00 C ATOM 761 C SER A 47 -13.675 18.608 -9.412 1.00 0.00 C ATOM 762 O SER A 47 -13.295 19.347 -10.322 1.00 0.00 O ATOM 763 CB SER A 47 -13.883 16.148 -9.769 1.00 0.00 C ATOM 764 OG SER A 47 -13.335 14.882 -9.427 1.00 0.00 O ATOM 0 H SER A 47 -13.139 16.121 -7.423 1.00 0.00 H new ATOM 0 HA SER A 47 -12.036 17.271 -9.692 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.898 16.234 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.946 16.249 -10.852 1.00 0.00 H new ATOM 0 HG SER A 47 -13.801 14.178 -9.925 1.00 0.00 H new ATOM 770 N GLU A 48 -14.671 18.934 -8.589 1.00 0.00 N ATOM 771 CA GLU A 48 -15.369 20.211 -8.737 1.00 0.00 C ATOM 772 C GLU A 48 -14.433 21.372 -8.425 1.00 0.00 C ATOM 773 O GLU A 48 -14.466 22.403 -9.099 1.00 0.00 O ATOM 774 CB GLU A 48 -16.590 20.270 -7.814 1.00 0.00 C ATOM 775 CG GLU A 48 -17.644 19.259 -8.285 1.00 0.00 C ATOM 776 CD GLU A 48 -17.330 17.865 -7.742 1.00 0.00 C ATOM 777 OE1 GLU A 48 -16.844 17.777 -6.627 1.00 0.00 O ATOM 778 OE2 GLU A 48 -17.581 16.905 -8.452 1.00 0.00 O ATOM 0 H GLU A 48 -15.008 18.345 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.704 20.293 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -16.294 20.050 -6.788 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.011 21.276 -7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -18.632 19.572 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.671 19.234 -9.374 1.00 0.00 H new ATOM 785 N CYS A 49 -13.590 21.195 -7.409 1.00 0.00 N ATOM 786 CA CYS A 49 -12.642 22.236 -7.031 1.00 0.00 C ATOM 787 C CYS A 49 -11.614 22.439 -8.143 1.00 0.00 C ATOM 788 O CYS A 49 -11.266 23.570 -8.477 1.00 0.00 O ATOM 789 CB CYS A 49 -11.925 21.852 -5.729 1.00 0.00 C ATOM 790 SG CYS A 49 -12.997 22.196 -4.311 1.00 0.00 S ATOM 0 H CYS A 49 -13.545 20.350 -6.840 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.189 23.166 -6.876 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.660 20.795 -5.748 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.995 22.412 -5.637 1.00 0.00 H new ATOM 795 N CYS A 50 -11.139 21.328 -8.710 1.00 0.00 N ATOM 796 CA CYS A 50 -10.144 21.365 -9.786 1.00 0.00 C ATOM 797 C CYS A 50 -10.587 22.271 -10.929 1.00 0.00 C ATOM 798 O CYS A 50 -9.807 23.086 -11.424 1.00 0.00 O ATOM 799 CB CYS A 50 -9.924 19.955 -10.334 1.00 0.00 C ATOM 800 SG CYS A 50 -8.536 19.956 -11.496 1.00 0.00 S ATOM 0 H CYS A 50 -11.428 20.388 -8.441 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.219 21.761 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.724 19.264 -9.515 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.827 19.604 -10.833 1.00 0.00 H new ATOM 805 N GLU A 51 -11.834 22.107 -11.356 1.00 0.00 N ATOM 806 CA GLU A 51 -12.361 22.902 -12.457 1.00 0.00 C ATOM 807 C GLU A 51 -12.287 24.393 -12.141 1.00 0.00 C ATOM 808 O GLU A 51 -12.069 25.211 -13.035 1.00 0.00 O ATOM 809 CB GLU A 51 -13.812 22.504 -12.745 1.00 0.00 C ATOM 810 CG GLU A 51 -14.284 23.180 -14.040 1.00 0.00 C ATOM 811 CD GLU A 51 -13.505 22.639 -15.242 1.00 0.00 C ATOM 812 OE1 GLU A 51 -13.117 21.482 -15.210 1.00 0.00 O ATOM 813 OE2 GLU A 51 -13.301 23.397 -16.177 1.00 0.00 O ATOM 0 H GLU A 51 -12.493 21.437 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.750 22.707 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.891 21.421 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.453 22.800 -11.914 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.350 23.004 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.146 24.259 -13.965 1.00 0.00 H new ATOM 820 N GLN A 52 -12.482 24.742 -10.871 1.00 0.00 N ATOM 821 CA GLN A 52 -12.445 26.143 -10.462 1.00 0.00 C ATOM 822 C GLN A 52 -11.106 26.789 -10.827 1.00 0.00 C ATOM 823 O GLN A 52 -11.072 27.776 -11.561 1.00 0.00 O ATOM 824 CB GLN A 52 -12.690 26.259 -8.958 1.00 0.00 C ATOM 825 CG GLN A 52 -13.668 27.406 -8.700 1.00 0.00 C ATOM 826 CD GLN A 52 -15.103 26.927 -8.899 1.00 0.00 C ATOM 827 OE1 GLN A 52 -15.469 25.851 -8.428 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.941 27.668 -9.569 1.00 0.00 N ATOM 0 H GLN A 52 -12.665 24.082 -10.115 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.235 26.672 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.095 25.325 -8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.750 26.441 -8.436 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.540 27.782 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.456 28.234 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -15.635 28.560 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.903 27.356 -9.704 1.00 0.00 H new ATOM 837 N LEU A 53 -10.005 26.221 -10.324 1.00 0.00 N ATOM 838 CA LEU A 53 -8.673 26.754 -10.630 1.00 0.00 C ATOM 839 C LEU A 53 -8.499 26.774 -12.129 1.00 0.00 C ATOM 840 O LEU A 53 -8.144 27.782 -12.737 1.00 0.00 O ATOM 841 CB LEU A 53 -7.573 25.844 -10.066 1.00 0.00 C ATOM 842 CG LEU A 53 -7.854 25.447 -8.612 1.00 0.00 C ATOM 843 CD1 LEU A 53 -8.693 26.516 -7.899 1.00 0.00 C ATOM 844 CD2 LEU A 53 -8.598 24.109 -8.615 1.00 0.00 C ATOM 0 H LEU A 53 -10.008 25.405 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.593 27.748 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.494 24.946 -10.679 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.612 26.356 -10.124 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.911 25.356 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.877 26.208 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.155 27.464 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.644 26.637 -8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.808 23.807 -7.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.535 24.215 -9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.981 23.351 -9.097 1.00 0.00 H new ATOM 856 N GLU A 54 -8.776 25.615 -12.691 1.00 0.00 N ATOM 857 CA GLU A 54 -8.695 25.382 -14.111 1.00 0.00 C ATOM 858 C GLU A 54 -9.489 26.435 -14.890 1.00 0.00 C ATOM 859 O GLU A 54 -9.129 26.785 -16.014 1.00 0.00 O ATOM 860 CB GLU A 54 -9.211 23.967 -14.356 1.00 0.00 C ATOM 861 CG GLU A 54 -9.468 23.729 -15.849 1.00 0.00 C ATOM 862 CD GLU A 54 -10.104 22.354 -16.072 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.225 21.607 -15.113 1.00 0.00 O ATOM 864 OE2 GLU A 54 -10.468 22.072 -17.201 1.00 0.00 O ATOM 0 H GLU A 54 -9.069 24.795 -12.159 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.668 25.470 -14.467 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.485 23.242 -13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.132 23.809 -13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.124 24.507 -16.240 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.530 23.796 -16.401 1.00 0.00 H new ATOM 871 N GLY A 55 -10.555 26.947 -14.276 1.00 0.00 N ATOM 872 CA GLY A 55 -11.380 27.972 -14.913 1.00 0.00 C ATOM 873 C GLY A 55 -10.956 29.372 -14.464 1.00 0.00 C ATOM 874 O GLY A 55 -11.393 30.373 -15.032 1.00 0.00 O ATOM 0 H GLY A 55 -10.866 26.671 -13.345 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.294 27.892 -15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.428 27.808 -14.663 1.00 0.00 H new ATOM 878 N MET A 56 -10.106 29.427 -13.440 1.00 0.00 N ATOM 879 CA MET A 56 -9.620 30.699 -12.905 1.00 0.00 C ATOM 880 C MET A 56 -8.397 31.185 -13.682 1.00 0.00 C ATOM 881 O MET A 56 -7.507 30.395 -14.005 1.00 0.00 O ATOM 882 CB MET A 56 -9.253 30.525 -11.425 1.00 0.00 C ATOM 883 CG MET A 56 -8.724 31.843 -10.854 1.00 0.00 C ATOM 884 SD MET A 56 -10.075 33.041 -10.744 1.00 0.00 S ATOM 885 CE MET A 56 -9.762 33.596 -9.051 1.00 0.00 C ATOM 0 H MET A 56 -9.739 28.604 -12.963 1.00 0.00 H new ATOM 0 HA MET A 56 -10.411 31.442 -13.006 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.128 30.201 -10.861 1.00 0.00 H new ATOM 0 HB3 MET A 56 -8.499 29.745 -11.319 1.00 0.00 H new ATOM 0 HG2 MET A 56 -8.291 31.676 -9.868 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.929 32.233 -11.489 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.143 34.609 -8.924 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.265 32.929 -8.351 1.00 0.00 H new ATOM 0 HE3 MET A 56 -8.690 33.584 -8.857 1.00 0.00 H new ATOM 895 N ASP A 57 -8.353 32.490 -13.967 1.00 0.00 N ATOM 896 CA ASP A 57 -7.223 33.068 -14.695 1.00 0.00 C ATOM 897 C ASP A 57 -5.912 32.700 -14.004 1.00 0.00 C ATOM 898 O ASP A 57 -5.872 32.549 -12.785 1.00 0.00 O ATOM 899 CB ASP A 57 -7.362 34.593 -14.763 1.00 0.00 C ATOM 900 CG ASP A 57 -8.579 34.990 -15.605 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.182 34.114 -16.206 1.00 0.00 O ATOM 902 OD2 ASP A 57 -8.891 36.167 -15.632 1.00 0.00 O ATOM 0 H ASP A 57 -9.079 33.158 -13.708 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.218 32.666 -15.708 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.462 34.999 -13.756 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.459 35.026 -15.193 1.00 0.00 H new ATOM 907 N GLU A 58 -4.849 32.540 -14.788 1.00 0.00 N ATOM 908 CA GLU A 58 -3.549 32.168 -14.231 1.00 0.00 C ATOM 909 C GLU A 58 -3.114 33.101 -13.103 1.00 0.00 C ATOM 910 O GLU A 58 -2.871 32.656 -11.981 1.00 0.00 O ATOM 911 CB GLU A 58 -2.486 32.195 -15.332 1.00 0.00 C ATOM 912 CG GLU A 58 -1.097 32.167 -14.685 1.00 0.00 C ATOM 913 CD GLU A 58 0.003 32.233 -15.745 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.293 32.004 -16.909 1.00 0.00 O ATOM 915 OE2 GLU A 58 1.129 32.522 -15.376 1.00 0.00 O ATOM 0 H GLU A 58 -4.860 32.660 -15.801 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.652 31.164 -13.820 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.610 31.339 -15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.599 33.091 -15.943 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.995 33.007 -13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.985 31.257 -14.096 1.00 0.00 H new ATOM 922 N SER A 59 -3.003 34.390 -13.408 1.00 0.00 N ATOM 923 CA SER A 59 -2.579 35.364 -12.408 1.00 0.00 C ATOM 924 C SER A 59 -3.503 35.326 -11.201 1.00 0.00 C ATOM 925 O SER A 59 -3.065 35.465 -10.060 1.00 0.00 O ATOM 926 CB SER A 59 -2.580 36.769 -13.014 1.00 0.00 C ATOM 927 OG SER A 59 -1.744 36.785 -14.163 1.00 0.00 O ATOM 0 H SER A 59 -3.198 34.782 -14.329 1.00 0.00 H new ATOM 0 HA SER A 59 -1.569 35.111 -12.085 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.595 37.060 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.225 37.494 -12.281 1.00 0.00 H new ATOM 0 HG SER A 59 -1.744 37.683 -14.555 1.00 0.00 H new ATOM 933 N CYS A 60 -4.784 35.135 -11.472 1.00 0.00 N ATOM 934 CA CYS A 60 -5.788 35.078 -10.414 1.00 0.00 C ATOM 935 C CYS A 60 -5.711 33.755 -9.660 1.00 0.00 C ATOM 936 O CYS A 60 -6.105 33.667 -8.496 1.00 0.00 O ATOM 937 CB CYS A 60 -7.184 35.245 -11.015 1.00 0.00 C ATOM 938 SG CYS A 60 -7.227 36.744 -12.028 1.00 0.00 S ATOM 0 H CYS A 60 -5.156 35.016 -12.414 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.591 35.888 -9.712 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.437 34.376 -11.622 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.929 35.308 -10.221 1.00 0.00 H new ATOM 943 N ARG A 61 -5.222 32.724 -10.344 1.00 0.00 N ATOM 944 CA ARG A 61 -5.119 31.398 -9.749 1.00 0.00 C ATOM 945 C ARG A 61 -4.119 31.378 -8.597 1.00 0.00 C ATOM 946 O ARG A 61 -4.375 30.761 -7.565 1.00 0.00 O ATOM 947 CB ARG A 61 -4.692 30.385 -10.817 1.00 0.00 C ATOM 948 CG ARG A 61 -4.823 28.962 -10.265 1.00 0.00 C ATOM 949 CD ARG A 61 -4.301 27.962 -11.300 1.00 0.00 C ATOM 950 NE ARG A 61 -4.993 28.150 -12.574 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.463 27.122 -13.279 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.321 25.898 -12.848 1.00 0.00 N ATOM 953 NH2 ARG A 61 -6.070 27.345 -14.413 1.00 0.00 N ATOM 0 H ARG A 61 -4.892 32.782 -11.307 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.098 31.130 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.311 30.498 -11.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.662 30.574 -11.119 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.260 28.868 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.865 28.747 -10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.228 28.095 -11.437 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.452 26.944 -10.942 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.120 29.096 -12.934 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.846 25.721 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.685 25.119 -13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.181 28.300 -14.753 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.433 26.564 -14.959 1.00 0.00 H new ATOM 967 N CYS A 62 -2.981 32.049 -8.773 1.00 0.00 N ATOM 968 CA CYS A 62 -1.964 32.077 -7.724 1.00 0.00 C ATOM 969 C CYS A 62 -2.572 32.582 -6.417 1.00 0.00 C ATOM 970 O CYS A 62 -2.572 31.879 -5.405 1.00 0.00 O ATOM 971 CB CYS A 62 -0.796 32.988 -8.134 1.00 0.00 C ATOM 972 SG CYS A 62 -0.666 33.063 -9.940 1.00 0.00 S ATOM 0 H CYS A 62 -2.743 32.571 -9.616 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.590 31.064 -7.580 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.947 33.989 -7.731 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.135 32.611 -7.710 1.00 0.00 H new ATOM 977 N GLU A 63 -3.099 33.802 -6.458 1.00 0.00 N ATOM 978 CA GLU A 63 -3.728 34.412 -5.290 1.00 0.00 C ATOM 979 C GLU A 63 -4.911 33.580 -4.797 1.00 0.00 C ATOM 980 O GLU A 63 -5.147 33.472 -3.594 1.00 0.00 O ATOM 981 CB GLU A 63 -4.207 35.822 -5.648 1.00 0.00 C ATOM 982 CG GLU A 63 -4.765 36.523 -4.401 1.00 0.00 C ATOM 983 CD GLU A 63 -5.322 37.903 -4.763 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.357 38.227 -5.940 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.711 38.617 -3.852 1.00 0.00 O ATOM 0 H GLU A 63 -3.103 34.390 -7.291 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.989 34.459 -4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.381 36.401 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.976 35.768 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.551 35.913 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.979 36.627 -3.653 1.00 0.00 H new ATOM 992 N GLY A 64 -5.666 33.024 -5.743 1.00 0.00 N ATOM 993 CA GLY A 64 -6.850 32.234 -5.415 1.00 0.00 C ATOM 994 C GLY A 64 -6.541 31.060 -4.488 1.00 0.00 C ATOM 995 O GLY A 64 -7.210 30.879 -3.471 1.00 0.00 O ATOM 0 H GLY A 64 -5.478 33.106 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.592 32.878 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.296 31.857 -6.335 1.00 0.00 H new ATOM 999 N LEU A 65 -5.545 30.253 -4.847 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.191 29.091 -4.033 1.00 0.00 C ATOM 1001 C LEU A 65 -4.901 29.485 -2.588 1.00 0.00 C ATOM 1002 O LEU A 65 -5.521 28.962 -1.660 1.00 0.00 O ATOM 1003 CB LEU A 65 -3.972 28.379 -4.628 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.296 27.893 -6.046 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.135 27.046 -6.575 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.575 27.048 -6.026 1.00 0.00 C ATOM 0 H LEU A 65 -4.975 30.379 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.046 28.415 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.119 29.057 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.690 27.534 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.444 28.756 -6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.366 26.701 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.226 27.647 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.985 26.186 -5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.801 26.705 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.432 26.186 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.403 27.651 -5.654 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.960 30.407 -2.399 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.607 30.856 -1.055 1.00 0.00 C ATOM 1020 C ARG A 66 -4.827 31.432 -0.340 1.00 0.00 C ATOM 1021 O ARG A 66 -5.086 31.117 0.823 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.502 31.917 -1.124 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.157 31.250 -1.443 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.965 31.154 -2.959 1.00 0.00 C ATOM 1025 NE ARG A 66 0.332 30.557 -3.265 1.00 0.00 N ATOM 1026 CZ ARG A 66 0.794 30.502 -4.513 1.00 0.00 C ATOM 1027 NH1 ARG A 66 0.087 30.983 -5.499 1.00 0.00 N ATOM 1028 NH2 ARG A 66 1.959 29.964 -4.751 1.00 0.00 N ATOM 0 H ARG A 66 -3.434 30.853 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.245 29.995 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.742 32.656 -1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.438 32.450 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.343 31.825 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.122 30.255 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.762 30.554 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.031 32.146 -3.405 1.00 0.00 H new ATOM 0 HE ARG A 66 0.896 30.174 -2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.824 31.404 -5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.445 30.938 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.513 29.587 -3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.315 29.921 -5.706 1.00 0.00 H new ATOM 1042 N MET A 67 -5.569 32.280 -1.048 1.00 0.00 N ATOM 1043 CA MET A 67 -6.761 32.907 -0.485 1.00 0.00 C ATOM 1044 C MET A 67 -7.803 31.873 -0.064 1.00 0.00 C ATOM 1045 O MET A 67 -8.321 31.920 1.053 1.00 0.00 O ATOM 1046 CB MET A 67 -7.378 33.859 -1.517 1.00 0.00 C ATOM 1047 CG MET A 67 -8.885 33.984 -1.269 1.00 0.00 C ATOM 1048 SD MET A 67 -9.554 35.346 -2.257 1.00 0.00 S ATOM 1049 CE MET A 67 -8.742 36.702 -1.373 1.00 0.00 C ATOM 0 H MET A 67 -5.366 32.548 -2.011 1.00 0.00 H new ATOM 0 HA MET A 67 -6.457 33.459 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.906 34.839 -1.449 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.195 33.486 -2.525 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.385 33.052 -1.531 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.076 34.162 -0.211 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.417 37.556 -1.317 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.484 36.377 -0.365 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.835 36.991 -1.904 1.00 0.00 H new ATOM 1059 N MET A 68 -8.124 30.960 -0.976 1.00 0.00 N ATOM 1060 CA MET A 68 -9.130 29.942 -0.701 1.00 0.00 C ATOM 1061 C MET A 68 -8.760 29.104 0.515 1.00 0.00 C ATOM 1062 O MET A 68 -9.610 28.831 1.360 1.00 0.00 O ATOM 1063 CB MET A 68 -9.283 29.017 -1.909 1.00 0.00 C ATOM 1064 CG MET A 68 -10.116 29.677 -3.018 1.00 0.00 C ATOM 1065 SD MET A 68 -10.455 31.409 -2.616 1.00 0.00 S ATOM 1066 CE MET A 68 -12.148 31.181 -2.017 1.00 0.00 C ATOM 0 H MET A 68 -7.705 30.905 -1.904 1.00 0.00 H new ATOM 0 HA MET A 68 -10.069 30.457 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.298 28.757 -2.297 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.759 28.087 -1.599 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.582 29.616 -3.966 1.00 0.00 H new ATOM 0 HG3 MET A 68 -11.054 29.137 -3.145 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.382 31.954 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.843 31.251 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.240 30.200 -1.550 1.00 0.00 H new ATOM 1076 N MET A 69 -7.496 28.693 0.597 1.00 0.00 N ATOM 1077 CA MET A 69 -7.040 27.871 1.717 1.00 0.00 C ATOM 1078 C MET A 69 -7.480 28.477 3.047 1.00 0.00 C ATOM 1079 O MET A 69 -8.166 27.830 3.838 1.00 0.00 O ATOM 1080 CB MET A 69 -5.513 27.751 1.685 1.00 0.00 C ATOM 1081 CG MET A 69 -5.048 26.767 2.762 1.00 0.00 C ATOM 1082 SD MET A 69 -3.238 26.740 2.815 1.00 0.00 S ATOM 1083 CE MET A 69 -3.004 28.349 3.610 1.00 0.00 C ATOM 0 H MET A 69 -6.776 28.913 -0.091 1.00 0.00 H new ATOM 0 HA MET A 69 -7.486 26.881 1.622 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.186 27.410 0.703 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.059 28.728 1.851 1.00 0.00 H new ATOM 0 HG2 MET A 69 -5.446 27.060 3.733 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.431 25.769 2.548 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.274 28.255 4.414 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.644 29.069 2.875 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.953 28.693 4.021 1.00 0.00 H new ATOM 1093 N ARG A 70 -7.086 29.723 3.279 1.00 0.00 N ATOM 1094 CA ARG A 70 -7.447 30.420 4.508 1.00 0.00 C ATOM 1095 C ARG A 70 -8.966 30.513 4.656 1.00 0.00 C ATOM 1096 O ARG A 70 -9.497 30.428 5.764 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.840 31.825 4.505 1.00 0.00 C ATOM 1098 CG ARG A 70 -7.092 32.501 5.856 1.00 0.00 C ATOM 1099 CD ARG A 70 -6.398 33.864 5.886 1.00 0.00 C ATOM 1100 NE ARG A 70 -7.045 34.781 4.953 1.00 0.00 N ATOM 1101 CZ ARG A 70 -6.562 36.002 4.732 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -5.489 36.407 5.359 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -7.162 36.797 3.890 1.00 0.00 N ATOM 0 H ARG A 70 -6.517 30.271 2.634 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.053 29.855 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.769 31.768 4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.279 32.419 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.163 32.623 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.717 31.873 6.664 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.433 34.276 6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.346 33.750 5.624 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.885 34.480 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.020 35.787 6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.121 37.343 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.001 36.483 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.793 37.732 3.720 1.00 0.00 H new ATOM 1117 N MET A 71 -9.655 30.700 3.530 1.00 0.00 N ATOM 1118 CA MET A 71 -11.105 30.818 3.534 1.00 0.00 C ATOM 1119 C MET A 71 -11.749 29.530 4.024 1.00 0.00 C ATOM 1120 O MET A 71 -12.795 29.554 4.671 1.00 0.00 O ATOM 1121 CB MET A 71 -11.604 31.145 2.122 1.00 0.00 C ATOM 1122 CG MET A 71 -13.050 31.644 2.185 1.00 0.00 C ATOM 1123 SD MET A 71 -13.084 33.312 2.892 1.00 0.00 S ATOM 1124 CE MET A 71 -14.878 33.541 2.854 1.00 0.00 C ATOM 0 H MET A 71 -9.228 30.772 2.606 1.00 0.00 H new ATOM 0 HA MET A 71 -11.384 31.624 4.213 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.967 31.904 1.668 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.543 30.259 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.487 31.652 1.186 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.653 30.968 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 71 -15.132 34.502 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 71 -15.226 33.519 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.359 32.740 3.416 1.00 0.00 H new ATOM 1134 N MET A 72 -11.124 28.402 3.696 1.00 0.00 N ATOM 1135 CA MET A 72 -11.661 27.111 4.096 1.00 0.00 C ATOM 1136 C MET A 72 -11.821 27.038 5.609 1.00 0.00 C ATOM 1137 O MET A 72 -12.927 26.860 6.123 1.00 0.00 O ATOM 1138 CB MET A 72 -10.734 25.979 3.643 1.00 0.00 C ATOM 1139 CG MET A 72 -10.535 26.043 2.129 1.00 0.00 C ATOM 1140 SD MET A 72 -9.851 24.471 1.543 1.00 0.00 S ATOM 1141 CE MET A 72 -11.304 23.447 1.879 1.00 0.00 C ATOM 0 H MET A 72 -10.257 28.358 3.161 1.00 0.00 H new ATOM 0 HA MET A 72 -12.636 26.998 3.622 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.772 26.061 4.149 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.160 25.015 3.922 1.00 0.00 H new ATOM 0 HG2 MET A 72 -11.485 26.245 1.635 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.863 26.862 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.216 22.503 1.341 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.371 23.250 2.949 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.202 23.970 1.550 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.702 27.173 6.314 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.705 27.117 7.769 1.00 0.00 C ATOM 1153 C GLN A 73 -11.588 28.214 8.355 1.00 0.00 C ATOM 1154 O GLN A 73 -12.309 27.992 9.325 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.276 27.265 8.300 1.00 0.00 C ATOM 1156 CG GLN A 73 -8.373 26.205 7.664 1.00 0.00 C ATOM 1157 CD GLN A 73 -9.037 24.837 7.740 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -9.218 24.290 8.828 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -9.425 24.256 6.640 1.00 0.00 N ATOM 0 H GLN A 73 -9.782 27.322 5.900 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.108 26.151 8.073 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.896 28.262 8.075 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.269 27.159 9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.173 26.463 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.412 26.180 8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.273 24.713 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.881 23.344 6.678 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.518 29.401 7.765 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.308 30.526 8.243 1.00 0.00 C ATOM 1170 C GLN A 74 -13.806 30.229 8.172 1.00 0.00 C ATOM 1171 O GLN A 74 -14.551 30.533 9.104 1.00 0.00 O ATOM 1172 CB GLN A 74 -11.977 31.778 7.427 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.119 32.789 7.557 1.00 0.00 C ATOM 1174 CD GLN A 74 -13.959 32.788 6.286 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -13.950 31.734 5.517 1.00 0.00 O flip ATOM 1176 NE2 GLN A 74 -14.640 33.768 5.987 1.00 0.00 N flip ATOM 0 H GLN A 74 -10.926 29.608 6.960 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.054 30.698 9.289 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.045 32.219 7.780 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.828 31.514 6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.742 32.539 8.415 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.716 33.786 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -14.644 34.590 6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.201 33.759 5.135 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.241 29.647 7.062 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.654 29.333 6.879 1.00 0.00 C ATOM 1187 C LYS A 75 -16.144 28.395 7.978 1.00 0.00 C ATOM 1188 O LYS A 75 -17.229 28.580 8.531 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.860 28.680 5.509 1.00 0.00 C ATOM 1190 CG LYS A 75 -17.358 28.517 5.225 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.964 29.874 4.851 1.00 0.00 C ATOM 1192 CE LYS A 75 -19.430 29.690 4.450 1.00 0.00 C ATOM 1193 NZ LYS A 75 -19.501 29.032 3.115 1.00 0.00 N ATOM 0 H LYS A 75 -13.642 29.384 6.280 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.228 30.258 6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.399 29.291 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.369 27.707 5.483 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -17.509 27.805 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.862 28.112 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.891 30.561 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.405 30.319 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.948 29.085 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.934 30.656 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.451 29.163 2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -18.796 29.458 2.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -19.305 28.016 3.218 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.332 27.392 8.287 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.679 26.420 9.324 1.00 0.00 C ATOM 1209 C GLU A 76 -14.461 25.575 9.696 1.00 0.00 C ATOM 1210 O GLU A 76 -14.353 24.418 9.284 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.814 25.512 8.832 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.331 24.648 9.990 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.043 25.512 11.033 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.575 26.549 10.663 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.047 25.123 12.189 1.00 0.00 O ATOM 0 H GLU A 76 -14.431 27.228 7.838 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.011 26.961 10.210 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.626 26.117 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.457 24.875 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.016 23.891 9.608 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.499 24.119 10.455 1.00 0.00 H new ATOM 1222 N MET A 77 -13.543 26.159 10.459 1.00 0.00 N ATOM 1223 CA MET A 77 -12.333 25.448 10.865 1.00 0.00 C ATOM 1224 C MET A 77 -12.671 24.150 11.601 1.00 0.00 C ATOM 1225 O MET A 77 -12.832 24.146 12.822 1.00 0.00 O ATOM 1226 CB MET A 77 -11.481 26.345 11.771 1.00 0.00 C ATOM 1227 CG MET A 77 -10.124 25.679 12.030 1.00 0.00 C ATOM 1228 SD MET A 77 -9.211 26.627 13.274 1.00 0.00 S ATOM 1229 CE MET A 77 -8.973 28.134 12.299 1.00 0.00 C ATOM 0 H MET A 77 -13.611 27.115 10.807 1.00 0.00 H new ATOM 0 HA MET A 77 -11.773 25.195 9.965 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.336 27.318 11.302 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.997 26.520 12.715 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.270 24.655 12.373 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.550 25.627 11.105 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.275 28.794 12.814 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.572 27.874 11.319 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.929 28.643 12.176 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.751 23.048 10.856 1.00 0.00 N ATOM 1240 CA GLN A 78 -13.036 21.748 11.461 1.00 0.00 C ATOM 1241 C GLN A 78 -12.007 21.460 12.551 1.00 0.00 C ATOM 1242 O GLN A 78 -10.883 21.959 12.482 1.00 0.00 O ATOM 1243 CB GLN A 78 -12.986 20.644 10.401 1.00 0.00 C ATOM 1244 CG GLN A 78 -14.025 20.920 9.311 1.00 0.00 C ATOM 1245 CD GLN A 78 -14.161 19.702 8.402 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -15.302 19.071 8.338 1.00 0.00 O flip ATOM 1247 NE2 GLN A 78 -13.204 19.314 7.734 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.624 23.029 9.844 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.035 21.771 11.895 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.990 20.595 9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.179 19.676 10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.988 21.155 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.728 21.790 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -12.313 19.808 7.785 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -13.301 18.498 7.129 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.345 20.680 13.548 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.407 20.352 14.639 1.00 0.00 C ATOM 1258 C PRO A 79 -10.666 19.051 14.367 1.00 0.00 C ATOM 1259 O PRO A 79 -11.242 17.964 14.426 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.348 20.201 15.825 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.587 19.600 15.240 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.637 20.021 13.760 1.00 0.00 C ATOM 0 HA PRO A 79 -10.625 21.098 14.780 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.919 19.558 16.594 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.555 21.163 16.293 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.569 18.514 15.331 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.473 19.950 15.770 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.762 19.161 13.102 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.469 20.697 13.563 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.385 19.186 14.088 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.529 18.038 13.823 1.00 0.00 C ATOM 1272 C ARG A 80 -7.094 18.511 13.617 1.00 0.00 C ATOM 1273 O ARG A 80 -6.841 19.380 12.781 1.00 0.00 O ATOM 1274 CB ARG A 80 -9.020 17.281 12.582 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.627 15.936 13.005 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.930 15.687 12.242 1.00 0.00 C ATOM 1277 NE ARG A 80 -10.703 15.754 10.800 1.00 0.00 N ATOM 1278 CZ ARG A 80 -11.089 16.806 10.079 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -11.641 17.840 10.653 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -10.911 16.806 8.789 1.00 0.00 N ATOM 0 H ARG A 80 -8.907 20.086 14.038 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.566 17.361 14.676 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.763 17.876 12.051 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.192 17.117 11.893 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.920 15.130 12.807 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -9.818 15.935 14.078 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.332 14.709 12.507 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.675 16.427 12.533 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.237 14.976 10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.781 17.848 11.663 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.933 18.640 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.477 16.003 8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.205 17.609 8.234 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.158 17.951 14.376 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.763 18.357 14.244 1.00 0.00 C ATOM 1296 C GLY A 81 -4.004 17.490 13.245 1.00 0.00 C ATOM 1297 O GLY A 81 -3.678 17.930 12.144 1.00 0.00 O ATOM 0 H GLY A 81 -6.334 17.229 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.718 19.399 13.927 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.276 18.299 15.217 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.707 16.261 13.657 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.956 15.321 12.825 1.00 0.00 C ATOM 1303 C GLU A 82 -3.672 14.962 11.522 1.00 0.00 C ATOM 1304 O GLU A 82 -3.024 14.785 10.488 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.684 14.038 13.617 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.745 14.342 14.793 1.00 0.00 C ATOM 1307 CD GLU A 82 -2.512 14.981 15.954 1.00 0.00 C ATOM 1308 OE1 GLU A 82 -3.707 14.754 16.059 1.00 0.00 O ATOM 1309 OE2 GLU A 82 -1.888 15.693 16.724 1.00 0.00 O ATOM 0 H GLU A 82 -3.976 15.889 14.568 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.025 15.819 12.554 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.621 13.622 13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.236 13.286 12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.268 13.422 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.950 15.012 14.465 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.993 14.806 11.577 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.748 14.410 10.388 1.00 0.00 C ATOM 1318 C GLN A 83 -5.561 15.396 9.236 1.00 0.00 C ATOM 1319 O GLN A 83 -4.990 15.049 8.200 1.00 0.00 O ATOM 1320 CB GLN A 83 -7.236 14.303 10.735 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.983 13.618 9.588 1.00 0.00 C ATOM 1322 CD GLN A 83 -7.605 12.142 9.535 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -7.919 11.388 10.456 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -6.941 11.685 8.510 1.00 0.00 N ATOM 0 H GLN A 83 -5.556 14.945 12.416 1.00 0.00 H new ATOM 0 HA GLN A 83 -5.367 13.442 10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.365 13.735 11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.651 15.295 10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.059 13.723 9.729 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.737 14.100 8.642 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.683 12.313 7.749 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.680 10.700 8.469 1.00 0.00 H new ATOM 1333 N MET A 84 -6.043 16.620 9.420 1.00 0.00 N ATOM 1334 CA MET A 84 -5.921 17.643 8.387 1.00 0.00 C ATOM 1335 C MET A 84 -4.461 17.990 8.099 1.00 0.00 C ATOM 1336 O MET A 84 -4.122 18.369 6.978 1.00 0.00 O ATOM 1337 CB MET A 84 -6.703 18.896 8.781 1.00 0.00 C ATOM 1338 CG MET A 84 -8.206 18.639 8.587 1.00 0.00 C ATOM 1339 SD MET A 84 -9.125 20.183 8.824 1.00 0.00 S ATOM 1340 CE MET A 84 -8.648 20.485 10.544 1.00 0.00 C ATOM 0 H MET A 84 -6.519 16.927 10.268 1.00 0.00 H new ATOM 0 HA MET A 84 -6.346 17.235 7.470 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.498 19.155 9.820 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.386 19.743 8.173 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.391 18.244 7.588 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.551 17.887 9.296 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.328 21.212 10.988 1.00 0.00 H new ATOM 0 HE2 MET A 84 -8.698 19.552 11.105 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.630 20.874 10.576 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.599 17.871 9.111 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.184 18.192 8.923 1.00 0.00 C ATOM 1352 C ARG A 85 -1.635 17.453 7.706 1.00 0.00 C ATOM 1353 O ARG A 85 -0.985 18.049 6.847 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.383 17.798 10.168 1.00 0.00 C ATOM 1355 CG ARG A 85 0.077 18.231 10.003 1.00 0.00 C ATOM 1356 CD ARG A 85 0.887 17.787 11.223 1.00 0.00 C ATOM 1357 NE ARG A 85 2.249 18.304 11.141 1.00 0.00 N ATOM 1358 CZ ARG A 85 3.152 17.765 10.322 1.00 0.00 C ATOM 1359 NH1 ARG A 85 2.830 16.748 9.569 1.00 0.00 N ATOM 1360 NH2 ARG A 85 4.360 18.255 10.273 1.00 0.00 N ATOM 0 H ARG A 85 -3.849 17.561 10.050 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.090 19.266 8.762 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.814 18.267 11.052 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.437 16.720 10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.496 17.793 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.135 19.314 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.409 18.144 12.135 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.906 16.699 11.279 1.00 0.00 H new ATOM 0 HE ARG A 85 2.516 19.097 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.886 16.364 9.607 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.523 16.337 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.612 19.049 10.861 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.052 17.844 9.647 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.920 16.158 7.624 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.469 15.360 6.489 1.00 0.00 C ATOM 1376 C ARG A 86 -2.050 15.923 5.195 1.00 0.00 C ATOM 1377 O ARG A 86 -1.377 15.979 4.165 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.916 13.906 6.663 1.00 0.00 C ATOM 1379 CG ARG A 86 -1.229 13.301 7.891 1.00 0.00 C ATOM 1380 CD ARG A 86 -1.678 11.848 8.067 1.00 0.00 C ATOM 1381 NE ARG A 86 -1.177 11.027 6.969 1.00 0.00 N ATOM 1382 CZ ARG A 86 -1.386 9.712 6.937 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -2.044 9.127 7.901 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -0.931 9.007 5.938 1.00 0.00 N ATOM 0 H ARG A 86 -2.456 15.642 8.322 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.381 15.397 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.999 13.859 6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.666 13.329 5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.146 13.346 7.773 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.477 13.879 8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.312 11.459 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.766 11.798 8.100 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.657 11.469 6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.400 9.677 8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.202 8.120 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.417 9.463 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.089 8.000 5.911 1.00 0.00 H new ATOM 1398 N MET A 87 -3.315 16.334 5.270 1.00 0.00 N ATOM 1399 CA MET A 87 -4.021 16.893 4.120 1.00 0.00 C ATOM 1400 C MET A 87 -3.302 18.111 3.540 1.00 0.00 C ATOM 1401 O MET A 87 -3.482 18.427 2.368 1.00 0.00 O ATOM 1402 CB MET A 87 -5.442 17.293 4.514 1.00 0.00 C ATOM 1403 CG MET A 87 -6.258 17.601 3.251 1.00 0.00 C ATOM 1404 SD MET A 87 -7.089 19.202 3.432 1.00 0.00 S ATOM 1405 CE MET A 87 -7.942 18.868 4.994 1.00 0.00 C ATOM 0 H MET A 87 -3.874 16.289 6.122 1.00 0.00 H new ATOM 0 HA MET A 87 -4.048 16.117 3.355 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.914 16.488 5.077 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.418 18.166 5.166 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.604 17.617 2.379 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.995 16.816 3.082 1.00 0.00 H new ATOM 0 HE1 MET A 87 -7.829 19.723 5.660 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.001 18.696 4.801 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.510 17.984 5.463 1.00 0.00 H new ATOM 1415 N MET A 88 -2.513 18.816 4.351 1.00 0.00 N ATOM 1416 CA MET A 88 -1.827 20.005 3.845 1.00 0.00 C ATOM 1417 C MET A 88 -1.203 19.708 2.483 1.00 0.00 C ATOM 1418 O MET A 88 -1.460 20.418 1.509 1.00 0.00 O ATOM 1419 CB MET A 88 -0.740 20.465 4.823 1.00 0.00 C ATOM 1420 CG MET A 88 -1.388 21.003 6.102 1.00 0.00 C ATOM 1421 SD MET A 88 -0.143 21.854 7.109 1.00 0.00 S ATOM 1422 CE MET A 88 0.984 20.457 7.343 1.00 0.00 C ATOM 0 H MET A 88 -2.336 18.595 5.331 1.00 0.00 H new ATOM 0 HA MET A 88 -2.561 20.804 3.741 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.077 19.633 5.062 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.127 21.239 4.362 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.197 21.689 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.830 20.184 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.715 20.704 8.113 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.416 19.579 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.501 20.245 6.407 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.418 18.637 2.411 1.00 0.00 N ATOM 1433 CA ARG A 89 0.193 18.238 1.147 1.00 0.00 C ATOM 1434 C ARG A 89 -0.902 17.902 0.135 1.00 0.00 C ATOM 1435 O ARG A 89 -0.819 18.264 -1.040 1.00 0.00 O ATOM 1436 CB ARG A 89 1.093 17.017 1.360 1.00 0.00 C ATOM 1437 CG ARG A 89 2.182 17.347 2.387 1.00 0.00 C ATOM 1438 CD ARG A 89 3.140 18.394 1.814 1.00 0.00 C ATOM 1439 NE ARG A 89 4.231 18.649 2.752 1.00 0.00 N ATOM 1440 CZ ARG A 89 4.054 19.407 3.833 1.00 0.00 C ATOM 1441 NH1 ARG A 89 2.889 19.943 4.078 1.00 0.00 N ATOM 1442 NH2 ARG A 89 5.050 19.614 4.650 1.00 0.00 N ATOM 0 H ARG A 89 -0.192 18.036 3.203 1.00 0.00 H new ATOM 0 HA ARG A 89 0.799 19.061 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.498 16.171 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.549 16.721 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.727 17.721 3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.732 16.443 2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.543 18.047 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.600 19.319 1.613 1.00 0.00 H new ATOM 0 HE ARG A 89 5.148 18.238 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.109 19.782 3.440 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.759 20.523 4.907 1.00 0.00 H new ATOM 0 HH21 ARG A 89 5.961 19.196 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.918 20.194 5.479 1.00 0.00 H new ATOM 1456 N LEU A 90 -1.929 17.207 0.623 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.066 16.803 -0.198 1.00 0.00 C ATOM 1458 C LEU A 90 -3.778 18.013 -0.800 1.00 0.00 C ATOM 1459 O LEU A 90 -4.137 18.008 -1.979 1.00 0.00 O ATOM 1460 CB LEU A 90 -4.034 16.004 0.683 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.325 15.682 -0.069 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -5.024 14.735 -1.221 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.307 15.008 0.891 1.00 0.00 C ATOM 0 H LEU A 90 -1.995 16.910 1.596 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.711 16.191 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.557 15.079 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.266 16.574 1.583 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.758 16.603 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.946 14.507 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.316 15.206 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.594 13.813 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.231 14.775 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.867 14.088 1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.524 15.680 1.721 1.00 0.00 H new ATOM 1475 N ALA A 91 -3.982 19.044 0.016 1.00 0.00 N ATOM 1476 CA ALA A 91 -4.655 20.253 -0.446 1.00 0.00 C ATOM 1477 C ALA A 91 -3.920 20.855 -1.636 1.00 0.00 C ATOM 1478 O ALA A 91 -4.508 21.070 -2.691 1.00 0.00 O ATOM 1479 CB ALA A 91 -4.723 21.277 0.690 1.00 0.00 C ATOM 0 H ALA A 91 -3.693 19.066 0.994 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.666 19.989 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.227 22.177 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.278 20.855 1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.713 21.529 1.014 1.00 0.00 H new ATOM 1485 N GLU A 92 -2.628 21.120 -1.451 1.00 0.00 N ATOM 1486 CA GLU A 92 -1.798 21.694 -2.510 1.00 0.00 C ATOM 1487 C GLU A 92 -1.773 20.793 -3.745 1.00 0.00 C ATOM 1488 O GLU A 92 -1.581 21.268 -4.863 1.00 0.00 O ATOM 1489 CB GLU A 92 -0.370 21.904 -1.995 1.00 0.00 C ATOM 1490 CG GLU A 92 0.416 22.781 -2.982 1.00 0.00 C ATOM 1491 CD GLU A 92 1.024 21.933 -4.104 1.00 0.00 C ATOM 1492 OE1 GLU A 92 1.274 20.759 -3.879 1.00 0.00 O ATOM 1493 OE2 GLU A 92 1.237 22.478 -5.175 1.00 0.00 O ATOM 0 H GLU A 92 -2.132 20.946 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.230 22.653 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.394 22.377 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.128 20.942 -1.873 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.244 23.536 -3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.207 23.312 -2.452 1.00 0.00 H new ATOM 1500 N ASN A 93 -1.948 19.492 -3.533 1.00 0.00 N ATOM 1501 CA ASN A 93 -1.922 18.535 -4.637 1.00 0.00 C ATOM 1502 C ASN A 93 -3.132 18.709 -5.554 1.00 0.00 C ATOM 1503 O ASN A 93 -3.026 18.528 -6.768 1.00 0.00 O ATOM 1504 CB ASN A 93 -1.901 17.107 -4.087 1.00 0.00 C ATOM 1505 CG ASN A 93 -1.569 16.120 -5.203 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -0.459 16.133 -5.735 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -2.472 15.264 -5.593 1.00 0.00 N ATOM 0 H ASN A 93 -2.108 19.077 -2.615 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.020 18.721 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.163 17.027 -3.289 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.870 16.863 -3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.259 14.603 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.391 15.255 -5.151 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.281 19.050 -4.974 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.500 19.232 -5.763 1.00 0.00 C ATOM 1516 C ILE A 94 -5.274 20.217 -6.920 1.00 0.00 C ATOM 1517 O ILE A 94 -5.506 19.875 -8.079 1.00 0.00 O ATOM 1518 CB ILE A 94 -6.646 19.714 -4.862 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.097 18.561 -3.956 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -7.829 20.176 -5.722 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -7.827 19.120 -2.732 1.00 0.00 C ATOM 0 H ILE A 94 -4.395 19.205 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.771 18.269 -6.195 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.298 20.549 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.754 17.889 -4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.234 17.975 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.638 20.516 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.512 20.995 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.179 19.346 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.146 18.298 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -7.156 19.775 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.700 19.686 -3.056 1.00 0.00 H new ATOM 1533 N PRO A 95 -4.832 21.420 -6.638 1.00 0.00 N ATOM 1534 CA PRO A 95 -4.578 22.452 -7.690 1.00 0.00 C ATOM 1535 C PRO A 95 -3.401 22.097 -8.603 1.00 0.00 C ATOM 1536 O PRO A 95 -3.340 22.556 -9.741 1.00 0.00 O ATOM 1537 CB PRO A 95 -4.275 23.725 -6.893 1.00 0.00 C ATOM 1538 CG PRO A 95 -3.814 23.258 -5.557 1.00 0.00 C ATOM 1539 CD PRO A 95 -4.528 21.935 -5.294 1.00 0.00 C ATOM 0 HA PRO A 95 -5.431 22.550 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.508 24.323 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.162 24.353 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.732 23.125 -5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.055 23.989 -4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -3.896 21.245 -4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.435 22.081 -4.708 1.00 0.00 H new ATOM 1547 N SER A 96 -2.481 21.267 -8.106 1.00 0.00 N ATOM 1548 CA SER A 96 -1.331 20.850 -8.904 1.00 0.00 C ATOM 1549 C SER A 96 -1.836 20.088 -10.099 1.00 0.00 C ATOM 1550 O SER A 96 -1.394 20.267 -11.235 1.00 0.00 O ATOM 1551 CB SER A 96 -0.396 19.964 -8.077 1.00 0.00 C ATOM 1552 OG SER A 96 -0.022 20.651 -6.892 1.00 0.00 O ATOM 0 H SER A 96 -2.511 20.875 -7.165 1.00 0.00 H new ATOM 0 HA SER A 96 -0.769 21.727 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.893 19.027 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.490 19.709 -8.658 1.00 0.00 H new ATOM 0 HG SER A 96 -0.735 20.566 -6.226 1.00 0.00 H new ATOM 1558 N ARG A 97 -2.791 19.238 -9.793 1.00 0.00 N ATOM 1559 CA ARG A 97 -3.444 18.402 -10.766 1.00 0.00 C ATOM 1560 C ARG A 97 -4.105 19.226 -11.872 1.00 0.00 C ATOM 1561 O ARG A 97 -4.195 18.774 -13.015 1.00 0.00 O ATOM 1562 CB ARG A 97 -4.471 17.556 -10.032 1.00 0.00 C ATOM 1563 CG ARG A 97 -3.748 16.498 -9.191 1.00 0.00 C ATOM 1564 CD ARG A 97 -4.768 15.548 -8.564 1.00 0.00 C ATOM 1565 NE ARG A 97 -5.758 16.298 -7.802 1.00 0.00 N ATOM 1566 CZ ARG A 97 -6.752 15.684 -7.166 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -6.850 14.382 -7.201 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -7.627 16.384 -6.504 1.00 0.00 N ATOM 0 H ARG A 97 -3.139 19.109 -8.843 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.706 17.768 -11.257 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.088 18.187 -9.392 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.140 17.075 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.052 15.938 -9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.159 16.981 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.262 14.969 -9.344 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.260 14.837 -7.912 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.687 17.314 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.163 13.833 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.614 13.915 -6.712 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.549 17.401 -6.474 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.390 15.916 -6.015 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.554 20.436 -11.535 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.186 21.301 -12.521 1.00 0.00 C ATOM 1584 C CYS A 98 -4.201 22.336 -12.992 1.00 0.00 C ATOM 1585 O CYS A 98 -4.455 23.040 -13.970 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.393 22.033 -11.939 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.113 21.063 -10.589 1.00 0.00 S ATOM 0 H CYS A 98 -4.491 20.832 -10.597 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.516 20.668 -13.345 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.092 23.014 -11.572 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.138 22.198 -12.717 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.082 22.452 -12.283 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.107 23.444 -12.660 1.00 0.00 C ATOM 1594 C ASN A 99 -1.711 23.268 -14.094 1.00 0.00 C ATOM 1595 O ASN A 99 -1.845 22.197 -14.689 1.00 0.00 O ATOM 1596 CB ASN A 99 -0.874 23.460 -11.786 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.149 24.279 -10.530 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -0.722 23.915 -9.436 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -1.843 25.381 -10.631 1.00 0.00 N ATOM 0 H ASN A 99 -2.841 21.886 -11.470 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.596 24.408 -12.518 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.595 22.442 -11.515 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.033 23.886 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.032 25.942 -9.801 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.196 25.680 -11.540 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.324 24.379 -14.649 1.00 0.00 N ATOM 1607 CA LEU A 100 -1.006 24.463 -16.048 1.00 0.00 C ATOM 1608 C LEU A 100 0.136 25.448 -16.265 1.00 0.00 C ATOM 1609 O LEU A 100 0.166 26.507 -15.643 1.00 0.00 O ATOM 1610 CB LEU A 100 -2.288 24.936 -16.749 1.00 0.00 C ATOM 1611 CG LEU A 100 -3.322 25.375 -15.674 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -3.114 26.849 -15.328 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.740 25.149 -16.178 1.00 0.00 C ATOM 0 H LEU A 100 -1.219 25.258 -14.143 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.678 23.504 -16.449 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.066 25.767 -17.419 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.700 24.134 -17.362 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.175 24.774 -14.777 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.841 27.152 -14.574 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.106 26.993 -14.938 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.246 27.455 -16.224 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.452 25.461 -15.414 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.901 25.733 -17.084 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.884 24.091 -16.397 1.00 0.00 H new ATOM 1625 N SER A 101 1.078 25.070 -17.131 1.00 0.00 N ATOM 1626 CA SER A 101 2.252 25.897 -17.419 1.00 0.00 C ATOM 1627 C SER A 101 1.925 27.389 -17.364 1.00 0.00 C ATOM 1628 O SER A 101 1.478 27.977 -18.350 1.00 0.00 O ATOM 1629 CB SER A 101 2.798 25.547 -18.805 1.00 0.00 C ATOM 1630 OG SER A 101 1.736 25.577 -19.752 1.00 0.00 O ATOM 0 H SER A 101 1.050 24.191 -17.648 1.00 0.00 H new ATOM 0 HA SER A 101 3.000 25.689 -16.654 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.576 26.255 -19.091 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.257 24.559 -18.788 1.00 0.00 H new ATOM 0 HG SER A 101 1.237 26.415 -19.657 1.00 0.00 H new ATOM 1636 N PRO A 102 2.158 28.006 -16.231 1.00 0.00 N ATOM 1637 CA PRO A 102 1.919 29.451 -16.009 1.00 0.00 C ATOM 1638 C PRO A 102 3.185 30.266 -16.270 1.00 0.00 C ATOM 1639 O PRO A 102 4.282 29.848 -15.898 1.00 0.00 O ATOM 1640 CB PRO A 102 1.522 29.505 -14.522 1.00 0.00 C ATOM 1641 CG PRO A 102 1.877 28.160 -13.937 1.00 0.00 C ATOM 1642 CD PRO A 102 2.663 27.401 -15.003 1.00 0.00 C ATOM 0 HA PRO A 102 1.164 29.871 -16.674 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.054 30.305 -14.007 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.457 29.708 -14.412 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.472 28.279 -13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.977 27.612 -13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.739 27.537 -14.892 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.472 26.329 -14.966 1.00 0.00 H new ATOM 1650 N MET A 103 3.038 31.421 -16.911 1.00 0.00 N ATOM 1651 CA MET A 103 4.198 32.255 -17.203 1.00 0.00 C ATOM 1652 C MET A 103 4.743 32.891 -15.923 1.00 0.00 C ATOM 1653 O MET A 103 5.891 32.652 -15.548 1.00 0.00 O ATOM 1654 CB MET A 103 3.808 33.352 -18.199 1.00 0.00 C ATOM 1655 CG MET A 103 5.062 34.086 -18.684 1.00 0.00 C ATOM 1656 SD MET A 103 5.917 33.072 -19.917 1.00 0.00 S ATOM 1657 CE MET A 103 7.562 33.795 -19.709 1.00 0.00 C ATOM 0 H MET A 103 2.145 31.795 -17.233 1.00 0.00 H new ATOM 0 HA MET A 103 4.976 31.627 -17.637 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.281 32.915 -19.047 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.123 34.057 -17.727 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.789 35.049 -19.116 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.725 34.290 -17.843 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.262 33.308 -20.388 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.522 34.861 -19.933 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.895 33.653 -18.681 1.00 0.00 H new ATOM 1667 N ARG A 104 3.908 33.689 -15.253 1.00 0.00 N ATOM 1668 CA ARG A 104 4.315 34.346 -14.009 1.00 0.00 C ATOM 1669 C ARG A 104 3.115 34.583 -13.093 1.00 0.00 C ATOM 1670 O ARG A 104 1.983 34.722 -13.562 1.00 0.00 O ATOM 1671 CB ARG A 104 4.984 35.696 -14.307 1.00 0.00 C ATOM 1672 CG ARG A 104 6.352 35.490 -14.972 1.00 0.00 C ATOM 1673 CD ARG A 104 7.319 34.817 -13.990 1.00 0.00 C ATOM 1674 NE ARG A 104 7.469 35.633 -12.784 1.00 0.00 N ATOM 1675 CZ ARG A 104 7.042 35.215 -11.591 1.00 0.00 C ATOM 1676 NH1 ARG A 104 6.473 34.046 -11.458 1.00 0.00 N ATOM 1677 NH2 ARG A 104 7.193 35.981 -10.546 1.00 0.00 N ATOM 0 H ARG A 104 2.954 33.895 -15.548 1.00 0.00 H new ATOM 0 HA ARG A 104 5.023 33.686 -13.508 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.343 36.289 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.105 36.259 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.242 34.875 -15.865 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.757 36.450 -15.293 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.947 33.828 -13.724 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.290 34.676 -14.465 1.00 0.00 H new ATOM 0 HE ARG A 104 7.913 36.548 -12.858 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.351 33.443 -12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.151 33.737 -10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.636 36.895 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.868 35.666 -9.632 1.00 0.00 H new ATOM 1691 N CYS A 105 3.379 34.666 -11.788 1.00 0.00 N ATOM 1692 CA CYS A 105 2.327 34.931 -10.811 1.00 0.00 C ATOM 1693 C CYS A 105 2.601 36.272 -10.122 1.00 0.00 C ATOM 1694 O CYS A 105 3.373 36.337 -9.163 1.00 0.00 O ATOM 1695 CB CYS A 105 2.275 33.816 -9.759 1.00 0.00 C ATOM 1696 SG CYS A 105 1.222 32.462 -10.349 1.00 0.00 S ATOM 0 H CYS A 105 4.310 34.554 -11.386 1.00 0.00 H new ATOM 0 HA CYS A 105 1.368 34.968 -11.328 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.280 33.446 -9.558 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.886 34.208 -8.819 1.00 0.00 H new ATOM 1701 N PRO A 106 1.992 37.333 -10.594 1.00 0.00 N ATOM 1702 CA PRO A 106 2.179 38.695 -10.014 1.00 0.00 C ATOM 1703 C PRO A 106 1.466 38.870 -8.693 1.00 0.00 C ATOM 1704 O PRO A 106 1.386 39.977 -8.161 1.00 0.00 O ATOM 1705 CB PRO A 106 1.594 39.643 -11.052 1.00 0.00 C ATOM 1706 CG PRO A 106 0.662 38.823 -11.889 1.00 0.00 C ATOM 1707 CD PRO A 106 1.062 37.351 -11.734 1.00 0.00 C ATOM 0 HA PRO A 106 3.232 38.882 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.064 40.466 -10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.381 40.084 -11.664 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.370 38.974 -11.571 1.00 0.00 H new ATOM 0 HG3 PRO A 106 0.721 39.126 -12.934 1.00 0.00 H new ATOM 0 HD2 PRO A 106 0.192 36.722 -11.545 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.538 36.973 -12.639 1.00 0.00 H new ATOM 1715 N MET A 107 0.932 37.784 -8.184 1.00 0.00 N ATOM 1716 CA MET A 107 0.202 37.834 -6.941 1.00 0.00 C ATOM 1717 C MET A 107 1.140 37.962 -5.775 1.00 0.00 C ATOM 1718 O MET A 107 1.708 36.990 -5.276 1.00 0.00 O ATOM 1719 CB MET A 107 -0.592 36.577 -6.798 1.00 0.00 C ATOM 1720 CG MET A 107 -1.670 36.560 -7.873 1.00 0.00 C ATOM 1721 SD MET A 107 -2.546 38.148 -7.876 1.00 0.00 S ATOM 1722 CE MET A 107 -2.683 38.348 -9.669 1.00 0.00 C ATOM 0 H MET A 107 0.989 36.859 -8.610 1.00 0.00 H new ATOM 0 HA MET A 107 -0.456 38.703 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.056 35.706 -6.898 1.00 0.00 H new ATOM 0 HB3 MET A 107 -1.044 36.526 -5.808 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.222 36.378 -8.850 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.371 35.746 -7.687 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.667 39.409 -9.919 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.846 37.848 -10.156 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.619 37.908 -10.014 1.00 0.00 H new