USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 861 hydrogens (15 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 NoAdj-H: A 106 GSH H32 : A 106 GSH O32 : A 106 GSH C3 :(short bond) USER MOD NoAdj-H: A 106 GSH H12 : A 106 GSH O12 : A 106 GSH C1 :(short bond) USER MOD Set 1.1: A 90 GLN :FLIP amide:sc= -9.54! C(o=-9.9!,f=-7.8!) USER MOD Set 1.2: A 91 SER OG : rot 70:sc= 1.7 USER MOD Set 2.1: A 6 ASN : amide:sc= 0.941 K(o=1.8,f=0.17!) USER MOD Set 2.2: A 59 TYR OH : rot 0:sc= 0.871 USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.00239 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0179 F(o=-1.7!,f=-0.018) USER MOD Single : A 7 SER OG : rot 109:sc= 1.21 USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= -0.0733 (180deg=-0.668) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0765) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -32:sc= -0.516! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 77:sc= 0.689 USER MOD Single : A 29 GLN :FLIP amide:sc= 0.301 F(o=-0.86,f=0.3) USER MOD Single : A 33 SER OG : rot 107:sc= 0.963 USER MOD Single : A 34 GLN : amide:sc= -0.0986 X(o=-0.099,f=-0.099) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.8!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -38:sc= 0.427 USER MOD Single : A 51 ASN : amide:sc= -0.543 K(o=-0.54,f=-3.7!) USER MOD Single : A 52 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0232 USER MOD Single : A 54 ASN : amide:sc= -0.37 K(o=-0.37,f=-3.2!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -3.5! C(o=-3.5!,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.2) USER MOD Single : A 64 THR OG1 : rot -91:sc= 0.519! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0728 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 90:sc= 0.349 USER MOD Single : A 89 GLN :FLIP amide:sc= -3.01! C(o=-3.7!,f=-3!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.914 K(o=-0.91,f=-1.5) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.314 46.164 5.708 1.00 18.33 N ATOM 2 CA ALA A 1 16.193 45.083 5.176 1.00 16.52 C ATOM 3 C ALA A 1 15.476 44.349 4.040 1.00 15.03 C ATOM 4 O ALA A 1 14.300 44.056 4.120 1.00 16.00 O ATOM 5 CB ALA A 1 16.517 44.092 6.296 1.00 17.21 C ATOM 0 H1 ALA A 1 15.765 47.088 5.549 1.00 18.33 H new ATOM 0 H2 ALA A 1 14.396 46.137 5.219 1.00 18.33 H new ATOM 0 H3 ALA A 1 15.167 46.022 6.728 1.00 18.33 H new ATOM 0 HA ALA A 1 17.116 45.522 4.798 1.00 16.52 H new ATOM 0 HB1 ALA A 1 17.159 43.302 5.908 1.00 17.21 H new ATOM 0 HB2 ALA A 1 17.030 44.612 7.105 1.00 17.21 H new ATOM 0 HB3 ALA A 1 15.593 43.655 6.674 1.00 17.21 H new ATOM 13 N GLN A 2 16.179 44.047 2.982 1.00 14.70 N ATOM 14 CA GLN A 2 15.543 43.328 1.840 1.00 14.58 C ATOM 15 C GLN A 2 16.634 42.669 0.992 1.00 12.38 C ATOM 16 O GLN A 2 16.886 41.486 1.098 1.00 12.11 O ATOM 17 CB GLN A 2 14.747 44.322 0.985 1.00 17.38 C ATOM 18 CG GLN A 2 15.315 45.733 1.166 1.00 22.60 C ATOM 19 CD GLN A 2 14.689 46.667 0.130 1.00 24.11 C ATOM 20 OE1 GLN A 2 13.850 46.182 -0.744 1.00 29.77 O flip ATOM 21 NE2 GLN A 2 14.965 47.851 0.115 1.00 23.75 N flip ATOM 0 H GLN A 2 17.167 44.267 2.859 1.00 14.70 H new ATOM 0 HA GLN A 2 14.865 42.563 2.218 1.00 14.58 H new ATOM 0 HB2 GLN A 2 14.795 44.033 -0.065 1.00 17.38 H new ATOM 0 HB3 GLN A 2 13.696 44.303 1.273 1.00 17.38 H new ATOM 0 HG2 GLN A 2 15.106 46.095 2.173 1.00 22.60 H new ATOM 0 HG3 GLN A 2 16.399 45.719 1.051 1.00 22.60 H new ATOM 0 HE21 GLN A 2 15.621 48.231 0.798 1.00 23.75 H new ATOM 0 HE22 GLN A 2 14.541 48.465 -0.581 1.00 23.75 H new ATOM 30 N GLU A 3 17.287 43.428 0.154 1.00 0.00 N ATOM 31 CA GLU A 3 18.366 42.848 -0.695 1.00 0.00 C ATOM 32 C GLU A 3 19.451 42.250 0.206 1.00 0.00 C ATOM 33 O GLU A 3 20.355 41.579 -0.251 1.00 0.00 O ATOM 34 CB GLU A 3 18.976 43.954 -1.559 1.00 0.00 C ATOM 35 CG GLU A 3 19.578 45.037 -0.656 1.00 0.00 C ATOM 36 CD GLU A 3 19.830 46.307 -1.472 1.00 0.00 C ATOM 37 OE1 GLU A 3 20.022 46.191 -2.670 1.00 0.00 O ATOM 38 OE2 GLU A 3 19.828 47.377 -0.883 1.00 0.00 O ATOM 0 H GLU A 3 17.119 44.425 0.021 1.00 0.00 H new ATOM 0 HA GLU A 3 17.953 42.069 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.746 43.539 -2.209 1.00 0.00 H new ATOM 0 HB3 GLU A 3 18.213 44.388 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.901 45.253 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.512 44.682 -0.219 1.00 0.00 H new ATOM 45 N PHE A 4 19.370 42.502 1.483 1.00 11.75 N ATOM 46 CA PHE A 4 20.392 41.972 2.430 1.00 10.29 C ATOM 47 C PHE A 4 20.385 40.443 2.453 1.00 10.97 C ATOM 48 O PHE A 4 21.323 39.803 2.023 1.00 7.53 O ATOM 49 CB PHE A 4 20.081 42.496 3.838 1.00 11.72 C ATOM 50 CG PHE A 4 21.022 43.624 4.195 1.00 16.98 C ATOM 51 CD1 PHE A 4 21.121 44.748 3.365 1.00 17.80 C ATOM 52 CD2 PHE A 4 21.793 43.549 5.364 1.00 12.51 C ATOM 53 CE1 PHE A 4 21.994 45.792 3.700 1.00 18.59 C ATOM 54 CE2 PHE A 4 22.666 44.593 5.697 1.00 19.72 C ATOM 55 CZ PHE A 4 22.764 45.716 4.867 1.00 20.03 C ATOM 0 H PHE A 4 18.632 43.058 1.915 1.00 11.75 H new ATOM 0 HA PHE A 4 21.376 42.306 2.102 1.00 10.29 H new ATOM 0 HB2 PHE A 4 19.049 42.845 3.884 1.00 11.72 H new ATOM 0 HB3 PHE A 4 20.177 41.689 4.564 1.00 11.72 H new ATOM 0 HD1 PHE A 4 20.525 44.810 2.467 1.00 17.80 H new ATOM 0 HD2 PHE A 4 21.714 42.686 6.008 1.00 12.51 H new ATOM 0 HE1 PHE A 4 22.073 46.656 3.057 1.00 18.59 H new ATOM 0 HE2 PHE A 4 23.264 44.531 6.594 1.00 19.72 H new ATOM 0 HZ PHE A 4 23.433 46.523 5.127 1.00 20.03 H new ATOM 65 N VAL A 5 19.352 39.855 2.988 1.00 10.96 N ATOM 66 CA VAL A 5 19.307 38.369 3.079 1.00 12.03 C ATOM 67 C VAL A 5 19.056 37.755 1.700 1.00 12.91 C ATOM 68 O VAL A 5 19.610 36.728 1.361 1.00 10.57 O ATOM 69 CB VAL A 5 18.189 37.956 4.040 1.00 12.04 C ATOM 70 CG1 VAL A 5 18.166 38.912 5.235 1.00 5.33 C ATOM 71 CG2 VAL A 5 16.836 38.007 3.321 1.00 9.23 C ATOM 0 H VAL A 5 18.537 40.339 3.366 1.00 10.96 H new ATOM 0 HA VAL A 5 20.266 38.007 3.450 1.00 12.03 H new ATOM 0 HB VAL A 5 18.372 36.939 4.386 1.00 12.04 H new ATOM 0 HG11 VAL A 5 17.370 38.619 5.920 1.00 5.33 H new ATOM 0 HG12 VAL A 5 19.124 38.870 5.753 1.00 5.33 H new ATOM 0 HG13 VAL A 5 17.987 39.928 4.884 1.00 5.33 H new ATOM 0 HG21 VAL A 5 16.046 37.712 4.011 1.00 9.23 H new ATOM 0 HG22 VAL A 5 16.649 39.021 2.968 1.00 9.23 H new ATOM 0 HG23 VAL A 5 16.849 37.324 2.472 1.00 9.23 H new ATOM 81 N ASN A 6 18.221 38.361 0.906 1.00 13.95 N ATOM 82 CA ASN A 6 17.941 37.794 -0.439 1.00 13.93 C ATOM 83 C ASN A 6 19.252 37.627 -1.203 1.00 14.98 C ATOM 84 O ASN A 6 19.417 36.707 -1.980 1.00 13.88 O ATOM 85 CB ASN A 6 17.016 38.741 -1.199 1.00 19.23 C ATOM 86 CG ASN A 6 15.613 38.683 -0.593 1.00 22.04 C ATOM 87 OD1 ASN A 6 15.246 37.704 0.026 1.00 28.33 O ATOM 88 ND2 ASN A 6 14.807 39.698 -0.746 1.00 26.59 N ATOM 0 H ASN A 6 17.722 39.222 1.130 1.00 13.95 H new ATOM 0 HA ASN A 6 17.460 36.821 -0.337 1.00 13.93 H new ATOM 0 HB2 ASN A 6 17.402 39.759 -1.151 1.00 19.23 H new ATOM 0 HB3 ASN A 6 16.980 38.463 -2.252 1.00 19.23 H new ATOM 0 HD21 ASN A 6 13.869 39.669 -0.346 1.00 26.59 H new ATOM 0 HD22 ASN A 6 15.115 40.520 -1.266 1.00 26.59 H new ATOM 95 N SER A 7 20.191 38.509 -0.996 1.00 0.00 N ATOM 96 CA SER A 7 21.487 38.393 -1.719 1.00 0.00 C ATOM 97 C SER A 7 22.322 37.257 -1.119 1.00 0.00 C ATOM 98 O SER A 7 23.307 36.836 -1.691 1.00 0.00 O ATOM 99 CB SER A 7 22.259 39.706 -1.588 1.00 0.00 C ATOM 100 OG SER A 7 21.604 40.717 -2.343 1.00 0.00 O ATOM 0 H SER A 7 20.117 39.302 -0.359 1.00 0.00 H new ATOM 0 HA SER A 7 21.291 38.180 -2.770 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.320 40.001 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.281 39.576 -1.943 1.00 0.00 H new ATOM 0 HG SER A 7 21.186 41.361 -1.734 1.00 0.00 H new ATOM 106 N LYS A 8 21.955 36.770 0.038 1.00 13.50 N ATOM 107 CA LYS A 8 22.753 35.677 0.675 1.00 11.83 C ATOM 108 C LYS A 8 22.125 34.310 0.387 1.00 12.94 C ATOM 109 O LYS A 8 22.809 33.367 0.040 1.00 11.22 O ATOM 110 CB LYS A 8 22.809 35.918 2.183 1.00 13.35 C ATOM 111 CG LYS A 8 23.492 37.261 2.445 1.00 9.72 C ATOM 112 CD LYS A 8 23.722 37.444 3.946 1.00 17.72 C ATOM 113 CE LYS A 8 24.159 38.884 4.226 1.00 15.70 C ATOM 114 NZ LYS A 8 25.175 39.302 3.218 1.00 22.87 N ATOM 0 H LYS A 8 21.141 37.080 0.569 1.00 13.50 H new ATOM 0 HA LYS A 8 23.761 35.681 0.260 1.00 11.83 H new ATOM 0 HB2 LYS A 8 21.803 35.919 2.602 1.00 13.35 H new ATOM 0 HB3 LYS A 8 23.358 35.114 2.673 1.00 13.35 H new ATOM 0 HG2 LYS A 8 24.443 37.305 1.915 1.00 9.72 H new ATOM 0 HG3 LYS A 8 22.875 38.074 2.061 1.00 9.72 H new ATOM 0 HD2 LYS A 8 22.808 37.217 4.495 1.00 17.72 H new ATOM 0 HD3 LYS A 8 24.484 36.747 4.295 1.00 17.72 H new ATOM 0 HE2 LYS A 8 23.297 39.551 4.187 1.00 15.70 H new ATOM 0 HE3 LYS A 8 24.576 38.960 5.230 1.00 15.70 H new ATOM 0 HZ1 LYS A 8 25.712 40.114 3.583 1.00 22.87 H new ATOM 0 HZ2 LYS A 8 25.825 38.512 3.032 1.00 22.87 H new ATOM 0 HZ3 LYS A 8 24.697 39.572 2.335 1.00 22.87 H new ATOM 128 N ILE A 9 20.832 34.184 0.533 1.00 11.05 N ATOM 129 CA ILE A 9 20.188 32.861 0.268 1.00 13.61 C ATOM 130 C ILE A 9 20.005 32.650 -1.231 1.00 12.23 C ATOM 131 O ILE A 9 19.456 33.476 -1.931 1.00 12.72 O ATOM 132 CB ILE A 9 18.818 32.777 0.944 1.00 14.29 C ATOM 133 CG1 ILE A 9 17.975 33.995 0.544 1.00 20.74 C ATOM 134 CG2 ILE A 9 19.005 32.719 2.460 1.00 15.26 C ATOM 135 CD1 ILE A 9 16.983 34.348 1.659 1.00 25.19 C ATOM 0 H ILE A 9 20.199 34.930 0.821 1.00 11.05 H new ATOM 0 HA ILE A 9 20.841 32.089 0.674 1.00 13.61 H new ATOM 0 HB ILE A 9 18.297 31.875 0.622 1.00 14.29 H new ATOM 0 HG12 ILE A 9 18.626 34.846 0.345 1.00 20.74 H new ATOM 0 HG13 ILE A 9 17.435 33.784 -0.379 1.00 20.74 H new ATOM 0 HG21 ILE A 9 18.031 32.659 2.945 1.00 15.26 H new ATOM 0 HG22 ILE A 9 19.595 31.840 2.721 1.00 15.26 H new ATOM 0 HG23 ILE A 9 19.523 33.617 2.797 1.00 15.26 H new ATOM 0 HD11 ILE A 9 16.393 35.214 1.360 1.00 25.19 H new ATOM 0 HD12 ILE A 9 16.320 33.501 1.838 1.00 25.19 H new ATOM 0 HD13 ILE A 9 17.530 34.580 2.573 1.00 25.19 H new ATOM 147 N GLN A 10 20.446 31.528 -1.712 1.00 11.13 N ATOM 148 CA GLN A 10 20.295 31.209 -3.153 1.00 10.86 C ATOM 149 C GLN A 10 20.197 29.678 -3.293 1.00 10.00 C ATOM 150 O GLN A 10 20.604 28.959 -2.402 1.00 10.42 O ATOM 151 CB GLN A 10 21.496 31.776 -3.935 1.00 14.27 C ATOM 152 CG GLN A 10 22.470 30.667 -4.338 1.00 22.05 C ATOM 153 CD GLN A 10 23.743 31.296 -4.906 1.00 30.84 C ATOM 154 OE1 GLN A 10 24.457 31.990 -4.208 1.00 32.99 O ATOM 155 NE2 GLN A 10 24.060 31.086 -6.154 1.00 34.61 N ATOM 0 H GLN A 10 20.912 30.808 -1.160 1.00 11.13 H new ATOM 0 HA GLN A 10 19.393 31.662 -3.565 1.00 10.86 H new ATOM 0 HB2 GLN A 10 21.141 32.293 -4.827 1.00 14.27 H new ATOM 0 HB3 GLN A 10 22.015 32.514 -3.324 1.00 14.27 H new ATOM 0 HG2 GLN A 10 22.711 30.047 -3.475 1.00 22.05 H new ATOM 0 HG3 GLN A 10 22.010 30.015 -5.080 1.00 22.05 H new ATOM 0 HE21 GLN A 10 23.462 30.504 -6.741 1.00 34.61 H new ATOM 0 HE22 GLN A 10 24.906 31.504 -6.543 1.00 34.61 H new ATOM 164 N PRO A 11 19.639 29.220 -4.388 1.00 6.53 N ATOM 165 CA PRO A 11 19.466 27.773 -4.625 1.00 7.75 C ATOM 166 C PRO A 11 20.804 27.030 -4.551 1.00 6.33 C ATOM 167 O PRO A 11 21.800 27.456 -5.103 1.00 9.49 O ATOM 168 CB PRO A 11 18.867 27.671 -6.038 1.00 8.32 C ATOM 169 CG PRO A 11 18.668 29.115 -6.566 1.00 7.94 C ATOM 170 CD PRO A 11 19.140 30.084 -5.472 1.00 11.72 C ATOM 0 HA PRO A 11 18.826 27.317 -3.870 1.00 7.75 H new ATOM 0 HB2 PRO A 11 19.531 27.110 -6.696 1.00 8.32 H new ATOM 0 HB3 PRO A 11 17.917 27.137 -6.014 1.00 8.32 H new ATOM 0 HG2 PRO A 11 19.237 29.268 -7.483 1.00 7.94 H new ATOM 0 HG3 PRO A 11 17.620 29.292 -6.807 1.00 7.94 H new ATOM 0 HD2 PRO A 11 19.923 30.746 -5.842 1.00 11.72 H new ATOM 0 HD3 PRO A 11 18.323 30.718 -5.127 1.00 11.72 H new ATOM 178 N GLY A 12 20.817 25.906 -3.888 1.00 5.64 N ATOM 179 CA GLY A 12 22.065 25.099 -3.783 1.00 8.39 C ATOM 180 C GLY A 12 23.065 25.768 -2.839 1.00 7.67 C ATOM 181 O GLY A 12 24.260 25.591 -2.967 1.00 10.24 O ATOM 0 H GLY A 12 20.008 25.509 -3.410 1.00 5.64 H new ATOM 0 HA2 GLY A 12 21.828 24.099 -3.420 1.00 8.39 H new ATOM 0 HA3 GLY A 12 22.512 24.982 -4.770 1.00 8.39 H new ATOM 185 N LYS A 13 22.598 26.528 -1.886 1.00 9.66 N ATOM 186 CA LYS A 13 23.540 27.190 -0.938 1.00 10.29 C ATOM 187 C LYS A 13 22.933 27.201 0.465 1.00 10.20 C ATOM 188 O LYS A 13 21.792 27.572 0.656 1.00 6.89 O ATOM 189 CB LYS A 13 23.799 28.625 -1.394 1.00 9.77 C ATOM 190 CG LYS A 13 24.865 29.262 -0.502 1.00 10.63 C ATOM 191 CD LYS A 13 25.219 30.650 -1.039 1.00 12.04 C ATOM 192 CE LYS A 13 26.218 31.321 -0.094 1.00 19.12 C ATOM 193 NZ LYS A 13 27.558 30.686 -0.256 1.00 25.36 N ATOM 0 H LYS A 13 21.609 26.719 -1.723 1.00 9.66 H new ATOM 0 HA LYS A 13 24.481 26.640 -0.920 1.00 10.29 H new ATOM 0 HB2 LYS A 13 24.128 28.633 -2.433 1.00 9.77 H new ATOM 0 HB3 LYS A 13 22.877 29.204 -1.347 1.00 9.77 H new ATOM 0 HG2 LYS A 13 24.499 29.339 0.522 1.00 10.63 H new ATOM 0 HG3 LYS A 13 25.755 28.633 -0.475 1.00 10.63 H new ATOM 0 HD2 LYS A 13 25.646 30.567 -2.038 1.00 12.04 H new ATOM 0 HD3 LYS A 13 24.319 31.259 -1.126 1.00 12.04 H new ATOM 0 HE2 LYS A 13 26.280 32.387 -0.311 1.00 19.12 H new ATOM 0 HE3 LYS A 13 25.880 31.225 0.938 1.00 19.12 H new ATOM 0 HZ1 LYS A 13 28.271 31.245 0.254 1.00 25.36 H new ATOM 0 HZ2 LYS A 13 27.534 29.721 0.130 1.00 25.36 H new ATOM 0 HZ3 LYS A 13 27.805 30.649 -1.266 1.00 25.36 H new ATOM 207 N VAL A 14 23.693 26.804 1.456 1.00 10.89 N ATOM 208 CA VAL A 14 23.169 26.800 2.845 1.00 9.99 C ATOM 209 C VAL A 14 23.687 28.037 3.574 1.00 5.01 C ATOM 210 O VAL A 14 24.871 28.305 3.597 1.00 6.68 O ATOM 211 CB VAL A 14 23.644 25.542 3.573 1.00 7.84 C ATOM 212 CG1 VAL A 14 23.098 25.542 5.003 1.00 9.33 C ATOM 213 CG2 VAL A 14 23.131 24.306 2.831 1.00 5.86 C ATOM 0 H VAL A 14 24.656 26.483 1.356 1.00 10.89 H new ATOM 0 HA VAL A 14 22.079 26.810 2.825 1.00 9.99 H new ATOM 0 HB VAL A 14 24.733 25.526 3.602 1.00 7.84 H new ATOM 0 HG11 VAL A 14 23.437 24.645 5.522 1.00 9.33 H new ATOM 0 HG12 VAL A 14 23.460 26.425 5.530 1.00 9.33 H new ATOM 0 HG13 VAL A 14 22.008 25.556 4.976 1.00 9.33 H new ATOM 0 HG21 VAL A 14 23.467 23.406 3.347 1.00 5.86 H new ATOM 0 HG22 VAL A 14 22.041 24.323 2.805 1.00 5.86 H new ATOM 0 HG23 VAL A 14 23.518 24.306 1.812 1.00 5.86 H new ATOM 223 N VAL A 15 22.807 28.792 4.169 1.00 3.11 N ATOM 224 CA VAL A 15 23.235 30.020 4.901 1.00 10.10 C ATOM 225 C VAL A 15 22.491 30.077 6.235 1.00 9.35 C ATOM 226 O VAL A 15 21.336 29.709 6.326 1.00 11.00 O ATOM 227 CB VAL A 15 22.921 31.262 4.042 1.00 10.15 C ATOM 228 CG1 VAL A 15 21.757 32.064 4.642 1.00 15.82 C ATOM 229 CG2 VAL A 15 24.155 32.165 3.970 1.00 10.96 C ATOM 0 H VAL A 15 21.803 28.612 4.181 1.00 3.11 H new ATOM 0 HA VAL A 15 24.308 29.998 5.093 1.00 10.10 H new ATOM 0 HB VAL A 15 22.642 30.922 3.045 1.00 10.15 H new ATOM 0 HG11 VAL A 15 21.555 32.935 4.018 1.00 15.82 H new ATOM 0 HG12 VAL A 15 20.867 31.436 4.687 1.00 15.82 H new ATOM 0 HG13 VAL A 15 22.021 32.392 5.647 1.00 15.82 H new ATOM 0 HG21 VAL A 15 23.930 33.041 3.362 1.00 10.96 H new ATOM 0 HG22 VAL A 15 24.433 32.482 4.975 1.00 10.96 H new ATOM 0 HG23 VAL A 15 24.982 31.615 3.521 1.00 10.96 H new ATOM 239 N VAL A 16 23.154 30.511 7.274 1.00 8.87 N ATOM 240 CA VAL A 16 22.498 30.564 8.609 1.00 5.41 C ATOM 241 C VAL A 16 22.585 31.970 9.216 1.00 6.62 C ATOM 242 O VAL A 16 23.655 32.526 9.373 1.00 8.94 O ATOM 243 CB VAL A 16 23.206 29.578 9.537 1.00 7.47 C ATOM 244 CG1 VAL A 16 22.467 29.492 10.882 1.00 5.97 C ATOM 245 CG2 VAL A 16 23.246 28.199 8.869 1.00 5.31 C ATOM 0 H VAL A 16 24.122 30.831 7.254 1.00 8.87 H new ATOM 0 HA VAL A 16 21.445 30.306 8.493 1.00 5.41 H new ATOM 0 HB VAL A 16 24.223 29.922 9.723 1.00 7.47 H new ATOM 0 HG11 VAL A 16 22.981 28.786 11.535 1.00 5.97 H new ATOM 0 HG12 VAL A 16 22.451 30.475 11.352 1.00 5.97 H new ATOM 0 HG13 VAL A 16 21.445 29.153 10.714 1.00 5.97 H new ATOM 0 HG21 VAL A 16 23.750 27.491 9.526 1.00 5.31 H new ATOM 0 HG22 VAL A 16 22.229 27.857 8.679 1.00 5.31 H new ATOM 0 HG23 VAL A 16 23.788 28.267 7.926 1.00 5.31 H new ATOM 255 N PHE A 17 21.461 32.527 9.598 1.00 5.51 N ATOM 256 CA PHE A 17 21.459 33.872 10.244 1.00 5.80 C ATOM 257 C PHE A 17 21.524 33.658 11.755 1.00 7.23 C ATOM 258 O PHE A 17 20.669 33.017 12.334 1.00 5.39 O ATOM 259 CB PHE A 17 20.172 34.616 9.875 1.00 5.73 C ATOM 260 CG PHE A 17 20.209 34.951 8.405 1.00 9.73 C ATOM 261 CD1 PHE A 17 19.907 33.967 7.459 1.00 8.16 C ATOM 262 CD2 PHE A 17 20.561 36.240 7.990 1.00 6.14 C ATOM 263 CE1 PHE A 17 19.955 34.272 6.095 1.00 9.93 C ATOM 264 CE2 PHE A 17 20.613 36.544 6.626 1.00 5.88 C ATOM 265 CZ PHE A 17 20.309 35.560 5.678 1.00 5.73 C ATOM 0 H PHE A 17 20.540 32.102 9.488 1.00 5.51 H new ATOM 0 HA PHE A 17 22.309 34.465 9.907 1.00 5.80 H new ATOM 0 HB2 PHE A 17 19.302 33.999 10.100 1.00 5.73 H new ATOM 0 HB3 PHE A 17 20.079 35.526 10.467 1.00 5.73 H new ATOM 0 HD1 PHE A 17 19.637 32.972 7.781 1.00 8.16 H new ATOM 0 HD2 PHE A 17 20.792 36.999 8.722 1.00 6.14 H new ATOM 0 HE1 PHE A 17 19.719 33.513 5.363 1.00 9.93 H new ATOM 0 HE2 PHE A 17 20.888 37.538 6.304 1.00 5.88 H new ATOM 0 HZ PHE A 17 20.348 35.795 4.625 1.00 5.73 H new ATOM 275 N ILE A 18 22.550 34.150 12.395 1.00 8.64 N ATOM 276 CA ILE A 18 22.696 33.929 13.865 1.00 6.83 C ATOM 277 C ILE A 18 22.954 35.239 14.600 1.00 10.62 C ATOM 278 O ILE A 18 22.938 36.315 14.035 1.00 6.74 O ATOM 279 CB ILE A 18 23.898 33.007 14.098 1.00 6.39 C ATOM 280 CG1 ILE A 18 25.111 33.552 13.335 1.00 3.56 C ATOM 281 CG2 ILE A 18 23.576 31.590 13.609 1.00 2.18 C ATOM 282 CD1 ILE A 18 26.378 32.845 13.822 1.00 8.36 C ATOM 0 H ILE A 18 23.295 34.697 11.964 1.00 8.64 H new ATOM 0 HA ILE A 18 21.772 33.491 14.243 1.00 6.83 H new ATOM 0 HB ILE A 18 24.122 32.971 15.164 1.00 6.39 H new ATOM 0 HG12 ILE A 18 24.982 33.394 12.264 1.00 3.56 H new ATOM 0 HG13 ILE A 18 25.199 34.627 13.490 1.00 3.56 H new ATOM 0 HG21 ILE A 18 24.436 30.942 13.779 1.00 2.18 H new ATOM 0 HG22 ILE A 18 22.717 31.203 14.156 1.00 2.18 H new ATOM 0 HG23 ILE A 18 23.346 31.616 12.544 1.00 2.18 H new ATOM 0 HD11 ILE A 18 27.241 33.231 13.280 1.00 8.36 H new ATOM 0 HD12 ILE A 18 26.508 33.026 14.889 1.00 8.36 H new ATOM 0 HD13 ILE A 18 26.288 31.773 13.644 1.00 8.36 H new ATOM 294 N LYS A 19 23.219 35.122 15.869 1.00 12.12 N ATOM 295 CA LYS A 19 23.524 36.294 16.726 1.00 15.62 C ATOM 296 C LYS A 19 24.542 35.806 17.759 1.00 16.36 C ATOM 297 O LYS A 19 24.164 35.328 18.809 1.00 13.35 O ATOM 298 CB LYS A 19 22.257 36.763 17.452 1.00 18.25 C ATOM 299 CG LYS A 19 21.360 37.561 16.491 1.00 25.24 C ATOM 300 CD LYS A 19 20.665 38.698 17.247 1.00 30.64 C ATOM 301 CE LYS A 19 19.674 38.112 18.252 1.00 31.75 C ATOM 302 NZ LYS A 19 19.231 39.180 19.188 1.00 38.73 N ATOM 0 H LYS A 19 23.237 34.229 16.362 1.00 12.12 H new ATOM 0 HA LYS A 19 23.904 37.127 16.134 1.00 15.62 H new ATOM 0 HB2 LYS A 19 21.712 35.903 17.840 1.00 18.25 H new ATOM 0 HB3 LYS A 19 22.527 37.382 18.308 1.00 18.25 H new ATOM 0 HG2 LYS A 19 21.958 37.967 15.675 1.00 25.24 H new ATOM 0 HG3 LYS A 19 20.616 36.902 16.043 1.00 25.24 H new ATOM 0 HD2 LYS A 19 21.404 39.310 17.764 1.00 30.64 H new ATOM 0 HD3 LYS A 19 20.145 39.350 16.546 1.00 30.64 H new ATOM 0 HE2 LYS A 19 18.815 37.692 17.729 1.00 31.75 H new ATOM 0 HE3 LYS A 19 20.140 37.297 18.806 1.00 31.75 H new ATOM 0 HZ1 LYS A 19 18.556 38.783 19.873 1.00 38.73 H new ATOM 0 HZ2 LYS A 19 20.055 39.561 19.695 1.00 38.73 H new ATOM 0 HZ3 LYS A 19 18.771 39.943 18.651 1.00 38.73 H new ATOM 316 N PRO A 20 25.805 35.883 17.415 1.00 17.46 N ATOM 317 CA PRO A 20 26.881 35.390 18.292 1.00 20.12 C ATOM 318 C PRO A 20 26.664 35.855 19.734 1.00 24.12 C ATOM 319 O PRO A 20 27.297 36.774 20.212 1.00 24.58 O ATOM 320 CB PRO A 20 28.165 35.956 17.677 1.00 20.63 C ATOM 321 CG PRO A 20 27.805 36.451 16.252 1.00 18.08 C ATOM 322 CD PRO A 20 26.271 36.480 16.149 1.00 17.14 C ATOM 0 HA PRO A 20 26.918 34.302 18.351 1.00 20.12 H new ATOM 0 HB2 PRO A 20 28.555 36.774 18.283 1.00 20.63 H new ATOM 0 HB3 PRO A 20 28.942 35.192 17.635 1.00 20.63 H new ATOM 0 HG2 PRO A 20 28.220 37.443 16.074 1.00 18.08 H new ATOM 0 HG3 PRO A 20 28.228 35.788 15.497 1.00 18.08 H new ATOM 0 HD2 PRO A 20 25.900 37.498 16.030 1.00 17.14 H new ATOM 0 HD3 PRO A 20 25.920 35.910 15.289 1.00 17.14 H new ATOM 330 N THR A 21 25.768 35.201 20.424 1.00 24.78 N ATOM 331 CA THR A 21 25.466 35.556 21.838 1.00 27.36 C ATOM 332 C THR A 21 24.495 34.517 22.390 1.00 24.99 C ATOM 333 O THR A 21 24.513 34.182 23.558 1.00 26.49 O ATOM 334 CB THR A 21 24.809 36.938 21.901 1.00 28.64 C ATOM 335 OG1 THR A 21 25.559 37.857 21.119 1.00 30.99 O ATOM 336 CG2 THR A 21 24.760 37.418 23.352 1.00 34.82 C ATOM 0 H THR A 21 25.223 34.420 20.058 1.00 24.78 H new ATOM 0 HA THR A 21 26.387 35.574 22.421 1.00 27.36 H new ATOM 0 HB THR A 21 23.794 36.874 21.509 1.00 28.64 H new ATOM 0 HG1 THR A 21 26.507 37.609 21.142 1.00 30.99 H new ATOM 0 HG21 THR A 21 24.292 38.402 23.394 1.00 34.82 H new ATOM 0 HG22 THR A 21 24.180 36.714 23.949 1.00 34.82 H new ATOM 0 HG23 THR A 21 25.773 37.481 23.749 1.00 34.82 H new ATOM 344 N CYS A 22 23.641 34.007 21.543 1.00 21.46 N ATOM 345 CA CYS A 22 22.654 32.991 21.989 1.00 17.23 C ATOM 346 C CYS A 22 23.190 31.582 21.648 1.00 14.71 C ATOM 347 O CYS A 22 23.540 31.328 20.512 1.00 13.71 O ATOM 348 CB CYS A 22 21.333 33.244 21.256 1.00 15.71 C ATOM 349 SG CYS A 22 19.948 32.973 22.388 1.00 9.78 S ATOM 0 H CYS A 22 23.587 34.255 20.555 1.00 21.46 H new ATOM 0 HA CYS A 22 22.494 33.058 23.065 1.00 17.23 H new ATOM 0 HB2 CYS A 22 21.308 34.264 20.873 1.00 15.71 H new ATOM 0 HB3 CYS A 22 21.249 32.578 20.397 1.00 15.71 H new ATOM 354 N PRO A 23 23.254 30.706 22.638 1.00 13.86 N ATOM 355 CA PRO A 23 23.759 29.326 22.437 1.00 13.47 C ATOM 356 C PRO A 23 22.972 28.572 21.349 1.00 8.59 C ATOM 357 O PRO A 23 23.485 27.650 20.747 1.00 10.79 O ATOM 358 CB PRO A 23 23.591 28.642 23.801 1.00 11.94 C ATOM 359 CG PRO A 23 23.130 29.715 24.810 1.00 7.24 C ATOM 360 CD PRO A 23 22.849 31.008 24.026 1.00 12.58 C ATOM 0 HA PRO A 23 24.794 29.331 22.095 1.00 13.47 H new ATOM 0 HB2 PRO A 23 22.859 27.837 23.738 1.00 11.94 H new ATOM 0 HB3 PRO A 23 24.531 28.193 24.122 1.00 11.94 H new ATOM 0 HG2 PRO A 23 22.234 29.385 25.336 1.00 7.24 H new ATOM 0 HG3 PRO A 23 23.898 29.885 25.564 1.00 7.24 H new ATOM 0 HD2 PRO A 23 21.795 31.281 24.080 1.00 12.58 H new ATOM 0 HD3 PRO A 23 23.417 31.846 24.430 1.00 12.58 H new ATOM 368 N TYR A 24 21.745 28.943 21.087 1.00 0.00 N ATOM 369 CA TYR A 24 20.965 28.221 20.033 1.00 0.00 C ATOM 370 C TYR A 24 21.550 28.562 18.671 1.00 0.00 C ATOM 371 O TYR A 24 21.649 27.725 17.795 1.00 0.00 O ATOM 372 CB TYR A 24 19.503 28.656 20.067 1.00 0.00 C ATOM 373 CG TYR A 24 18.770 27.900 21.142 1.00 0.00 C ATOM 374 CD1 TYR A 24 18.887 28.291 22.478 1.00 0.00 C ATOM 375 CD2 TYR A 24 17.963 26.809 20.796 1.00 0.00 C ATOM 376 CE1 TYR A 24 18.191 27.595 23.473 1.00 0.00 C ATOM 377 CE2 TYR A 24 17.269 26.111 21.790 1.00 0.00 C ATOM 378 CZ TYR A 24 17.384 26.504 23.130 1.00 0.00 C ATOM 379 OH TYR A 24 16.695 25.820 24.111 1.00 0.00 O ATOM 0 H TYR A 24 21.252 29.706 21.551 1.00 0.00 H new ATOM 0 HA TYR A 24 21.022 27.148 20.216 1.00 0.00 H new ATOM 0 HB2 TYR A 24 19.437 29.728 20.254 1.00 0.00 H new ATOM 0 HB3 TYR A 24 19.037 28.473 19.099 1.00 0.00 H new ATOM 0 HD1 TYR A 24 19.514 29.130 22.743 1.00 0.00 H new ATOM 0 HD2 TYR A 24 17.877 26.507 19.763 1.00 0.00 H new ATOM 0 HE1 TYR A 24 18.277 27.900 24.506 1.00 0.00 H new ATOM 0 HE2 TYR A 24 16.645 25.270 21.525 1.00 0.00 H new ATOM 0 HH TYR A 24 16.182 25.091 23.703 1.00 0.00 H new ATOM 389 N SER A 25 21.951 29.781 18.488 1.00 0.00 N ATOM 390 CA SER A 25 22.547 30.162 17.187 1.00 0.00 C ATOM 391 C SER A 25 23.847 29.379 17.040 1.00 0.00 C ATOM 392 O SER A 25 24.205 28.931 15.970 1.00 0.00 O ATOM 393 CB SER A 25 22.833 31.668 17.173 1.00 0.00 C ATOM 394 OG SER A 25 22.225 32.269 18.308 1.00 0.00 O ATOM 0 H SER A 25 21.893 30.528 19.180 1.00 0.00 H new ATOM 0 HA SER A 25 21.869 29.937 16.364 1.00 0.00 H new ATOM 0 HB2 SER A 25 23.908 31.846 17.184 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.445 32.116 16.258 1.00 0.00 H new ATOM 0 HG SER A 25 22.764 32.083 19.105 1.00 0.00 H new ATOM 400 N ARG A 26 24.539 29.192 18.127 1.00 16.21 N ATOM 401 CA ARG A 26 25.806 28.415 18.089 1.00 15.67 C ATOM 402 C ARG A 26 25.489 26.965 17.718 1.00 13.70 C ATOM 403 O ARG A 26 26.173 26.354 16.923 1.00 12.41 O ATOM 404 CB ARG A 26 26.463 28.455 19.471 1.00 22.04 C ATOM 405 CG ARG A 26 27.260 29.755 19.627 1.00 31.64 C ATOM 406 CD ARG A 26 28.630 29.607 18.961 1.00 43.08 C ATOM 407 NE ARG A 26 29.289 28.350 19.440 1.00 52.93 N ATOM 408 CZ ARG A 26 29.446 28.114 20.716 1.00 57.80 C ATOM 409 NH1 ARG A 26 29.171 29.038 21.595 1.00 58.61 N ATOM 410 NH2 ARG A 26 29.919 26.963 21.111 1.00 59.59 N ATOM 0 H ARG A 26 24.279 29.547 19.047 1.00 16.21 H new ATOM 0 HA ARG A 26 26.484 28.844 17.351 1.00 15.67 H new ATOM 0 HB2 ARG A 26 25.702 28.388 20.248 1.00 22.04 H new ATOM 0 HB3 ARG A 26 27.122 27.596 19.596 1.00 22.04 H new ATOM 0 HG2 ARG A 26 26.714 30.583 19.176 1.00 31.64 H new ATOM 0 HG3 ARG A 26 27.383 29.992 20.684 1.00 31.64 H new ATOM 0 HD2 ARG A 26 28.518 29.580 17.877 1.00 43.08 H new ATOM 0 HD3 ARG A 26 29.255 30.469 19.196 1.00 43.08 H new ATOM 0 HE ARG A 26 29.621 27.667 18.759 1.00 52.93 H new ATOM 0 HH11 ARG A 26 28.832 29.950 21.288 1.00 58.61 H new ATOM 0 HH12 ARG A 26 29.295 28.849 22.590 1.00 58.61 H new ATOM 0 HH21 ARG A 26 30.165 26.250 20.424 1.00 59.59 H new ATOM 0 HH22 ARG A 26 30.042 26.777 22.106 1.00 59.59 H new ATOM 424 N ARG A 27 24.453 26.407 18.288 1.00 0.00 N ATOM 425 CA ARG A 27 24.097 24.997 17.963 1.00 0.00 C ATOM 426 C ARG A 27 24.052 24.839 16.445 1.00 0.00 C ATOM 427 O ARG A 27 24.582 23.895 15.895 1.00 0.00 O ATOM 428 CB ARG A 27 22.723 24.654 18.554 1.00 0.00 C ATOM 429 CG ARG A 27 22.899 24.064 19.956 1.00 0.00 C ATOM 430 CD ARG A 27 21.527 23.849 20.601 1.00 0.00 C ATOM 431 NE ARG A 27 21.686 23.095 21.877 1.00 0.00 N ATOM 432 CZ ARG A 27 20.706 23.055 22.739 1.00 0.00 C ATOM 433 NH1 ARG A 27 19.587 23.676 22.483 1.00 0.00 N ATOM 434 NH2 ARG A 27 20.846 22.396 23.855 1.00 0.00 N ATOM 0 H ARG A 27 23.841 26.866 18.962 1.00 0.00 H new ATOM 0 HA ARG A 27 24.842 24.324 18.388 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.102 25.549 18.600 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.207 23.941 17.911 1.00 0.00 H new ATOM 0 HG2 ARG A 27 23.437 23.118 19.898 1.00 0.00 H new ATOM 0 HG3 ARG A 27 23.500 24.735 20.571 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.049 24.810 20.792 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.876 23.299 19.921 1.00 0.00 H new ATOM 0 HE ARG A 27 22.561 22.610 22.077 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.478 24.192 21.610 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.821 23.645 23.156 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.721 21.912 24.055 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.080 22.365 24.528 1.00 0.00 H new ATOM 448 N ALA A 28 23.433 25.761 15.763 1.00 0.00 N ATOM 449 CA ALA A 28 23.371 25.657 14.283 1.00 0.00 C ATOM 450 C ALA A 28 24.799 25.670 13.732 1.00 0.00 C ATOM 451 O ALA A 28 25.121 24.980 12.787 1.00 0.00 O ATOM 452 CB ALA A 28 22.590 26.843 13.721 1.00 0.00 C ATOM 0 H ALA A 28 22.971 26.576 16.165 1.00 0.00 H new ATOM 0 HA ALA A 28 22.871 24.733 13.993 1.00 0.00 H new ATOM 0 HB1 ALA A 28 22.544 26.767 12.635 1.00 0.00 H new ATOM 0 HB2 ALA A 28 21.579 26.838 14.128 1.00 0.00 H new ATOM 0 HB3 ALA A 28 23.089 27.772 13.999 1.00 0.00 H new ATOM 458 N GLN A 29 25.656 26.454 14.325 1.00 19.83 N ATOM 459 CA GLN A 29 27.066 26.520 13.854 1.00 20.83 C ATOM 460 C GLN A 29 27.791 25.225 14.219 1.00 20.95 C ATOM 461 O GLN A 29 28.509 24.653 13.424 1.00 22.85 O ATOM 462 CB GLN A 29 27.768 27.699 14.537 1.00 21.33 C ATOM 463 CG GLN A 29 27.172 29.026 14.047 1.00 34.02 C ATOM 464 CD GLN A 29 28.225 30.132 14.161 1.00 40.49 C ATOM 465 OE1 GLN A 29 28.346 30.789 15.283 1.00 42.72 O flip ATOM 466 NE2 GLN A 29 28.947 30.400 13.220 1.00 45.49 N flip ATOM 0 H GLN A 29 25.438 27.055 15.120 1.00 19.83 H new ATOM 0 HA GLN A 29 27.082 26.652 12.772 1.00 20.83 H new ATOM 0 HB2 GLN A 29 27.658 27.620 15.619 1.00 21.33 H new ATOM 0 HB3 GLN A 29 28.836 27.670 14.322 1.00 21.33 H new ATOM 0 HG2 GLN A 29 26.842 28.929 13.013 1.00 34.02 H new ATOM 0 HG3 GLN A 29 26.294 29.283 14.639 1.00 34.02 H new ATOM 0 HE21 GLN A 29 28.853 29.887 12.343 1.00 45.49 H new ATOM 0 HE22 GLN A 29 29.646 31.137 13.308 1.00 45.49 H new ATOM 475 N GLU A 30 27.621 24.776 15.426 1.00 22.87 N ATOM 476 CA GLU A 30 28.308 23.533 15.875 1.00 23.32 C ATOM 477 C GLU A 30 27.718 22.304 15.178 1.00 22.32 C ATOM 478 O GLU A 30 28.414 21.344 14.909 1.00 25.42 O ATOM 479 CB GLU A 30 28.126 23.385 17.386 1.00 24.18 C ATOM 480 CG GLU A 30 28.729 24.600 18.096 1.00 32.27 C ATOM 481 CD GLU A 30 30.255 24.494 18.096 1.00 34.97 C ATOM 482 OE1 GLU A 30 30.757 23.415 17.826 1.00 34.69 O ATOM 483 OE2 GLU A 30 30.898 25.495 18.365 1.00 32.92 O ATOM 0 H GLU A 30 27.030 25.219 16.130 1.00 22.87 H new ATOM 0 HA GLU A 30 29.366 23.604 15.621 1.00 23.32 H new ATOM 0 HB2 GLU A 30 27.067 23.298 17.628 1.00 24.18 H new ATOM 0 HB3 GLU A 30 28.609 22.471 17.733 1.00 24.18 H new ATOM 0 HG2 GLU A 30 28.419 25.517 17.595 1.00 32.27 H new ATOM 0 HG3 GLU A 30 28.359 24.655 19.120 1.00 32.27 H new ATOM 490 N ILE A 31 26.442 22.303 14.909 1.00 0.00 N ATOM 491 CA ILE A 31 25.825 21.107 14.264 1.00 0.00 C ATOM 492 C ILE A 31 26.133 21.078 12.759 1.00 0.00 C ATOM 493 O ILE A 31 26.699 20.125 12.263 1.00 0.00 O ATOM 494 CB ILE A 31 24.309 21.114 14.519 1.00 0.00 C ATOM 495 CG1 ILE A 31 23.736 19.701 14.326 1.00 0.00 C ATOM 496 CG2 ILE A 31 23.602 22.094 13.578 1.00 0.00 C ATOM 497 CD1 ILE A 31 24.001 19.192 12.903 1.00 0.00 C ATOM 0 H ILE A 31 25.802 23.073 15.106 1.00 0.00 H new ATOM 0 HA ILE A 31 26.252 20.204 14.701 1.00 0.00 H new ATOM 0 HB ILE A 31 24.137 21.436 15.546 1.00 0.00 H new ATOM 0 HG12 ILE A 31 24.185 19.020 15.049 1.00 0.00 H new ATOM 0 HG13 ILE A 31 22.663 19.710 14.519 1.00 0.00 H new ATOM 0 HG21 ILE A 31 22.530 22.081 13.777 1.00 0.00 H new ATOM 0 HG22 ILE A 31 23.990 23.100 13.742 1.00 0.00 H new ATOM 0 HG23 ILE A 31 23.782 21.800 12.544 1.00 0.00 H new ATOM 0 HD11 ILE A 31 23.586 18.190 12.792 1.00 0.00 H new ATOM 0 HD12 ILE A 31 23.530 19.862 12.183 1.00 0.00 H new ATOM 0 HD13 ILE A 31 25.075 19.162 12.722 1.00 0.00 H new ATOM 509 N LEU A 32 25.775 22.095 12.023 1.00 16.72 N ATOM 510 CA LEU A 32 26.061 22.080 10.565 1.00 15.05 C ATOM 511 C LEU A 32 27.563 21.955 10.343 1.00 15.55 C ATOM 512 O LEU A 32 28.012 21.537 9.295 1.00 17.28 O ATOM 513 CB LEU A 32 25.529 23.367 9.925 1.00 12.57 C ATOM 514 CG LEU A 32 24.102 23.138 9.398 1.00 8.75 C ATOM 515 CD1 LEU A 32 23.289 24.428 9.530 1.00 10.68 C ATOM 516 CD2 LEU A 32 24.164 22.718 7.923 1.00 12.45 C ATOM 0 H LEU A 32 25.300 22.929 12.368 1.00 16.72 H new ATOM 0 HA LEU A 32 25.565 21.227 10.101 1.00 15.05 H new ATOM 0 HB2 LEU A 32 25.531 24.175 10.657 1.00 12.57 H new ATOM 0 HB3 LEU A 32 26.183 23.675 9.109 1.00 12.57 H new ATOM 0 HG LEU A 32 23.623 22.351 9.981 1.00 8.75 H new ATOM 0 HD11 LEU A 32 22.279 24.261 9.156 1.00 10.68 H new ATOM 0 HD12 LEU A 32 23.243 24.724 10.578 1.00 10.68 H new ATOM 0 HD13 LEU A 32 23.765 25.219 8.950 1.00 10.68 H new ATOM 0 HD21 LEU A 32 23.153 22.555 7.548 1.00 12.45 H new ATOM 0 HD22 LEU A 32 24.645 23.504 7.341 1.00 12.45 H new ATOM 0 HD23 LEU A 32 24.738 21.796 7.831 1.00 12.45 H new ATOM 528 N SER A 33 28.347 22.295 11.322 1.00 16.31 N ATOM 529 CA SER A 33 29.815 22.171 11.157 1.00 18.98 C ATOM 530 C SER A 33 30.159 20.690 10.989 1.00 18.49 C ATOM 531 O SER A 33 31.192 20.335 10.458 1.00 21.34 O ATOM 532 CB SER A 33 30.513 22.721 12.399 1.00 19.20 C ATOM 533 OG SER A 33 30.541 24.140 12.332 1.00 24.11 O ATOM 0 H SER A 33 28.036 22.652 12.225 1.00 16.31 H new ATOM 0 HA SER A 33 30.146 22.733 10.284 1.00 18.98 H new ATOM 0 HB2 SER A 33 29.988 22.398 13.298 1.00 19.20 H new ATOM 0 HB3 SER A 33 31.528 22.328 12.464 1.00 19.20 H new ATOM 0 HG SER A 33 29.901 24.511 12.975 1.00 24.11 H new ATOM 539 N GLN A 34 29.295 19.824 11.448 1.00 20.00 N ATOM 540 CA GLN A 34 29.555 18.364 11.329 1.00 24.71 C ATOM 541 C GLN A 34 28.917 17.822 10.046 1.00 23.33 C ATOM 542 O GLN A 34 29.048 16.656 9.726 1.00 26.27 O ATOM 543 CB GLN A 34 28.959 17.657 12.545 1.00 28.15 C ATOM 544 CG GLN A 34 29.490 18.315 13.820 1.00 37.01 C ATOM 545 CD GLN A 34 31.014 18.176 13.877 1.00 41.74 C ATOM 546 OE1 GLN A 34 31.532 17.081 13.972 1.00 44.07 O ATOM 547 NE2 GLN A 34 31.759 19.247 13.822 1.00 41.20 N ATOM 0 H GLN A 34 28.416 20.069 11.903 1.00 20.00 H new ATOM 0 HA GLN A 34 30.629 18.184 11.287 1.00 24.71 H new ATOM 0 HB2 GLN A 34 27.871 17.715 12.517 1.00 28.15 H new ATOM 0 HB3 GLN A 34 29.222 16.599 12.531 1.00 28.15 H new ATOM 0 HG2 GLN A 34 29.210 19.368 13.841 1.00 37.01 H new ATOM 0 HG3 GLN A 34 29.040 17.848 14.696 1.00 37.01 H new ATOM 0 HE21 GLN A 34 31.325 20.167 13.742 1.00 41.20 H new ATOM 0 HE22 GLN A 34 32.775 19.164 13.859 1.00 41.20 H new ATOM 556 N LEU A 35 28.233 18.651 9.298 1.00 19.63 N ATOM 557 CA LEU A 35 27.604 18.161 8.046 1.00 15.93 C ATOM 558 C LEU A 35 28.614 18.298 6.892 1.00 13.36 C ATOM 559 O LEU A 35 29.202 19.348 6.721 1.00 16.12 O ATOM 560 CB LEU A 35 26.361 19.007 7.734 1.00 13.69 C ATOM 561 CG LEU A 35 25.148 18.504 8.537 1.00 11.57 C ATOM 562 CD1 LEU A 35 23.940 19.405 8.247 1.00 11.03 C ATOM 563 CD2 LEU A 35 24.810 17.055 8.147 1.00 16.28 C ATOM 0 H LEU A 35 28.087 19.639 9.503 1.00 19.63 H new ATOM 0 HA LEU A 35 27.313 17.117 8.164 1.00 15.93 H new ATOM 0 HB2 LEU A 35 26.556 20.052 7.975 1.00 13.69 H new ATOM 0 HB3 LEU A 35 26.142 18.962 6.667 1.00 13.69 H new ATOM 0 HG LEU A 35 25.389 18.535 9.600 1.00 11.57 H new ATOM 0 HD11 LEU A 35 23.078 19.052 8.814 1.00 11.03 H new ATOM 0 HD12 LEU A 35 24.172 20.429 8.539 1.00 11.03 H new ATOM 0 HD13 LEU A 35 23.711 19.374 7.182 1.00 11.03 H new ATOM 0 HD21 LEU A 35 23.950 16.714 8.724 1.00 16.28 H new ATOM 0 HD22 LEU A 35 24.575 17.010 7.084 1.00 16.28 H new ATOM 0 HD23 LEU A 35 25.665 16.413 8.357 1.00 16.28 H new ATOM 575 N PRO A 36 28.796 17.237 6.133 1.00 16.38 N ATOM 576 CA PRO A 36 29.740 17.248 5.001 1.00 17.59 C ATOM 577 C PRO A 36 29.216 18.166 3.896 1.00 19.11 C ATOM 578 O PRO A 36 28.861 17.729 2.820 1.00 21.54 O ATOM 579 CB PRO A 36 29.790 15.789 4.520 1.00 16.71 C ATOM 580 CG PRO A 36 28.619 15.047 5.202 1.00 16.59 C ATOM 581 CD PRO A 36 28.098 15.950 6.329 1.00 15.74 C ATOM 0 HA PRO A 36 30.727 17.618 5.279 1.00 17.59 H new ATOM 0 HB2 PRO A 36 29.699 15.738 3.435 1.00 16.71 H new ATOM 0 HB3 PRO A 36 30.743 15.329 4.782 1.00 16.71 H new ATOM 0 HG2 PRO A 36 27.828 14.835 4.483 1.00 16.59 H new ATOM 0 HG3 PRO A 36 28.952 14.089 5.601 1.00 16.59 H new ATOM 0 HD2 PRO A 36 27.017 16.073 6.269 1.00 15.74 H new ATOM 0 HD3 PRO A 36 28.317 15.526 7.309 1.00 15.74 H new ATOM 589 N ILE A 37 29.169 19.437 4.156 1.00 0.00 N ATOM 590 CA ILE A 37 28.677 20.392 3.127 1.00 0.00 C ATOM 591 C ILE A 37 29.808 20.675 2.142 1.00 0.00 C ATOM 592 O ILE A 37 30.969 20.626 2.491 1.00 0.00 O ATOM 593 CB ILE A 37 28.235 21.695 3.799 1.00 0.00 C ATOM 594 CG1 ILE A 37 27.004 21.408 4.682 1.00 0.00 C ATOM 595 CG2 ILE A 37 27.904 22.739 2.717 1.00 0.00 C ATOM 596 CD1 ILE A 37 25.711 21.581 3.879 1.00 0.00 C ATOM 0 H ILE A 37 29.451 19.860 5.040 1.00 0.00 H new ATOM 0 HA ILE A 37 27.825 19.963 2.599 1.00 0.00 H new ATOM 0 HB ILE A 37 29.034 22.091 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 37 27.061 20.393 5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 26.999 22.082 5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 37 27.589 23.668 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 37 28.789 22.925 2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 37 27.100 22.364 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 37 24.854 21.374 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 37 25.648 22.604 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 37 25.710 20.889 3.037 1.00 0.00 H new ATOM 608 N LYS A 38 29.481 20.951 0.910 1.00 12.68 N ATOM 609 CA LYS A 38 30.540 21.215 -0.097 1.00 12.78 C ATOM 610 C LYS A 38 31.483 22.313 0.400 1.00 14.66 C ATOM 611 O LYS A 38 31.462 22.692 1.554 1.00 13.94 O ATOM 612 CB LYS A 38 29.896 21.635 -1.418 1.00 11.68 C ATOM 613 CG LYS A 38 29.010 20.497 -1.945 1.00 12.28 C ATOM 614 CD LYS A 38 29.077 20.454 -3.474 1.00 13.74 C ATOM 615 CE LYS A 38 28.052 19.450 -4.001 1.00 20.88 C ATOM 616 NZ LYS A 38 27.941 19.586 -5.481 1.00 29.41 N ATOM 0 H LYS A 38 28.525 21.005 0.559 1.00 12.68 H new ATOM 0 HA LYS A 38 31.119 20.305 -0.252 1.00 12.78 H new ATOM 0 HB2 LYS A 38 29.300 22.536 -1.273 1.00 11.68 H new ATOM 0 HB3 LYS A 38 30.667 21.877 -2.149 1.00 11.68 H new ATOM 0 HG2 LYS A 38 29.340 19.545 -1.530 1.00 12.28 H new ATOM 0 HG3 LYS A 38 27.980 20.646 -1.621 1.00 12.28 H new ATOM 0 HD2 LYS A 38 28.877 21.443 -3.885 1.00 13.74 H new ATOM 0 HD3 LYS A 38 30.079 20.171 -3.797 1.00 13.74 H new ATOM 0 HE2 LYS A 38 28.353 18.435 -3.740 1.00 20.88 H new ATOM 0 HE3 LYS A 38 27.082 19.625 -3.535 1.00 20.88 H new ATOM 0 HZ1 LYS A 38 27.244 18.903 -5.841 1.00 29.41 H new ATOM 0 HZ2 LYS A 38 27.635 20.551 -5.719 1.00 29.41 H new ATOM 0 HZ3 LYS A 38 28.866 19.398 -5.917 1.00 29.41 H new ATOM 630 N GLN A 39 32.325 22.804 -0.466 1.00 0.00 N ATOM 631 CA GLN A 39 33.305 23.861 -0.075 1.00 0.00 C ATOM 632 C GLN A 39 32.618 25.045 0.617 1.00 0.00 C ATOM 633 O GLN A 39 31.964 24.898 1.631 1.00 0.00 O ATOM 634 CB GLN A 39 34.043 24.352 -1.324 1.00 0.00 C ATOM 635 CG GLN A 39 34.966 23.244 -1.839 1.00 0.00 C ATOM 636 CD GLN A 39 34.132 22.030 -2.254 1.00 0.00 C ATOM 637 OE1 GLN A 39 33.193 22.155 -3.014 1.00 0.00 O ATOM 638 NE2 GLN A 39 34.440 20.852 -1.783 1.00 0.00 N ATOM 0 H GLN A 39 32.378 22.515 -1.443 1.00 0.00 H new ATOM 0 HA GLN A 39 34.009 23.425 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 39 33.327 24.632 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 39 34.624 25.244 -1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.546 23.606 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 39 35.678 22.961 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.229 20.748 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 39 33.892 20.035 -2.053 1.00 0.00 H new ATOM 647 N GLY A 40 32.792 26.228 0.091 1.00 11.96 N ATOM 648 CA GLY A 40 32.186 27.431 0.725 1.00 8.67 C ATOM 649 C GLY A 40 30.679 27.462 0.488 1.00 10.51 C ATOM 650 O GLY A 40 30.132 28.459 0.059 1.00 15.27 O ATOM 0 H GLY A 40 33.331 26.412 -0.755 1.00 11.96 H new ATOM 0 HA2 GLY A 40 32.391 27.427 1.796 1.00 8.67 H new ATOM 0 HA3 GLY A 40 32.642 28.333 0.317 1.00 8.67 H new ATOM 654 N LEU A 41 30.005 26.389 0.782 1.00 8.78 N ATOM 655 CA LEU A 41 28.522 26.361 0.593 1.00 6.78 C ATOM 656 C LEU A 41 27.851 26.626 1.935 1.00 7.45 C ATOM 657 O LEU A 41 26.748 27.133 2.009 1.00 2.18 O ATOM 658 CB LEU A 41 28.097 24.978 0.088 1.00 6.98 C ATOM 659 CG LEU A 41 27.269 25.103 -1.195 1.00 7.77 C ATOM 660 CD1 LEU A 41 28.208 25.287 -2.390 1.00 7.97 C ATOM 661 CD2 LEU A 41 26.438 23.826 -1.385 1.00 6.68 C ATOM 0 H LEU A 41 30.412 25.527 1.145 1.00 8.78 H new ATOM 0 HA LEU A 41 28.229 27.120 -0.132 1.00 6.78 H new ATOM 0 HB2 LEU A 41 28.980 24.367 -0.101 1.00 6.98 H new ATOM 0 HB3 LEU A 41 27.514 24.468 0.855 1.00 6.98 H new ATOM 0 HG LEU A 41 26.604 25.964 -1.122 1.00 7.77 H new ATOM 0 HD11 LEU A 41 27.621 25.376 -3.304 1.00 7.97 H new ATOM 0 HD12 LEU A 41 28.802 26.191 -2.251 1.00 7.97 H new ATOM 0 HD13 LEU A 41 28.871 24.426 -2.468 1.00 7.97 H new ATOM 0 HD21 LEU A 41 25.846 23.909 -2.297 1.00 6.68 H new ATOM 0 HD22 LEU A 41 27.104 22.967 -1.462 1.00 6.68 H new ATOM 0 HD23 LEU A 41 25.773 23.694 -0.532 1.00 6.68 H new ATOM 673 N LEU A 42 28.520 26.285 2.993 1.00 7.13 N ATOM 674 CA LEU A 42 27.946 26.503 4.345 1.00 6.20 C ATOM 675 C LEU A 42 28.504 27.806 4.906 1.00 5.03 C ATOM 676 O LEU A 42 29.694 28.043 4.878 1.00 5.38 O ATOM 677 CB LEU A 42 28.348 25.336 5.247 1.00 3.82 C ATOM 678 CG LEU A 42 27.870 25.580 6.679 1.00 3.80 C ATOM 679 CD1 LEU A 42 26.346 25.741 6.698 1.00 3.57 C ATOM 680 CD2 LEU A 42 28.272 24.382 7.544 1.00 2.48 C ATOM 0 H LEU A 42 29.448 25.861 2.981 1.00 7.13 H new ATOM 0 HA LEU A 42 26.859 26.562 4.294 1.00 6.20 H new ATOM 0 HB2 LEU A 42 27.919 24.409 4.866 1.00 3.82 H new ATOM 0 HB3 LEU A 42 29.431 25.214 5.234 1.00 3.82 H new ATOM 0 HG LEU A 42 28.326 26.490 7.069 1.00 3.80 H new ATOM 0 HD11 LEU A 42 26.011 25.915 7.721 1.00 3.57 H new ATOM 0 HD12 LEU A 42 26.062 26.589 6.074 1.00 3.57 H new ATOM 0 HD13 LEU A 42 25.880 24.834 6.312 1.00 3.57 H new ATOM 0 HD21 LEU A 42 27.937 24.544 8.568 1.00 2.48 H new ATOM 0 HD22 LEU A 42 27.810 23.477 7.150 1.00 2.48 H new ATOM 0 HD23 LEU A 42 29.356 24.271 7.531 1.00 2.48 H new ATOM 692 N GLU A 43 27.654 28.656 5.405 1.00 5.92 N ATOM 693 CA GLU A 43 28.137 29.951 5.956 1.00 7.54 C ATOM 694 C GLU A 43 27.358 30.299 7.224 1.00 6.00 C ATOM 695 O GLU A 43 26.395 29.649 7.580 1.00 4.97 O ATOM 696 CB GLU A 43 27.924 31.053 4.907 1.00 8.77 C ATOM 697 CG GLU A 43 29.009 32.129 5.045 1.00 16.17 C ATOM 698 CD GLU A 43 30.244 31.717 4.241 1.00 21.65 C ATOM 699 OE1 GLU A 43 30.933 30.808 4.674 1.00 19.19 O ATOM 700 OE2 GLU A 43 30.482 32.321 3.208 1.00 22.03 O ATOM 0 H GLU A 43 26.646 28.511 5.455 1.00 5.92 H new ATOM 0 HA GLU A 43 29.196 29.870 6.199 1.00 7.54 H new ATOM 0 HB2 GLU A 43 27.952 30.623 3.906 1.00 8.77 H new ATOM 0 HB3 GLU A 43 26.938 31.501 5.034 1.00 8.77 H new ATOM 0 HG2 GLU A 43 28.633 33.087 4.687 1.00 16.17 H new ATOM 0 HG3 GLU A 43 29.273 32.262 6.094 1.00 16.17 H new ATOM 707 N PHE A 44 27.771 31.337 7.893 1.00 7.78 N ATOM 708 CA PHE A 44 27.078 31.781 9.133 1.00 9.60 C ATOM 709 C PHE A 44 26.939 33.302 9.060 1.00 6.71 C ATOM 710 O PHE A 44 27.911 34.030 9.108 1.00 6.85 O ATOM 711 CB PHE A 44 27.906 31.372 10.352 1.00 12.09 C ATOM 712 CG PHE A 44 28.300 29.920 10.218 1.00 13.87 C ATOM 713 CD1 PHE A 44 27.356 28.915 10.458 1.00 15.74 C ATOM 714 CD2 PHE A 44 29.607 29.579 9.848 1.00 15.90 C ATOM 715 CE1 PHE A 44 27.719 27.568 10.330 1.00 13.82 C ATOM 716 CE2 PHE A 44 29.970 28.233 9.721 1.00 16.33 C ATOM 717 CZ PHE A 44 29.027 27.228 9.963 1.00 10.85 C ATOM 0 H PHE A 44 28.574 31.907 7.628 1.00 7.78 H new ATOM 0 HA PHE A 44 26.094 31.320 9.223 1.00 9.60 H new ATOM 0 HB2 PHE A 44 28.795 31.997 10.429 1.00 12.09 H new ATOM 0 HB3 PHE A 44 27.330 31.523 11.265 1.00 12.09 H new ATOM 0 HD1 PHE A 44 26.348 29.178 10.742 1.00 15.74 H new ATOM 0 HD2 PHE A 44 30.335 30.355 9.661 1.00 15.90 H new ATOM 0 HE1 PHE A 44 26.991 26.792 10.514 1.00 13.82 H new ATOM 0 HE2 PHE A 44 30.978 27.970 9.436 1.00 16.33 H new ATOM 0 HZ PHE A 44 29.308 26.190 9.867 1.00 10.85 H new ATOM 727 N VAL A 45 25.739 33.783 8.887 1.00 6.10 N ATOM 728 CA VAL A 45 25.527 35.252 8.742 1.00 6.58 C ATOM 729 C VAL A 45 25.171 35.907 10.080 1.00 6.12 C ATOM 730 O VAL A 45 24.051 35.835 10.544 1.00 5.14 O ATOM 731 CB VAL A 45 24.389 35.479 7.746 1.00 5.25 C ATOM 732 CG1 VAL A 45 24.012 36.960 7.715 1.00 2.00 C ATOM 733 CG2 VAL A 45 24.849 35.041 6.355 1.00 2.33 C ATOM 0 H VAL A 45 24.891 33.219 8.839 1.00 6.10 H new ATOM 0 HA VAL A 45 26.453 35.706 8.388 1.00 6.58 H new ATOM 0 HB VAL A 45 23.519 34.897 8.050 1.00 5.25 H new ATOM 0 HG11 VAL A 45 23.201 37.114 7.003 1.00 2.00 H new ATOM 0 HG12 VAL A 45 23.689 37.274 8.707 1.00 2.00 H new ATOM 0 HG13 VAL A 45 24.877 37.549 7.412 1.00 2.00 H new ATOM 0 HG21 VAL A 45 24.043 35.200 5.639 1.00 2.33 H new ATOM 0 HG22 VAL A 45 25.719 35.627 6.058 1.00 2.33 H new ATOM 0 HG23 VAL A 45 25.113 33.984 6.375 1.00 2.33 H new ATOM 743 N ASP A 46 26.118 36.575 10.682 1.00 6.79 N ATOM 744 CA ASP A 46 25.849 37.275 11.970 1.00 6.49 C ATOM 745 C ASP A 46 25.176 38.619 11.667 1.00 9.11 C ATOM 746 O ASP A 46 25.819 39.574 11.281 1.00 7.52 O ATOM 747 CB ASP A 46 27.173 37.510 12.697 1.00 7.84 C ATOM 748 CG ASP A 46 28.028 36.243 12.624 1.00 10.03 C ATOM 749 OD1 ASP A 46 27.522 35.236 12.154 1.00 15.32 O ATOM 750 OD2 ASP A 46 29.173 36.299 13.040 1.00 10.50 O ATOM 0 H ASP A 46 27.072 36.666 10.334 1.00 6.79 H new ATOM 0 HA ASP A 46 25.195 36.672 12.600 1.00 6.49 H new ATOM 0 HB2 ASP A 46 27.705 38.347 12.244 1.00 7.84 H new ATOM 0 HB3 ASP A 46 26.986 37.776 13.737 1.00 7.84 H new ATOM 755 N ILE A 47 23.882 38.693 11.819 1.00 8.21 N ATOM 756 CA ILE A 47 23.159 39.965 11.515 1.00 8.33 C ATOM 757 C ILE A 47 23.605 41.091 12.454 1.00 10.92 C ATOM 758 O ILE A 47 23.137 42.208 12.352 1.00 9.40 O ATOM 759 CB ILE A 47 21.656 39.745 11.660 1.00 6.42 C ATOM 760 CG1 ILE A 47 21.342 39.187 13.050 1.00 6.34 C ATOM 761 CG2 ILE A 47 21.189 38.752 10.597 1.00 3.40 C ATOM 762 CD1 ILE A 47 19.843 39.327 13.323 1.00 7.93 C ATOM 0 H ILE A 47 23.291 37.927 12.141 1.00 8.21 H new ATOM 0 HA ILE A 47 23.395 40.258 10.492 1.00 8.33 H new ATOM 0 HB ILE A 47 21.138 40.696 11.532 1.00 6.42 H new ATOM 0 HG12 ILE A 47 21.638 38.140 13.110 1.00 6.34 H new ATOM 0 HG13 ILE A 47 21.913 39.723 13.808 1.00 6.34 H new ATOM 0 HG21 ILE A 47 20.116 38.591 10.696 1.00 3.40 H new ATOM 0 HG22 ILE A 47 21.406 39.151 9.606 1.00 3.40 H new ATOM 0 HG23 ILE A 47 21.712 37.805 10.729 1.00 3.40 H new ATOM 0 HD11 ILE A 47 19.615 38.931 14.312 1.00 7.93 H new ATOM 0 HD12 ILE A 47 19.562 40.379 13.280 1.00 7.93 H new ATOM 0 HD13 ILE A 47 19.283 38.771 12.571 1.00 7.93 H new ATOM 774 N THR A 48 24.499 40.823 13.368 1.00 13.41 N ATOM 775 CA THR A 48 24.952 41.903 14.296 1.00 16.67 C ATOM 776 C THR A 48 26.190 42.578 13.706 1.00 16.58 C ATOM 777 O THR A 48 26.592 43.645 14.129 1.00 18.03 O ATOM 778 CB THR A 48 25.299 41.303 15.663 1.00 15.80 C ATOM 779 OG1 THR A 48 25.576 42.352 16.581 1.00 21.06 O ATOM 780 CG2 THR A 48 26.528 40.401 15.533 1.00 21.72 C ATOM 0 H THR A 48 24.933 39.911 13.513 1.00 13.41 H new ATOM 0 HA THR A 48 24.154 42.635 14.421 1.00 16.67 H new ATOM 0 HB THR A 48 24.456 40.713 16.024 1.00 15.80 H new ATOM 0 HG1 THR A 48 25.797 41.971 17.456 1.00 21.06 H new ATOM 0 HG21 THR A 48 26.772 39.976 16.507 1.00 21.72 H new ATOM 0 HG22 THR A 48 26.316 39.597 14.829 1.00 21.72 H new ATOM 0 HG23 THR A 48 27.373 40.987 15.171 1.00 21.72 H new ATOM 788 N ALA A 49 26.793 41.964 12.726 1.00 15.36 N ATOM 789 CA ALA A 49 28.002 42.566 12.097 1.00 18.08 C ATOM 790 C ALA A 49 27.574 43.688 11.151 1.00 20.63 C ATOM 791 O ALA A 49 28.373 44.224 10.408 1.00 22.45 O ATOM 792 CB ALA A 49 28.749 41.493 11.303 1.00 18.76 C ATOM 0 H ALA A 49 26.500 41.070 12.333 1.00 15.36 H new ATOM 0 HA ALA A 49 28.655 42.968 12.872 1.00 18.08 H new ATOM 0 HB1 ALA A 49 29.634 41.932 10.842 1.00 18.76 H new ATOM 0 HB2 ALA A 49 29.050 40.688 11.973 1.00 18.76 H new ATOM 0 HB3 ALA A 49 28.096 41.094 10.527 1.00 18.76 H new ATOM 798 N THR A 50 26.317 44.043 11.162 1.00 22.30 N ATOM 799 CA THR A 50 25.836 45.125 10.253 1.00 25.27 C ATOM 800 C THR A 50 24.779 45.967 10.965 1.00 24.34 C ATOM 801 O THR A 50 24.251 46.909 10.411 1.00 25.49 O ATOM 802 CB THR A 50 25.213 44.496 9.002 1.00 22.85 C ATOM 803 OG1 THR A 50 24.916 45.516 8.059 1.00 23.28 O ATOM 804 CG2 THR A 50 23.923 43.762 9.382 1.00 25.63 C ATOM 0 H THR A 50 25.602 43.631 11.761 1.00 22.30 H new ATOM 0 HA THR A 50 26.678 45.758 9.972 1.00 25.27 H new ATOM 0 HB THR A 50 25.916 43.787 8.565 1.00 22.85 H new ATOM 0 HG1 THR A 50 24.596 46.314 8.530 1.00 23.28 H new ATOM 0 HG21 THR A 50 23.482 43.316 8.491 1.00 25.63 H new ATOM 0 HG22 THR A 50 24.150 42.979 10.106 1.00 25.63 H new ATOM 0 HG23 THR A 50 23.218 44.468 9.821 1.00 25.63 H new ATOM 812 N ASN A 51 24.453 45.630 12.181 1.00 0.00 N ATOM 813 CA ASN A 51 23.416 46.412 12.906 1.00 0.00 C ATOM 814 C ASN A 51 22.075 46.180 12.213 1.00 0.00 C ATOM 815 O ASN A 51 21.886 45.189 11.537 1.00 0.00 O ATOM 816 CB ASN A 51 23.777 47.902 12.876 1.00 0.00 C ATOM 817 CG ASN A 51 23.194 48.598 14.109 1.00 0.00 C ATOM 818 OD1 ASN A 51 22.290 48.088 14.739 1.00 0.00 O ATOM 819 ND2 ASN A 51 23.676 49.753 14.479 1.00 0.00 N ATOM 0 H ASN A 51 24.857 44.851 12.701 1.00 0.00 H new ATOM 0 HA ASN A 51 23.357 46.093 13.947 1.00 0.00 H new ATOM 0 HB2 ASN A 51 24.860 48.024 12.856 1.00 0.00 H new ATOM 0 HB3 ASN A 51 23.387 48.362 11.968 1.00 0.00 H new ATOM 0 HD21 ASN A 51 23.293 50.227 15.297 1.00 0.00 H new ATOM 0 HD22 ASN A 51 24.435 50.182 13.950 1.00 0.00 H new ATOM 826 N HIS A 52 21.140 47.078 12.358 1.00 0.00 N ATOM 827 CA HIS A 52 19.829 46.874 11.682 1.00 0.00 C ATOM 828 C HIS A 52 19.265 45.517 12.106 1.00 0.00 C ATOM 829 O HIS A 52 18.337 45.007 11.517 1.00 0.00 O ATOM 830 CB HIS A 52 20.053 46.879 10.163 1.00 0.00 C ATOM 831 CG HIS A 52 19.275 47.996 9.521 1.00 0.00 C ATOM 832 ND1 HIS A 52 18.628 47.839 8.306 1.00 0.00 N ATOM 833 CD2 HIS A 52 19.043 49.293 9.906 1.00 0.00 C ATOM 834 CE1 HIS A 52 18.043 49.011 8.004 1.00 0.00 C ATOM 835 NE2 HIS A 52 18.263 49.933 8.947 1.00 0.00 N ATOM 0 H HIS A 52 21.225 47.933 12.908 1.00 0.00 H new ATOM 0 HA HIS A 52 19.132 47.666 11.956 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.115 46.996 9.946 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.744 45.923 9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.410 49.748 10.814 1.00 0.00 H new ATOM 0 HE1 HIS A 52 17.465 49.187 7.108 1.00 0.00 H new ATOM 0 HE2 HIS A 52 17.931 50.897 8.961 1.00 0.00 H new ATOM 843 N THR A 53 19.843 44.923 13.110 1.00 18.27 N ATOM 844 CA THR A 53 19.378 43.582 13.576 1.00 16.01 C ATOM 845 C THR A 53 17.851 43.474 13.494 1.00 16.57 C ATOM 846 O THR A 53 17.322 42.651 12.778 1.00 18.87 O ATOM 847 CB THR A 53 19.825 43.372 15.029 1.00 15.02 C ATOM 848 OG1 THR A 53 19.948 44.634 15.668 1.00 13.32 O ATOM 849 CG2 THR A 53 21.173 42.652 15.060 1.00 9.59 C ATOM 0 H THR A 53 20.626 45.311 13.635 1.00 18.27 H new ATOM 0 HA THR A 53 19.814 42.818 12.932 1.00 16.01 H new ATOM 0 HB THR A 53 19.084 42.765 15.550 1.00 15.02 H new ATOM 0 HG1 THR A 53 20.232 44.504 16.597 1.00 13.32 H new ATOM 0 HG21 THR A 53 21.484 42.506 16.094 1.00 9.59 H new ATOM 0 HG22 THR A 53 21.079 41.683 14.569 1.00 9.59 H new ATOM 0 HG23 THR A 53 21.918 43.252 14.538 1.00 9.59 H new ATOM 857 N ASN A 54 17.144 44.281 14.233 1.00 13.94 N ATOM 858 CA ASN A 54 15.654 44.197 14.211 1.00 18.93 C ATOM 859 C ASN A 54 15.134 44.294 12.777 1.00 16.34 C ATOM 860 O ASN A 54 14.128 43.705 12.436 1.00 15.61 O ATOM 861 CB ASN A 54 15.071 45.340 15.044 1.00 24.12 C ATOM 862 CG ASN A 54 15.541 45.208 16.494 1.00 35.27 C ATOM 863 OD1 ASN A 54 16.336 44.345 16.810 1.00 45.21 O ATOM 864 ND2 ASN A 54 15.080 46.032 17.394 1.00 37.58 N ATOM 0 H ASN A 54 17.530 44.995 14.851 1.00 13.94 H new ATOM 0 HA ASN A 54 15.348 43.238 14.630 1.00 18.93 H new ATOM 0 HB2 ASN A 54 15.386 46.300 14.635 1.00 24.12 H new ATOM 0 HB3 ASN A 54 13.982 45.317 15.000 1.00 24.12 H new ATOM 0 HD21 ASN A 54 15.387 45.952 18.363 1.00 37.58 H new ATOM 0 HD22 ASN A 54 14.413 46.756 17.128 1.00 37.58 H new ATOM 871 N GLU A 55 15.797 45.028 11.932 1.00 16.09 N ATOM 872 CA GLU A 55 15.314 45.147 10.529 1.00 15.04 C ATOM 873 C GLU A 55 15.413 43.787 9.828 1.00 15.56 C ATOM 874 O GLU A 55 14.496 43.365 9.150 1.00 18.95 O ATOM 875 CB GLU A 55 16.153 46.179 9.787 1.00 18.55 C ATOM 876 CG GLU A 55 16.049 47.521 10.510 1.00 23.55 C ATOM 877 CD GLU A 55 14.602 48.018 10.466 1.00 30.41 C ATOM 878 OE1 GLU A 55 14.244 48.652 9.488 1.00 33.02 O ATOM 879 OE2 GLU A 55 13.879 47.759 11.414 1.00 31.49 O ATOM 0 H GLU A 55 16.647 45.548 12.149 1.00 16.09 H new ATOM 0 HA GLU A 55 14.272 45.468 10.531 1.00 15.04 H new ATOM 0 HB2 GLU A 55 17.193 45.856 9.742 1.00 18.55 H new ATOM 0 HB3 GLU A 55 15.805 46.278 8.759 1.00 18.55 H new ATOM 0 HG2 GLU A 55 16.376 47.414 11.544 1.00 23.55 H new ATOM 0 HG3 GLU A 55 16.709 48.250 10.040 1.00 23.55 H new ATOM 886 N ILE A 56 16.511 43.094 9.979 1.00 9.56 N ATOM 887 CA ILE A 56 16.641 41.767 9.312 1.00 8.91 C ATOM 888 C ILE A 56 15.654 40.782 9.940 1.00 7.70 C ATOM 889 O ILE A 56 14.900 40.132 9.248 1.00 9.84 O ATOM 890 CB ILE A 56 18.071 41.243 9.463 1.00 5.82 C ATOM 891 CG1 ILE A 56 18.999 41.995 8.487 1.00 6.47 C ATOM 892 CG2 ILE A 56 18.104 39.740 9.153 1.00 2.31 C ATOM 893 CD1 ILE A 56 19.601 43.219 9.184 1.00 8.03 C ATOM 0 H ILE A 56 17.317 43.387 10.531 1.00 9.56 H new ATOM 0 HA ILE A 56 16.417 41.874 8.251 1.00 8.91 H new ATOM 0 HB ILE A 56 18.412 41.406 10.485 1.00 5.82 H new ATOM 0 HG12 ILE A 56 19.794 41.333 8.143 1.00 6.47 H new ATOM 0 HG13 ILE A 56 18.439 42.306 7.605 1.00 6.47 H new ATOM 0 HG21 ILE A 56 19.123 39.369 9.261 1.00 2.31 H new ATOM 0 HG22 ILE A 56 17.450 39.211 9.846 1.00 2.31 H new ATOM 0 HG23 ILE A 56 17.763 39.572 8.132 1.00 2.31 H new ATOM 0 HD11 ILE A 56 20.256 43.747 8.491 1.00 8.03 H new ATOM 0 HD12 ILE A 56 18.800 43.885 9.506 1.00 8.03 H new ATOM 0 HD13 ILE A 56 20.176 42.897 10.052 1.00 8.03 H new ATOM 905 N GLN A 57 15.631 40.671 11.241 1.00 7.49 N ATOM 906 CA GLN A 57 14.659 39.727 11.862 1.00 6.88 C ATOM 907 C GLN A 57 13.274 40.150 11.417 1.00 9.50 C ATOM 908 O GLN A 57 12.446 39.341 11.052 1.00 11.03 O ATOM 909 CB GLN A 57 14.735 39.806 13.385 1.00 11.02 C ATOM 910 CG GLN A 57 16.191 39.966 13.817 1.00 12.13 C ATOM 911 CD GLN A 57 16.413 39.233 15.141 1.00 16.77 C ATOM 912 OE1 GLN A 57 16.824 38.089 15.157 1.00 17.49 O ATOM 913 NE2 GLN A 57 16.149 39.847 16.262 1.00 17.84 N ATOM 0 H GLN A 57 16.230 41.182 11.889 1.00 7.49 H new ATOM 0 HA GLN A 57 14.884 38.705 11.558 1.00 6.88 H new ATOM 0 HB2 GLN A 57 14.143 40.647 13.746 1.00 11.02 H new ATOM 0 HB3 GLN A 57 14.311 38.905 13.828 1.00 11.02 H new ATOM 0 HG2 GLN A 57 16.855 39.565 13.051 1.00 12.13 H new ATOM 0 HG3 GLN A 57 16.434 41.023 13.929 1.00 12.13 H new ATOM 0 HE21 GLN A 57 15.804 40.807 16.249 1.00 17.84 H new ATOM 0 HE22 GLN A 57 16.288 39.367 17.151 1.00 17.84 H new ATOM 922 N ASP A 58 13.029 41.426 11.418 1.00 13.48 N ATOM 923 CA ASP A 58 11.712 41.921 10.966 1.00 13.94 C ATOM 924 C ASP A 58 11.495 41.388 9.555 1.00 13.32 C ATOM 925 O ASP A 58 10.395 41.079 9.148 1.00 14.28 O ATOM 926 CB ASP A 58 11.726 43.451 10.950 1.00 12.80 C ATOM 927 CG ASP A 58 11.492 43.984 12.365 1.00 17.19 C ATOM 928 OD1 ASP A 58 11.923 43.331 13.302 1.00 18.84 O ATOM 929 OD2 ASP A 58 10.888 45.036 12.488 1.00 15.13 O ATOM 0 H ASP A 58 13.688 42.147 11.714 1.00 13.48 H new ATOM 0 HA ASP A 58 10.914 41.589 11.630 1.00 13.94 H new ATOM 0 HB2 ASP A 58 12.681 43.812 10.569 1.00 12.80 H new ATOM 0 HB3 ASP A 58 10.953 43.824 10.278 1.00 12.80 H new ATOM 934 N TYR A 59 12.561 41.259 8.813 1.00 12.69 N ATOM 935 CA TYR A 59 12.446 40.719 7.431 1.00 10.10 C ATOM 936 C TYR A 59 12.317 39.195 7.501 1.00 7.75 C ATOM 937 O TYR A 59 11.410 38.615 6.937 1.00 5.81 O ATOM 938 CB TYR A 59 13.683 41.096 6.618 1.00 12.40 C ATOM 939 CG TYR A 59 13.458 40.727 5.172 1.00 12.76 C ATOM 940 CD1 TYR A 59 12.854 41.642 4.302 1.00 11.52 C ATOM 941 CD2 TYR A 59 13.847 39.468 4.705 1.00 6.81 C ATOM 942 CE1 TYR A 59 12.645 41.297 2.961 1.00 8.47 C ATOM 943 CE2 TYR A 59 13.638 39.123 3.365 1.00 10.94 C ATOM 944 CZ TYR A 59 13.035 40.038 2.493 1.00 9.37 C ATOM 945 OH TYR A 59 12.828 39.698 1.173 1.00 12.99 O ATOM 0 H TYR A 59 13.507 41.505 9.106 1.00 12.69 H new ATOM 0 HA TYR A 59 11.566 41.142 6.946 1.00 10.10 H new ATOM 0 HB2 TYR A 59 13.879 42.164 6.707 1.00 12.40 H new ATOM 0 HB3 TYR A 59 14.560 40.577 7.006 1.00 12.40 H new ATOM 0 HD1 TYR A 59 12.550 42.613 4.664 1.00 11.52 H new ATOM 0 HD2 TYR A 59 14.309 38.761 5.379 1.00 6.81 H new ATOM 0 HE1 TYR A 59 12.182 42.004 2.288 1.00 8.47 H new ATOM 0 HE2 TYR A 59 13.942 38.152 3.004 1.00 10.94 H new ATOM 0 HH TYR A 59 12.400 40.446 0.706 1.00 12.99 H new ATOM 955 N LEU A 60 13.210 38.539 8.199 1.00 10.71 N ATOM 956 CA LEU A 60 13.116 37.054 8.307 1.00 11.04 C ATOM 957 C LEU A 60 11.718 36.702 8.798 1.00 10.32 C ATOM 958 O LEU A 60 11.156 35.684 8.452 1.00 14.61 O ATOM 959 CB LEU A 60 14.147 36.532 9.315 1.00 7.24 C ATOM 960 CG LEU A 60 15.560 36.934 8.885 1.00 7.73 C ATOM 961 CD1 LEU A 60 16.554 36.536 9.979 1.00 9.54 C ATOM 962 CD2 LEU A 60 15.930 36.225 7.577 1.00 7.23 C ATOM 0 H LEU A 60 13.993 38.965 8.694 1.00 10.71 H new ATOM 0 HA LEU A 60 13.312 36.600 7.335 1.00 11.04 H new ATOM 0 HB2 LEU A 60 13.933 36.933 10.306 1.00 7.24 H new ATOM 0 HB3 LEU A 60 14.077 35.447 9.389 1.00 7.24 H new ATOM 0 HG LEU A 60 15.595 38.012 8.729 1.00 7.73 H new ATOM 0 HD11 LEU A 60 17.562 36.821 9.676 1.00 9.54 H new ATOM 0 HD12 LEU A 60 16.296 37.046 10.907 1.00 9.54 H new ATOM 0 HD13 LEU A 60 16.513 35.458 10.133 1.00 9.54 H new ATOM 0 HD21 LEU A 60 16.937 36.516 7.278 1.00 7.23 H new ATOM 0 HD22 LEU A 60 15.893 35.146 7.725 1.00 7.23 H new ATOM 0 HD23 LEU A 60 15.223 36.508 6.797 1.00 7.23 H new ATOM 974 N GLN A 61 11.159 37.552 9.605 1.00 10.78 N ATOM 975 CA GLN A 61 9.797 37.305 10.138 1.00 11.72 C ATOM 976 C GLN A 61 8.801 37.181 8.982 1.00 14.05 C ATOM 977 O GLN A 61 8.067 36.218 8.883 1.00 14.24 O ATOM 978 CB GLN A 61 9.411 38.489 11.032 1.00 17.47 C ATOM 979 CG GLN A 61 7.906 38.491 11.304 1.00 25.06 C ATOM 980 CD GLN A 61 7.525 37.207 12.040 1.00 31.26 C ATOM 981 OE1 GLN A 61 8.325 36.654 12.769 1.00 40.45 O ATOM 982 NE2 GLN A 61 6.330 36.706 11.881 1.00 30.05 N ATOM 0 H GLN A 61 11.593 38.419 9.922 1.00 10.78 H new ATOM 0 HA GLN A 61 9.780 36.378 10.712 1.00 11.72 H new ATOM 0 HB2 GLN A 61 9.956 38.433 11.974 1.00 17.47 H new ATOM 0 HB3 GLN A 61 9.700 39.424 10.552 1.00 17.47 H new ATOM 0 HG2 GLN A 61 7.634 39.361 11.902 1.00 25.06 H new ATOM 0 HG3 GLN A 61 7.355 38.564 10.366 1.00 25.06 H new ATOM 0 HE21 GLN A 61 5.659 37.171 11.269 1.00 30.05 H new ATOM 0 HE22 GLN A 61 6.067 35.850 12.369 1.00 30.05 H new ATOM 991 N GLN A 62 8.749 38.157 8.122 1.00 15.71 N ATOM 992 CA GLN A 62 7.774 38.103 6.993 1.00 18.54 C ATOM 993 C GLN A 62 8.138 36.985 6.010 1.00 19.36 C ATOM 994 O GLN A 62 7.298 36.196 5.622 1.00 19.52 O ATOM 995 CB GLN A 62 7.773 39.450 6.263 1.00 25.59 C ATOM 996 CG GLN A 62 6.818 39.400 5.063 1.00 34.08 C ATOM 997 CD GLN A 62 5.415 39.010 5.532 1.00 38.28 C ATOM 998 OE1 GLN A 62 4.886 37.994 5.125 1.00 41.81 O ATOM 999 NE2 GLN A 62 4.785 39.782 6.373 1.00 36.81 N ATOM 0 H GLN A 62 9.337 38.990 8.149 1.00 15.71 H new ATOM 0 HA GLN A 62 6.783 37.896 7.396 1.00 18.54 H new ATOM 0 HB2 GLN A 62 7.469 40.243 6.947 1.00 25.59 H new ATOM 0 HB3 GLN A 62 8.781 39.690 5.925 1.00 25.59 H new ATOM 0 HG2 GLN A 62 6.789 40.371 4.569 1.00 34.08 H new ATOM 0 HG3 GLN A 62 7.179 38.680 4.329 1.00 34.08 H new ATOM 0 HE21 GLN A 62 5.229 40.634 6.714 1.00 36.81 H new ATOM 0 HE22 GLN A 62 3.848 39.534 6.690 1.00 36.81 H new ATOM 1008 N LEU A 63 9.369 36.921 5.583 1.00 17.09 N ATOM 1009 CA LEU A 63 9.759 35.866 4.603 1.00 16.00 C ATOM 1010 C LEU A 63 9.640 34.472 5.222 1.00 11.34 C ATOM 1011 O LEU A 63 9.327 33.512 4.547 1.00 10.68 O ATOM 1012 CB LEU A 63 11.203 36.091 4.150 1.00 19.91 C ATOM 1013 CG LEU A 63 11.567 35.041 3.086 1.00 21.77 C ATOM 1014 CD1 LEU A 63 12.258 35.710 1.896 1.00 21.25 C ATOM 1015 CD2 LEU A 63 12.506 33.990 3.687 1.00 19.51 C ATOM 0 H LEU A 63 10.119 37.550 5.868 1.00 17.09 H new ATOM 0 HA LEU A 63 9.085 35.930 3.749 1.00 16.00 H new ATOM 0 HB2 LEU A 63 11.317 37.095 3.741 1.00 19.91 H new ATOM 0 HB3 LEU A 63 11.880 36.014 5.001 1.00 19.91 H new ATOM 0 HG LEU A 63 10.649 34.560 2.747 1.00 21.77 H new ATOM 0 HD11 LEU A 63 12.510 34.956 1.151 1.00 21.25 H new ATOM 0 HD12 LEU A 63 11.588 36.447 1.454 1.00 21.25 H new ATOM 0 HD13 LEU A 63 13.169 36.204 2.235 1.00 21.25 H new ATOM 0 HD21 LEU A 63 12.759 33.251 2.927 1.00 19.51 H new ATOM 0 HD22 LEU A 63 13.417 34.475 4.039 1.00 19.51 H new ATOM 0 HD23 LEU A 63 12.012 33.496 4.523 1.00 19.51 H new ATOM 1027 N THR A 64 9.894 34.348 6.492 1.00 10.04 N ATOM 1028 CA THR A 64 9.803 33.006 7.147 1.00 8.87 C ATOM 1029 C THR A 64 8.571 32.960 8.041 1.00 10.75 C ATOM 1030 O THR A 64 7.633 32.227 7.792 1.00 11.38 O ATOM 1031 CB THR A 64 11.047 32.758 8.013 1.00 7.78 C ATOM 1032 OG1 THR A 64 10.936 33.496 9.222 1.00 6.36 O ATOM 1033 CG2 THR A 64 12.313 33.186 7.268 1.00 6.96 C ATOM 0 H THR A 64 10.161 35.115 7.109 1.00 10.04 H new ATOM 0 HA THR A 64 9.736 32.241 6.374 1.00 8.87 H new ATOM 0 HB THR A 64 11.114 31.693 8.235 1.00 7.78 H new ATOM 0 HG1 THR A 64 11.350 34.377 9.107 1.00 6.36 H new ATOM 0 HG21 THR A 64 13.184 33.003 7.897 1.00 6.96 H new ATOM 0 HG22 THR A 64 12.404 32.612 6.346 1.00 6.96 H new ATOM 0 HG23 THR A 64 12.254 34.248 7.030 1.00 6.96 H new ATOM 1041 N GLY A 65 8.571 33.732 9.088 1.00 10.19 N ATOM 1042 CA GLY A 65 7.413 33.741 10.021 1.00 13.28 C ATOM 1043 C GLY A 65 7.934 33.876 11.448 1.00 14.66 C ATOM 1044 O GLY A 65 7.386 34.598 12.257 1.00 14.79 O ATOM 0 H GLY A 65 9.331 34.364 9.340 1.00 10.19 H new ATOM 0 HA2 GLY A 65 6.743 34.568 9.784 1.00 13.28 H new ATOM 0 HA3 GLY A 65 6.836 32.823 9.915 1.00 13.28 H new ATOM 1048 N ALA A 66 8.997 33.184 11.762 1.00 12.02 N ATOM 1049 CA ALA A 66 9.575 33.267 13.133 1.00 9.85 C ATOM 1050 C ALA A 66 10.752 34.239 13.136 1.00 14.04 C ATOM 1051 O ALA A 66 11.545 34.276 12.216 1.00 17.81 O ATOM 1052 CB ALA A 66 10.058 31.884 13.566 1.00 13.74 C ATOM 0 H ALA A 66 9.492 32.562 11.123 1.00 12.02 H new ATOM 0 HA ALA A 66 8.812 33.621 13.826 1.00 9.85 H new ATOM 0 HB1 ALA A 66 10.481 31.944 14.569 1.00 13.74 H new ATOM 0 HB2 ALA A 66 9.218 31.189 13.567 1.00 13.74 H new ATOM 0 HB3 ALA A 66 10.820 31.531 12.871 1.00 13.74 H new ATOM 1058 N ARG A 67 10.875 35.015 14.174 1.00 15.81 N ATOM 1059 CA ARG A 67 12.000 35.984 14.276 1.00 16.07 C ATOM 1060 C ARG A 67 13.006 35.450 15.303 1.00 14.37 C ATOM 1061 O ARG A 67 13.728 36.197 15.936 1.00 14.43 O ATOM 1062 CB ARG A 67 11.445 37.334 14.738 1.00 15.97 C ATOM 1063 CG ARG A 67 10.598 37.154 16.012 1.00 17.12 C ATOM 1064 CD ARG A 67 11.282 37.833 17.200 1.00 22.31 C ATOM 1065 NE ARG A 67 11.269 39.308 17.002 1.00 23.80 N ATOM 1066 CZ ARG A 67 11.487 40.096 18.015 1.00 23.98 C ATOM 1067 NH1 ARG A 67 11.705 39.587 19.195 1.00 29.76 N ATOM 1068 NH2 ARG A 67 11.483 41.390 17.848 1.00 21.50 N ATOM 0 H ARG A 67 10.235 35.019 14.968 1.00 15.81 H new ATOM 0 HA ARG A 67 12.494 36.109 13.312 1.00 16.07 H new ATOM 0 HB2 ARG A 67 12.265 38.025 14.933 1.00 15.97 H new ATOM 0 HB3 ARG A 67 10.837 37.775 13.948 1.00 15.97 H new ATOM 0 HG2 ARG A 67 9.606 37.580 15.862 1.00 17.12 H new ATOM 0 HG3 ARG A 67 10.461 36.093 16.220 1.00 17.12 H new ATOM 0 HD2 ARG A 67 10.768 37.575 18.126 1.00 22.31 H new ATOM 0 HD3 ARG A 67 12.308 37.477 17.295 1.00 22.31 H new ATOM 0 HE ARG A 67 11.090 39.699 16.077 1.00 23.80 H new ATOM 0 HH11 ARG A 67 11.704 38.575 19.322 1.00 29.76 H new ATOM 0 HH12 ARG A 67 11.876 40.201 19.991 1.00 29.76 H new ATOM 0 HH21 ARG A 67 11.309 41.784 16.924 1.00 21.50 H new ATOM 0 HH22 ARG A 67 11.654 42.007 18.642 1.00 21.50 H new ATOM 1082 N THR A 68 13.026 34.157 15.485 1.00 13.52 N ATOM 1083 CA THR A 68 13.938 33.531 16.484 1.00 14.97 C ATOM 1084 C THR A 68 15.339 33.309 15.903 1.00 12.85 C ATOM 1085 O THR A 68 15.563 33.390 14.711 1.00 10.80 O ATOM 1086 CB THR A 68 13.348 32.168 16.885 1.00 13.06 C ATOM 1087 OG1 THR A 68 12.122 31.972 16.199 1.00 18.26 O ATOM 1088 CG2 THR A 68 13.104 32.114 18.395 1.00 14.06 C ATOM 0 H THR A 68 12.439 33.498 14.975 1.00 13.52 H new ATOM 0 HA THR A 68 14.027 34.196 17.343 1.00 14.97 H new ATOM 0 HB THR A 68 14.054 31.382 16.618 1.00 13.06 H new ATOM 0 HG1 THR A 68 11.742 31.104 16.449 1.00 18.26 H new ATOM 0 HG21 THR A 68 12.686 31.143 18.662 1.00 14.06 H new ATOM 0 HG22 THR A 68 14.047 32.260 18.921 1.00 14.06 H new ATOM 0 HG23 THR A 68 12.404 32.900 18.679 1.00 14.06 H new ATOM 1096 N VAL A 69 16.278 32.993 16.759 1.00 8.20 N ATOM 1097 CA VAL A 69 17.668 32.719 16.302 1.00 5.92 C ATOM 1098 C VAL A 69 17.953 31.234 16.541 1.00 5.25 C ATOM 1099 O VAL A 69 17.649 30.734 17.598 1.00 5.78 O ATOM 1100 CB VAL A 69 18.660 33.533 17.141 1.00 4.36 C ATOM 1101 CG1 VAL A 69 20.047 33.460 16.510 1.00 2.07 C ATOM 1102 CG2 VAL A 69 18.214 34.993 17.207 1.00 4.08 C ATOM 0 H VAL A 69 16.136 32.913 17.766 1.00 8.20 H new ATOM 0 HA VAL A 69 17.773 32.985 15.250 1.00 5.92 H new ATOM 0 HB VAL A 69 18.693 33.119 18.149 1.00 4.36 H new ATOM 0 HG11 VAL A 69 20.750 34.039 17.108 1.00 2.07 H new ATOM 0 HG12 VAL A 69 20.374 32.421 16.470 1.00 2.07 H new ATOM 0 HG13 VAL A 69 20.009 33.867 15.500 1.00 2.07 H new ATOM 0 HG21 VAL A 69 18.924 35.564 17.805 1.00 4.08 H new ATOM 0 HG22 VAL A 69 18.173 35.407 16.199 1.00 4.08 H new ATOM 0 HG23 VAL A 69 17.226 35.051 17.664 1.00 4.08 H new ATOM 1112 N PRO A 70 18.535 30.558 15.586 1.00 5.33 N ATOM 1113 CA PRO A 70 18.933 31.114 14.274 1.00 6.04 C ATOM 1114 C PRO A 70 17.780 31.083 13.266 1.00 7.79 C ATOM 1115 O PRO A 70 16.627 30.888 13.598 1.00 7.15 O ATOM 1116 CB PRO A 70 20.020 30.136 13.798 1.00 3.22 C ATOM 1117 CG PRO A 70 19.835 28.826 14.604 1.00 6.88 C ATOM 1118 CD PRO A 70 18.881 29.141 15.769 1.00 6.17 C ATOM 0 HA PRO A 70 19.250 32.154 14.355 1.00 6.04 H new ATOM 0 HB2 PRO A 70 19.927 29.947 12.729 1.00 3.22 H new ATOM 0 HB3 PRO A 70 21.013 30.553 13.963 1.00 3.22 H new ATOM 0 HG2 PRO A 70 19.423 28.040 13.971 1.00 6.88 H new ATOM 0 HG3 PRO A 70 20.793 28.465 14.978 1.00 6.88 H new ATOM 0 HD2 PRO A 70 17.994 28.508 15.738 1.00 6.17 H new ATOM 0 HD3 PRO A 70 19.361 28.970 16.733 1.00 6.17 H new ATOM 1126 N ARG A 71 18.138 31.224 12.021 1.00 6.15 N ATOM 1127 CA ARG A 71 17.167 31.158 10.896 1.00 7.10 C ATOM 1128 C ARG A 71 17.929 30.491 9.743 1.00 4.23 C ATOM 1129 O ARG A 71 18.709 31.121 9.055 1.00 6.47 O ATOM 1130 CB ARG A 71 16.716 32.573 10.493 1.00 10.23 C ATOM 1131 CG ARG A 71 15.278 32.529 9.940 1.00 15.67 C ATOM 1132 CD ARG A 71 14.256 32.737 11.066 1.00 20.29 C ATOM 1133 NE ARG A 71 13.961 31.435 11.721 1.00 26.05 N ATOM 1134 CZ ARG A 71 13.421 31.412 12.905 1.00 19.78 C ATOM 1135 NH1 ARG A 71 13.139 32.531 13.512 1.00 22.60 N ATOM 1136 NH2 ARG A 71 13.166 30.270 13.483 1.00 23.53 N ATOM 0 H ARG A 71 19.101 31.388 11.728 1.00 6.15 H new ATOM 0 HA ARG A 71 16.269 30.603 11.166 1.00 7.10 H new ATOM 0 HB2 ARG A 71 16.763 33.238 11.355 1.00 10.23 H new ATOM 0 HB3 ARG A 71 17.392 32.979 9.740 1.00 10.23 H new ATOM 0 HG2 ARG A 71 15.152 33.301 9.181 1.00 15.67 H new ATOM 0 HG3 ARG A 71 15.100 31.570 9.453 1.00 15.67 H new ATOM 0 HD2 ARG A 71 14.646 33.444 11.799 1.00 20.29 H new ATOM 0 HD3 ARG A 71 13.340 33.169 10.663 1.00 20.29 H new ATOM 0 HE ARG A 71 14.182 30.561 11.243 1.00 26.05 H new ATOM 0 HH11 ARG A 71 13.342 33.422 13.059 1.00 22.60 H new ATOM 0 HH12 ARG A 71 12.716 32.515 14.440 1.00 22.60 H new ATOM 0 HH21 ARG A 71 13.390 29.396 13.007 1.00 23.53 H new ATOM 0 HH22 ARG A 71 12.743 30.251 14.411 1.00 23.53 H new ATOM 1150 N VAL A 72 17.751 29.206 9.573 1.00 4.55 N ATOM 1151 CA VAL A 72 18.510 28.463 8.518 1.00 6.53 C ATOM 1152 C VAL A 72 17.793 28.518 7.169 1.00 8.68 C ATOM 1153 O VAL A 72 16.601 28.734 7.091 1.00 6.48 O ATOM 1154 CB VAL A 72 18.653 27.006 8.960 1.00 5.42 C ATOM 1155 CG1 VAL A 72 19.349 26.204 7.858 1.00 3.69 C ATOM 1156 CG2 VAL A 72 19.481 26.949 10.252 1.00 3.35 C ATOM 0 H VAL A 72 17.109 28.635 10.122 1.00 4.55 H new ATOM 0 HA VAL A 72 19.488 28.929 8.395 1.00 6.53 H new ATOM 0 HB VAL A 72 17.668 26.578 9.144 1.00 5.42 H new ATOM 0 HG11 VAL A 72 19.451 25.165 8.173 1.00 3.69 H new ATOM 0 HG12 VAL A 72 18.756 26.250 6.945 1.00 3.69 H new ATOM 0 HG13 VAL A 72 20.337 26.625 7.670 1.00 3.69 H new ATOM 0 HG21 VAL A 72 19.586 25.912 10.571 1.00 3.35 H new ATOM 0 HG22 VAL A 72 20.468 27.374 10.071 1.00 3.35 H new ATOM 0 HG23 VAL A 72 18.978 27.520 11.032 1.00 3.35 H new ATOM 1166 N PHE A 73 18.532 28.331 6.097 1.00 5.39 N ATOM 1167 CA PHE A 73 17.914 28.382 4.739 1.00 6.90 C ATOM 1168 C PHE A 73 18.573 27.381 3.784 1.00 7.16 C ATOM 1169 O PHE A 73 19.504 27.721 3.082 1.00 14.07 O ATOM 1170 CB PHE A 73 18.117 29.776 4.148 1.00 6.44 C ATOM 1171 CG PHE A 73 17.194 30.760 4.817 1.00 9.57 C ATOM 1172 CD1 PHE A 73 17.610 31.443 5.963 1.00 3.78 C ATOM 1173 CD2 PHE A 73 15.923 30.992 4.283 1.00 12.42 C ATOM 1174 CE1 PHE A 73 16.752 32.363 6.576 1.00 6.98 C ATOM 1175 CE2 PHE A 73 15.065 31.909 4.895 1.00 11.45 C ATOM 1176 CZ PHE A 73 15.479 32.595 6.041 1.00 7.54 C ATOM 0 H PHE A 73 19.535 28.146 6.109 1.00 5.39 H new ATOM 0 HA PHE A 73 16.857 28.138 4.848 1.00 6.90 H new ATOM 0 HB2 PHE A 73 19.153 30.089 4.281 1.00 6.44 H new ATOM 0 HB3 PHE A 73 17.925 29.756 3.075 1.00 6.44 H new ATOM 0 HD1 PHE A 73 18.592 31.261 6.375 1.00 3.78 H new ATOM 0 HD2 PHE A 73 15.604 30.462 3.397 1.00 12.42 H new ATOM 0 HE1 PHE A 73 17.071 32.894 7.461 1.00 6.98 H new ATOM 0 HE2 PHE A 73 14.083 32.088 4.483 1.00 11.45 H new ATOM 0 HZ PHE A 73 14.816 33.305 6.514 1.00 7.54 H new ATOM 1186 N ILE A 74 18.076 26.178 3.685 1.00 5.91 N ATOM 1187 CA ILE A 74 18.675 25.240 2.696 1.00 7.08 C ATOM 1188 C ILE A 74 18.228 25.752 1.333 1.00 8.52 C ATOM 1189 O ILE A 74 17.051 25.762 1.032 1.00 6.64 O ATOM 1190 CB ILE A 74 18.153 23.820 2.915 1.00 6.37 C ATOM 1191 CG1 ILE A 74 18.120 23.517 4.416 1.00 6.27 C ATOM 1192 CG2 ILE A 74 19.069 22.821 2.201 1.00 4.80 C ATOM 1193 CD1 ILE A 74 19.485 23.819 5.038 1.00 9.34 C ATOM 0 H ILE A 74 17.298 25.810 4.233 1.00 5.91 H new ATOM 0 HA ILE A 74 19.760 25.201 2.787 1.00 7.08 H new ATOM 0 HB ILE A 74 17.146 23.733 2.508 1.00 6.37 H new ATOM 0 HG12 ILE A 74 17.349 24.117 4.900 1.00 6.27 H new ATOM 0 HG13 ILE A 74 17.860 22.471 4.579 1.00 6.27 H new ATOM 0 HG21 ILE A 74 18.696 21.809 2.358 1.00 4.80 H new ATOM 0 HG22 ILE A 74 19.085 23.041 1.133 1.00 4.80 H new ATOM 0 HG23 ILE A 74 20.079 22.902 2.603 1.00 4.80 H new ATOM 0 HD11 ILE A 74 19.455 23.601 6.106 1.00 9.34 H new ATOM 0 HD12 ILE A 74 20.246 23.200 4.563 1.00 9.34 H new ATOM 0 HD13 ILE A 74 19.728 24.871 4.889 1.00 9.34 H new ATOM 1205 N GLY A 75 19.123 26.250 0.530 1.00 9.27 N ATOM 1206 CA GLY A 75 18.671 26.830 -0.758 1.00 9.68 C ATOM 1207 C GLY A 75 17.722 27.969 -0.382 1.00 12.42 C ATOM 1208 O GLY A 75 17.827 28.522 0.694 1.00 11.15 O ATOM 0 H GLY A 75 20.127 26.280 0.705 1.00 9.27 H new ATOM 0 HA2 GLY A 75 19.515 27.199 -1.340 1.00 9.68 H new ATOM 0 HA3 GLY A 75 18.165 26.083 -1.369 1.00 9.68 H new ATOM 1212 N LYS A 76 16.785 28.322 -1.210 1.00 14.40 N ATOM 1213 CA LYS A 76 15.851 29.413 -0.805 1.00 16.68 C ATOM 1214 C LYS A 76 14.736 28.810 0.054 1.00 16.27 C ATOM 1215 O LYS A 76 13.815 29.489 0.465 1.00 14.00 O ATOM 1216 CB LYS A 76 15.253 30.083 -2.042 1.00 23.46 C ATOM 1217 CG LYS A 76 16.374 30.720 -2.867 1.00 30.10 C ATOM 1218 CD LYS A 76 15.789 31.792 -3.787 1.00 38.66 C ATOM 1219 CE LYS A 76 14.795 31.145 -4.750 1.00 42.17 C ATOM 1220 NZ LYS A 76 14.440 32.114 -5.823 1.00 44.86 N ATOM 0 H LYS A 76 16.623 27.916 -2.131 1.00 14.40 H new ATOM 0 HA LYS A 76 16.393 30.167 -0.234 1.00 16.68 H new ATOM 0 HB2 LYS A 76 14.716 29.349 -2.643 1.00 23.46 H new ATOM 0 HB3 LYS A 76 14.529 30.842 -1.744 1.00 23.46 H new ATOM 0 HG2 LYS A 76 17.120 31.161 -2.206 1.00 30.10 H new ATOM 0 HG3 LYS A 76 16.883 29.958 -3.457 1.00 30.10 H new ATOM 0 HD2 LYS A 76 15.292 32.562 -3.197 1.00 38.66 H new ATOM 0 HD3 LYS A 76 16.586 32.283 -4.345 1.00 38.66 H new ATOM 0 HE2 LYS A 76 15.229 30.245 -5.187 1.00 42.17 H new ATOM 0 HE3 LYS A 76 13.898 30.838 -4.212 1.00 42.17 H new ATOM 0 HZ1 LYS A 76 13.763 31.674 -6.479 1.00 44.86 H new ATOM 0 HZ2 LYS A 76 14.010 32.960 -5.398 1.00 44.86 H new ATOM 0 HZ3 LYS A 76 15.299 32.386 -6.343 1.00 44.86 H new ATOM 1234 N ASP A 77 14.815 27.532 0.323 1.00 0.00 N ATOM 1235 CA ASP A 77 13.766 26.863 1.148 1.00 0.00 C ATOM 1236 C ASP A 77 14.126 26.947 2.637 1.00 0.00 C ATOM 1237 O ASP A 77 15.086 26.356 3.089 1.00 0.00 O ATOM 1238 CB ASP A 77 13.659 25.396 0.727 1.00 0.00 C ATOM 1239 CG ASP A 77 13.658 25.309 -0.800 1.00 0.00 C ATOM 1240 OD1 ASP A 77 12.608 25.513 -1.384 1.00 0.00 O ATOM 1241 OD2 ASP A 77 14.710 25.042 -1.359 1.00 0.00 O ATOM 0 H ASP A 77 15.566 26.920 0.004 1.00 0.00 H new ATOM 0 HA ASP A 77 12.811 27.365 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.494 24.826 1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.746 24.956 1.129 1.00 0.00 H new ATOM 1246 N SER A 78 13.352 27.673 3.399 1.00 0.00 N ATOM 1247 CA SER A 78 13.631 27.796 4.860 1.00 0.00 C ATOM 1248 C SER A 78 13.222 26.505 5.576 1.00 0.00 C ATOM 1249 O SER A 78 12.254 25.869 5.214 1.00 0.00 O ATOM 1250 CB SER A 78 12.830 28.963 5.437 1.00 0.00 C ATOM 1251 OG SER A 78 12.757 28.830 6.851 1.00 0.00 O ATOM 0 H SER A 78 12.535 28.188 3.071 1.00 0.00 H new ATOM 0 HA SER A 78 14.697 27.972 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.303 29.909 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 78 11.827 28.977 5.009 1.00 0.00 H new ATOM 0 HG SER A 78 12.245 29.578 7.224 1.00 0.00 H new ATOM 1257 N ILE A 79 13.941 26.124 6.605 1.00 14.84 N ATOM 1258 CA ILE A 79 13.574 24.882 7.360 1.00 16.24 C ATOM 1259 C ILE A 79 13.088 25.265 8.760 1.00 13.64 C ATOM 1260 O ILE A 79 12.455 24.480 9.438 1.00 15.36 O ATOM 1261 CB ILE A 79 14.783 23.942 7.494 1.00 18.04 C ATOM 1262 CG1 ILE A 79 16.006 24.711 8.044 1.00 18.59 C ATOM 1263 CG2 ILE A 79 15.117 23.330 6.131 1.00 15.93 C ATOM 1264 CD1 ILE A 79 16.055 24.628 9.581 1.00 20.45 C ATOM 0 H ILE A 79 14.763 26.617 6.954 1.00 14.84 H new ATOM 0 HA ILE A 79 12.786 24.366 6.810 1.00 16.24 H new ATOM 0 HB ILE A 79 14.532 23.144 8.193 1.00 18.04 H new ATOM 0 HG12 ILE A 79 16.922 24.296 7.623 1.00 18.59 H new ATOM 0 HG13 ILE A 79 15.956 25.754 7.733 1.00 18.59 H new ATOM 0 HG21 ILE A 79 15.975 22.665 6.231 1.00 15.93 H new ATOM 0 HG22 ILE A 79 14.260 22.764 5.766 1.00 15.93 H new ATOM 0 HG23 ILE A 79 15.355 24.125 5.424 1.00 15.93 H new ATOM 0 HD11 ILE A 79 16.923 25.176 9.947 1.00 20.45 H new ATOM 0 HD12 ILE A 79 15.148 25.065 9.998 1.00 20.45 H new ATOM 0 HD13 ILE A 79 16.129 23.584 9.887 1.00 20.45 H new ATOM 1276 N GLY A 80 13.372 26.466 9.200 1.00 12.42 N ATOM 1277 CA GLY A 80 12.919 26.899 10.560 1.00 13.73 C ATOM 1278 C GLY A 80 14.103 27.449 11.363 1.00 12.94 C ATOM 1279 O GLY A 80 15.032 28.011 10.818 1.00 13.82 O ATOM 0 H GLY A 80 13.898 27.166 8.677 1.00 12.42 H new ATOM 0 HA2 GLY A 80 12.147 27.663 10.468 1.00 13.73 H new ATOM 0 HA3 GLY A 80 12.473 26.056 11.088 1.00 13.73 H new ATOM 1283 N GLY A 81 14.067 27.296 12.662 1.00 12.24 N ATOM 1284 CA GLY A 81 15.175 27.811 13.520 1.00 10.24 C ATOM 1285 C GLY A 81 16.109 26.669 13.912 1.00 11.98 C ATOM 1286 O GLY A 81 16.319 25.735 13.165 1.00 12.42 O ATOM 0 H GLY A 81 13.312 26.833 13.168 1.00 12.24 H new ATOM 0 HA2 GLY A 81 15.733 28.580 12.985 1.00 10.24 H new ATOM 0 HA3 GLY A 81 14.765 28.279 14.415 1.00 10.24 H new ATOM 1290 N SER A 82 16.681 26.748 15.080 1.00 0.00 N ATOM 1291 CA SER A 82 17.616 25.682 15.530 1.00 0.00 C ATOM 1292 C SER A 82 16.844 24.408 15.859 1.00 0.00 C ATOM 1293 O SER A 82 17.030 23.379 15.242 1.00 0.00 O ATOM 1294 CB SER A 82 18.362 26.163 16.774 1.00 0.00 C ATOM 1295 OG SER A 82 18.692 25.045 17.585 1.00 0.00 O ATOM 0 H SER A 82 16.540 27.509 15.745 1.00 0.00 H new ATOM 0 HA SER A 82 18.326 25.467 14.731 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.267 26.697 16.485 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.743 26.864 17.335 1.00 0.00 H new ATOM 0 HG SER A 82 19.172 25.350 18.383 1.00 0.00 H new ATOM 1301 N SER A 83 15.981 24.465 16.830 1.00 0.00 N ATOM 1302 CA SER A 83 15.201 23.253 17.205 1.00 0.00 C ATOM 1303 C SER A 83 14.533 22.680 15.957 1.00 0.00 C ATOM 1304 O SER A 83 14.232 21.506 15.881 1.00 0.00 O ATOM 1305 CB SER A 83 14.137 23.632 18.236 1.00 0.00 C ATOM 1306 OG SER A 83 13.333 22.496 18.521 1.00 0.00 O ATOM 0 H SER A 83 15.780 25.299 17.382 1.00 0.00 H new ATOM 0 HA SER A 83 15.866 22.504 17.636 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.611 23.994 19.148 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.518 24.444 17.855 1.00 0.00 H new ATOM 0 HG SER A 83 12.651 22.736 19.183 1.00 0.00 H new ATOM 1312 N ASP A 84 14.312 23.500 14.973 1.00 12.98 N ATOM 1313 CA ASP A 84 13.677 23.007 13.719 1.00 14.53 C ATOM 1314 C ASP A 84 14.705 22.200 12.920 1.00 11.28 C ATOM 1315 O ASP A 84 14.433 21.114 12.449 1.00 12.09 O ATOM 1316 CB ASP A 84 13.199 24.198 12.887 1.00 17.72 C ATOM 1317 CG ASP A 84 12.074 24.923 13.629 1.00 19.35 C ATOM 1318 OD1 ASP A 84 12.383 25.788 14.434 1.00 27.06 O ATOM 1319 OD2 ASP A 84 10.924 24.604 13.380 1.00 21.94 O ATOM 0 H ASP A 84 14.543 24.493 14.981 1.00 12.98 H new ATOM 0 HA ASP A 84 12.824 22.374 13.962 1.00 14.53 H new ATOM 0 HB2 ASP A 84 14.027 24.882 12.703 1.00 17.72 H new ATOM 0 HB3 ASP A 84 12.846 23.857 11.914 1.00 17.72 H new ATOM 1324 N LEU A 85 15.886 22.734 12.767 1.00 11.34 N ATOM 1325 CA LEU A 85 16.950 22.019 12.001 1.00 11.04 C ATOM 1326 C LEU A 85 17.164 20.617 12.577 1.00 12.09 C ATOM 1327 O LEU A 85 17.028 19.624 11.892 1.00 11.43 O ATOM 1328 CB LEU A 85 18.260 22.808 12.110 1.00 9.45 C ATOM 1329 CG LEU A 85 19.237 22.370 11.006 1.00 11.01 C ATOM 1330 CD1 LEU A 85 20.479 23.272 11.030 1.00 12.34 C ATOM 1331 CD2 LEU A 85 19.660 20.910 11.229 1.00 15.31 C ATOM 0 H LEU A 85 16.163 23.641 13.142 1.00 11.34 H new ATOM 0 HA LEU A 85 16.644 21.935 10.958 1.00 11.04 H new ATOM 0 HB2 LEU A 85 18.058 23.876 12.025 1.00 9.45 H new ATOM 0 HB3 LEU A 85 18.710 22.646 13.089 1.00 9.45 H new ATOM 0 HG LEU A 85 18.742 22.456 10.038 1.00 11.01 H new ATOM 0 HD11 LEU A 85 21.170 22.960 10.247 1.00 12.34 H new ATOM 0 HD12 LEU A 85 20.181 24.306 10.860 1.00 12.34 H new ATOM 0 HD13 LEU A 85 20.969 23.191 12.000 1.00 12.34 H new ATOM 0 HD21 LEU A 85 20.352 20.608 10.443 1.00 15.31 H new ATOM 0 HD22 LEU A 85 20.149 20.817 12.199 1.00 15.31 H new ATOM 0 HD23 LEU A 85 18.779 20.268 11.204 1.00 15.31 H new ATOM 1343 N VAL A 86 17.520 20.534 13.826 1.00 0.00 N ATOM 1344 CA VAL A 86 17.774 19.201 14.452 1.00 0.00 C ATOM 1345 C VAL A 86 16.596 18.264 14.206 1.00 0.00 C ATOM 1346 O VAL A 86 16.772 17.146 13.772 1.00 0.00 O ATOM 1347 CB VAL A 86 17.973 19.368 15.966 1.00 0.00 C ATOM 1348 CG1 VAL A 86 19.463 19.312 16.307 1.00 0.00 C ATOM 1349 CG2 VAL A 86 17.409 20.718 16.413 1.00 0.00 C ATOM 0 H VAL A 86 17.648 21.333 14.446 1.00 0.00 H new ATOM 0 HA VAL A 86 18.672 18.774 14.004 1.00 0.00 H new ATOM 0 HB VAL A 86 17.452 18.561 16.481 1.00 0.00 H new ATOM 0 HG11 VAL A 86 19.595 19.431 17.382 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.872 18.351 15.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.986 20.114 15.786 1.00 0.00 H new ATOM 0 HG21 VAL A 86 17.551 20.834 17.487 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.928 21.521 15.889 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.345 20.763 16.181 1.00 0.00 H new ATOM 1359 N SER A 87 15.401 18.696 14.480 1.00 14.12 N ATOM 1360 CA SER A 87 14.235 17.797 14.261 1.00 14.37 C ATOM 1361 C SER A 87 14.348 17.161 12.872 1.00 13.29 C ATOM 1362 O SER A 87 14.000 16.019 12.670 1.00 11.18 O ATOM 1363 CB SER A 87 12.940 18.611 14.354 1.00 13.30 C ATOM 1364 OG SER A 87 12.672 18.914 15.718 1.00 21.79 O ATOM 0 H SER A 87 15.180 19.623 14.843 1.00 14.12 H new ATOM 0 HA SER A 87 14.222 17.015 15.020 1.00 14.37 H new ATOM 0 HB2 SER A 87 13.033 19.531 13.777 1.00 13.30 H new ATOM 0 HB3 SER A 87 12.111 18.048 13.925 1.00 13.30 H new ATOM 0 HG SER A 87 13.103 19.762 15.956 1.00 21.79 H new ATOM 1370 N LEU A 88 14.826 17.901 11.911 1.00 0.00 N ATOM 1371 CA LEU A 88 14.957 17.350 10.529 1.00 0.00 C ATOM 1372 C LEU A 88 16.243 16.525 10.358 1.00 0.00 C ATOM 1373 O LEU A 88 16.260 15.537 9.648 1.00 0.00 O ATOM 1374 CB LEU A 88 14.967 18.510 9.535 1.00 0.00 C ATOM 1375 CG LEU A 88 13.745 19.399 9.778 1.00 0.00 C ATOM 1376 CD1 LEU A 88 13.894 20.694 8.978 1.00 0.00 C ATOM 1377 CD2 LEU A 88 12.473 18.664 9.341 1.00 0.00 C ATOM 0 H LEU A 88 15.133 18.867 12.021 1.00 0.00 H new ATOM 0 HA LEU A 88 14.111 16.687 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 88 15.882 19.092 9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 88 14.956 18.128 8.514 1.00 0.00 H new ATOM 0 HG LEU A 88 13.673 19.634 10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.025 21.329 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 88 14.795 21.218 9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.968 20.459 7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.606 19.301 9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.538 18.424 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 88 12.369 17.744 9.916 1.00 0.00 H new ATOM 1389 N GLN A 89 17.330 16.936 10.955 1.00 0.00 N ATOM 1390 CA GLN A 89 18.611 16.190 10.765 1.00 0.00 C ATOM 1391 C GLN A 89 18.468 14.739 11.234 1.00 0.00 C ATOM 1392 O GLN A 89 18.653 13.814 10.467 1.00 0.00 O ATOM 1393 CB GLN A 89 19.727 16.876 11.560 1.00 0.00 C ATOM 1394 CG GLN A 89 21.093 16.511 10.967 1.00 0.00 C ATOM 1395 CD GLN A 89 21.209 14.994 10.810 1.00 0.00 C ATOM 1396 OE1 GLN A 89 21.001 14.454 9.642 1.00 0.00 O flip ATOM 1397 NE2 GLN A 89 21.493 14.294 11.763 1.00 0.00 N flip ATOM 0 H GLN A 89 17.388 17.752 11.564 1.00 0.00 H new ATOM 0 HA GLN A 89 18.859 16.191 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.589 17.957 11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.681 16.570 12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 89 21.219 16.995 9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.889 16.880 11.614 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.656 14.718 12.677 1.00 0.00 H new ATOM 0 HE22 GLN A 89 21.569 13.283 11.649 1.00 0.00 H new ATOM 1406 N GLN A 90 18.159 14.525 12.481 1.00 0.00 N ATOM 1407 CA GLN A 90 18.030 13.131 12.976 1.00 0.00 C ATOM 1408 C GLN A 90 16.914 12.420 12.217 1.00 0.00 C ATOM 1409 O GLN A 90 16.834 11.209 12.195 1.00 0.00 O ATOM 1410 CB GLN A 90 17.727 13.133 14.476 1.00 0.00 C ATOM 1411 CG GLN A 90 16.582 14.099 14.787 1.00 0.00 C ATOM 1412 CD GLN A 90 15.258 13.493 14.322 1.00 0.00 C ATOM 1413 OE1 GLN A 90 14.237 14.275 14.113 1.00 0.00 O flip ATOM 1414 NE2 GLN A 90 15.152 12.295 14.150 1.00 0.00 N flip ATOM 0 H GLN A 90 17.991 15.253 13.175 1.00 0.00 H new ATOM 0 HA GLN A 90 18.969 12.603 12.810 1.00 0.00 H new ATOM 0 HB2 GLN A 90 17.461 12.127 14.801 1.00 0.00 H new ATOM 0 HB3 GLN A 90 18.618 13.423 15.033 1.00 0.00 H new ATOM 0 HG2 GLN A 90 16.545 14.302 15.857 1.00 0.00 H new ATOM 0 HG3 GLN A 90 16.752 15.053 14.288 1.00 0.00 H new ATOM 0 HE21 GLN A 90 15.952 11.684 14.314 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.263 11.901 13.842 1.00 0.00 H new ATOM 1423 N SER A 91 16.062 13.166 11.580 1.00 0.00 N ATOM 1424 CA SER A 91 14.959 12.534 10.804 1.00 0.00 C ATOM 1425 C SER A 91 15.504 12.073 9.454 1.00 0.00 C ATOM 1426 O SER A 91 15.534 10.895 9.153 1.00 0.00 O ATOM 1427 CB SER A 91 13.835 13.548 10.589 1.00 0.00 C ATOM 1428 OG SER A 91 13.270 13.896 11.846 1.00 0.00 O ATOM 0 H SER A 91 16.079 14.186 11.561 1.00 0.00 H new ATOM 0 HA SER A 91 14.564 11.679 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 91 14.222 14.438 10.093 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.069 13.127 9.937 1.00 0.00 H new ATOM 0 HG SER A 91 13.912 14.432 12.356 1.00 0.00 H new ATOM 1434 N GLY A 92 15.947 12.992 8.643 1.00 19.34 N ATOM 1435 CA GLY A 92 16.507 12.622 7.306 1.00 19.37 C ATOM 1436 C GLY A 92 15.950 13.551 6.227 1.00 22.29 C ATOM 1437 O GLY A 92 16.439 13.592 5.117 1.00 25.64 O ATOM 0 H GLY A 92 15.947 13.991 8.847 1.00 19.34 H new ATOM 0 HA2 GLY A 92 17.595 12.688 7.328 1.00 19.37 H new ATOM 0 HA3 GLY A 92 16.255 11.588 7.071 1.00 19.37 H new ATOM 1441 N GLU A 93 14.934 14.300 6.543 1.00 22.54 N ATOM 1442 CA GLU A 93 14.357 15.225 5.533 1.00 24.53 C ATOM 1443 C GLU A 93 15.366 16.343 5.265 1.00 23.48 C ATOM 1444 O GLU A 93 15.426 16.905 4.190 1.00 22.85 O ATOM 1445 CB GLU A 93 13.061 15.817 6.088 1.00 27.50 C ATOM 1446 CG GLU A 93 12.386 16.676 5.021 1.00 36.43 C ATOM 1447 CD GLU A 93 11.852 15.780 3.902 1.00 44.30 C ATOM 1448 OE1 GLU A 93 10.829 15.150 4.112 1.00 50.26 O ATOM 1449 OE2 GLU A 93 12.477 15.737 2.855 1.00 42.86 O ATOM 0 H GLU A 93 14.479 14.312 7.456 1.00 22.54 H new ATOM 0 HA GLU A 93 14.143 14.695 4.605 1.00 24.53 H new ATOM 0 HB2 GLU A 93 12.390 15.017 6.402 1.00 27.50 H new ATOM 0 HB3 GLU A 93 13.274 16.419 6.971 1.00 27.50 H new ATOM 0 HG2 GLU A 93 11.570 17.248 5.463 1.00 36.43 H new ATOM 0 HG3 GLU A 93 13.097 17.396 4.616 1.00 36.43 H new ATOM 1456 N LEU A 94 16.154 16.668 6.249 1.00 24.17 N ATOM 1457 CA LEU A 94 17.166 17.749 6.088 1.00 22.19 C ATOM 1458 C LEU A 94 18.150 17.416 4.973 1.00 22.62 C ATOM 1459 O LEU A 94 18.240 18.111 3.980 1.00 21.76 O ATOM 1460 CB LEU A 94 17.946 17.902 7.390 1.00 23.15 C ATOM 1461 CG LEU A 94 18.756 19.207 7.364 1.00 23.80 C ATOM 1462 CD1 LEU A 94 17.876 20.384 7.793 1.00 18.74 C ATOM 1463 CD2 LEU A 94 19.937 19.088 8.329 1.00 21.18 C ATOM 0 H LEU A 94 16.141 16.227 7.168 1.00 24.17 H new ATOM 0 HA LEU A 94 16.644 18.672 5.837 1.00 22.19 H new ATOM 0 HB2 LEU A 94 17.260 17.907 8.237 1.00 23.15 H new ATOM 0 HB3 LEU A 94 18.614 17.052 7.526 1.00 23.15 H new ATOM 0 HG LEU A 94 19.117 19.380 6.350 1.00 23.80 H new ATOM 0 HD11 LEU A 94 18.461 21.303 7.771 1.00 18.74 H new ATOM 0 HD12 LEU A 94 17.032 20.475 7.110 1.00 18.74 H new ATOM 0 HD13 LEU A 94 17.508 20.213 8.805 1.00 18.74 H new ATOM 0 HD21 LEU A 94 20.514 20.012 8.313 1.00 21.18 H new ATOM 0 HD22 LEU A 94 19.566 18.909 9.338 1.00 21.18 H new ATOM 0 HD23 LEU A 94 20.574 18.257 8.024 1.00 21.18 H new ATOM 1475 N LEU A 95 18.909 16.371 5.137 1.00 0.00 N ATOM 1476 CA LEU A 95 19.907 16.020 4.096 1.00 0.00 C ATOM 1477 C LEU A 95 19.190 15.888 2.761 1.00 0.00 C ATOM 1478 O LEU A 95 19.751 16.126 1.710 1.00 0.00 O ATOM 1479 CB LEU A 95 20.601 14.702 4.475 1.00 0.00 C ATOM 1480 CG LEU A 95 19.873 13.488 3.867 1.00 0.00 C ATOM 1481 CD1 LEU A 95 20.348 13.247 2.420 1.00 0.00 C ATOM 1482 CD2 LEU A 95 20.170 12.246 4.717 1.00 0.00 C ATOM 0 H LEU A 95 18.881 15.748 5.944 1.00 0.00 H new ATOM 0 HA LEU A 95 20.667 16.797 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 95 21.634 14.720 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 95 20.631 14.604 5.560 1.00 0.00 H new ATOM 0 HG LEU A 95 18.801 13.684 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 95 19.825 12.386 2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 95 20.134 14.128 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 95 21.421 13.056 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 95 19.657 11.383 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 95 21.244 12.061 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 95 19.820 12.410 5.736 1.00 0.00 H new ATOM 1494 N THR A 96 17.949 15.523 2.803 1.00 15.75 N ATOM 1495 CA THR A 96 17.179 15.388 1.537 1.00 17.89 C ATOM 1496 C THR A 96 17.060 16.763 0.884 1.00 14.96 C ATOM 1497 O THR A 96 17.327 16.923 -0.288 1.00 17.84 O ATOM 1498 CB THR A 96 15.780 14.822 1.820 1.00 19.42 C ATOM 1499 OG1 THR A 96 15.821 13.407 1.718 1.00 21.98 O ATOM 1500 CG2 THR A 96 14.768 15.373 0.807 1.00 28.03 C ATOM 0 H THR A 96 17.430 15.311 3.655 1.00 15.75 H new ATOM 0 HA THR A 96 17.698 14.702 0.868 1.00 17.89 H new ATOM 0 HB THR A 96 15.473 15.117 2.823 1.00 19.42 H new ATOM 0 HG1 THR A 96 14.931 13.040 1.899 1.00 21.98 H new ATOM 0 HG21 THR A 96 13.781 14.963 1.020 1.00 28.03 H new ATOM 0 HG22 THR A 96 14.734 16.460 0.881 1.00 28.03 H new ATOM 0 HG23 THR A 96 15.070 15.088 -0.201 1.00 28.03 H new ATOM 1508 N ARG A 97 16.666 17.761 1.633 1.00 12.39 N ATOM 1509 CA ARG A 97 16.537 19.116 1.031 1.00 13.82 C ATOM 1510 C ARG A 97 17.909 19.532 0.510 1.00 14.98 C ATOM 1511 O ARG A 97 18.030 20.218 -0.484 1.00 16.48 O ATOM 1512 CB ARG A 97 16.029 20.108 2.086 1.00 18.70 C ATOM 1513 CG ARG A 97 14.500 20.002 2.172 1.00 27.27 C ATOM 1514 CD ARG A 97 13.971 20.816 3.356 1.00 36.05 C ATOM 1515 NE ARG A 97 13.910 22.261 2.995 1.00 38.76 N ATOM 1516 CZ ARG A 97 13.144 23.071 3.678 1.00 40.02 C ATOM 1517 NH1 ARG A 97 12.396 22.605 4.642 1.00 39.86 N ATOM 1518 NH2 ARG A 97 13.125 24.345 3.398 1.00 40.96 N ATOM 0 H ARG A 97 16.431 17.696 2.623 1.00 12.39 H new ATOM 0 HA ARG A 97 15.820 19.106 0.210 1.00 13.82 H new ATOM 0 HB2 ARG A 97 16.477 19.890 3.055 1.00 18.70 H new ATOM 0 HB3 ARG A 97 16.322 21.124 1.821 1.00 18.70 H new ATOM 0 HG2 ARG A 97 14.052 20.363 1.246 1.00 27.27 H new ATOM 0 HG3 ARG A 97 14.208 18.958 2.282 1.00 27.27 H new ATOM 0 HD2 ARG A 97 12.980 20.461 3.638 1.00 36.05 H new ATOM 0 HD3 ARG A 97 14.618 20.676 4.222 1.00 36.05 H new ATOM 0 HE ARG A 97 14.465 22.617 2.217 1.00 38.76 H new ATOM 0 HH11 ARG A 97 12.409 21.609 4.862 1.00 39.86 H new ATOM 0 HH12 ARG A 97 11.798 23.237 5.175 1.00 39.86 H new ATOM 0 HH21 ARG A 97 13.708 24.710 2.645 1.00 40.96 H new ATOM 0 HH22 ARG A 97 12.527 24.976 3.932 1.00 40.96 H new ATOM 1532 N LEU A 98 18.949 19.083 1.151 1.00 12.44 N ATOM 1533 CA LEU A 98 20.316 19.401 0.676 1.00 12.45 C ATOM 1534 C LEU A 98 20.576 18.606 -0.608 1.00 14.25 C ATOM 1535 O LEU A 98 21.204 19.073 -1.536 1.00 12.19 O ATOM 1536 CB LEU A 98 21.327 18.966 1.743 1.00 13.23 C ATOM 1537 CG LEU A 98 21.469 20.040 2.826 1.00 11.83 C ATOM 1538 CD1 LEU A 98 20.263 20.000 3.768 1.00 8.88 C ATOM 1539 CD2 LEU A 98 22.739 19.769 3.634 1.00 15.05 C ATOM 0 H LEU A 98 18.907 18.505 1.990 1.00 12.44 H new ATOM 0 HA LEU A 98 20.414 20.470 0.488 1.00 12.45 H new ATOM 0 HB2 LEU A 98 21.005 18.028 2.195 1.00 13.23 H new ATOM 0 HB3 LEU A 98 22.296 18.781 1.279 1.00 13.23 H new ATOM 0 HG LEU A 98 21.523 21.020 2.353 1.00 11.83 H new ATOM 0 HD11 LEU A 98 20.374 20.767 4.534 1.00 8.88 H new ATOM 0 HD12 LEU A 98 19.351 20.184 3.200 1.00 8.88 H new ATOM 0 HD13 LEU A 98 20.204 19.020 4.242 1.00 8.88 H new ATOM 0 HD21 LEU A 98 22.847 20.529 4.407 1.00 15.05 H new ATOM 0 HD22 LEU A 98 22.671 18.786 4.099 1.00 15.05 H new ATOM 0 HD23 LEU A 98 23.605 19.799 2.972 1.00 15.05 H new ATOM 1551 N LYS A 99 20.110 17.387 -0.634 1.00 0.00 N ATOM 1552 CA LYS A 99 20.325 16.502 -1.814 1.00 0.00 C ATOM 1553 C LYS A 99 19.592 17.020 -3.060 1.00 0.00 C ATOM 1554 O LYS A 99 20.182 17.173 -4.110 1.00 0.00 O ATOM 1555 CB LYS A 99 19.811 15.102 -1.473 1.00 0.00 C ATOM 1556 CG LYS A 99 20.262 14.110 -2.547 1.00 0.00 C ATOM 1557 CD LYS A 99 19.838 12.696 -2.141 1.00 0.00 C ATOM 1558 CE LYS A 99 20.376 11.686 -3.159 1.00 0.00 C ATOM 1559 NZ LYS A 99 19.847 10.328 -2.843 1.00 0.00 N ATOM 0 H LYS A 99 19.580 16.960 0.126 1.00 0.00 H new ATOM 0 HA LYS A 99 21.391 16.484 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 99 20.188 14.793 -0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.723 15.110 -1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.821 14.372 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 99 21.344 14.156 -2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.218 12.463 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.751 12.632 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.080 11.977 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.466 11.677 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 20.213 9.643 -3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.151 10.051 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.808 10.342 -2.886 1.00 0.00 H new ATOM 1573 N GLN A 100 18.307 17.255 -2.973 1.00 18.17 N ATOM 1574 CA GLN A 100 17.556 17.714 -4.180 1.00 18.02 C ATOM 1575 C GLN A 100 18.268 18.891 -4.853 1.00 18.05 C ATOM 1576 O GLN A 100 18.223 19.030 -6.059 1.00 19.19 O ATOM 1577 CB GLN A 100 16.122 18.119 -3.800 1.00 20.45 C ATOM 1578 CG GLN A 100 16.075 18.604 -2.349 1.00 29.25 C ATOM 1579 CD GLN A 100 14.949 19.626 -2.185 1.00 34.17 C ATOM 1580 OE1 GLN A 100 14.973 20.680 -2.788 1.00 34.86 O ATOM 1581 NE2 GLN A 100 13.953 19.352 -1.389 1.00 38.64 N ATOM 0 H GLN A 100 17.749 17.150 -2.125 1.00 18.17 H new ATOM 0 HA GLN A 100 17.516 16.884 -4.885 1.00 18.02 H new ATOM 0 HB2 GLN A 100 15.771 18.907 -4.466 1.00 20.45 H new ATOM 0 HB3 GLN A 100 15.451 17.270 -3.929 1.00 20.45 H new ATOM 0 HG2 GLN A 100 15.914 17.760 -1.678 1.00 29.25 H new ATOM 0 HG3 GLN A 100 17.030 19.053 -2.074 1.00 29.25 H new ATOM 0 HE21 GLN A 100 13.933 18.467 -0.883 1.00 38.64 H new ATOM 0 HE22 GLN A 100 13.194 20.023 -1.273 1.00 38.64 H new ATOM 1590 N ILE A 101 18.931 19.738 -4.109 1.00 0.00 N ATOM 1591 CA ILE A 101 19.638 20.887 -4.751 1.00 0.00 C ATOM 1592 C ILE A 101 21.124 20.555 -4.870 1.00 0.00 C ATOM 1593 O ILE A 101 21.861 21.196 -5.593 1.00 0.00 O ATOM 1594 CB ILE A 101 19.466 22.153 -3.912 1.00 0.00 C ATOM 1595 CG1 ILE A 101 19.982 21.903 -2.495 1.00 0.00 C ATOM 1596 CG2 ILE A 101 17.988 22.549 -3.857 1.00 0.00 C ATOM 1597 CD1 ILE A 101 19.703 23.131 -1.627 1.00 0.00 C ATOM 0 H ILE A 101 19.014 19.685 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 101 19.213 21.061 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 101 20.035 22.963 -4.369 1.00 0.00 H new ATOM 0 HG12 ILE A 101 19.496 21.025 -2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 101 21.052 21.696 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 101 17.875 23.452 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 101 17.624 22.737 -4.867 1.00 0.00 H new ATOM 0 HG23 ILE A 101 17.411 21.741 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 101 20.071 22.953 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 101 20.210 23.998 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 101 18.630 23.318 -1.595 1.00 0.00 H new ATOM 1609 N GLY A 102 21.567 19.548 -4.170 1.00 11.15 N ATOM 1610 CA GLY A 102 23.003 19.156 -4.243 1.00 12.21 C ATOM 1611 C GLY A 102 23.848 20.069 -3.353 1.00 14.73 C ATOM 1612 O GLY A 102 24.907 20.520 -3.742 1.00 18.54 O ATOM 0 H GLY A 102 20.994 18.977 -3.548 1.00 11.15 H new ATOM 0 HA2 GLY A 102 23.121 18.119 -3.928 1.00 12.21 H new ATOM 0 HA3 GLY A 102 23.352 19.217 -5.274 1.00 12.21 H new ATOM 1616 N ALA A 103 23.397 20.343 -2.163 1.00 10.84 N ATOM 1617 CA ALA A 103 24.192 21.226 -1.258 1.00 9.88 C ATOM 1618 C ALA A 103 25.216 20.388 -0.491 1.00 9.21 C ATOM 1619 O ALA A 103 26.159 20.906 0.077 1.00 7.47 O ATOM 1620 CB ALA A 103 23.262 21.918 -0.262 1.00 4.30 C ATOM 0 H ALA A 103 22.518 19.998 -1.776 1.00 10.84 H new ATOM 0 HA ALA A 103 24.708 21.977 -1.857 1.00 9.88 H new ATOM 0 HB1 ALA A 103 23.847 22.561 0.396 1.00 4.30 H new ATOM 0 HB2 ALA A 103 22.533 22.520 -0.803 1.00 4.30 H new ATOM 0 HB3 ALA A 103 22.742 21.167 0.333 1.00 4.30 H new ATOM 1626 N LEU A 104 25.041 19.096 -0.468 1.00 0.00 N ATOM 1627 CA LEU A 104 26.000 18.219 0.260 1.00 0.00 C ATOM 1628 C LEU A 104 27.052 17.687 -0.717 1.00 0.00 C ATOM 1629 O LEU A 104 27.027 17.989 -1.892 1.00 0.00 O ATOM 1630 CB LEU A 104 25.244 17.048 0.908 1.00 0.00 C ATOM 1631 CG LEU A 104 24.891 15.976 -0.134 1.00 0.00 C ATOM 1632 CD1 LEU A 104 24.010 14.909 0.518 1.00 0.00 C ATOM 1633 CD2 LEU A 104 24.127 16.607 -1.301 1.00 0.00 C ATOM 0 H LEU A 104 24.271 18.607 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 104 26.497 18.795 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 104 25.855 16.607 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 104 24.333 17.416 1.380 1.00 0.00 H new ATOM 0 HG LEU A 104 25.811 15.527 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 104 23.757 14.146 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 104 24.548 14.449 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 104 23.096 15.370 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 104 23.882 15.838 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 104 23.208 17.062 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 104 24.746 17.371 -1.771 1.00 0.00 H new ATOM 1645 N GLN A 105 27.972 16.898 -0.238 1.00 0.00 N ATOM 1646 CA GLN A 105 29.025 16.345 -1.134 1.00 0.00 C ATOM 1647 C GLN A 105 28.457 15.167 -1.927 1.00 0.00 C ATOM 1648 O GLN A 105 27.665 15.406 -2.824 1.00 0.00 O ATOM 1649 CB GLN A 105 30.208 15.868 -0.289 1.00 0.00 C ATOM 1650 CG GLN A 105 30.966 17.075 0.268 1.00 0.00 C ATOM 1651 CD GLN A 105 32.347 16.634 0.758 1.00 0.00 C ATOM 1652 OE1 GLN A 105 32.542 15.490 1.113 1.00 0.00 O ATOM 1653 NE2 GLN A 105 33.320 17.504 0.790 1.00 0.00 N ATOM 1654 OXT GLN A 105 28.830 14.043 -1.629 1.00 0.00 O ATOM 0 H GLN A 105 28.040 16.611 0.739 1.00 0.00 H new ATOM 0 HA GLN A 105 29.357 17.119 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 105 29.853 15.241 0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 105 30.876 15.255 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 105 31.070 17.839 -0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 105 30.404 17.523 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 105 33.155 18.465 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 105 34.245 17.222 1.114 1.00 0.00 H new TER 1663 GLN A 105 HETATM 1664 N1 GSH A 106 14.883 27.177 19.219 1.00 0.00 N HETATM 1665 CA1 GSH A 106 14.492 28.404 18.469 1.00 0.00 C HETATM 1666 C1 GSH A 106 14.102 28.033 17.033 1.00 0.00 C HETATM 1667 O11 GSH A 106 14.589 27.026 16.548 1.00 0.00 O HETATM 1668 O12 GSH A 106 13.321 28.765 16.442 1.00 0.00 O HETATM 1669 CB1 GSH A 106 15.681 29.368 18.446 1.00 0.00 C HETATM 1670 CG1 GSH A 106 16.013 29.816 19.878 1.00 0.00 C HETATM 1671 CD1 GSH A 106 16.062 31.344 19.962 1.00 0.00 C HETATM 1672 OE1 GSH A 106 16.419 32.020 19.017 1.00 0.00 O HETATM 1673 N2 GSH A 106 15.771 31.886 21.116 1.00 0.00 N HETATM 1674 CA2 GSH A 106 15.959 33.349 21.327 1.00 0.00 C HETATM 1675 C2 GSH A 106 14.949 34.145 20.493 1.00 0.00 C HETATM 1676 O2 GSH A 106 13.755 33.928 20.589 1.00 0.00 O HETATM 1677 CB2 GSH A 106 17.393 33.721 20.928 1.00 0.00 C HETATM 1678 SG2 GSH A 106 18.470 32.290 21.193 1.00 0.00 S HETATM 1679 N3 GSH A 106 15.384 35.228 19.905 1.00 0.00 N HETATM 1680 CA3 GSH A 106 14.423 36.193 19.293 1.00 0.00 C HETATM 1681 C3 GSH A 106 14.155 37.336 20.274 1.00 0.00 C HETATM 1682 O31 GSH A 106 13.764 37.047 21.394 1.00 0.00 O HETATM 1683 O32 GSH A 106 14.443 38.469 19.925 1.00 0.00 O HETATM 0 HN12 GSH A 106 15.172 27.246 20.195 1.00 0.00 H new HETATM 0 HN11 GSH A 106 14.862 26.268 18.757 1.00 0.00 H new HETATM 0 HG13 GSH A 106 15.263 29.431 20.569 1.00 0.00 H new HETATM 0 HG12 GSH A 106 16.972 29.398 20.183 1.00 0.00 H new HETATM 0 HB23 GSH A 106 17.425 34.028 19.883 1.00 0.00 H new HETATM 0 HB22 GSH A 106 17.740 34.568 21.519 1.00 0.00 H new HETATM 0 HB13 GSH A 106 16.547 28.882 17.997 1.00 0.00 H new HETATM 0 HB12 GSH A 106 15.446 30.235 17.829 1.00 0.00 H new HETATM 0 HA32 GSH A 106 14.830 36.587 18.361 1.00 0.00 H new HETATM 0 HA31 GSH A 106 13.490 35.686 19.045 1.00 0.00 H new HETATM 0 HN3 GSH A 106 16.386 35.415 19.864 1.00 0.00 H new HETATM 0 HN2 GSH A 106 15.414 31.305 21.875 1.00 0.00 H new HETATM 0 HA2 GSH A 106 15.793 33.593 22.376 1.00 0.00 H new HETATM 0 HA1 GSH A 106 13.639 28.877 18.956 1.00 0.00 H new