USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -0.147 K(o=0.07,f=-0.82) USER MOD Set 1.2: A 84 SER OG : rot 8:sc= 0.217 USER MOD Set 2.1: A 48 ASN : amide:sc= -2.15 K(o=-2.1,f=-3.6!) USER MOD Set 2.2: A 50 MET CE :methyl 152:sc= 0 (180deg=-0.0105) USER MOD Set 3.1: A 17 SER OG : rot 180:sc= -2.9! USER MOD Set 3.2: A 20 GLN : amide:sc= -1.97! C(o=-4.9!,f=-12!) USER MOD Set 4.1: A 15 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Set 4.2: A 92 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl -126:sc=-0.00171 (180deg=-0.24) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.156 (180deg=-0.676) USER MOD Single : A 6 THR OG1 : rot 169:sc= -2.29! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot -175:sc= -0.02 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0988 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0286 K(o=-0.029,f=-2.2!) USER MOD Single : A 46 GLN : amide:sc= -0.0024 K(o=-0.0024,f=-1.1) USER MOD Single : A 51 ASN : amide:sc= -1.51! C(o=-1.5!,f=-10!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.087) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= 0.0969 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 83 CYS SG : rot 180:sc= -0.0587 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 57.211 -7.363 20.478 1.00 0.00 N ATOM 2 CA MET A 1 56.317 -8.073 21.438 1.00 0.00 C ATOM 3 C MET A 1 56.217 -9.544 21.045 1.00 0.00 C ATOM 4 O MET A 1 55.746 -10.372 21.824 1.00 0.00 O ATOM 5 CB MET A 1 54.924 -7.437 21.406 1.00 0.00 C ATOM 6 CG MET A 1 54.996 -6.008 21.950 1.00 0.00 C ATOM 7 SD MET A 1 53.328 -5.302 22.035 1.00 0.00 S ATOM 8 CE MET A 1 53.120 -4.945 20.272 1.00 0.00 C ATOM 0 H1 MET A 1 57.471 -6.434 20.868 1.00 0.00 H new ATOM 0 H2 MET A 1 58.071 -7.927 20.323 1.00 0.00 H new ATOM 0 H3 MET A 1 56.715 -7.232 19.573 1.00 0.00 H new ATOM 0 HA MET A 1 56.727 -7.994 22.445 1.00 0.00 H new ATOM 0 HB2 MET A 1 54.541 -7.429 20.386 1.00 0.00 H new ATOM 0 HB3 MET A 1 54.230 -8.029 22.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 55.452 -6.008 22.940 1.00 0.00 H new ATOM 0 HG3 MET A 1 55.628 -5.395 21.307 1.00 0.00 H new ATOM 0 HE1 MET A 1 52.853 -3.896 20.142 1.00 0.00 H new ATOM 0 HE2 MET A 1 54.053 -5.150 19.747 1.00 0.00 H new ATOM 0 HE3 MET A 1 52.329 -5.574 19.864 1.00 0.00 H new ATOM 20 N ALA A 2 56.660 -9.860 19.832 1.00 0.00 N ATOM 21 CA ALA A 2 56.612 -11.235 19.346 1.00 0.00 C ATOM 22 C ALA A 2 57.193 -11.326 17.928 1.00 0.00 C ATOM 23 O ALA A 2 57.959 -12.243 17.627 1.00 0.00 O ATOM 24 CB ALA A 2 55.151 -11.755 19.370 1.00 0.00 C ATOM 0 H ALA A 2 57.053 -9.189 19.172 1.00 0.00 H new ATOM 0 HA ALA A 2 57.217 -11.860 20.002 1.00 0.00 H new ATOM 0 HB1 ALA A 2 55.124 -12.782 19.006 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.770 -11.722 20.391 1.00 0.00 H new ATOM 0 HB3 ALA A 2 54.531 -11.127 18.731 1.00 0.00 H new ATOM 30 N PRO A 3 56.839 -10.410 17.060 1.00 0.00 N ATOM 31 CA PRO A 3 57.336 -10.405 15.656 1.00 0.00 C ATOM 32 C PRO A 3 58.811 -10.004 15.578 1.00 0.00 C ATOM 33 O PRO A 3 59.279 -9.174 16.358 1.00 0.00 O ATOM 34 CB PRO A 3 56.410 -9.403 14.919 1.00 0.00 C ATOM 35 CG PRO A 3 55.394 -8.933 15.933 1.00 0.00 C ATOM 36 CD PRO A 3 55.947 -9.274 17.318 1.00 0.00 C ATOM 0 HA PRO A 3 57.300 -11.395 15.201 1.00 0.00 H new ATOM 0 HB2 PRO A 3 56.982 -8.563 14.525 1.00 0.00 H new ATOM 0 HB3 PRO A 3 55.919 -9.880 14.071 1.00 0.00 H new ATOM 0 HG2 PRO A 3 55.225 -7.860 15.840 1.00 0.00 H new ATOM 0 HG3 PRO A 3 54.434 -9.422 15.771 1.00 0.00 H new ATOM 0 HD2 PRO A 3 56.485 -8.432 17.754 1.00 0.00 H new ATOM 0 HD3 PRO A 3 55.151 -9.539 18.014 1.00 0.00 H new ATOM 44 N GLU A 4 59.536 -10.599 14.631 1.00 0.00 N ATOM 45 CA GLU A 4 60.959 -10.303 14.458 1.00 0.00 C ATOM 46 C GLU A 4 61.152 -9.181 13.442 1.00 0.00 C ATOM 47 O GLU A 4 60.245 -8.386 13.202 1.00 0.00 O ATOM 48 CB GLU A 4 61.706 -11.563 14.002 1.00 0.00 C ATOM 49 CG GLU A 4 61.273 -11.953 12.585 1.00 0.00 C ATOM 50 CD GLU A 4 61.717 -13.382 12.285 1.00 0.00 C ATOM 51 OE1 GLU A 4 62.769 -13.767 12.766 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.996 -14.070 11.582 1.00 0.00 O1- ATOM 0 H GLU A 4 59.164 -11.286 13.975 1.00 0.00 H new ATOM 0 HA GLU A 4 61.365 -9.976 15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.781 -11.385 14.025 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.504 -12.383 14.690 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.190 -11.871 12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 4 61.709 -11.267 11.859 1.00 0.00 H new ATOM 59 N VAL A 5 62.340 -9.118 12.851 1.00 0.00 N ATOM 60 CA VAL A 5 62.629 -8.081 11.869 1.00 0.00 C ATOM 61 C VAL A 5 61.638 -8.176 10.713 1.00 0.00 C ATOM 62 O VAL A 5 61.450 -9.251 10.145 1.00 0.00 O ATOM 63 CB VAL A 5 64.065 -8.250 11.347 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.150 -9.478 10.442 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.482 -6.997 10.568 1.00 0.00 C ATOM 0 H VAL A 5 63.109 -9.764 13.032 1.00 0.00 H new ATOM 0 HA VAL A 5 62.533 -7.102 12.338 1.00 0.00 H new ATOM 0 HB VAL A 5 64.739 -8.387 12.193 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.171 -9.591 10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.867 -10.366 11.007 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.473 -9.354 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.500 -7.120 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.806 -6.851 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.436 -6.128 11.225 1.00 0.00 H new ATOM 75 N THR A 6 60.997 -7.058 10.362 1.00 0.00 N ATOM 76 CA THR A 6 60.029 -7.089 9.252 1.00 0.00 C ATOM 77 C THR A 6 60.742 -6.873 7.928 1.00 0.00 C ATOM 78 O THR A 6 61.546 -5.950 7.787 1.00 0.00 O ATOM 79 CB THR A 6 58.935 -6.024 9.424 1.00 0.00 C ATOM 80 OG1 THR A 6 59.533 -4.748 9.555 1.00 0.00 O ATOM 81 CG2 THR A 6 58.077 -6.334 10.664 1.00 0.00 C ATOM 0 H THR A 6 61.120 -6.149 10.808 1.00 0.00 H new ATOM 0 HA THR A 6 59.554 -8.070 9.259 1.00 0.00 H new ATOM 0 HB THR A 6 58.290 -6.032 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 6 58.843 -4.055 9.487 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.306 -5.571 10.773 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.607 -7.310 10.546 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.709 -6.340 11.552 1.00 0.00 H new ATOM 89 N ILE A 7 60.446 -7.741 6.960 1.00 0.00 N ATOM 90 CA ILE A 7 61.067 -7.659 5.641 1.00 0.00 C ATOM 91 C ILE A 7 60.139 -6.986 4.641 1.00 0.00 C ATOM 92 O ILE A 7 59.593 -7.633 3.748 1.00 0.00 O ATOM 93 CB ILE A 7 61.382 -9.063 5.144 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.084 -9.857 6.254 1.00 0.00 C ATOM 95 CG2 ILE A 7 62.271 -8.994 3.899 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.342 -9.120 6.726 1.00 0.00 C ATOM 0 H ILE A 7 59.781 -8.507 7.066 1.00 0.00 H new ATOM 0 HA ILE A 7 61.979 -7.069 5.730 1.00 0.00 H new ATOM 0 HB ILE A 7 60.452 -9.566 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 7 61.403 -10.001 7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 7 62.352 -10.848 5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 7 62.490 -10.004 3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 7 61.754 -8.444 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.203 -8.485 4.145 1.00 0.00 H new ATOM 0 HD11 ILE A 7 63.828 -9.697 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.029 -8.999 5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.065 -8.139 7.113 1.00 0.00 H new ATOM 108 N LEU A 8 59.990 -5.679 4.783 1.00 0.00 N ATOM 109 CA LEU A 8 59.154 -4.890 3.878 1.00 0.00 C ATOM 110 C LEU A 8 60.060 -3.972 3.072 1.00 0.00 C ATOM 111 O LEU A 8 60.250 -2.806 3.413 1.00 0.00 O ATOM 112 CB LEU A 8 58.144 -4.072 4.685 1.00 0.00 C ATOM 113 CG LEU A 8 57.287 -5.017 5.540 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.361 -4.192 6.441 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.440 -5.931 4.635 1.00 0.00 C ATOM 0 H LEU A 8 60.438 -5.135 5.520 1.00 0.00 H new ATOM 0 HA LEU A 8 58.600 -5.544 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.665 -3.358 5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.508 -3.494 4.014 1.00 0.00 H new ATOM 0 HG LEU A 8 57.944 -5.634 6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.752 -4.862 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.960 -3.555 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.712 -3.571 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.837 -6.596 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.786 -5.321 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.098 -6.523 3.999 1.00 0.00 H new ATOM 127 N GLU A 9 60.652 -4.539 2.022 1.00 0.00 N ATOM 128 CA GLU A 9 61.592 -3.810 1.170 1.00 0.00 C ATOM 129 C GLU A 9 61.094 -3.705 -0.274 1.00 0.00 C ATOM 130 O GLU A 9 61.441 -4.540 -1.109 1.00 0.00 O ATOM 131 CB GLU A 9 62.928 -4.554 1.174 1.00 0.00 C ATOM 132 CG GLU A 9 64.030 -3.654 0.612 1.00 0.00 C ATOM 133 CD GLU A 9 65.326 -4.449 0.476 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.611 -4.897 -0.623 1.00 0.00 O ATOM 135 OE2 GLU A 9 66.011 -4.603 1.474 1.00 0.00 O1- ATOM 0 H GLU A 9 60.496 -5.507 1.739 1.00 0.00 H new ATOM 0 HA GLU A 9 61.696 -2.799 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.180 -4.860 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 9 62.849 -5.463 0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 9 63.731 -3.260 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.184 -2.798 1.269 1.00 0.00 H new ATOM 142 N PRO A 10 60.325 -2.696 -0.595 1.00 0.00 N ATOM 143 CA PRO A 10 59.828 -2.494 -1.982 1.00 0.00 C ATOM 144 C PRO A 10 60.962 -2.002 -2.884 1.00 0.00 C ATOM 145 O PRO A 10 60.799 -1.849 -4.094 1.00 0.00 O ATOM 146 CB PRO A 10 58.697 -1.444 -1.850 1.00 0.00 C ATOM 147 CG PRO A 10 58.603 -1.088 -0.383 1.00 0.00 C ATOM 148 CD PRO A 10 59.851 -1.646 0.312 1.00 0.00 C ATOM 0 HA PRO A 10 59.461 -3.413 -2.438 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.917 -0.561 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.751 -1.847 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.545 -0.007 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.699 -1.511 0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 10 60.606 -0.873 0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.613 -2.047 1.297 1.00 0.00 H new ATOM 156 N LEU A 11 62.108 -1.754 -2.259 1.00 0.00 N ATOM 157 CA LEU A 11 63.289 -1.273 -2.962 1.00 0.00 C ATOM 158 C LEU A 11 63.786 -2.320 -3.963 1.00 0.00 C ATOM 159 O LEU A 11 64.602 -3.177 -3.626 1.00 0.00 O ATOM 160 CB LEU A 11 64.389 -0.965 -1.921 1.00 0.00 C ATOM 161 CG LEU A 11 65.313 0.168 -2.403 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.916 -0.196 -3.767 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.525 1.498 -2.496 1.00 0.00 C ATOM 0 H LEU A 11 62.243 -1.880 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 11 63.039 -0.370 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 11 63.928 -0.684 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 64.978 -1.863 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 11 66.123 0.297 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.569 0.610 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.493 -1.116 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.115 -0.340 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.190 2.291 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 11 63.702 1.385 -3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 11 64.128 1.755 -1.514 1.00 0.00 H new ATOM 175 N GLN A 12 63.292 -2.242 -5.199 1.00 0.00 N ATOM 176 CA GLN A 12 63.696 -3.184 -6.245 1.00 0.00 C ATOM 177 C GLN A 12 64.796 -2.565 -7.107 1.00 0.00 C ATOM 178 O GLN A 12 65.833 -2.149 -6.592 1.00 0.00 O ATOM 179 CB GLN A 12 62.489 -3.551 -7.117 1.00 0.00 C ATOM 180 CG GLN A 12 61.468 -4.331 -6.285 1.00 0.00 C ATOM 181 CD GLN A 12 60.235 -4.634 -7.133 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.226 -4.361 -8.333 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.187 -5.182 -6.578 1.00 0.00 N ATOM 0 H GLN A 12 62.615 -1.541 -5.500 1.00 0.00 H new ATOM 0 HA GLN A 12 64.080 -4.090 -5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 12 62.031 -2.647 -7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.812 -4.150 -7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 12 61.911 -5.260 -5.926 1.00 0.00 H new ATOM 0 HG3 GLN A 12 61.183 -3.753 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 12 59.196 -5.408 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 12 58.360 -5.384 -7.139 1.00 0.00 H new ATOM 192 N ASP A 13 64.568 -2.501 -8.419 1.00 0.00 N ATOM 193 CA ASP A 13 65.548 -1.927 -9.340 1.00 0.00 C ATOM 194 C ASP A 13 65.066 -0.585 -9.883 1.00 0.00 C ATOM 195 O ASP A 13 63.902 -0.437 -10.255 1.00 0.00 O ATOM 196 CB ASP A 13 65.779 -2.888 -10.507 1.00 0.00 C ATOM 197 CG ASP A 13 64.460 -3.175 -11.216 1.00 0.00 C ATOM 198 OD1 ASP A 13 64.491 -3.844 -12.235 1.00 0.00 O ATOM 199 OD2 ASP A 13 63.437 -2.723 -10.728 1.00 0.00 O1- ATOM 0 H ASP A 13 63.716 -2.839 -8.866 1.00 0.00 H new ATOM 0 HA ASP A 13 66.479 -1.769 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 13 66.492 -2.456 -11.209 1.00 0.00 H new ATOM 0 HB3 ASP A 13 66.215 -3.818 -10.142 1.00 0.00 H new ATOM 204 N VAL A 14 65.978 0.386 -9.950 1.00 0.00 N ATOM 205 CA VAL A 14 65.658 1.715 -10.476 1.00 0.00 C ATOM 206 C VAL A 14 66.712 2.115 -11.502 1.00 0.00 C ATOM 207 O VAL A 14 67.830 1.597 -11.485 1.00 0.00 O ATOM 208 CB VAL A 14 65.617 2.750 -9.345 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.506 2.389 -8.357 1.00 0.00 C ATOM 210 CG2 VAL A 14 66.961 2.767 -8.612 1.00 0.00 C ATOM 0 H VAL A 14 66.946 0.277 -9.646 1.00 0.00 H new ATOM 0 HA VAL A 14 64.676 1.682 -10.947 1.00 0.00 H new ATOM 0 HB VAL A 14 65.422 3.735 -9.769 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.479 3.126 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.547 2.381 -8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.699 1.402 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.928 3.503 -7.809 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.159 1.781 -8.192 1.00 0.00 H new ATOM 0 HG23 VAL A 14 67.754 3.029 -9.312 1.00 0.00 H new ATOM 220 N GLN A 15 66.350 3.027 -12.406 1.00 0.00 N ATOM 221 CA GLN A 15 67.273 3.480 -13.454 1.00 0.00 C ATOM 222 C GLN A 15 67.488 4.987 -13.371 1.00 0.00 C ATOM 223 O GLN A 15 66.537 5.753 -13.214 1.00 0.00 O ATOM 224 CB GLN A 15 66.706 3.123 -14.828 1.00 0.00 C ATOM 225 CG GLN A 15 66.691 1.601 -14.995 1.00 0.00 C ATOM 226 CD GLN A 15 66.123 1.229 -16.361 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.859 2.105 -17.185 1.00 0.00 O ATOM 228 NE2 GLN A 15 65.917 -0.028 -16.651 1.00 0.00 N ATOM 0 H GLN A 15 65.430 3.466 -12.436 1.00 0.00 H new ATOM 0 HA GLN A 15 68.231 2.982 -13.308 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.696 3.521 -14.931 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.310 3.580 -15.612 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.702 1.206 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.090 1.147 -14.207 1.00 0.00 H new ATOM 0 HE21 GLN A 15 66.137 -0.752 -15.967 1.00 0.00 H new ATOM 0 HE22 GLN A 15 65.537 -0.286 -17.562 1.00 0.00 H new ATOM 237 N LEU A 16 68.750 5.402 -13.477 1.00 0.00 N ATOM 238 CA LEU A 16 69.098 6.823 -13.414 1.00 0.00 C ATOM 239 C LEU A 16 70.311 7.122 -14.292 1.00 0.00 C ATOM 240 O LEU A 16 71.296 6.385 -14.278 1.00 0.00 O ATOM 241 CB LEU A 16 69.384 7.227 -11.958 1.00 0.00 C ATOM 242 CG LEU A 16 70.578 6.412 -11.379 1.00 0.00 C ATOM 243 CD1 LEU A 16 71.878 7.234 -11.453 1.00 0.00 C ATOM 244 CD2 LEU A 16 70.301 6.051 -9.908 1.00 0.00 C ATOM 0 H LEU A 16 69.546 4.778 -13.606 1.00 0.00 H new ATOM 0 HA LEU A 16 68.255 7.404 -13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.608 8.293 -11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 16 68.496 7.060 -11.349 1.00 0.00 H new ATOM 0 HG LEU A 16 70.691 5.503 -11.970 1.00 0.00 H new ATOM 0 HD11 LEU A 16 72.702 6.649 -11.044 1.00 0.00 H new ATOM 0 HD12 LEU A 16 72.091 7.485 -12.492 1.00 0.00 H new ATOM 0 HD13 LEU A 16 71.762 8.151 -10.875 1.00 0.00 H new ATOM 0 HD21 LEU A 16 71.140 5.481 -9.509 1.00 0.00 H new ATOM 0 HD22 LEU A 16 70.174 6.964 -9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 16 69.393 5.452 -9.845 1.00 0.00 H new ATOM 256 N SER A 17 70.234 8.211 -15.049 1.00 0.00 N ATOM 257 CA SER A 17 71.336 8.600 -15.924 1.00 0.00 C ATOM 258 C SER A 17 72.473 9.214 -15.111 1.00 0.00 C ATOM 259 O SER A 17 72.262 9.694 -13.998 1.00 0.00 O ATOM 260 CB SER A 17 70.844 9.615 -16.957 1.00 0.00 C ATOM 261 OG SER A 17 70.841 10.913 -16.376 1.00 0.00 O ATOM 0 H SER A 17 69.428 8.836 -15.076 1.00 0.00 H new ATOM 0 HA SER A 17 71.706 7.710 -16.433 1.00 0.00 H new ATOM 0 HB2 SER A 17 71.489 9.599 -17.836 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.841 9.352 -17.293 1.00 0.00 H new ATOM 0 HG SER A 17 70.527 11.566 -17.036 1.00 0.00 H new ATOM 267 N GLU A 18 73.678 9.200 -15.674 1.00 0.00 N ATOM 268 CA GLU A 18 74.833 9.765 -14.986 1.00 0.00 C ATOM 269 C GLU A 18 74.661 11.271 -14.828 1.00 0.00 C ATOM 270 O GLU A 18 74.141 11.944 -15.717 1.00 0.00 O ATOM 271 CB GLU A 18 76.117 9.459 -15.767 1.00 0.00 C ATOM 272 CG GLU A 18 77.345 9.892 -14.956 1.00 0.00 C ATOM 273 CD GLU A 18 77.513 11.407 -15.019 1.00 0.00 C ATOM 274 OE1 GLU A 18 77.166 11.981 -16.038 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.988 11.971 -14.048 1.00 0.00 O1- ATOM 0 H GLU A 18 73.878 8.808 -16.594 1.00 0.00 H new ATOM 0 HA GLU A 18 74.909 9.313 -13.997 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.173 8.393 -15.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 76.102 9.980 -16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.235 9.574 -13.919 1.00 0.00 H new ATOM 0 HG3 GLU A 18 78.238 9.404 -15.346 1.00 0.00 H new ATOM 282 N GLY A 19 75.098 11.795 -13.687 1.00 0.00 N ATOM 283 CA GLY A 19 74.984 13.226 -13.414 1.00 0.00 C ATOM 284 C GLY A 19 73.687 13.531 -12.674 1.00 0.00 C ATOM 285 O GLY A 19 73.463 14.659 -12.236 1.00 0.00 O ATOM 0 H GLY A 19 75.532 11.254 -12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.835 13.557 -12.818 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.014 13.784 -14.350 1.00 0.00 H new ATOM 289 N GLN A 20 72.837 12.514 -12.528 1.00 0.00 N ATOM 290 CA GLN A 20 71.564 12.677 -11.824 1.00 0.00 C ATOM 291 C GLN A 20 71.708 12.194 -10.384 1.00 0.00 C ATOM 292 O GLN A 20 72.593 11.395 -10.077 1.00 0.00 O ATOM 293 CB GLN A 20 70.456 11.883 -12.525 1.00 0.00 C ATOM 294 CG GLN A 20 70.198 12.473 -13.913 1.00 0.00 C ATOM 295 CD GLN A 20 69.072 11.709 -14.602 1.00 0.00 C ATOM 296 OE1 GLN A 20 69.051 10.479 -14.587 1.00 0.00 O ATOM 297 NE2 GLN A 20 68.124 12.374 -15.209 1.00 0.00 N ATOM 0 H GLN A 20 73.005 11.574 -12.885 1.00 0.00 H new ATOM 0 HA GLN A 20 71.295 13.733 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.745 10.836 -12.612 1.00 0.00 H new ATOM 0 HB3 GLN A 20 69.543 11.913 -11.931 1.00 0.00 H new ATOM 0 HG2 GLN A 20 69.934 13.527 -13.826 1.00 0.00 H new ATOM 0 HG3 GLN A 20 71.106 12.420 -14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 20 68.143 13.394 -15.220 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.365 11.873 -15.671 1.00 0.00 H new ATOM 306 N ASP A 21 70.846 12.689 -9.505 1.00 0.00 N ATOM 307 CA ASP A 21 70.899 12.306 -8.098 1.00 0.00 C ATOM 308 C ASP A 21 70.271 10.930 -7.882 1.00 0.00 C ATOM 309 O ASP A 21 69.528 10.434 -8.729 1.00 0.00 O ATOM 310 CB ASP A 21 70.166 13.347 -7.251 1.00 0.00 C ATOM 311 CG ASP A 21 68.707 13.444 -7.686 1.00 0.00 C ATOM 312 OD1 ASP A 21 68.040 14.365 -7.249 1.00 0.00 O ATOM 313 OD2 ASP A 21 68.282 12.597 -8.455 1.00 0.00 O1- ATOM 0 H ASP A 21 70.107 13.352 -9.738 1.00 0.00 H new ATOM 0 HA ASP A 21 71.945 12.258 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 70.222 13.074 -6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.650 14.318 -7.355 1.00 0.00 H new ATOM 318 N ALA A 22 70.579 10.319 -6.736 1.00 0.00 N ATOM 319 CA ALA A 22 70.048 8.998 -6.403 1.00 0.00 C ATOM 320 C ALA A 22 69.838 8.870 -4.897 1.00 0.00 C ATOM 321 O ALA A 22 70.543 9.498 -4.105 1.00 0.00 O ATOM 322 CB ALA A 22 71.020 7.913 -6.872 1.00 0.00 C ATOM 0 H ALA A 22 71.192 10.718 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 22 69.089 8.875 -6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.618 6.931 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.153 7.985 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.982 8.048 -6.378 1.00 0.00 H new ATOM 328 N SER A 23 68.863 8.052 -4.512 1.00 0.00 N ATOM 329 CA SER A 23 68.558 7.839 -3.100 1.00 0.00 C ATOM 330 C SER A 23 67.777 6.536 -2.915 1.00 0.00 C ATOM 331 O SER A 23 67.154 6.042 -3.854 1.00 0.00 O ATOM 332 CB SER A 23 67.735 9.013 -2.570 1.00 0.00 C ATOM 333 OG SER A 23 66.615 9.221 -3.419 1.00 0.00 O ATOM 0 H SER A 23 68.272 7.527 -5.156 1.00 0.00 H new ATOM 0 HA SER A 23 69.493 7.769 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.402 8.809 -1.552 1.00 0.00 H new ATOM 0 HB3 SER A 23 68.348 9.913 -2.530 1.00 0.00 H new ATOM 0 HG SER A 23 66.084 9.972 -3.081 1.00 0.00 H new ATOM 339 N PHE A 24 67.799 5.989 -1.695 1.00 0.00 N ATOM 340 CA PHE A 24 67.076 4.744 -1.397 1.00 0.00 C ATOM 341 C PHE A 24 66.254 4.890 -0.117 1.00 0.00 C ATOM 342 O PHE A 24 66.604 5.661 0.775 1.00 0.00 O ATOM 343 CB PHE A 24 68.049 3.574 -1.205 1.00 0.00 C ATOM 344 CG PHE A 24 68.778 3.242 -2.493 1.00 0.00 C ATOM 345 CD1 PHE A 24 70.172 3.370 -2.565 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.063 2.774 -3.604 1.00 0.00 C ATOM 347 CE1 PHE A 24 70.848 3.026 -3.742 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.739 2.439 -4.782 1.00 0.00 C ATOM 349 CZ PHE A 24 70.130 2.562 -4.851 1.00 0.00 C ATOM 0 H PHE A 24 68.305 6.384 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 24 66.420 4.544 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.773 3.825 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.502 2.697 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 24 70.725 3.734 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.989 2.672 -3.551 1.00 0.00 H new ATOM 0 HE1 PHE A 24 71.923 3.119 -3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.186 2.085 -5.639 1.00 0.00 H new ATOM 0 HZ PHE A 24 70.651 2.299 -5.760 1.00 0.00 H new ATOM 359 N GLN A 25 65.165 4.126 -0.031 1.00 0.00 N ATOM 360 CA GLN A 25 64.295 4.146 1.147 1.00 0.00 C ATOM 361 C GLN A 25 63.797 2.732 1.431 1.00 0.00 C ATOM 362 O GLN A 25 63.285 2.058 0.536 1.00 0.00 O ATOM 363 CB GLN A 25 63.105 5.082 0.906 1.00 0.00 C ATOM 364 CG GLN A 25 62.231 5.153 2.165 1.00 0.00 C ATOM 365 CD GLN A 25 61.025 6.052 1.913 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.213 5.770 1.033 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.854 7.120 2.643 1.00 0.00 N ATOM 0 H GLN A 25 64.863 3.484 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 25 64.858 4.511 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 25 63.462 6.078 0.644 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.514 4.723 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.898 4.153 2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.814 5.539 3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.528 7.353 3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 25 60.046 7.722 2.484 1.00 0.00 H new ATOM 376 N CYS A 26 63.961 2.274 2.676 1.00 0.00 N ATOM 377 CA CYS A 26 63.532 0.919 3.055 1.00 0.00 C ATOM 378 C CYS A 26 62.715 0.929 4.343 1.00 0.00 C ATOM 379 O CYS A 26 62.853 1.822 5.178 1.00 0.00 O ATOM 380 CB CYS A 26 64.758 0.024 3.253 1.00 0.00 C ATOM 381 SG CYS A 26 65.810 0.099 1.784 1.00 0.00 S ATOM 0 H CYS A 26 64.383 2.813 3.433 1.00 0.00 H new ATOM 0 HA CYS A 26 62.906 0.533 2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.318 0.347 4.130 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.444 -1.004 3.436 1.00 0.00 H new ATOM 0 HG CYS A 26 66.791 -0.745 1.909 1.00 0.00 H new ATOM 387 N ARG A 27 61.875 -0.096 4.499 1.00 0.00 N ATOM 388 CA ARG A 27 61.036 -0.246 5.689 1.00 0.00 C ATOM 389 C ARG A 27 61.336 -1.580 6.364 1.00 0.00 C ATOM 390 O ARG A 27 60.774 -2.608 5.991 1.00 0.00 O ATOM 391 CB ARG A 27 59.558 -0.207 5.297 1.00 0.00 C ATOM 392 CG ARG A 27 59.168 1.214 4.888 1.00 0.00 C ATOM 393 CD ARG A 27 57.715 1.233 4.423 1.00 0.00 C ATOM 394 NE ARG A 27 57.323 2.585 4.040 1.00 0.00 N ATOM 395 CZ ARG A 27 56.128 2.831 3.516 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.630 4.037 3.564 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.452 1.866 2.957 1.00 0.00 N ATOM 0 H ARG A 27 61.758 -0.839 3.811 1.00 0.00 H new ATOM 0 HA ARG A 27 61.251 0.573 6.376 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.372 -0.896 4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.942 -0.537 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.300 1.894 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.821 1.565 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.588 0.557 3.577 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.066 0.871 5.221 1.00 0.00 H new ATOM 0 HE ARG A 27 57.978 3.355 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 27 56.159 4.790 4.004 1.00 0.00 H new ATOM 0 HH12 ARG A 27 54.712 4.226 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.841 0.924 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.534 2.053 2.554 1.00 0.00 H new ATOM 411 N LEU A 28 62.228 -1.564 7.354 1.00 0.00 N ATOM 412 CA LEU A 28 62.595 -2.793 8.068 1.00 0.00 C ATOM 413 C LEU A 28 62.439 -2.609 9.570 1.00 0.00 C ATOM 414 O LEU A 28 63.189 -1.857 10.187 1.00 0.00 O ATOM 415 CB LEU A 28 64.054 -3.147 7.763 1.00 0.00 C ATOM 416 CG LEU A 28 64.233 -3.456 6.269 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.730 -3.568 5.962 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.539 -4.782 5.908 1.00 0.00 C ATOM 0 H LEU A 28 62.707 -0.725 7.680 1.00 0.00 H new ATOM 0 HA LEU A 28 61.934 -3.594 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.702 -2.319 8.049 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.357 -4.009 8.357 1.00 0.00 H new ATOM 0 HG LEU A 28 63.785 -2.655 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 65.869 -3.787 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.223 -2.627 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.165 -4.370 6.559 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.675 -4.987 4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 63.975 -5.592 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.474 -4.708 6.130 1.00 0.00 H new ATOM 430 N SER A 29 61.477 -3.315 10.158 1.00 0.00 N ATOM 431 CA SER A 29 61.264 -3.219 11.598 1.00 0.00 C ATOM 432 C SER A 29 62.503 -3.711 12.323 1.00 0.00 C ATOM 433 O SER A 29 63.313 -4.444 11.754 1.00 0.00 O ATOM 434 CB SER A 29 60.042 -4.023 12.040 1.00 0.00 C ATOM 435 OG SER A 29 59.900 -3.914 13.451 1.00 0.00 O ATOM 0 H SER A 29 60.844 -3.948 9.670 1.00 0.00 H new ATOM 0 HA SER A 29 61.078 -2.175 11.849 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.147 -3.651 11.542 1.00 0.00 H new ATOM 0 HB3 SER A 29 60.155 -5.068 11.753 1.00 0.00 H new ATOM 0 HG SER A 29 59.117 -4.426 13.741 1.00 0.00 H new ATOM 441 N ARG A 30 62.651 -3.280 13.567 1.00 0.00 N ATOM 442 CA ARG A 30 63.816 -3.632 14.372 1.00 0.00 C ATOM 443 C ARG A 30 64.026 -5.139 14.477 1.00 0.00 C ATOM 444 O ARG A 30 63.106 -5.929 14.272 1.00 0.00 O ATOM 445 CB ARG A 30 63.642 -3.046 15.767 1.00 0.00 C ATOM 446 CG ARG A 30 62.450 -3.709 16.469 1.00 0.00 C ATOM 447 CD ARG A 30 62.235 -3.056 17.835 1.00 0.00 C ATOM 448 NE ARG A 30 61.119 -3.698 18.531 1.00 0.00 N ATOM 449 CZ ARG A 30 61.315 -4.752 19.323 1.00 0.00 C ATOM 450 NH1 ARG A 30 62.208 -4.693 20.275 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 60.612 -5.840 19.152 1.00 0.00 N ATOM 0 H ARG A 30 61.976 -2.683 14.045 1.00 0.00 H new ATOM 0 HA ARG A 30 64.697 -3.220 13.880 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.550 -3.199 16.351 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.483 -1.970 15.701 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.552 -3.606 15.860 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.633 -4.777 16.589 1.00 0.00 H new ATOM 0 HD2 ARG A 30 63.142 -3.139 18.433 1.00 0.00 H new ATOM 0 HD3 ARG A 30 62.032 -1.992 17.710 1.00 0.00 H new ATOM 0 HE ARG A 30 60.175 -3.332 18.408 1.00 0.00 H new ATOM 0 HH11 ARG A 30 62.753 -3.842 20.411 1.00 0.00 H new ATOM 0 HH12 ARG A 30 62.360 -5.498 20.882 1.00 0.00 H new ATOM 0 HH21 ARG A 30 59.912 -5.884 18.411 1.00 0.00 H new ATOM 0 HH22 ARG A 30 60.763 -6.646 19.759 1.00 0.00 H new ATOM 465 N ALA A 31 65.265 -5.514 14.792 1.00 0.00 N ATOM 466 CA ALA A 31 65.643 -6.918 14.920 1.00 0.00 C ATOM 467 C ALA A 31 65.366 -7.454 16.318 1.00 0.00 C ATOM 468 O ALA A 31 64.867 -6.743 17.192 1.00 0.00 O ATOM 469 CB ALA A 31 67.132 -7.083 14.586 1.00 0.00 C ATOM 0 H ALA A 31 66.028 -4.859 14.964 1.00 0.00 H new ATOM 0 HA ALA A 31 65.038 -7.493 14.219 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.412 -8.132 14.682 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.315 -6.751 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.728 -6.484 15.274 1.00 0.00 H new ATOM 475 N SER A 32 65.704 -8.725 16.511 1.00 0.00 N ATOM 476 CA SER A 32 65.507 -9.385 17.792 1.00 0.00 C ATOM 477 C SER A 32 66.444 -10.575 17.888 1.00 0.00 C ATOM 478 O SER A 32 67.172 -10.736 18.868 1.00 0.00 O ATOM 479 CB SER A 32 64.057 -9.857 17.930 1.00 0.00 C ATOM 480 OG SER A 32 63.922 -10.601 19.136 1.00 0.00 O ATOM 0 H SER A 32 66.117 -9.319 15.792 1.00 0.00 H new ATOM 0 HA SER A 32 65.721 -8.680 18.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.382 -9.001 17.939 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.779 -10.473 17.075 1.00 0.00 H new ATOM 0 HG SER A 32 62.995 -10.905 19.231 1.00 0.00 H new ATOM 486 N GLY A 33 66.434 -11.395 16.842 1.00 0.00 N ATOM 487 CA GLY A 33 67.298 -12.565 16.783 1.00 0.00 C ATOM 488 C GLY A 33 68.656 -12.172 16.225 1.00 0.00 C ATOM 489 O GLY A 33 69.631 -12.056 16.967 1.00 0.00 O ATOM 0 H GLY A 33 65.837 -11.270 16.025 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.414 -12.994 17.778 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.845 -13.332 16.156 1.00 0.00 H new ATOM 493 N GLN A 34 68.710 -11.953 14.908 1.00 0.00 N ATOM 494 CA GLN A 34 69.954 -11.554 14.246 1.00 0.00 C ATOM 495 C GLN A 34 69.779 -10.236 13.500 1.00 0.00 C ATOM 496 O GLN A 34 68.728 -9.970 12.917 1.00 0.00 O ATOM 497 CB GLN A 34 70.406 -12.641 13.270 1.00 0.00 C ATOM 498 CG GLN A 34 70.869 -13.870 14.055 1.00 0.00 C ATOM 499 CD GLN A 34 71.203 -15.007 13.095 1.00 0.00 C ATOM 500 OE1 GLN A 34 70.613 -15.105 12.018 1.00 0.00 O ATOM 501 NE2 GLN A 34 72.111 -15.883 13.424 1.00 0.00 N ATOM 0 H GLN A 34 67.910 -12.045 14.282 1.00 0.00 H new ATOM 0 HA GLN A 34 70.715 -11.419 15.015 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.587 -12.910 12.603 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.217 -12.269 12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.744 -13.620 14.654 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.088 -14.185 14.747 1.00 0.00 H new ATOM 0 HE21 GLN A 34 72.599 -15.801 14.316 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.333 -16.650 12.789 1.00 0.00 H new ATOM 510 N GLU A 35 70.822 -9.414 13.529 1.00 0.00 N ATOM 511 CA GLU A 35 70.787 -8.117 12.858 1.00 0.00 C ATOM 512 C GLU A 35 70.920 -8.286 11.344 1.00 0.00 C ATOM 513 O GLU A 35 71.643 -9.162 10.869 1.00 0.00 O ATOM 514 CB GLU A 35 71.925 -7.242 13.385 1.00 0.00 C ATOM 515 CG GLU A 35 71.789 -5.824 12.829 1.00 0.00 C ATOM 516 CD GLU A 35 72.890 -4.937 13.400 1.00 0.00 C ATOM 517 OE1 GLU A 35 73.803 -5.475 14.006 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.809 -3.734 13.219 1.00 0.00 O1- ATOM 0 H GLU A 35 71.699 -9.620 14.007 1.00 0.00 H new ATOM 0 HA GLU A 35 69.829 -7.640 13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.903 -7.219 14.475 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.886 -7.666 13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 35 71.852 -5.843 11.741 1.00 0.00 H new ATOM 0 HG3 GLU A 35 70.811 -5.416 13.085 1.00 0.00 H new ATOM 525 N ALA A 36 70.218 -7.442 10.593 1.00 0.00 N ATOM 526 CA ALA A 36 70.264 -7.504 9.132 1.00 0.00 C ATOM 527 C ALA A 36 71.503 -6.787 8.601 1.00 0.00 C ATOM 528 O ALA A 36 72.207 -6.116 9.358 1.00 0.00 O ATOM 529 CB ALA A 36 69.011 -6.855 8.548 1.00 0.00 C ATOM 0 H ALA A 36 69.613 -6.711 10.967 1.00 0.00 H new ATOM 0 HA ALA A 36 70.309 -8.551 8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.050 -6.903 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.127 -7.385 8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.960 -5.813 8.863 1.00 0.00 H new ATOM 535 N ARG A 37 71.773 -6.940 7.299 1.00 0.00 N ATOM 536 CA ARG A 37 72.946 -6.304 6.685 1.00 0.00 C ATOM 537 C ARG A 37 72.590 -5.588 5.380 1.00 0.00 C ATOM 538 O ARG A 37 71.853 -6.111 4.542 1.00 0.00 O ATOM 539 CB ARG A 37 74.019 -7.359 6.408 1.00 0.00 C ATOM 540 CG ARG A 37 74.524 -7.931 7.734 1.00 0.00 C ATOM 541 CD ARG A 37 75.572 -9.012 7.464 1.00 0.00 C ATOM 542 NE ARG A 37 74.947 -10.184 6.863 1.00 0.00 N ATOM 543 CZ ARG A 37 75.663 -11.256 6.540 1.00 0.00 C ATOM 544 NH1 ARG A 37 75.606 -11.741 5.330 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.430 -11.821 7.435 1.00 0.00 N ATOM 0 H ARG A 37 71.204 -7.491 6.657 1.00 0.00 H new ATOM 0 HA ARG A 37 73.322 -5.559 7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 37 73.609 -8.156 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 37 74.845 -6.916 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 37 74.956 -7.137 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.692 -8.351 8.300 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.344 -8.622 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.064 -9.291 8.395 1.00 0.00 H new ATOM 0 HE ARG A 37 73.942 -10.181 6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 75.011 -11.297 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 37 76.156 -12.564 5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.478 -11.439 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 37 76.980 -12.644 7.189 1.00 0.00 H new ATOM 559 N TRP A 38 73.153 -4.390 5.224 1.00 0.00 N ATOM 560 CA TRP A 38 72.954 -3.559 4.032 1.00 0.00 C ATOM 561 C TRP A 38 74.316 -3.364 3.360 1.00 0.00 C ATOM 562 O TRP A 38 75.315 -3.165 4.050 1.00 0.00 O ATOM 563 CB TRP A 38 72.364 -2.211 4.472 1.00 0.00 C ATOM 564 CG TRP A 38 72.066 -1.337 3.294 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.820 -0.287 2.905 1.00 0.00 C ATOM 566 CD2 TRP A 38 70.940 -1.395 2.369 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.236 0.303 1.799 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.076 -0.345 1.429 1.00 0.00 C ATOM 569 CE3 TRP A 38 69.829 -2.247 2.253 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.141 -0.149 0.408 1.00 0.00 C ATOM 571 CZ3 TRP A 38 68.887 -2.053 1.229 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.042 -1.006 0.309 1.00 0.00 C ATOM 0 H TRP A 38 73.763 -3.965 5.923 1.00 0.00 H new ATOM 0 HA TRP A 38 72.269 -4.028 3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 38 71.451 -2.380 5.042 1.00 0.00 H new ATOM 0 HB3 TRP A 38 73.065 -1.704 5.136 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.733 0.040 3.381 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.616 1.117 1.316 1.00 0.00 H new ATOM 0 HE3 TRP A 38 69.698 -3.057 2.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.267 0.658 -0.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.037 -2.715 1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.313 -0.862 -0.475 1.00 0.00 H new ATOM 583 N ALA A 39 74.387 -3.456 2.029 1.00 0.00 N ATOM 584 CA ALA A 39 75.684 -3.318 1.366 1.00 0.00 C ATOM 585 C ALA A 39 75.555 -3.204 -0.152 1.00 0.00 C ATOM 586 O ALA A 39 74.512 -3.502 -0.726 1.00 0.00 O ATOM 587 CB ALA A 39 76.547 -4.537 1.698 1.00 0.00 C ATOM 0 H ALA A 39 73.593 -3.619 1.410 1.00 0.00 H new ATOM 0 HA ALA A 39 76.142 -2.399 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.516 -4.442 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.691 -4.598 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.050 -5.441 1.347 1.00 0.00 H new ATOM 593 N LEU A 40 76.654 -2.786 -0.790 1.00 0.00 N ATOM 594 CA LEU A 40 76.709 -2.648 -2.249 1.00 0.00 C ATOM 595 C LEU A 40 78.034 -3.208 -2.757 1.00 0.00 C ATOM 596 O LEU A 40 79.104 -2.762 -2.339 1.00 0.00 O ATOM 597 CB LEU A 40 76.588 -1.172 -2.650 1.00 0.00 C ATOM 598 CG LEU A 40 76.403 -1.042 -4.177 1.00 0.00 C ATOM 599 CD1 LEU A 40 75.888 0.366 -4.504 1.00 0.00 C ATOM 600 CD2 LEU A 40 77.740 -1.292 -4.919 1.00 0.00 C ATOM 0 H LEU A 40 77.522 -2.536 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 40 75.880 -3.200 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 40 75.742 -0.717 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 40 77.480 -0.630 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 40 75.683 -1.790 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 75.755 0.464 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 74.933 0.529 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 76.609 1.107 -4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 40 77.584 -1.195 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 40 78.480 -0.561 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.099 -2.296 -4.694 1.00 0.00 H new ATOM 612 N GLY A 41 77.964 -4.185 -3.655 1.00 0.00 N ATOM 613 CA GLY A 41 79.173 -4.788 -4.201 1.00 0.00 C ATOM 614 C GLY A 41 79.782 -5.782 -3.215 1.00 0.00 C ATOM 615 O GLY A 41 80.931 -6.199 -3.369 1.00 0.00 O ATOM 0 H GLY A 41 77.093 -4.572 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.940 -5.295 -5.137 1.00 0.00 H new ATOM 0 HA3 GLY A 41 79.899 -4.009 -4.433 1.00 0.00 H new ATOM 619 N GLY A 42 79.001 -6.162 -2.206 1.00 0.00 N ATOM 620 CA GLY A 42 79.468 -7.117 -1.200 1.00 0.00 C ATOM 621 C GLY A 42 80.251 -6.424 -0.087 1.00 0.00 C ATOM 622 O GLY A 42 80.788 -7.084 0.802 1.00 0.00 O ATOM 0 H GLY A 42 78.048 -5.827 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.614 -7.642 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.098 -7.868 -1.676 1.00 0.00 H new ATOM 626 N VAL A 43 80.317 -5.094 -0.143 1.00 0.00 N ATOM 627 CA VAL A 43 81.046 -4.316 0.868 1.00 0.00 C ATOM 628 C VAL A 43 80.070 -3.464 1.698 1.00 0.00 C ATOM 629 O VAL A 43 79.247 -2.750 1.122 1.00 0.00 O ATOM 630 CB VAL A 43 82.044 -3.386 0.173 1.00 0.00 C ATOM 631 CG1 VAL A 43 82.994 -2.782 1.210 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.855 -4.177 -0.857 1.00 0.00 C ATOM 0 H VAL A 43 79.878 -4.532 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 43 81.570 -5.008 1.528 1.00 0.00 H new ATOM 0 HB VAL A 43 81.498 -2.587 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.703 -2.121 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 43 82.420 -2.214 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.536 -3.581 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.564 -3.512 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 43 83.397 -4.979 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.182 -4.604 -1.600 1.00 0.00 H new ATOM 642 N PRO A 44 80.132 -3.492 3.018 1.00 0.00 N ATOM 643 CA PRO A 44 79.210 -2.663 3.846 1.00 0.00 C ATOM 644 C PRO A 44 79.368 -1.183 3.497 1.00 0.00 C ATOM 645 O PRO A 44 80.467 -0.728 3.180 1.00 0.00 O ATOM 646 CB PRO A 44 79.613 -2.929 5.315 1.00 0.00 C ATOM 647 CG PRO A 44 80.750 -3.925 5.300 1.00 0.00 C ATOM 648 CD PRO A 44 81.053 -4.302 3.838 1.00 0.00 C ATOM 0 HA PRO A 44 78.165 -2.918 3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 44 79.920 -2.004 5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 44 78.767 -3.321 5.880 1.00 0.00 H new ATOM 0 HG2 PRO A 44 81.635 -3.497 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.482 -4.813 5.872 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.092 -4.089 3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.895 -5.367 3.668 1.00 0.00 H new ATOM 656 N LEU A 45 78.271 -0.435 3.540 1.00 0.00 N ATOM 657 CA LEU A 45 78.328 0.984 3.207 1.00 0.00 C ATOM 658 C LEU A 45 78.911 1.787 4.367 1.00 0.00 C ATOM 659 O LEU A 45 78.776 1.406 5.530 1.00 0.00 O ATOM 660 CB LEU A 45 76.930 1.511 2.861 1.00 0.00 C ATOM 661 CG LEU A 45 76.217 0.559 1.884 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.042 1.285 1.231 1.00 0.00 C ATOM 663 CD2 LEU A 45 77.172 0.071 0.788 1.00 0.00 C ATOM 0 H LEU A 45 77.346 -0.780 3.798 1.00 0.00 H new ATOM 0 HA LEU A 45 78.976 1.101 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 76.340 1.615 3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.009 2.503 2.417 1.00 0.00 H new ATOM 0 HG LEU A 45 75.864 -0.304 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 45 74.537 0.611 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 45 74.341 1.607 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.409 2.155 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.640 -0.600 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 45 77.549 0.926 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 45 78.007 -0.461 1.244 1.00 0.00 H new ATOM 675 N GLN A 46 79.565 2.901 4.040 1.00 0.00 N ATOM 676 CA GLN A 46 80.179 3.765 5.053 1.00 0.00 C ATOM 677 C GLN A 46 79.741 5.215 4.852 1.00 0.00 C ATOM 678 O GLN A 46 79.387 5.620 3.744 1.00 0.00 O ATOM 679 CB GLN A 46 81.703 3.664 4.953 1.00 0.00 C ATOM 680 CG GLN A 46 82.149 4.069 3.548 1.00 0.00 C ATOM 681 CD GLN A 46 83.641 3.801 3.377 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.161 2.827 3.921 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.363 4.607 2.648 1.00 0.00 N ATOM 0 H GLN A 46 79.684 3.228 3.081 1.00 0.00 H new ATOM 0 HA GLN A 46 79.856 3.438 6.041 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.171 4.311 5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.026 2.646 5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 46 81.583 3.510 2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.939 5.126 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 46 83.930 5.414 2.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.360 4.431 2.528 1.00 0.00 H new ATOM 692 N ALA A 47 79.756 5.986 5.935 1.00 0.00 N ATOM 693 CA ALA A 47 79.345 7.384 5.875 1.00 0.00 C ATOM 694 C ALA A 47 80.345 8.227 5.089 1.00 0.00 C ATOM 695 O ALA A 47 81.183 8.919 5.668 1.00 0.00 O ATOM 696 CB ALA A 47 79.213 7.943 7.292 1.00 0.00 C ATOM 0 H ALA A 47 80.047 5.668 6.860 1.00 0.00 H new ATOM 0 HA ALA A 47 78.384 7.430 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.906 8.988 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 78.466 7.370 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 47 80.173 7.870 7.803 1.00 0.00 H new ATOM 702 N ASN A 48 80.235 8.176 3.765 1.00 0.00 N ATOM 703 CA ASN A 48 81.119 8.951 2.899 1.00 0.00 C ATOM 704 C ASN A 48 80.667 10.409 2.874 1.00 0.00 C ATOM 705 O ASN A 48 79.587 10.738 3.362 1.00 0.00 O ATOM 706 CB ASN A 48 81.102 8.379 1.478 1.00 0.00 C ATOM 707 CG ASN A 48 82.295 8.903 0.684 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.349 9.183 1.256 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.192 9.049 -0.608 1.00 0.00 N ATOM 0 H ASN A 48 79.546 7.609 3.270 1.00 0.00 H new ATOM 0 HA ASN A 48 82.135 8.894 3.290 1.00 0.00 H new ATOM 0 HB2 ASN A 48 81.132 7.290 1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.174 8.655 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 48 82.986 9.396 -1.147 1.00 0.00 H new ATOM 0 HD22 ASN A 48 81.318 8.816 -1.079 1.00 0.00 H new ATOM 716 N GLU A 49 81.498 11.280 2.312 1.00 0.00 N ATOM 717 CA GLU A 49 81.163 12.700 2.244 1.00 0.00 C ATOM 718 C GLU A 49 79.968 12.941 1.321 1.00 0.00 C ATOM 719 O GLU A 49 79.132 13.804 1.593 1.00 0.00 O ATOM 720 CB GLU A 49 82.374 13.501 1.755 1.00 0.00 C ATOM 721 CG GLU A 49 82.771 13.033 0.354 1.00 0.00 C ATOM 722 CD GLU A 49 84.052 13.736 -0.085 1.00 0.00 C ATOM 723 OE1 GLU A 49 84.929 13.899 0.748 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.137 14.098 -1.247 1.00 0.00 O1- ATOM 0 H GLU A 49 82.398 11.033 1.901 1.00 0.00 H new ATOM 0 HA GLU A 49 80.891 13.033 3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.136 14.565 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 83.210 13.371 2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.919 11.953 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 49 81.968 13.247 -0.352 1.00 0.00 H new ATOM 731 N MET A 50 79.892 12.184 0.227 1.00 0.00 N ATOM 732 CA MET A 50 78.792 12.340 -0.728 1.00 0.00 C ATOM 733 C MET A 50 77.585 11.494 -0.326 1.00 0.00 C ATOM 734 O MET A 50 76.462 11.761 -0.752 1.00 0.00 O ATOM 735 CB MET A 50 79.262 11.936 -2.130 1.00 0.00 C ATOM 736 CG MET A 50 79.497 10.422 -2.189 1.00 0.00 C ATOM 737 SD MET A 50 80.252 9.992 -3.776 1.00 0.00 S ATOM 738 CE MET A 50 80.250 8.198 -3.547 1.00 0.00 C ATOM 0 H MET A 50 80.570 11.463 -0.020 1.00 0.00 H new ATOM 0 HA MET A 50 78.489 13.387 -0.728 1.00 0.00 H new ATOM 0 HB2 MET A 50 78.516 12.225 -2.870 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.181 12.465 -2.381 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.145 10.111 -1.369 1.00 0.00 H new ATOM 0 HG3 MET A 50 78.553 9.891 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.194 7.707 -4.519 1.00 0.00 H new ATOM 0 HE2 MET A 50 81.166 7.895 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.389 7.909 -2.944 1.00 0.00 H new ATOM 748 N ASN A 51 77.827 10.468 0.491 1.00 0.00 N ATOM 749 CA ASN A 51 76.755 9.577 0.947 1.00 0.00 C ATOM 750 C ASN A 51 76.364 9.907 2.383 1.00 0.00 C ATOM 751 O ASN A 51 77.210 10.299 3.189 1.00 0.00 O ATOM 752 CB ASN A 51 77.224 8.120 0.871 1.00 0.00 C ATOM 753 CG ASN A 51 76.051 7.182 1.128 1.00 0.00 C ATOM 754 OD1 ASN A 51 74.942 7.635 1.414 1.00 0.00 O ATOM 755 ND2 ASN A 51 76.230 5.893 1.041 1.00 0.00 N ATOM 0 H ASN A 51 78.752 10.232 0.851 1.00 0.00 H new ATOM 0 HA ASN A 51 75.888 9.718 0.301 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.654 7.918 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 51 78.010 7.943 1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.450 5.257 1.210 1.00 0.00 H new ATOM 0 HD22 ASN A 51 77.150 5.521 0.804 1.00 0.00 H new ATOM 762 N ASP A 52 75.079 9.742 2.705 1.00 0.00 N ATOM 763 CA ASP A 52 74.589 10.022 4.055 1.00 0.00 C ATOM 764 C ASP A 52 73.599 8.950 4.479 1.00 0.00 C ATOM 765 O ASP A 52 72.527 8.816 3.892 1.00 0.00 O ATOM 766 CB ASP A 52 73.906 11.390 4.097 1.00 0.00 C ATOM 767 CG ASP A 52 74.944 12.500 3.970 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.550 13.628 3.727 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.119 12.207 4.117 1.00 0.00 O1- ATOM 0 H ASP A 52 74.364 9.418 2.054 1.00 0.00 H new ATOM 0 HA ASP A 52 75.437 10.025 4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.179 11.467 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 52 73.356 11.502 5.031 1.00 0.00 H new ATOM 774 N ILE A 53 73.963 8.186 5.503 1.00 0.00 N ATOM 775 CA ILE A 53 73.097 7.120 6.004 1.00 0.00 C ATOM 776 C ILE A 53 72.513 7.524 7.347 1.00 0.00 C ATOM 777 O ILE A 53 73.246 7.879 8.272 1.00 0.00 O ATOM 778 CB ILE A 53 73.908 5.829 6.151 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.567 5.510 4.810 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.994 4.665 6.548 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.368 4.217 4.929 1.00 0.00 C ATOM 0 H ILE A 53 74.847 8.283 6.002 1.00 0.00 H new ATOM 0 HA ILE A 53 72.282 6.952 5.300 1.00 0.00 H new ATOM 0 HB ILE A 53 74.662 5.965 6.926 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.807 5.409 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.221 6.329 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.586 3.755 6.648 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.511 4.890 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.234 4.521 5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.838 3.990 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 53 76.138 4.335 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.702 3.401 5.208 1.00 0.00 H new ATOM 793 N THR A 54 71.188 7.475 7.453 1.00 0.00 N ATOM 794 CA THR A 54 70.520 7.847 8.698 1.00 0.00 C ATOM 795 C THR A 54 69.289 6.980 8.935 1.00 0.00 C ATOM 796 O THR A 54 68.677 6.476 7.994 1.00 0.00 O ATOM 797 CB THR A 54 70.106 9.319 8.642 1.00 0.00 C ATOM 798 OG1 THR A 54 69.571 9.710 9.898 1.00 0.00 O ATOM 799 CG2 THR A 54 69.052 9.514 7.553 1.00 0.00 C ATOM 0 H THR A 54 70.561 7.185 6.702 1.00 0.00 H new ATOM 0 HA THR A 54 71.217 7.691 9.521 1.00 0.00 H new ATOM 0 HB THR A 54 70.978 9.932 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.308 10.653 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.758 10.563 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 54 69.466 9.217 6.589 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.179 8.901 7.777 1.00 0.00 H new ATOM 807 N VAL A 55 68.932 6.817 10.205 1.00 0.00 N ATOM 808 CA VAL A 55 67.769 6.017 10.584 1.00 0.00 C ATOM 809 C VAL A 55 66.622 6.940 10.973 1.00 0.00 C ATOM 810 O VAL A 55 66.804 7.875 11.750 1.00 0.00 O ATOM 811 CB VAL A 55 68.125 5.107 11.760 1.00 0.00 C ATOM 812 CG1 VAL A 55 68.461 5.960 12.986 1.00 0.00 C ATOM 813 CG2 VAL A 55 66.937 4.198 12.083 1.00 0.00 C ATOM 0 H VAL A 55 69.432 7.229 10.993 1.00 0.00 H new ATOM 0 HA VAL A 55 67.465 5.400 9.738 1.00 0.00 H new ATOM 0 HB VAL A 55 68.988 4.497 11.495 1.00 0.00 H new ATOM 0 HG11 VAL A 55 68.714 5.310 13.823 1.00 0.00 H new ATOM 0 HG12 VAL A 55 69.309 6.606 12.759 1.00 0.00 H new ATOM 0 HG13 VAL A 55 67.599 6.573 13.250 1.00 0.00 H new ATOM 0 HG21 VAL A 55 67.192 3.550 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.073 4.808 12.346 1.00 0.00 H new ATOM 0 HG23 VAL A 55 66.699 3.588 11.212 1.00 0.00 H new ATOM 823 N GLU A 56 65.442 6.683 10.411 1.00 0.00 N ATOM 824 CA GLU A 56 64.267 7.510 10.689 1.00 0.00 C ATOM 825 C GLU A 56 63.235 6.720 11.486 1.00 0.00 C ATOM 826 O GLU A 56 63.457 5.556 11.826 1.00 0.00 O ATOM 827 CB GLU A 56 63.656 7.977 9.370 1.00 0.00 C ATOM 828 CG GLU A 56 64.666 8.868 8.643 1.00 0.00 C ATOM 829 CD GLU A 56 64.112 9.295 7.289 1.00 0.00 C ATOM 830 OE1 GLU A 56 62.980 8.950 6.998 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.832 9.961 6.561 1.00 0.00 O1- ATOM 0 H GLU A 56 65.274 5.913 9.764 1.00 0.00 H new ATOM 0 HA GLU A 56 64.572 8.374 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.396 7.119 8.750 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.733 8.527 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.887 9.748 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.604 8.331 8.507 1.00 0.00 H new ATOM 838 N GLN A 57 62.111 7.361 11.787 1.00 0.00 N ATOM 839 CA GLN A 57 61.054 6.712 12.550 1.00 0.00 C ATOM 840 C GLN A 57 60.490 5.525 11.779 1.00 0.00 C ATOM 841 O GLN A 57 60.529 5.495 10.549 1.00 0.00 O ATOM 842 CB GLN A 57 59.939 7.712 12.844 1.00 0.00 C ATOM 843 CG GLN A 57 60.476 8.802 13.772 1.00 0.00 C ATOM 844 CD GLN A 57 59.389 9.832 14.055 1.00 0.00 C ATOM 845 OE1 GLN A 57 58.953 10.541 13.149 1.00 0.00 O ATOM 846 NE2 GLN A 57 58.925 9.956 15.268 1.00 0.00 N ATOM 0 H GLN A 57 61.910 8.324 11.516 1.00 0.00 H new ATOM 0 HA GLN A 57 61.474 6.351 13.489 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.576 8.154 11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.093 7.206 13.309 1.00 0.00 H new ATOM 0 HG2 GLN A 57 60.819 8.358 14.706 1.00 0.00 H new ATOM 0 HG3 GLN A 57 61.338 9.288 13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 57 59.289 9.366 16.016 1.00 0.00 H new ATOM 0 HE22 GLN A 57 58.198 10.643 15.468 1.00 0.00 H new ATOM 855 N GLY A 58 59.982 4.543 12.512 1.00 0.00 N ATOM 856 CA GLY A 58 59.429 3.351 11.886 1.00 0.00 C ATOM 857 C GLY A 58 60.554 2.435 11.428 1.00 0.00 C ATOM 858 O GLY A 58 60.325 1.453 10.722 1.00 0.00 O ATOM 0 H GLY A 58 59.942 4.548 13.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 58.785 2.825 12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 58 58.808 3.632 11.035 1.00 0.00 H new ATOM 862 N THR A 59 61.773 2.771 11.839 1.00 0.00 N ATOM 863 CA THR A 59 62.940 1.982 11.473 1.00 0.00 C ATOM 864 C THR A 59 63.210 2.083 9.969 1.00 0.00 C ATOM 865 O THR A 59 63.576 1.097 9.324 1.00 0.00 O ATOM 866 CB THR A 59 62.724 0.519 11.885 1.00 0.00 C ATOM 867 OG1 THR A 59 61.973 0.477 13.090 1.00 0.00 O ATOM 868 CG2 THR A 59 64.076 -0.174 12.096 1.00 0.00 C ATOM 0 H THR A 59 61.976 3.582 12.424 1.00 0.00 H new ATOM 0 HA THR A 59 63.811 2.374 11.998 1.00 0.00 H new ATOM 0 HB THR A 59 62.181 -0.000 11.095 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.832 -0.456 13.355 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.912 -1.211 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.649 -0.144 11.169 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.630 0.340 12.881 1.00 0.00 H new ATOM 876 N LEU A 60 63.014 3.283 9.420 1.00 0.00 N ATOM 877 CA LEU A 60 63.228 3.520 7.989 1.00 0.00 C ATOM 878 C LEU A 60 64.638 4.056 7.708 1.00 0.00 C ATOM 879 O LEU A 60 65.080 5.027 8.322 1.00 0.00 O ATOM 880 CB LEU A 60 62.180 4.528 7.475 1.00 0.00 C ATOM 881 CG LEU A 60 60.907 3.794 7.046 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.328 3.022 8.231 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.879 4.808 6.541 1.00 0.00 C ATOM 0 H LEU A 60 62.708 4.104 9.942 1.00 0.00 H new ATOM 0 HA LEU A 60 63.122 2.568 7.469 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.946 5.251 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.586 5.089 6.633 1.00 0.00 H new ATOM 0 HG LEU A 60 61.148 3.093 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.422 2.502 7.919 1.00 0.00 H new ATOM 0 HD12 LEU A 60 61.060 2.296 8.585 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.088 3.717 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.972 4.286 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.641 5.512 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.290 5.350 5.689 1.00 0.00 H new ATOM 895 N HIS A 61 65.316 3.433 6.742 1.00 0.00 N ATOM 896 CA HIS A 61 66.655 3.867 6.341 1.00 0.00 C ATOM 897 C HIS A 61 66.524 4.875 5.202 1.00 0.00 C ATOM 898 O HIS A 61 65.502 4.897 4.512 1.00 0.00 O ATOM 899 CB HIS A 61 67.482 2.668 5.864 1.00 0.00 C ATOM 900 CG HIS A 61 67.608 1.661 6.976 1.00 0.00 C ATOM 901 ND1 HIS A 61 66.837 0.509 7.018 1.00 0.00 N ATOM 902 CD2 HIS A 61 68.411 1.616 8.088 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.191 -0.175 8.122 1.00 0.00 C ATOM 904 NE2 HIS A 61 68.146 0.456 8.810 1.00 0.00 N ATOM 0 H HIS A 61 64.961 2.629 6.225 1.00 0.00 H new ATOM 0 HA HIS A 61 67.157 4.323 7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 61 67.007 2.209 4.997 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.471 2.999 5.547 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.138 2.367 8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.756 -1.119 8.416 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.587 0.153 9.678 1.00 0.00 H new ATOM 912 N LEU A 62 67.545 5.710 4.998 1.00 0.00 N ATOM 913 CA LEU A 62 67.482 6.704 3.924 1.00 0.00 C ATOM 914 C LEU A 62 68.874 7.146 3.485 1.00 0.00 C ATOM 915 O LEU A 62 69.590 7.831 4.222 1.00 0.00 O ATOM 916 CB LEU A 62 66.670 7.923 4.392 1.00 0.00 C ATOM 917 CG LEU A 62 66.640 9.011 3.303 1.00 0.00 C ATOM 918 CD1 LEU A 62 66.088 8.438 1.988 1.00 0.00 C ATOM 919 CD2 LEU A 62 65.745 10.164 3.775 1.00 0.00 C ATOM 0 H LEU A 62 68.405 5.720 5.547 1.00 0.00 H new ATOM 0 HA LEU A 62 66.993 6.242 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.652 7.616 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.107 8.328 5.305 1.00 0.00 H new ATOM 0 HG LEU A 62 67.654 9.371 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.073 9.220 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 62 66.724 7.618 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.075 8.069 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 62 65.717 10.940 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 62 64.736 9.792 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 66.145 10.580 4.700 1.00 0.00 H new ATOM 931 N LEU A 63 69.232 6.753 2.261 1.00 0.00 N ATOM 932 CA LEU A 63 70.516 7.109 1.671 1.00 0.00 C ATOM 933 C LEU A 63 70.352 8.328 0.776 1.00 0.00 C ATOM 934 O LEU A 63 69.665 8.267 -0.242 1.00 0.00 O ATOM 935 CB LEU A 63 71.045 5.929 0.842 1.00 0.00 C ATOM 936 CG LEU A 63 71.743 4.907 1.746 1.00 0.00 C ATOM 937 CD1 LEU A 63 70.884 4.605 2.979 1.00 0.00 C ATOM 938 CD2 LEU A 63 71.962 3.616 0.959 1.00 0.00 C ATOM 0 H LEU A 63 68.641 6.182 1.657 1.00 0.00 H new ATOM 0 HA LEU A 63 71.225 7.341 2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.221 5.451 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.743 6.291 0.087 1.00 0.00 H new ATOM 0 HG LEU A 63 72.698 5.318 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.395 3.877 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.722 5.523 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 63 69.923 4.199 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.458 2.882 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.000 3.221 0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.584 3.822 0.088 1.00 0.00 H new ATOM 950 N THR A 64 70.996 9.429 1.147 1.00 0.00 N ATOM 951 CA THR A 64 70.929 10.652 0.354 1.00 0.00 C ATOM 952 C THR A 64 72.279 10.902 -0.299 1.00 0.00 C ATOM 953 O THR A 64 73.183 11.476 0.312 1.00 0.00 O ATOM 954 CB THR A 64 70.557 11.839 1.245 1.00 0.00 C ATOM 955 OG1 THR A 64 69.329 11.563 1.905 1.00 0.00 O ATOM 956 CG2 THR A 64 70.403 13.097 0.387 1.00 0.00 C ATOM 0 H THR A 64 71.568 9.500 1.988 1.00 0.00 H new ATOM 0 HA THR A 64 70.165 10.539 -0.416 1.00 0.00 H new ATOM 0 HB THR A 64 71.342 12.000 1.983 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.088 12.321 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.138 13.941 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.343 13.308 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.618 12.939 -0.352 1.00 0.00 H new ATOM 964 N LEU A 65 72.408 10.457 -1.545 1.00 0.00 N ATOM 965 CA LEU A 65 73.653 10.626 -2.297 1.00 0.00 C ATOM 966 C LEU A 65 73.444 11.688 -3.370 1.00 0.00 C ATOM 967 O LEU A 65 72.553 11.564 -4.211 1.00 0.00 O ATOM 968 CB LEU A 65 74.043 9.291 -2.942 1.00 0.00 C ATOM 969 CG LEU A 65 75.526 9.293 -3.349 1.00 0.00 C ATOM 970 CD1 LEU A 65 75.946 7.864 -3.705 1.00 0.00 C ATOM 971 CD2 LEU A 65 75.757 10.219 -4.555 1.00 0.00 C ATOM 0 H LEU A 65 71.668 9.977 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 65 74.454 10.942 -1.629 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.854 8.476 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.421 9.110 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 65 76.124 9.661 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 76.997 7.855 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 65 75.803 7.217 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.338 7.502 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 76.812 10.206 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.161 9.873 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.462 11.236 -4.295 1.00 0.00 H new ATOM 983 N HIS A 66 74.247 12.745 -3.322 1.00 0.00 N ATOM 984 CA HIS A 66 74.112 13.834 -4.283 1.00 0.00 C ATOM 985 C HIS A 66 74.775 13.508 -5.621 1.00 0.00 C ATOM 986 O HIS A 66 74.116 13.043 -6.551 1.00 0.00 O ATOM 987 CB HIS A 66 74.716 15.115 -3.704 1.00 0.00 C ATOM 988 CG HIS A 66 74.451 16.255 -4.648 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.165 16.655 -4.974 1.00 0.00 N ATOM 990 CD2 HIS A 66 75.291 17.090 -5.344 1.00 0.00 C ATOM 991 CE1 HIS A 66 73.265 17.687 -5.831 1.00 0.00 C ATOM 992 NE2 HIS A 66 74.540 17.993 -6.090 1.00 0.00 N ATOM 0 H HIS A 66 74.991 12.871 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 66 73.048 13.976 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 66 74.282 15.327 -2.727 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.789 14.991 -3.556 1.00 0.00 H new ATOM 0 HD2 HIS A 66 76.370 17.051 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 66 72.419 18.205 -6.258 1.00 0.00 H new ATOM 0 HE2 HIS A 66 74.888 18.730 -6.703 1.00 0.00 H new ATOM 1000 N LYS A 67 76.073 13.779 -5.720 1.00 0.00 N ATOM 1001 CA LYS A 67 76.807 13.539 -6.953 1.00 0.00 C ATOM 1002 C LYS A 67 77.089 12.047 -7.124 1.00 0.00 C ATOM 1003 O LYS A 67 77.939 11.481 -6.436 1.00 0.00 O ATOM 1004 CB LYS A 67 78.131 14.332 -6.908 1.00 0.00 C ATOM 1005 CG LYS A 67 78.556 14.785 -8.313 1.00 0.00 C ATOM 1006 CD LYS A 67 78.903 13.580 -9.187 1.00 0.00 C ATOM 1007 CE LYS A 67 79.429 14.080 -10.535 1.00 0.00 C ATOM 1008 NZ LYS A 67 79.937 12.930 -11.333 1.00 0.00 N1+ ATOM 0 H LYS A 67 76.635 14.164 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 67 76.210 13.870 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.015 15.202 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 67 78.914 13.713 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 67 77.751 15.356 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 67 79.418 15.449 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.654 12.962 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 78.022 12.955 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 67 78.635 14.590 -11.080 1.00 0.00 H new ATOM 0 HE3 LYS A 67 80.226 14.807 -10.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 79.863 13.151 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 80.932 12.751 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 79.371 12.084 -11.121 1.00 0.00 H new ATOM 1022 N VAL A 68 76.372 11.424 -8.052 1.00 0.00 N ATOM 1023 CA VAL A 68 76.549 9.997 -8.327 1.00 0.00 C ATOM 1024 C VAL A 68 77.634 9.802 -9.380 1.00 0.00 C ATOM 1025 O VAL A 68 77.895 10.693 -10.187 1.00 0.00 O ATOM 1026 CB VAL A 68 75.221 9.376 -8.805 1.00 0.00 C ATOM 1027 CG1 VAL A 68 74.992 9.668 -10.295 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.258 7.859 -8.594 1.00 0.00 C ATOM 0 H VAL A 68 75.664 11.880 -8.627 1.00 0.00 H new ATOM 0 HA VAL A 68 76.854 9.495 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 68 74.407 9.815 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 68 74.050 9.221 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 68 74.954 10.746 -10.453 1.00 0.00 H new ATOM 0 HG13 VAL A 68 75.809 9.244 -10.879 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.319 7.422 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 68 76.083 7.432 -9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.399 7.642 -7.535 1.00 0.00 H new ATOM 1038 N THR A 69 78.260 8.630 -9.371 1.00 0.00 N ATOM 1039 CA THR A 69 79.319 8.319 -10.331 1.00 0.00 C ATOM 1040 C THR A 69 79.059 6.959 -10.970 1.00 0.00 C ATOM 1041 O THR A 69 78.369 6.116 -10.395 1.00 0.00 O ATOM 1042 CB THR A 69 80.674 8.302 -9.613 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.685 7.258 -8.648 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.903 9.644 -8.915 1.00 0.00 C ATOM 0 H THR A 69 78.055 7.879 -8.712 1.00 0.00 H new ATOM 0 HA THR A 69 79.331 9.081 -11.110 1.00 0.00 H new ATOM 0 HB THR A 69 81.467 8.134 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.551 7.245 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.866 9.629 -8.406 1.00 0.00 H new ATOM 0 HG22 THR A 69 80.896 10.445 -9.655 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.110 9.815 -8.187 1.00 0.00 H new ATOM 1052 N LEU A 70 79.619 6.744 -12.158 1.00 0.00 N ATOM 1053 CA LEU A 70 79.437 5.474 -12.851 1.00 0.00 C ATOM 1054 C LEU A 70 79.972 4.342 -11.986 1.00 0.00 C ATOM 1055 O LEU A 70 79.482 3.214 -12.043 1.00 0.00 O ATOM 1056 CB LEU A 70 80.190 5.483 -14.189 1.00 0.00 C ATOM 1057 CG LEU A 70 79.549 6.480 -15.164 1.00 0.00 C ATOM 1058 CD1 LEU A 70 80.461 6.635 -16.386 1.00 0.00 C ATOM 1059 CD2 LEU A 70 78.160 5.980 -15.615 1.00 0.00 C ATOM 0 H LEU A 70 80.195 7.424 -12.655 1.00 0.00 H new ATOM 0 HA LEU A 70 78.374 5.328 -13.040 1.00 0.00 H new ATOM 0 HB2 LEU A 70 81.234 5.749 -14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 70 80.181 4.484 -14.624 1.00 0.00 H new ATOM 0 HG LEU A 70 79.425 7.441 -14.664 1.00 0.00 H new ATOM 0 HD11 LEU A 70 80.015 7.342 -17.086 1.00 0.00 H new ATOM 0 HD12 LEU A 70 81.436 7.005 -16.068 1.00 0.00 H new ATOM 0 HD13 LEU A 70 80.582 5.668 -16.875 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.721 6.700 -16.306 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.264 5.016 -16.113 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.513 5.871 -14.745 1.00 0.00 H new ATOM 1071 N GLU A 71 80.976 4.662 -11.179 1.00 0.00 N ATOM 1072 CA GLU A 71 81.582 3.675 -10.288 1.00 0.00 C ATOM 1073 C GLU A 71 80.586 3.268 -9.208 1.00 0.00 C ATOM 1074 O GLU A 71 80.554 2.113 -8.781 1.00 0.00 O ATOM 1075 CB GLU A 71 82.845 4.265 -9.643 1.00 0.00 C ATOM 1076 CG GLU A 71 83.534 3.225 -8.746 1.00 0.00 C ATOM 1077 CD GLU A 71 84.136 2.109 -9.597 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.600 1.137 -9.021 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.128 2.241 -10.809 1.00 0.00 O1- ATOM 0 H GLU A 71 81.388 5.593 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 71 81.856 2.792 -10.866 1.00 0.00 H new ATOM 0 HB2 GLU A 71 83.535 4.597 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.582 5.143 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 71 84.315 3.704 -8.156 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.814 2.807 -8.042 1.00 0.00 H new ATOM 1086 N ASP A 72 79.778 4.224 -8.771 1.00 0.00 N ATOM 1087 CA ASP A 72 78.784 3.959 -7.737 1.00 0.00 C ATOM 1088 C ASP A 72 77.783 2.913 -8.212 1.00 0.00 C ATOM 1089 O ASP A 72 77.271 2.129 -7.414 1.00 0.00 O ATOM 1090 CB ASP A 72 78.050 5.250 -7.367 1.00 0.00 C ATOM 1091 CG ASP A 72 77.244 5.047 -6.087 1.00 0.00 C ATOM 1092 OD1 ASP A 72 77.571 4.137 -5.342 1.00 0.00 O ATOM 1093 OD2 ASP A 72 76.315 5.808 -5.868 1.00 0.00 O1- ATOM 0 H ASP A 72 79.790 5.185 -9.113 1.00 0.00 H new ATOM 0 HA ASP A 72 79.299 3.576 -6.856 1.00 0.00 H new ATOM 0 HB2 ASP A 72 78.768 6.059 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 72 77.387 5.546 -8.180 1.00 0.00 H new ATOM 1098 N ALA A 73 77.509 2.899 -9.515 1.00 0.00 N ATOM 1099 CA ALA A 73 76.569 1.930 -10.066 1.00 0.00 C ATOM 1100 C ALA A 73 77.003 0.517 -9.694 1.00 0.00 C ATOM 1101 O ALA A 73 78.193 0.203 -9.703 1.00 0.00 O ATOM 1102 CB ALA A 73 76.511 2.063 -11.589 1.00 0.00 C ATOM 0 H ALA A 73 77.918 3.537 -10.198 1.00 0.00 H new ATOM 0 HA ALA A 73 75.580 2.125 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 73 75.806 1.335 -11.991 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.185 3.069 -11.854 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.500 1.880 -12.008 1.00 0.00 H new ATOM 1108 N GLY A 74 76.037 -0.331 -9.361 1.00 0.00 N ATOM 1109 CA GLY A 74 76.347 -1.702 -8.979 1.00 0.00 C ATOM 1110 C GLY A 74 75.104 -2.415 -8.470 1.00 0.00 C ATOM 1111 O GLY A 74 73.995 -1.895 -8.568 1.00 0.00 O ATOM 0 H GLY A 74 75.044 -0.097 -9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.755 -2.239 -9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.115 -1.704 -8.206 1.00 0.00 H new ATOM 1115 N THR A 75 75.299 -3.617 -7.931 1.00 0.00 N ATOM 1116 CA THR A 75 74.186 -4.416 -7.413 1.00 0.00 C ATOM 1117 C THR A 75 74.108 -4.336 -5.891 1.00 0.00 C ATOM 1118 O THR A 75 75.047 -4.717 -5.192 1.00 0.00 O ATOM 1119 CB THR A 75 74.383 -5.880 -7.818 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.445 -5.972 -9.234 1.00 0.00 O ATOM 1121 CG2 THR A 75 73.219 -6.731 -7.299 1.00 0.00 C ATOM 0 H THR A 75 76.214 -4.059 -7.841 1.00 0.00 H new ATOM 0 HA THR A 75 73.261 -4.021 -7.832 1.00 0.00 H new ATOM 0 HB THR A 75 75.312 -6.249 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.573 -6.908 -9.496 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.369 -7.770 -7.592 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.175 -6.664 -6.212 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.284 -6.366 -7.723 1.00 0.00 H new ATOM 1129 N VAL A 76 72.973 -3.863 -5.379 1.00 0.00 N ATOM 1130 CA VAL A 76 72.781 -3.771 -3.933 1.00 0.00 C ATOM 1131 C VAL A 76 72.249 -5.102 -3.409 1.00 0.00 C ATOM 1132 O VAL A 76 71.300 -5.658 -3.963 1.00 0.00 O ATOM 1133 CB VAL A 76 71.786 -2.658 -3.597 1.00 0.00 C ATOM 1134 CG1 VAL A 76 71.828 -2.367 -2.096 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.149 -1.392 -4.378 1.00 0.00 C ATOM 0 H VAL A 76 72.181 -3.541 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 76 73.737 -3.542 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 76 70.781 -2.976 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 76 71.119 -1.574 -1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.563 -3.268 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 76 72.833 -2.051 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 76 71.439 -0.600 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 76 73.155 -1.073 -4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.111 -1.601 -5.447 1.00 0.00 H new ATOM 1145 N SER A 77 72.869 -5.622 -2.349 1.00 0.00 N ATOM 1146 CA SER A 77 72.454 -6.904 -1.771 1.00 0.00 C ATOM 1147 C SER A 77 71.987 -6.726 -0.331 1.00 0.00 C ATOM 1148 O SER A 77 72.474 -5.857 0.393 1.00 0.00 O ATOM 1149 CB SER A 77 73.632 -7.879 -1.792 1.00 0.00 C ATOM 1150 OG SER A 77 74.152 -7.964 -3.113 1.00 0.00 O ATOM 0 H SER A 77 73.656 -5.180 -1.874 1.00 0.00 H new ATOM 0 HA SER A 77 71.628 -7.295 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.408 -7.543 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.310 -8.863 -1.452 1.00 0.00 H new ATOM 0 HG SER A 77 74.908 -8.587 -3.127 1.00 0.00 H new ATOM 1156 N PHE A 78 71.042 -7.568 0.071 1.00 0.00 N ATOM 1157 CA PHE A 78 70.492 -7.534 1.426 1.00 0.00 C ATOM 1158 C PHE A 78 70.356 -8.956 1.954 1.00 0.00 C ATOM 1159 O PHE A 78 69.730 -9.802 1.315 1.00 0.00 O ATOM 1160 CB PHE A 78 69.122 -6.851 1.405 1.00 0.00 C ATOM 1161 CG PHE A 78 68.510 -6.871 2.788 1.00 0.00 C ATOM 1162 CD1 PHE A 78 67.464 -7.757 3.078 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.984 -6.001 3.776 1.00 0.00 C ATOM 1164 CE1 PHE A 78 66.890 -7.768 4.356 1.00 0.00 C ATOM 1165 CE2 PHE A 78 68.410 -6.013 5.053 1.00 0.00 C ATOM 1166 CZ PHE A 78 67.364 -6.898 5.344 1.00 0.00 C ATOM 0 H PHE A 78 70.636 -8.289 -0.526 1.00 0.00 H new ATOM 0 HA PHE A 78 71.161 -6.972 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 78 69.225 -5.822 1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 78 68.464 -7.360 0.700 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.100 -8.431 2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.792 -5.320 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.081 -8.448 4.579 1.00 0.00 H new ATOM 0 HE2 PHE A 78 68.774 -5.339 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 78 66.924 -6.909 6.330 1.00 0.00 H new ATOM 1176 N HIS A 79 70.955 -9.226 3.114 1.00 0.00 N ATOM 1177 CA HIS A 79 70.895 -10.569 3.701 1.00 0.00 C ATOM 1178 C HIS A 79 70.649 -10.513 5.204 1.00 0.00 C ATOM 1179 O HIS A 79 71.399 -9.874 5.943 1.00 0.00 O ATOM 1180 CB HIS A 79 72.211 -11.304 3.442 1.00 0.00 C ATOM 1181 CG HIS A 79 72.077 -12.732 3.885 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.283 -13.120 5.199 1.00 0.00 N ATOM 1183 CD2 HIS A 79 71.758 -13.879 3.202 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.087 -14.449 5.266 1.00 0.00 C ATOM 1185 NE2 HIS A 79 71.764 -14.962 4.076 1.00 0.00 N ATOM 0 H HIS A 79 71.481 -8.545 3.661 1.00 0.00 H new ATOM 0 HA HIS A 79 70.065 -11.098 3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.462 -11.262 2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.024 -10.819 3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 79 71.536 -13.933 2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 79 72.180 -15.030 6.172 1.00 0.00 H new ATOM 0 HE2 HIS A 79 71.565 -15.938 3.855 1.00 0.00 H new ATOM 1193 N VAL A 80 69.607 -11.210 5.652 1.00 0.00 N ATOM 1194 CA VAL A 80 69.277 -11.263 7.076 1.00 0.00 C ATOM 1195 C VAL A 80 68.806 -12.672 7.441 1.00 0.00 C ATOM 1196 O VAL A 80 68.007 -13.277 6.720 1.00 0.00 O ATOM 1197 CB VAL A 80 68.200 -10.230 7.407 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.983 -10.435 6.506 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.790 -10.364 8.872 1.00 0.00 C ATOM 0 H VAL A 80 68.978 -11.744 5.053 1.00 0.00 H new ATOM 0 HA VAL A 80 70.166 -11.027 7.661 1.00 0.00 H new ATOM 0 HB VAL A 80 68.601 -9.231 7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.221 -9.694 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 80 67.279 -10.322 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 80 66.579 -11.435 6.662 1.00 0.00 H new ATOM 0 HG21 VAL A 80 67.022 -9.626 9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.397 -11.365 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.658 -10.197 9.510 1.00 0.00 H new ATOM 1209 N GLY A 81 69.331 -13.184 8.555 1.00 0.00 N ATOM 1210 CA GLY A 81 69.010 -14.532 9.039 1.00 0.00 C ATOM 1211 C GLY A 81 67.635 -15.025 8.585 1.00 0.00 C ATOM 1212 O GLY A 81 67.512 -16.125 8.046 1.00 0.00 O ATOM 0 H GLY A 81 69.990 -12.679 9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.772 -15.228 8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.050 -14.539 10.128 1.00 0.00 H new ATOM 1216 N THR A 82 66.609 -14.221 8.820 1.00 0.00 N ATOM 1217 CA THR A 82 65.252 -14.604 8.449 1.00 0.00 C ATOM 1218 C THR A 82 65.117 -14.811 6.944 1.00 0.00 C ATOM 1219 O THR A 82 65.070 -15.947 6.471 1.00 0.00 O ATOM 1220 CB THR A 82 64.270 -13.531 8.909 1.00 0.00 C ATOM 1221 OG1 THR A 82 64.603 -12.294 8.296 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.352 -13.394 10.428 1.00 0.00 C ATOM 0 H THR A 82 66.687 -13.305 9.263 1.00 0.00 H new ATOM 0 HA THR A 82 65.026 -15.550 8.940 1.00 0.00 H new ATOM 0 HB THR A 82 63.256 -13.811 8.625 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.972 -11.604 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.652 -12.628 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.098 -14.346 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.365 -13.110 10.714 1.00 0.00 H new ATOM 1230 N CYS A 83 65.037 -13.712 6.196 1.00 0.00 N ATOM 1231 CA CYS A 83 64.887 -13.790 4.736 1.00 0.00 C ATOM 1232 C CYS A 83 65.975 -12.990 4.028 1.00 0.00 C ATOM 1233 O CYS A 83 66.965 -12.586 4.638 1.00 0.00 O ATOM 1234 CB CYS A 83 63.518 -13.243 4.330 1.00 0.00 C ATOM 1235 SG CYS A 83 62.253 -13.871 5.461 1.00 0.00 S ATOM 0 H CYS A 83 65.073 -12.763 6.568 1.00 0.00 H new ATOM 0 HA CYS A 83 64.976 -14.836 4.441 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.530 -12.153 4.351 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.285 -13.540 3.307 1.00 0.00 H new ATOM 0 HG CYS A 83 61.091 -13.403 5.115 1.00 0.00 H new ATOM 1241 N SER A 84 65.777 -12.766 2.731 1.00 0.00 N ATOM 1242 CA SER A 84 66.737 -12.013 1.930 1.00 0.00 C ATOM 1243 C SER A 84 66.022 -11.279 0.797 1.00 0.00 C ATOM 1244 O SER A 84 65.027 -11.765 0.260 1.00 0.00 O ATOM 1245 CB SER A 84 67.780 -12.969 1.344 1.00 0.00 C ATOM 1246 OG SER A 84 68.669 -13.385 2.374 1.00 0.00 O ATOM 0 H SER A 84 64.962 -13.095 2.214 1.00 0.00 H new ATOM 0 HA SER A 84 67.231 -11.281 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 84 67.288 -13.835 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.335 -12.475 0.546 1.00 0.00 H new ATOM 0 HG SER A 84 68.337 -13.068 3.240 1.00 0.00 H new ATOM 1252 N SER A 85 66.542 -10.107 0.436 1.00 0.00 N ATOM 1253 CA SER A 85 65.961 -9.298 -0.640 1.00 0.00 C ATOM 1254 C SER A 85 67.038 -8.948 -1.660 1.00 0.00 C ATOM 1255 O SER A 85 68.225 -8.937 -1.335 1.00 0.00 O ATOM 1256 CB SER A 85 65.358 -8.014 -0.065 1.00 0.00 C ATOM 1257 OG SER A 85 64.358 -8.350 0.888 1.00 0.00 O ATOM 0 H SER A 85 67.366 -9.694 0.872 1.00 0.00 H new ATOM 0 HA SER A 85 65.174 -9.872 -1.129 1.00 0.00 H new ATOM 0 HB2 SER A 85 66.136 -7.412 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 85 64.927 -7.411 -0.864 1.00 0.00 H new ATOM 0 HG SER A 85 63.971 -7.530 1.259 1.00 0.00 H new ATOM 1263 N GLU A 86 66.624 -8.677 -2.900 1.00 0.00 N ATOM 1264 CA GLU A 86 67.574 -8.346 -3.968 1.00 0.00 C ATOM 1265 C GLU A 86 67.162 -7.070 -4.694 1.00 0.00 C ATOM 1266 O GLU A 86 65.975 -6.779 -4.845 1.00 0.00 O ATOM 1267 CB GLU A 86 67.631 -9.498 -4.973 1.00 0.00 C ATOM 1268 CG GLU A 86 68.741 -9.235 -5.994 1.00 0.00 C ATOM 1269 CD GLU A 86 68.812 -10.386 -6.991 1.00 0.00 C ATOM 1270 OE1 GLU A 86 67.902 -11.196 -6.994 1.00 0.00 O ATOM 1271 OE2 GLU A 86 69.775 -10.437 -7.740 1.00 0.00 O1- ATOM 0 H GLU A 86 65.646 -8.680 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 86 68.554 -8.188 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 86 67.816 -10.438 -4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 86 66.672 -9.598 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.550 -8.299 -6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 86 69.698 -9.125 -5.484 1.00 0.00 H new ATOM 1278 N ALA A 87 68.161 -6.318 -5.150 1.00 0.00 N ATOM 1279 CA ALA A 87 67.921 -5.073 -5.874 1.00 0.00 C ATOM 1280 C ALA A 87 69.094 -4.782 -6.801 1.00 0.00 C ATOM 1281 O ALA A 87 70.223 -5.199 -6.538 1.00 0.00 O ATOM 1282 CB ALA A 87 67.737 -3.913 -4.890 1.00 0.00 C ATOM 0 H ALA A 87 69.147 -6.550 -5.030 1.00 0.00 H new ATOM 0 HA ALA A 87 67.012 -5.180 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.559 -2.991 -5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.885 -4.117 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.636 -3.804 -4.284 1.00 0.00 H new ATOM 1288 N GLN A 88 68.823 -4.075 -7.897 1.00 0.00 N ATOM 1289 CA GLN A 88 69.865 -3.742 -8.871 1.00 0.00 C ATOM 1290 C GLN A 88 69.839 -2.258 -9.225 1.00 0.00 C ATOM 1291 O GLN A 88 68.774 -1.671 -9.418 1.00 0.00 O ATOM 1292 CB GLN A 88 69.657 -4.567 -10.142 1.00 0.00 C ATOM 1293 CG GLN A 88 69.941 -6.039 -9.847 1.00 0.00 C ATOM 1294 CD GLN A 88 69.629 -6.888 -11.075 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.297 -6.351 -12.130 1.00 0.00 O ATOM 1296 NE2 GLN A 88 69.714 -8.188 -11.000 1.00 0.00 N ATOM 0 H GLN A 88 67.896 -3.722 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 88 70.833 -3.972 -8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.635 -4.448 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.317 -4.210 -10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 88 70.986 -6.166 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.338 -6.372 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 88 69.990 -8.631 -10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.505 -8.761 -11.818 1.00 0.00 H new ATOM 1305 N LEU A 89 71.030 -1.665 -9.326 1.00 0.00 N ATOM 1306 CA LEU A 89 71.165 -0.249 -9.682 1.00 0.00 C ATOM 1307 C LEU A 89 71.816 -0.158 -11.061 1.00 0.00 C ATOM 1308 O LEU A 89 72.991 -0.497 -11.224 1.00 0.00 O ATOM 1309 CB LEU A 89 72.040 0.466 -8.641 1.00 0.00 C ATOM 1310 CG LEU A 89 71.809 1.986 -8.682 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.753 2.660 -7.678 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.090 2.538 -10.087 1.00 0.00 C ATOM 0 H LEU A 89 71.917 -2.143 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 89 70.185 0.229 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.812 0.086 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.091 0.248 -8.832 1.00 0.00 H new ATOM 0 HG LEU A 89 70.770 2.194 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 89 72.597 3.739 -7.699 1.00 0.00 H new ATOM 0 HD12 LEU A 89 72.547 2.283 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.786 2.438 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.921 3.615 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.125 2.331 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.424 2.061 -10.805 1.00 0.00 H new ATOM 1324 N LYS A 90 71.042 0.287 -12.052 1.00 0.00 N ATOM 1325 CA LYS A 90 71.535 0.402 -13.428 1.00 0.00 C ATOM 1326 C LYS A 90 71.510 1.850 -13.909 1.00 0.00 C ATOM 1327 O LYS A 90 70.739 2.671 -13.410 1.00 0.00 O ATOM 1328 CB LYS A 90 70.666 -0.466 -14.335 1.00 0.00 C ATOM 1329 CG LYS A 90 70.896 -1.940 -13.982 1.00 0.00 C ATOM 1330 CD LYS A 90 69.923 -2.829 -14.764 1.00 0.00 C ATOM 1331 CE LYS A 90 70.360 -2.933 -16.227 1.00 0.00 C ATOM 1332 NZ LYS A 90 69.586 -4.013 -16.901 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.071 0.574 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 90 72.570 0.063 -13.461 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.615 -0.208 -14.209 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.915 -0.286 -15.381 1.00 0.00 H new ATOM 0 HG2 LYS A 90 71.923 -2.221 -14.214 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.758 -2.091 -12.911 1.00 0.00 H new ATOM 0 HD2 LYS A 90 69.887 -3.822 -14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 90 68.916 -2.416 -14.706 1.00 0.00 H new ATOM 0 HE2 LYS A 90 70.197 -1.983 -16.735 1.00 0.00 H new ATOM 0 HE3 LYS A 90 71.427 -3.146 -16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 69.883 -4.084 -17.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 69.763 -4.918 -16.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.571 -3.791 -16.858 1.00 0.00 H new ATOM 1346 N VAL A 91 72.371 2.155 -14.882 1.00 0.00 N ATOM 1347 CA VAL A 91 72.469 3.506 -15.440 1.00 0.00 C ATOM 1348 C VAL A 91 72.008 3.517 -16.896 1.00 0.00 C ATOM 1349 O VAL A 91 72.402 2.661 -17.687 1.00 0.00 O ATOM 1350 CB VAL A 91 73.921 3.989 -15.369 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.376 4.038 -13.909 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.822 3.027 -16.149 1.00 0.00 C ATOM 0 H VAL A 91 73.013 1.482 -15.301 1.00 0.00 H new ATOM 0 HA VAL A 91 71.829 4.169 -14.858 1.00 0.00 H new ATOM 0 HB VAL A 91 73.989 4.986 -15.805 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.409 4.382 -13.861 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.739 4.725 -13.352 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.305 3.042 -13.472 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.854 3.373 -16.097 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.751 2.030 -15.715 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.503 2.993 -17.191 1.00 0.00 H new ATOM 1362 N THR A 92 71.165 4.493 -17.242 1.00 0.00 N ATOM 1363 CA THR A 92 70.645 4.616 -18.609 1.00 0.00 C ATOM 1364 C THR A 92 71.327 5.769 -19.339 1.00 0.00 C ATOM 1365 O THR A 92 71.423 6.880 -18.816 1.00 0.00 O ATOM 1366 CB THR A 92 69.136 4.859 -18.568 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.493 3.739 -17.975 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.609 5.051 -19.989 1.00 0.00 C ATOM 0 H THR A 92 70.828 5.208 -16.598 1.00 0.00 H new ATOM 0 HA THR A 92 70.852 3.689 -19.144 1.00 0.00 H new ATOM 0 HB THR A 92 68.930 5.753 -17.980 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.553 3.956 -17.800 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.533 5.224 -19.958 1.00 0.00 H new ATOM 0 HG22 THR A 92 69.101 5.909 -20.447 1.00 0.00 H new ATOM 0 HG23 THR A 92 68.816 4.157 -20.578 1.00 0.00 H new ATOM 1376 N ALA A 93 71.806 5.492 -20.549 1.00 0.00 N ATOM 1377 CA ALA A 93 72.490 6.504 -21.349 1.00 0.00 C ATOM 1378 C ALA A 93 71.534 7.619 -21.761 1.00 0.00 C ATOM 1379 O ALA A 93 70.320 7.508 -21.591 1.00 0.00 O ATOM 1380 CB ALA A 93 73.088 5.860 -22.602 1.00 0.00 C ATOM 0 H ALA A 93 71.733 4.578 -20.996 1.00 0.00 H new ATOM 0 HA ALA A 93 73.284 6.936 -20.739 1.00 0.00 H new ATOM 0 HB1 ALA A 93 73.597 6.620 -23.194 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.802 5.090 -22.310 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.292 5.410 -23.195 1.00 0.00 H new ATOM 1386 N GLY A 94 72.096 8.695 -22.309 1.00 0.00 N ATOM 1387 CA GLY A 94 71.297 9.838 -22.753 1.00 0.00 C ATOM 1388 C GLY A 94 71.192 10.891 -21.654 1.00 0.00 C ATOM 1389 O GLY A 94 72.207 11.489 -21.334 1.00 0.00 O ATOM 0 H GLY A 94 73.100 8.800 -22.456 1.00 0.00 H new ATOM 0 HA2 GLY A 94 71.748 10.279 -23.642 1.00 0.00 H new ATOM 0 HA3 GLY A 94 70.300 9.501 -23.036 1.00 0.00 H new TER 1393 GLY A 94