USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 609 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 370 M2L HNA : A 370 M2L N : A 369 LEU C :(H bumps) USER MOD Set 1.1: A 116 TYR OH : rot 0:sc= 0.624 USER MOD Set 1.2: A 141 ASN : amide:sc= 1.68 K(o=2.3,f=-10!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.666 X(o=1.1,f=0.84) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.394 USER MOD Set 3.1: A 92 GLN : amide:sc= 1.93 K(o=3.1,f=1.8) USER MOD Set 3.2: A 121 TYR OH : rot -9:sc= 1.19 USER MOD Single : A 84 SER OG : rot 30:sc= 0.0637 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.928 K(o=-0.93,f=-2.6!) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 96 SER OG : rot 32:sc= 0.211 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00239 USER MOD Single : A 100 SER OG : rot -92:sc= 1.8 USER MOD Single : A 103 TYR OH : rot -7:sc= 1.25 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= 0.856 K(o=0.86,f=-0.37) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.746 K(o=0.75,f=-4.1!) USER MOD Single : A 134 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.705) USER MOD Single : A 137 SER OG : rot -158:sc= 1.29 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 145 ASN : amide:sc= 1.22 K(o=1.2,f=-13!) USER MOD Single : A 201 SER OG : rot 180:sc= 0 USER MOD Single : A 365 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 366 SER OG : rot -95:sc= 1.22 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 368 HIS : no HD1:sc= 0.878 K(o=0.88,f=-4.5!) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 372 LYS NZ :NH3+ 168:sc= 1.22 (180deg=0.949) USER MOD Single : A 373 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 -1.553 0.804 1.612 1.00 0.00 N ATOM 2 CA SER A 84 -0.961 0.844 0.251 1.00 0.00 C ATOM 3 C SER A 84 -0.873 2.294 -0.249 1.00 0.00 C ATOM 4 O SER A 84 -1.882 3.004 -0.276 1.00 0.00 O ATOM 5 CB SER A 84 -1.751 -0.055 -0.722 1.00 0.00 C ATOM 6 OG SER A 84 -1.791 -1.399 -0.249 1.00 0.00 O ATOM 0 HA SER A 84 0.053 0.447 0.298 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.766 0.326 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.289 -0.025 -1.709 1.00 0.00 H new ATOM 0 HG SER A 84 -1.758 -1.402 0.730 1.00 0.00 H new ATOM 12 N SER A 85 0.329 2.731 -0.647 1.00 0.00 N ATOM 13 CA SER A 85 0.630 4.139 -0.946 1.00 0.00 C ATOM 14 C SER A 85 1.480 4.282 -2.220 1.00 0.00 C ATOM 15 O SER A 85 2.190 5.269 -2.400 1.00 0.00 O ATOM 16 CB SER A 85 1.300 4.774 0.285 1.00 0.00 C ATOM 17 OG SER A 85 0.597 4.464 1.487 1.00 0.00 O ATOM 0 H SER A 85 1.129 2.111 -0.772 1.00 0.00 H new ATOM 0 HA SER A 85 -0.297 4.674 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.328 4.420 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.344 5.856 0.158 1.00 0.00 H new ATOM 0 HG SER A 85 1.051 4.882 2.248 1.00 0.00 H new ATOM 23 N GLU A 86 1.410 3.282 -3.105 1.00 0.00 N ATOM 24 CA GLU A 86 1.961 3.305 -4.456 1.00 0.00 C ATOM 25 C GLU A 86 0.764 2.960 -5.340 1.00 0.00 C ATOM 26 O GLU A 86 0.093 1.948 -5.111 1.00 0.00 O ATOM 27 CB GLU A 86 3.119 2.307 -4.600 1.00 0.00 C ATOM 28 CG GLU A 86 4.362 2.762 -3.818 1.00 0.00 C ATOM 29 CD GLU A 86 5.506 1.735 -3.893 1.00 0.00 C ATOM 30 OE1 GLU A 86 6.049 1.491 -4.999 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.878 1.164 -2.838 1.00 0.00 O ATOM 0 H GLU A 86 0.948 2.399 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 86 2.399 4.265 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.802 1.328 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.373 2.194 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.708 3.717 -4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.092 2.927 -2.775 1.00 0.00 H new ATOM 38 N PHE A 87 0.485 3.812 -6.325 1.00 0.00 N ATOM 39 CA PHE A 87 -0.745 3.793 -7.103 1.00 0.00 C ATOM 40 C PHE A 87 -0.472 3.370 -8.545 1.00 0.00 C ATOM 41 O PHE A 87 0.418 3.911 -9.198 1.00 0.00 O ATOM 42 CB PHE A 87 -1.362 5.196 -7.012 1.00 0.00 C ATOM 43 CG PHE A 87 -1.366 5.737 -5.588 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.384 5.376 -4.687 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.334 6.591 -5.158 1.00 0.00 C ATOM 46 CE1 PHE A 87 -2.369 5.861 -3.367 1.00 0.00 C ATOM 47 CE2 PHE A 87 -0.314 7.068 -3.838 1.00 0.00 C ATOM 48 CZ PHE A 87 -1.336 6.714 -2.943 1.00 0.00 C ATOM 0 H PHE A 87 1.127 4.552 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.447 3.059 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.805 5.877 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.384 5.166 -7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.181 4.723 -5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.446 6.881 -5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -3.152 5.578 -2.679 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.490 7.710 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.328 7.096 -1.933 1.00 0.00 H new ATOM 58 N GLN A 88 -1.244 2.400 -9.033 1.00 0.00 N ATOM 59 CA GLN A 88 -1.144 1.787 -10.356 1.00 0.00 C ATOM 60 C GLN A 88 -2.570 1.493 -10.868 1.00 0.00 C ATOM 61 O GLN A 88 -3.553 1.855 -10.222 1.00 0.00 O ATOM 62 CB GLN A 88 -0.325 0.469 -10.289 1.00 0.00 C ATOM 63 CG GLN A 88 1.147 0.549 -9.834 1.00 0.00 C ATOM 64 CD GLN A 88 1.360 0.815 -8.338 1.00 0.00 C ATOM 65 OE1 GLN A 88 2.209 1.615 -7.956 1.00 0.00 O ATOM 66 NE2 GLN A 88 0.611 0.168 -7.453 1.00 0.00 N ATOM 0 H GLN A 88 -2.002 1.997 -8.482 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.632 2.469 -11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.845 -0.213 -9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.343 0.015 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.641 -0.387 -10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.642 1.338 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.094 -0.497 -7.771 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.741 0.336 -6.455 1.00 0.00 H new ATOM 75 N ILE A 89 -2.694 0.823 -12.022 1.00 0.00 N ATOM 76 CA ILE A 89 -3.975 0.292 -12.498 1.00 0.00 C ATOM 77 C ILE A 89 -4.592 -0.565 -11.382 1.00 0.00 C ATOM 78 O ILE A 89 -3.877 -1.267 -10.659 1.00 0.00 O ATOM 79 CB ILE A 89 -3.796 -0.479 -13.831 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.227 0.469 -14.919 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.124 -1.107 -14.304 1.00 0.00 C ATOM 82 CD1 ILE A 89 -2.949 -0.189 -16.275 1.00 0.00 C ATOM 0 H ILE A 89 -1.911 0.635 -12.648 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.665 1.106 -12.722 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.090 -1.292 -13.659 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.930 1.289 -15.068 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.300 0.907 -14.548 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.961 -1.640 -15.241 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.486 -1.804 -13.549 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.864 -0.321 -14.457 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.554 0.555 -16.966 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.220 -0.989 -16.148 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.875 -0.602 -16.676 1.00 0.00 H new ATOM 94 N ASN A 90 -5.922 -0.514 -11.267 1.00 0.00 N ATOM 95 CA ASN A 90 -6.724 -1.173 -10.236 1.00 0.00 C ATOM 96 C ASN A 90 -6.365 -0.715 -8.813 1.00 0.00 C ATOM 97 O ASN A 90 -6.676 -1.412 -7.845 1.00 0.00 O ATOM 98 CB ASN A 90 -6.749 -2.709 -10.402 1.00 0.00 C ATOM 99 CG ASN A 90 -7.410 -3.169 -11.698 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.397 -2.592 -12.146 1.00 0.00 O ATOM 101 ND2 ASN A 90 -6.893 -4.209 -12.334 1.00 0.00 N ATOM 0 H ASN A 90 -6.496 0.015 -11.924 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.752 -0.843 -10.388 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -5.727 -3.087 -10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.278 -3.150 -9.557 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.315 -4.537 -13.203 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.073 -4.683 -11.955 1.00 0.00 H new ATOM 108 N GLU A 91 -5.759 0.467 -8.657 1.00 0.00 N ATOM 109 CA GLU A 91 -5.522 1.111 -7.365 1.00 0.00 C ATOM 110 C GLU A 91 -6.060 2.551 -7.438 1.00 0.00 C ATOM 111 O GLU A 91 -6.490 2.998 -8.507 1.00 0.00 O ATOM 112 CB GLU A 91 -4.025 0.988 -7.028 1.00 0.00 C ATOM 113 CG GLU A 91 -3.590 1.466 -5.639 1.00 0.00 C ATOM 114 CD GLU A 91 -4.362 0.764 -4.508 1.00 0.00 C ATOM 115 OE1 GLU A 91 -5.493 1.213 -4.210 1.00 0.00 O ATOM 116 OE2 GLU A 91 -3.848 -0.222 -3.928 1.00 0.00 O ATOM 0 H GLU A 91 -5.412 1.013 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.054 0.631 -6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.738 -0.058 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.461 1.550 -7.773 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.523 1.285 -5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.741 2.543 -5.565 1.00 0.00 H new ATOM 123 N GLN A 92 -6.128 3.253 -6.305 1.00 0.00 N ATOM 124 CA GLN A 92 -6.814 4.544 -6.205 1.00 0.00 C ATOM 125 C GLN A 92 -5.985 5.684 -6.800 1.00 0.00 C ATOM 126 O GLN A 92 -4.757 5.645 -6.772 1.00 0.00 O ATOM 127 CB GLN A 92 -7.117 4.932 -4.744 1.00 0.00 C ATOM 128 CG GLN A 92 -7.620 3.818 -3.822 1.00 0.00 C ATOM 129 CD GLN A 92 -8.598 2.839 -4.476 1.00 0.00 C ATOM 130 OE1 GLN A 92 -9.674 3.216 -4.929 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.246 1.566 -4.544 1.00 0.00 N ATOM 0 H GLN A 92 -5.708 2.942 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.741 4.412 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.209 5.349 -4.308 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.861 5.728 -4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.762 3.259 -3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.105 4.272 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.349 1.264 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.872 0.886 -4.976 1.00 0.00 H new ATOM 140 N VAL A 93 -6.660 6.749 -7.217 1.00 0.00 N ATOM 141 CA VAL A 93 -6.098 8.030 -7.612 1.00 0.00 C ATOM 142 C VAL A 93 -7.100 9.131 -7.263 1.00 0.00 C ATOM 143 O VAL A 93 -8.260 8.851 -6.957 1.00 0.00 O ATOM 144 CB VAL A 93 -5.777 8.078 -9.126 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.431 7.407 -9.431 1.00 0.00 C ATOM 146 CG2 VAL A 93 -6.921 7.539 -10.001 1.00 0.00 C ATOM 0 H VAL A 93 -7.677 6.738 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.161 8.176 -7.075 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.682 9.130 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.234 7.457 -10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.637 7.923 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.465 6.364 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.635 7.599 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.121 6.500 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.818 8.135 -9.834 1.00 0.00 H new ATOM 156 N LEU A 94 -6.658 10.386 -7.325 1.00 0.00 N ATOM 157 CA LEU A 94 -7.524 11.547 -7.261 1.00 0.00 C ATOM 158 C LEU A 94 -7.713 11.951 -8.716 1.00 0.00 C ATOM 159 O LEU A 94 -6.721 12.189 -9.407 1.00 0.00 O ATOM 160 CB LEU A 94 -6.848 12.709 -6.513 1.00 0.00 C ATOM 161 CG LEU A 94 -6.954 12.692 -4.979 1.00 0.00 C ATOM 162 CD1 LEU A 94 -6.303 13.981 -4.460 1.00 0.00 C ATOM 163 CD2 LEU A 94 -8.394 12.601 -4.453 1.00 0.00 C ATOM 0 H LEU A 94 -5.670 10.621 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.453 11.323 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.792 12.719 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.278 13.643 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.450 11.795 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.359 14.004 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.258 14.011 -4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.828 14.844 -4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.383 12.594 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.965 13.460 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.857 11.684 -4.817 1.00 0.00 H new ATOM 175 N ALA A 95 -8.957 12.069 -9.178 1.00 0.00 N ATOM 176 CA ALA A 95 -9.282 12.468 -10.538 1.00 0.00 C ATOM 177 C ALA A 95 -10.351 13.556 -10.477 1.00 0.00 C ATOM 178 O ALA A 95 -11.270 13.466 -9.659 1.00 0.00 O ATOM 179 CB ALA A 95 -9.796 11.254 -11.320 1.00 0.00 C ATOM 0 H ALA A 95 -9.779 11.886 -8.603 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.397 12.853 -11.045 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.039 11.554 -12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.026 10.483 -11.343 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.689 10.860 -10.835 1.00 0.00 H new ATOM 185 N SER A 96 -10.229 14.582 -11.314 1.00 0.00 N ATOM 186 CA SER A 96 -11.183 15.674 -11.342 1.00 0.00 C ATOM 187 C SER A 96 -12.535 15.204 -11.883 1.00 0.00 C ATOM 188 O SER A 96 -12.609 14.397 -12.818 1.00 0.00 O ATOM 189 CB SER A 96 -10.600 16.847 -12.134 1.00 0.00 C ATOM 190 OG SER A 96 -9.593 17.453 -11.339 1.00 0.00 O ATOM 0 H SER A 96 -9.468 14.675 -11.987 1.00 0.00 H new ATOM 0 HA SER A 96 -11.368 16.024 -10.327 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.182 16.499 -13.079 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.380 17.569 -12.377 1.00 0.00 H new ATOM 0 HG SER A 96 -9.157 16.770 -10.788 1.00 0.00 H new ATOM 196 N TRP A 97 -13.598 15.737 -11.286 1.00 0.00 N ATOM 197 CA TRP A 97 -14.986 15.466 -11.622 1.00 0.00 C ATOM 198 C TRP A 97 -15.633 16.779 -12.056 1.00 0.00 C ATOM 199 O TRP A 97 -15.191 17.856 -11.641 1.00 0.00 O ATOM 200 CB TRP A 97 -15.679 14.853 -10.409 1.00 0.00 C ATOM 201 CG TRP A 97 -17.032 14.235 -10.600 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.439 13.429 -11.605 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.187 14.362 -9.731 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.738 13.008 -11.378 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.232 13.511 -10.191 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.426 15.097 -8.562 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.421 13.334 -9.463 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.604 14.933 -7.815 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.592 14.037 -8.254 1.00 0.00 C ATOM 0 H TRP A 97 -13.506 16.402 -10.518 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.071 14.753 -12.442 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.019 14.088 -10.000 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.773 15.631 -9.651 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.839 13.154 -12.460 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.264 12.403 -12.008 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.685 15.808 -8.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.192 12.669 -9.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.750 15.495 -6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.484 13.887 -7.664 1.00 0.00 H new ATOM 220 N SER A 98 -16.687 16.687 -12.866 1.00 0.00 N ATOM 221 CA SER A 98 -17.371 17.826 -13.470 1.00 0.00 C ATOM 222 C SER A 98 -17.921 18.824 -12.434 1.00 0.00 C ATOM 223 O SER A 98 -18.182 19.982 -12.769 1.00 0.00 O ATOM 224 CB SER A 98 -18.499 17.293 -14.368 1.00 0.00 C ATOM 225 OG SER A 98 -18.025 16.241 -15.204 1.00 0.00 O ATOM 0 H SER A 98 -17.099 15.791 -13.127 1.00 0.00 H new ATOM 0 HA SER A 98 -16.643 18.386 -14.057 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.321 16.931 -13.751 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.894 18.102 -14.982 1.00 0.00 H new ATOM 0 HG SER A 98 -18.758 15.914 -15.766 1.00 0.00 H new ATOM 231 N ASP A 99 -18.090 18.382 -11.181 1.00 0.00 N ATOM 232 CA ASP A 99 -18.491 19.226 -10.063 1.00 0.00 C ATOM 233 C ASP A 99 -17.536 20.407 -9.840 1.00 0.00 C ATOM 234 O ASP A 99 -18.002 21.542 -9.685 1.00 0.00 O ATOM 235 CB ASP A 99 -18.560 18.397 -8.790 1.00 0.00 C ATOM 236 CG ASP A 99 -18.799 19.298 -7.573 1.00 0.00 C ATOM 237 OD1 ASP A 99 -19.950 19.743 -7.353 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.815 19.554 -6.839 1.00 0.00 O ATOM 0 H ASP A 99 -17.947 17.407 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.471 19.634 -10.310 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.363 17.664 -8.870 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.632 17.841 -8.661 1.00 0.00 H new ATOM 243 N SER A 100 -16.218 20.158 -9.821 1.00 0.00 N ATOM 244 CA SER A 100 -15.221 21.178 -9.493 1.00 0.00 C ATOM 245 C SER A 100 -13.790 20.714 -9.812 1.00 0.00 C ATOM 246 O SER A 100 -13.137 21.253 -10.711 1.00 0.00 O ATOM 247 CB SER A 100 -15.337 21.559 -8.001 1.00 0.00 C ATOM 248 OG SER A 100 -15.392 20.415 -7.159 1.00 0.00 O ATOM 0 H SER A 100 -15.818 19.244 -10.033 1.00 0.00 H new ATOM 0 HA SER A 100 -15.423 22.051 -10.114 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.484 22.176 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.232 22.163 -7.850 1.00 0.00 H new ATOM 0 HG SER A 100 -16.327 20.162 -7.012 1.00 0.00 H new ATOM 254 N ARG A 101 -13.301 19.726 -9.057 1.00 0.00 N ATOM 255 CA ARG A 101 -11.910 19.261 -9.032 1.00 0.00 C ATOM 256 C ARG A 101 -11.873 17.804 -8.577 1.00 0.00 C ATOM 257 O ARG A 101 -12.860 17.091 -8.734 1.00 0.00 O ATOM 258 CB ARG A 101 -11.017 20.195 -8.168 1.00 0.00 C ATOM 259 CG ARG A 101 -11.079 20.096 -6.620 1.00 0.00 C ATOM 260 CD ARG A 101 -12.489 20.039 -6.019 1.00 0.00 C ATOM 261 NE ARG A 101 -12.479 19.597 -4.613 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.579 19.320 -3.897 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.792 19.516 -4.413 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.450 18.846 -2.662 1.00 0.00 N ATOM 0 H ARG A 101 -13.894 19.202 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.490 19.305 -10.037 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.982 20.024 -8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.261 21.222 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.533 19.205 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.557 20.954 -6.197 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.950 21.025 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.105 19.359 -6.607 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.574 19.495 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.890 19.880 -5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.622 19.302 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.521 18.696 -2.268 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.280 18.632 -2.109 1.00 0.00 H new ATOM 278 N PHE A 102 -10.721 17.369 -8.071 1.00 0.00 N ATOM 279 CA PHE A 102 -10.423 16.044 -7.557 1.00 0.00 C ATOM 280 C PHE A 102 -11.471 15.448 -6.611 1.00 0.00 C ATOM 281 O PHE A 102 -11.940 16.101 -5.678 1.00 0.00 O ATOM 282 CB PHE A 102 -9.069 16.108 -6.833 1.00 0.00 C ATOM 283 CG PHE A 102 -7.943 16.594 -7.721 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.689 15.918 -8.925 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.162 17.713 -7.370 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.723 16.407 -9.809 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.163 18.176 -8.249 1.00 0.00 C ATOM 288 CZ PHE A 102 -5.950 17.521 -9.475 1.00 0.00 C ATOM 0 H PHE A 102 -9.912 17.986 -8.007 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.414 15.379 -8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -9.156 16.770 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.821 15.118 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.239 15.021 -9.168 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.329 18.215 -6.428 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.573 15.918 -10.760 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.562 19.032 -7.982 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.191 17.878 -10.156 1.00 0.00 H new ATOM 298 N TYR A 103 -11.696 14.153 -6.817 1.00 0.00 N ATOM 299 CA TYR A 103 -12.439 13.199 -6.001 1.00 0.00 C ATOM 300 C TYR A 103 -11.701 11.859 -6.169 1.00 0.00 C ATOM 301 O TYR A 103 -10.975 11.695 -7.156 1.00 0.00 O ATOM 302 CB TYR A 103 -13.892 13.073 -6.490 1.00 0.00 C ATOM 303 CG TYR A 103 -14.794 14.248 -6.166 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.863 15.336 -7.049 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.565 14.259 -4.991 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.692 16.437 -6.780 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.432 15.333 -4.727 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.485 16.440 -5.606 1.00 0.00 C ATOM 309 OH TYR A 103 -17.305 17.479 -5.280 1.00 0.00 O ATOM 0 H TYR A 103 -11.321 13.699 -7.650 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.486 13.515 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.882 12.932 -7.571 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.327 12.173 -6.055 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.269 15.327 -7.951 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.491 13.441 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.725 17.274 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.061 15.313 -3.849 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.161 18.218 -5.907 1.00 0.00 H new ATOM 319 N PRO A 104 -11.828 10.899 -5.240 1.00 0.00 N ATOM 320 CA PRO A 104 -11.169 9.604 -5.378 1.00 0.00 C ATOM 321 C PRO A 104 -11.825 8.772 -6.490 1.00 0.00 C ATOM 322 O PRO A 104 -13.038 8.843 -6.696 1.00 0.00 O ATOM 323 CB PRO A 104 -11.265 8.960 -3.988 1.00 0.00 C ATOM 324 CG PRO A 104 -12.533 9.576 -3.395 1.00 0.00 C ATOM 325 CD PRO A 104 -12.535 10.992 -3.971 1.00 0.00 C ATOM 0 HA PRO A 104 -10.126 9.686 -5.684 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.339 7.874 -4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.388 9.184 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.425 9.021 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.505 9.584 -2.305 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.553 11.355 -4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -12.040 11.690 -3.296 1.00 0.00 H new ATOM 333 N ALA A 105 -11.017 7.974 -7.189 1.00 0.00 N ATOM 334 CA ALA A 105 -11.422 7.077 -8.264 1.00 0.00 C ATOM 335 C ALA A 105 -10.420 5.919 -8.348 1.00 0.00 C ATOM 336 O ALA A 105 -9.295 6.038 -7.860 1.00 0.00 O ATOM 337 CB ALA A 105 -11.408 7.864 -9.580 1.00 0.00 C ATOM 0 H ALA A 105 -10.014 7.936 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.420 6.680 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.709 7.210 -10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -12.103 8.701 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.403 8.241 -9.768 1.00 0.00 H new ATOM 343 N LYS A 106 -10.793 4.823 -9.013 1.00 0.00 N ATOM 344 CA LYS A 106 -9.904 3.693 -9.285 1.00 0.00 C ATOM 345 C LYS A 106 -9.318 3.876 -10.685 1.00 0.00 C ATOM 346 O LYS A 106 -10.054 4.222 -11.610 1.00 0.00 O ATOM 347 CB LYS A 106 -10.723 2.391 -9.127 1.00 0.00 C ATOM 348 CG LYS A 106 -9.924 1.117 -9.457 1.00 0.00 C ATOM 349 CD LYS A 106 -10.480 -0.150 -8.782 1.00 0.00 C ATOM 350 CE LYS A 106 -11.922 -0.485 -9.210 1.00 0.00 C ATOM 351 NZ LYS A 106 -12.412 -1.741 -8.575 1.00 0.00 N ATOM 0 H LYS A 106 -11.735 4.695 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.067 3.638 -8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.090 2.325 -8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.597 2.440 -9.776 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.919 0.971 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.888 1.258 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.832 -0.994 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.450 -0.020 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.582 0.340 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.965 -0.586 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.385 -1.932 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.798 -2.533 -8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.396 -1.636 -7.540 1.00 0.00 H new ATOM 365 N VAL A 107 -8.017 3.658 -10.867 1.00 0.00 N ATOM 366 CA VAL A 107 -7.378 3.683 -12.187 1.00 0.00 C ATOM 367 C VAL A 107 -7.862 2.470 -12.977 1.00 0.00 C ATOM 368 O VAL A 107 -7.833 1.354 -12.452 1.00 0.00 O ATOM 369 CB VAL A 107 -5.840 3.629 -12.044 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.122 3.683 -13.399 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.266 4.775 -11.214 1.00 0.00 C ATOM 0 H VAL A 107 -7.372 3.458 -10.103 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.642 4.605 -12.704 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.665 2.677 -11.543 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.044 3.642 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.432 2.835 -14.009 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.379 4.611 -13.910 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.182 4.674 -11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.517 5.726 -11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.688 4.744 -10.210 1.00 0.00 H new ATOM 381 N THR A 108 -8.183 2.656 -14.256 1.00 0.00 N ATOM 382 CA THR A 108 -8.475 1.562 -15.175 1.00 0.00 C ATOM 383 C THR A 108 -7.399 1.491 -16.275 1.00 0.00 C ATOM 384 O THR A 108 -7.078 0.390 -16.724 1.00 0.00 O ATOM 385 CB THR A 108 -9.917 1.709 -15.684 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.144 3.019 -16.168 1.00 0.00 O ATOM 387 CG2 THR A 108 -10.929 1.478 -14.554 1.00 0.00 C ATOM 0 H THR A 108 -8.248 3.579 -14.685 1.00 0.00 H new ATOM 0 HA THR A 108 -8.427 0.596 -14.673 1.00 0.00 H new ATOM 0 HB THR A 108 -10.046 0.969 -16.474 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.067 3.094 -16.489 1.00 0.00 H new ATOM 0 HG21 THR A 108 -11.941 1.588 -14.944 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.803 0.473 -14.152 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.763 2.209 -13.762 1.00 0.00 H new ATOM 395 N ALA A 109 -6.789 2.619 -16.678 1.00 0.00 N ATOM 396 CA ALA A 109 -5.604 2.654 -17.542 1.00 0.00 C ATOM 397 C ALA A 109 -4.782 3.912 -17.264 1.00 0.00 C ATOM 398 O ALA A 109 -5.290 4.889 -16.710 1.00 0.00 O ATOM 399 CB ALA A 109 -5.995 2.563 -19.024 1.00 0.00 C ATOM 0 H ALA A 109 -7.114 3.547 -16.406 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.988 1.784 -17.314 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.096 2.591 -19.640 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.528 1.629 -19.203 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.639 3.404 -19.283 1.00 0.00 H new ATOM 405 N VAL A 110 -3.528 3.899 -17.706 1.00 0.00 N ATOM 406 CA VAL A 110 -2.600 5.023 -17.664 1.00 0.00 C ATOM 407 C VAL A 110 -1.904 4.996 -19.031 1.00 0.00 C ATOM 408 O VAL A 110 -1.600 3.911 -19.539 1.00 0.00 O ATOM 409 CB VAL A 110 -1.592 4.850 -16.502 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.689 6.086 -16.354 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.283 4.605 -15.153 1.00 0.00 C ATOM 0 H VAL A 110 -3.113 3.066 -18.122 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.096 5.977 -17.485 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.997 3.975 -16.762 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.007 5.932 -15.529 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.130 6.241 -17.277 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.303 6.963 -16.151 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.530 4.491 -14.374 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.926 5.452 -14.915 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.885 3.698 -15.212 1.00 0.00 H new ATOM 421 N ASN A 111 -1.659 6.163 -19.632 1.00 0.00 N ATOM 422 CA ASN A 111 -1.206 6.268 -21.017 1.00 0.00 C ATOM 423 C ASN A 111 -0.005 7.207 -21.044 1.00 0.00 C ATOM 424 O ASN A 111 -0.138 8.385 -20.710 1.00 0.00 O ATOM 425 CB ASN A 111 -2.324 6.833 -21.916 1.00 0.00 C ATOM 426 CG ASN A 111 -3.642 6.057 -21.894 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.670 4.829 -21.855 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.766 6.760 -21.915 1.00 0.00 N ATOM 0 H ASN A 111 -1.770 7.064 -19.168 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.938 5.281 -21.393 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.523 7.862 -21.615 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.959 6.866 -22.943 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.667 6.282 -21.899 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.730 7.779 -21.947 1.00 0.00 H new ATOM 435 N LYS A 112 1.159 6.705 -21.468 1.00 0.00 N ATOM 436 CA LYS A 112 2.427 7.450 -21.476 1.00 0.00 C ATOM 437 C LYS A 112 2.353 8.726 -22.328 1.00 0.00 C ATOM 438 O LYS A 112 3.110 9.665 -22.082 1.00 0.00 O ATOM 439 CB LYS A 112 3.551 6.504 -21.953 1.00 0.00 C ATOM 440 CG LYS A 112 4.984 7.068 -21.896 1.00 0.00 C ATOM 441 CD LYS A 112 5.458 7.554 -20.514 1.00 0.00 C ATOM 442 CE LYS A 112 5.448 6.484 -19.407 1.00 0.00 C ATOM 443 NZ LYS A 112 6.459 5.410 -19.620 1.00 0.00 N ATOM 0 H LYS A 112 1.251 5.753 -21.822 1.00 0.00 H new ATOM 0 HA LYS A 112 2.643 7.790 -20.463 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.515 5.597 -21.349 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.339 6.211 -22.981 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.672 6.298 -22.245 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.055 7.900 -22.597 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.471 7.945 -20.611 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.825 8.384 -20.201 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.633 6.963 -18.446 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.456 6.035 -19.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.403 4.721 -18.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.270 4.930 -20.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.411 5.829 -19.643 1.00 0.00 H new ATOM 457 N ASP A 113 1.427 8.780 -23.293 1.00 0.00 N ATOM 458 CA ASP A 113 1.149 9.979 -24.088 1.00 0.00 C ATOM 459 C ASP A 113 0.811 11.198 -23.215 1.00 0.00 C ATOM 460 O ASP A 113 1.135 12.328 -23.589 1.00 0.00 O ATOM 461 CB ASP A 113 -0.008 9.698 -25.052 1.00 0.00 C ATOM 462 CG ASP A 113 -0.325 10.930 -25.921 1.00 0.00 C ATOM 463 OD1 ASP A 113 0.481 11.255 -26.825 1.00 0.00 O ATOM 464 OD2 ASP A 113 -1.380 11.575 -25.705 1.00 0.00 O ATOM 0 H ASP A 113 0.844 7.982 -23.546 1.00 0.00 H new ATOM 0 HA ASP A 113 2.055 10.220 -24.643 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.247 8.854 -25.693 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.894 9.412 -24.486 1.00 0.00 H new ATOM 469 N GLY A 114 0.208 10.971 -22.038 1.00 0.00 N ATOM 470 CA GLY A 114 -0.075 12.000 -21.039 1.00 0.00 C ATOM 471 C GLY A 114 -1.510 11.936 -20.516 1.00 0.00 C ATOM 472 O GLY A 114 -2.036 12.956 -20.067 1.00 0.00 O ATOM 0 H GLY A 114 -0.102 10.042 -21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.617 11.890 -20.204 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.105 12.983 -21.475 1.00 0.00 H new ATOM 476 N THR A 115 -2.173 10.776 -20.595 1.00 0.00 N ATOM 477 CA THR A 115 -3.592 10.644 -20.289 1.00 0.00 C ATOM 478 C THR A 115 -3.825 9.468 -19.336 1.00 0.00 C ATOM 479 O THR A 115 -2.914 8.700 -19.011 1.00 0.00 O ATOM 480 CB THR A 115 -4.436 10.624 -21.585 1.00 0.00 C ATOM 481 OG1 THR A 115 -4.059 9.551 -22.425 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.268 11.911 -22.400 1.00 0.00 C ATOM 0 H THR A 115 -1.732 9.900 -20.875 1.00 0.00 H new ATOM 0 HA THR A 115 -3.943 11.522 -19.747 1.00 0.00 H new ATOM 0 HB THR A 115 -5.472 10.519 -21.262 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.609 9.561 -23.236 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.878 11.853 -23.301 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.585 12.765 -21.801 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.221 12.031 -22.678 1.00 0.00 H new ATOM 490 N TYR A 116 -5.053 9.358 -18.858 1.00 0.00 N ATOM 491 CA TYR A 116 -5.489 8.486 -17.788 1.00 0.00 C ATOM 492 C TYR A 116 -6.887 8.008 -18.131 1.00 0.00 C ATOM 493 O TYR A 116 -7.650 8.748 -18.752 1.00 0.00 O ATOM 494 CB TYR A 116 -5.579 9.329 -16.505 1.00 0.00 C ATOM 495 CG TYR A 116 -4.447 9.135 -15.523 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.447 8.008 -14.679 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.408 10.077 -15.443 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.429 7.845 -13.722 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.395 9.926 -14.480 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.403 8.810 -13.614 1.00 0.00 C ATOM 501 OH TYR A 116 -1.424 8.673 -12.676 1.00 0.00 O ATOM 0 H TYR A 116 -5.821 9.914 -19.235 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.807 7.646 -17.656 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.619 10.382 -16.784 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.518 9.096 -16.002 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.229 7.268 -14.766 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.387 10.917 -16.121 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.432 6.983 -13.071 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.610 10.664 -14.402 1.00 0.00 H new ATOM 0 HH TYR A 116 -1.578 7.855 -12.159 1.00 0.00 H new ATOM 511 N THR A 117 -7.264 6.845 -17.611 1.00 0.00 N ATOM 512 CA THR A 117 -8.628 6.350 -17.654 1.00 0.00 C ATOM 513 C THR A 117 -8.934 5.896 -16.230 1.00 0.00 C ATOM 514 O THR A 117 -8.112 5.222 -15.600 1.00 0.00 O ATOM 515 CB THR A 117 -8.786 5.233 -18.702 1.00 0.00 C ATOM 516 OG1 THR A 117 -8.070 5.552 -19.891 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.260 5.028 -19.067 1.00 0.00 C ATOM 0 H THR A 117 -6.617 6.212 -17.141 1.00 0.00 H new ATOM 0 HA THR A 117 -9.340 7.113 -17.970 1.00 0.00 H new ATOM 0 HB THR A 117 -8.386 4.319 -18.262 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.181 4.830 -20.544 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.344 4.234 -19.809 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.821 4.752 -18.174 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.665 5.953 -19.478 1.00 0.00 H new ATOM 525 N VAL A 118 -10.074 6.320 -15.690 1.00 0.00 N ATOM 526 CA VAL A 118 -10.438 6.088 -14.298 1.00 0.00 C ATOM 527 C VAL A 118 -11.916 5.718 -14.230 1.00 0.00 C ATOM 528 O VAL A 118 -12.715 6.152 -15.066 1.00 0.00 O ATOM 529 CB VAL A 118 -10.121 7.327 -13.427 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.613 7.596 -13.289 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.787 8.611 -13.946 1.00 0.00 C ATOM 0 H VAL A 118 -10.778 6.840 -16.214 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.847 5.264 -13.899 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.533 7.074 -12.450 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.456 8.477 -12.667 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.131 6.735 -12.827 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.182 7.767 -14.276 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.527 9.445 -13.294 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.437 8.819 -14.957 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.869 8.481 -13.956 1.00 0.00 H new ATOM 541 N LYS A 119 -12.281 4.976 -13.185 1.00 0.00 N ATOM 542 CA LYS A 119 -13.650 4.615 -12.845 1.00 0.00 C ATOM 543 C LYS A 119 -13.950 5.212 -11.479 1.00 0.00 C ATOM 544 O LYS A 119 -13.206 4.977 -10.530 1.00 0.00 O ATOM 545 CB LYS A 119 -13.757 3.083 -12.861 1.00 0.00 C ATOM 546 CG LYS A 119 -15.118 2.554 -12.381 1.00 0.00 C ATOM 547 CD LYS A 119 -15.208 1.037 -12.616 1.00 0.00 C ATOM 548 CE LYS A 119 -16.601 0.522 -12.212 1.00 0.00 C ATOM 549 NZ LYS A 119 -16.766 -0.936 -12.475 1.00 0.00 N ATOM 0 H LYS A 119 -11.600 4.596 -12.527 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.381 5.002 -13.555 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.575 2.725 -13.874 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.972 2.666 -12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.249 2.774 -11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.922 3.061 -12.914 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.019 0.812 -13.665 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.440 0.525 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.765 0.718 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.363 1.076 -12.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.719 -1.235 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.637 -1.122 -13.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.057 -1.469 -11.932 1.00 0.00 H new ATOM 563 N PHE A 120 -15.017 5.996 -11.379 1.00 0.00 N ATOM 564 CA PHE A 120 -15.542 6.453 -10.103 1.00 0.00 C ATOM 565 C PHE A 120 -16.396 5.329 -9.514 1.00 0.00 C ATOM 566 O PHE A 120 -17.015 4.558 -10.249 1.00 0.00 O ATOM 567 CB PHE A 120 -16.392 7.714 -10.311 1.00 0.00 C ATOM 568 CG PHE A 120 -15.630 8.982 -10.644 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.776 9.571 -9.688 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.777 9.588 -11.906 1.00 0.00 C ATOM 571 CE1 PHE A 120 -14.121 10.780 -9.975 1.00 0.00 C ATOM 572 CE2 PHE A 120 -15.112 10.793 -12.194 1.00 0.00 C ATOM 573 CZ PHE A 120 -14.283 11.392 -11.229 1.00 0.00 C ATOM 0 H PHE A 120 -15.543 6.333 -12.186 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.728 6.700 -9.422 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.104 7.520 -11.114 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.973 7.890 -9.406 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.625 9.091 -8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.403 9.126 -12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.491 11.241 -9.229 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -15.238 11.260 -13.160 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.773 12.318 -11.451 1.00 0.00 H new ATOM 583 N TYR A 121 -16.481 5.267 -8.183 1.00 0.00 N ATOM 584 CA TYR A 121 -17.107 4.138 -7.482 1.00 0.00 C ATOM 585 C TYR A 121 -18.616 4.029 -7.730 1.00 0.00 C ATOM 586 O TYR A 121 -19.184 2.942 -7.609 1.00 0.00 O ATOM 587 CB TYR A 121 -16.803 4.220 -5.977 1.00 0.00 C ATOM 588 CG TYR A 121 -15.341 4.493 -5.679 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.381 3.472 -5.819 1.00 0.00 C ATOM 590 CD2 TYR A 121 -14.940 5.778 -5.270 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.017 3.741 -5.588 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.582 6.051 -5.048 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.611 5.040 -5.208 1.00 0.00 C ATOM 594 OH TYR A 121 -11.300 5.332 -4.997 1.00 0.00 O ATOM 0 H TYR A 121 -16.121 5.992 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.670 3.228 -7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.411 5.007 -5.532 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.096 3.284 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.692 2.478 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.677 6.554 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.284 2.956 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.277 7.044 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.776 4.504 -5.002 1.00 0.00 H new ATOM 604 N ASP A 122 -19.265 5.138 -8.107 1.00 0.00 N ATOM 605 CA ASP A 122 -20.690 5.149 -8.459 1.00 0.00 C ATOM 606 C ASP A 122 -20.970 4.363 -9.750 1.00 0.00 C ATOM 607 O ASP A 122 -22.079 3.852 -9.928 1.00 0.00 O ATOM 608 CB ASP A 122 -21.170 6.594 -8.610 1.00 0.00 C ATOM 609 CG ASP A 122 -22.693 6.661 -8.810 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.433 6.465 -7.814 1.00 0.00 O ATOM 611 OD2 ASP A 122 -23.152 6.914 -9.949 1.00 0.00 O ATOM 0 H ASP A 122 -18.817 6.052 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.237 4.659 -7.654 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.892 7.166 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.669 7.059 -9.459 1.00 0.00 H new ATOM 616 N GLY A 123 -19.968 4.229 -10.632 1.00 0.00 N ATOM 617 CA GLY A 123 -20.024 3.424 -11.854 1.00 0.00 C ATOM 618 C GLY A 123 -19.542 4.179 -13.096 1.00 0.00 C ATOM 619 O GLY A 123 -19.258 3.545 -14.113 1.00 0.00 O ATOM 0 H GLY A 123 -19.069 4.694 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.415 2.530 -11.721 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.049 3.090 -12.015 1.00 0.00 H new ATOM 623 N VAL A 124 -19.464 5.515 -13.039 1.00 0.00 N ATOM 624 CA VAL A 124 -19.032 6.362 -14.153 1.00 0.00 C ATOM 625 C VAL A 124 -17.563 6.057 -14.487 1.00 0.00 C ATOM 626 O VAL A 124 -16.759 5.790 -13.590 1.00 0.00 O ATOM 627 CB VAL A 124 -19.269 7.850 -13.787 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.865 8.825 -14.906 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.748 8.113 -13.449 1.00 0.00 C ATOM 0 H VAL A 124 -19.704 6.045 -12.201 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.616 6.152 -15.049 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.634 8.031 -12.920 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -19.057 9.848 -14.584 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.804 8.707 -15.126 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.447 8.612 -15.802 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.882 9.165 -13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.368 7.865 -14.311 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -21.043 7.496 -12.600 1.00 0.00 H new ATOM 639 N VAL A 125 -17.197 6.161 -15.766 1.00 0.00 N ATOM 640 CA VAL A 125 -15.834 5.979 -16.266 1.00 0.00 C ATOM 641 C VAL A 125 -15.537 7.173 -17.184 1.00 0.00 C ATOM 642 O VAL A 125 -16.439 7.655 -17.874 1.00 0.00 O ATOM 643 CB VAL A 125 -15.727 4.622 -17.005 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.311 4.346 -17.539 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.118 3.435 -16.110 1.00 0.00 C ATOM 0 H VAL A 125 -17.863 6.381 -16.506 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.100 5.950 -15.461 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.425 4.710 -17.838 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.295 3.382 -18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.027 5.131 -18.240 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.606 4.330 -16.708 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.026 2.507 -16.675 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.457 3.399 -15.244 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.148 3.555 -15.776 1.00 0.00 H new ATOM 655 N GLN A 126 -14.288 7.652 -17.201 1.00 0.00 N ATOM 656 CA GLN A 126 -13.859 8.739 -18.081 1.00 0.00 C ATOM 657 C GLN A 126 -12.387 8.577 -18.470 1.00 0.00 C ATOM 658 O GLN A 126 -11.601 8.017 -17.699 1.00 0.00 O ATOM 659 CB GLN A 126 -14.109 10.109 -17.411 1.00 0.00 C ATOM 660 CG GLN A 126 -13.431 10.303 -16.037 1.00 0.00 C ATOM 661 CD GLN A 126 -13.531 11.730 -15.481 1.00 0.00 C ATOM 662 OE1 GLN A 126 -14.249 12.589 -15.991 1.00 0.00 O ATOM 663 NE2 GLN A 126 -12.801 12.008 -14.411 1.00 0.00 N ATOM 0 H GLN A 126 -13.545 7.293 -16.601 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.451 8.695 -18.995 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.761 10.893 -18.084 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.184 10.246 -17.290 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -13.881 9.614 -15.322 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.379 10.031 -16.122 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -12.209 11.288 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -12.831 12.942 -14.002 1.00 0.00 H new ATOM 672 N THR A 127 -12.014 9.137 -19.623 1.00 0.00 N ATOM 673 CA THR A 127 -10.629 9.284 -20.061 1.00 0.00 C ATOM 674 C THR A 127 -10.315 10.777 -19.927 1.00 0.00 C ATOM 675 O THR A 127 -11.104 11.621 -20.363 1.00 0.00 O ATOM 676 CB THR A 127 -10.435 8.765 -21.499 1.00 0.00 C ATOM 677 OG1 THR A 127 -11.136 7.541 -21.697 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.951 8.555 -21.822 1.00 0.00 C ATOM 0 H THR A 127 -12.686 9.510 -20.293 1.00 0.00 H new ATOM 0 HA THR A 127 -9.945 8.689 -19.457 1.00 0.00 H new ATOM 0 HB THR A 127 -10.837 9.524 -22.170 1.00 0.00 H new ATOM 0 HG1 THR A 127 -11.000 7.231 -22.617 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.849 8.189 -22.844 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.419 9.501 -21.721 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.528 7.826 -21.131 1.00 0.00 H new ATOM 686 N VAL A 128 -9.196 11.105 -19.293 1.00 0.00 N ATOM 687 CA VAL A 128 -8.830 12.455 -18.867 1.00 0.00 C ATOM 688 C VAL A 128 -7.303 12.613 -18.946 1.00 0.00 C ATOM 689 O VAL A 128 -6.596 11.660 -19.274 1.00 0.00 O ATOM 690 CB VAL A 128 -9.403 12.714 -17.448 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.885 13.109 -17.480 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.238 11.517 -16.493 1.00 0.00 C ATOM 0 H VAL A 128 -8.488 10.411 -19.051 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.261 13.209 -19.526 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.810 13.545 -17.067 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.238 13.279 -16.463 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.006 14.022 -18.064 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.465 12.307 -17.936 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.660 11.767 -15.520 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.758 10.651 -16.902 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.179 11.285 -16.380 1.00 0.00 H new ATOM 702 N LYS A 129 -6.776 13.812 -18.688 1.00 0.00 N ATOM 703 CA LYS A 129 -5.360 14.138 -18.897 1.00 0.00 C ATOM 704 C LYS A 129 -4.590 14.077 -17.581 1.00 0.00 C ATOM 705 O LYS A 129 -5.190 14.075 -16.509 1.00 0.00 O ATOM 706 CB LYS A 129 -5.255 15.532 -19.549 1.00 0.00 C ATOM 707 CG LYS A 129 -5.960 15.561 -20.914 1.00 0.00 C ATOM 708 CD LYS A 129 -5.758 16.906 -21.627 1.00 0.00 C ATOM 709 CE LYS A 129 -6.469 16.892 -22.989 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.292 18.165 -23.737 1.00 0.00 N ATOM 0 H LYS A 129 -7.324 14.592 -18.325 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.911 13.402 -19.564 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.700 16.279 -18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.206 15.801 -19.673 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.575 14.756 -21.540 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -7.026 15.377 -20.778 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.150 17.716 -21.011 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.694 17.097 -21.765 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.084 16.066 -23.588 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.533 16.708 -22.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.790 18.105 -24.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.683 18.952 -23.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.279 18.330 -23.907 1.00 0.00 H new ATOM 724 N HIS A 130 -3.255 14.110 -17.646 1.00 0.00 N ATOM 725 CA HIS A 130 -2.399 14.259 -16.462 1.00 0.00 C ATOM 726 C HIS A 130 -2.791 15.498 -15.645 1.00 0.00 C ATOM 727 O HIS A 130 -2.886 15.416 -14.424 1.00 0.00 O ATOM 728 CB HIS A 130 -0.926 14.314 -16.898 1.00 0.00 C ATOM 729 CG HIS A 130 0.044 14.718 -15.808 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.126 15.585 -15.988 1.00 0.00 N ATOM 731 CD2 HIS A 130 0.020 14.307 -14.503 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.725 15.678 -14.788 1.00 0.00 C ATOM 733 NE2 HIS A 130 1.082 14.924 -13.880 1.00 0.00 N ATOM 0 H HIS A 130 -2.736 14.034 -18.521 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.539 13.395 -15.812 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.637 13.334 -17.277 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.833 15.016 -17.726 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -0.691 13.632 -14.051 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.601 16.275 -14.582 1.00 0.00 H new ATOM 0 HE2 HIS A 130 1.337 14.826 -12.897 1.00 0.00 H new ATOM 741 N ILE A 131 -3.127 16.619 -16.297 1.00 0.00 N ATOM 742 CA ILE A 131 -3.590 17.825 -15.595 1.00 0.00 C ATOM 743 C ILE A 131 -4.906 17.625 -14.822 1.00 0.00 C ATOM 744 O ILE A 131 -5.298 18.515 -14.065 1.00 0.00 O ATOM 745 CB ILE A 131 -3.674 19.035 -16.554 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.599 18.774 -17.762 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.258 19.424 -16.998 1.00 0.00 C ATOM 748 CD1 ILE A 131 -4.971 20.044 -18.534 1.00 0.00 C ATOM 0 H ILE A 131 -3.087 16.716 -17.312 1.00 0.00 H new ATOM 0 HA ILE A 131 -2.835 18.038 -14.838 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.125 19.868 -16.015 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.108 18.077 -18.441 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.511 18.290 -17.413 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.310 20.277 -17.675 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.663 19.690 -16.124 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.793 18.582 -17.511 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.622 19.785 -19.369 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.490 20.735 -17.870 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.066 20.517 -18.914 1.00 0.00 H new ATOM 760 N HIS A 132 -5.587 16.481 -14.978 1.00 0.00 N ATOM 761 CA HIS A 132 -6.852 16.187 -14.321 1.00 0.00 C ATOM 762 C HIS A 132 -6.728 15.051 -13.303 1.00 0.00 C ATOM 763 O HIS A 132 -7.719 14.744 -12.642 1.00 0.00 O ATOM 764 CB HIS A 132 -7.903 15.778 -15.368 1.00 0.00 C ATOM 765 CG HIS A 132 -8.103 16.708 -16.537 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.303 16.286 -17.853 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.123 18.072 -16.494 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.450 17.412 -18.571 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.351 18.497 -17.784 1.00 0.00 N ATOM 0 H HIS A 132 -5.260 15.724 -15.578 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.153 17.094 -13.796 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.629 14.798 -15.758 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -8.860 15.662 -14.860 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -7.987 18.694 -15.622 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.624 17.441 -19.636 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.431 19.467 -18.089 1.00 0.00 H new ATOM 777 N VAL A 133 -5.583 14.369 -13.194 1.00 0.00 N ATOM 778 CA VAL A 133 -5.436 13.173 -12.349 1.00 0.00 C ATOM 779 C VAL A 133 -4.067 13.138 -11.667 1.00 0.00 C ATOM 780 O VAL A 133 -3.038 13.398 -12.290 1.00 0.00 O ATOM 781 CB VAL A 133 -5.670 11.883 -13.170 1.00 0.00 C ATOM 782 CG1 VAL A 133 -5.705 10.631 -12.278 1.00 0.00 C ATOM 783 CG2 VAL A 133 -6.981 11.914 -13.961 1.00 0.00 C ATOM 0 H VAL A 133 -4.730 14.629 -13.689 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.197 13.225 -11.570 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.827 11.837 -13.859 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -5.871 9.749 -12.896 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.755 10.532 -11.752 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.513 10.724 -11.552 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.092 10.984 -14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.819 12.027 -13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -6.967 12.753 -14.656 1.00 0.00 H new ATOM 793 N LYS A 134 -4.037 12.735 -10.392 1.00 0.00 N ATOM 794 CA LYS A 134 -2.805 12.499 -9.645 1.00 0.00 C ATOM 795 C LYS A 134 -3.008 11.372 -8.632 1.00 0.00 C ATOM 796 O LYS A 134 -4.094 10.812 -8.526 1.00 0.00 O ATOM 797 CB LYS A 134 -2.304 13.827 -9.037 1.00 0.00 C ATOM 798 CG LYS A 134 -3.265 14.468 -8.018 1.00 0.00 C ATOM 799 CD LYS A 134 -2.667 15.773 -7.466 1.00 0.00 C ATOM 800 CE LYS A 134 -3.587 16.416 -6.413 1.00 0.00 C ATOM 801 NZ LYS A 134 -2.970 17.629 -5.797 1.00 0.00 N ATOM 0 H LYS A 134 -4.881 12.562 -9.846 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.012 12.153 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.345 13.650 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.125 14.537 -9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.225 14.672 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.455 13.773 -7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.693 15.568 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.504 16.474 -8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.535 16.688 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.811 15.688 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.716 18.232 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.315 17.340 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.449 18.161 -6.524 1.00 0.00 H new ATOM 815 N ALA A 135 -1.945 11.012 -7.917 1.00 0.00 N ATOM 816 CA ALA A 135 -1.964 9.982 -6.883 1.00 0.00 C ATOM 817 C ALA A 135 -2.920 10.365 -5.745 1.00 0.00 C ATOM 818 O ALA A 135 -3.334 11.521 -5.644 1.00 0.00 O ATOM 819 CB ALA A 135 -0.526 9.830 -6.372 1.00 0.00 C ATOM 0 H ALA A 135 -1.027 11.438 -8.044 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.326 9.037 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.495 9.067 -5.594 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.124 9.535 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.183 10.780 -5.962 1.00 0.00 H new ATOM 825 N PHE A 136 -3.248 9.415 -4.854 1.00 0.00 N ATOM 826 CA PHE A 136 -3.964 9.783 -3.626 1.00 0.00 C ATOM 827 C PHE A 136 -3.036 10.589 -2.693 1.00 0.00 C ATOM 828 O PHE A 136 -3.523 11.298 -1.813 1.00 0.00 O ATOM 829 CB PHE A 136 -4.608 8.570 -2.937 1.00 0.00 C ATOM 830 CG PHE A 136 -5.664 8.968 -1.920 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.842 9.623 -2.342 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.475 8.696 -0.550 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.799 10.043 -1.402 1.00 0.00 C ATOM 834 CE2 PHE A 136 -6.442 9.102 0.389 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.597 9.785 -0.036 1.00 0.00 C ATOM 0 H PHE A 136 -3.038 8.422 -4.955 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.799 10.429 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -5.060 7.926 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.833 7.985 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -7.009 9.802 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.588 8.176 -0.220 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.687 10.563 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.297 8.889 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.328 10.111 0.689 1.00 0.00 H new ATOM 845 N SER A 137 -1.714 10.535 -2.902 1.00 0.00 N ATOM 846 CA SER A 137 -0.756 11.417 -2.246 1.00 0.00 C ATOM 847 C SER A 137 -1.052 12.853 -2.683 1.00 0.00 C ATOM 848 O SER A 137 -1.086 13.139 -3.880 1.00 0.00 O ATOM 849 CB SER A 137 0.665 11.030 -2.672 1.00 0.00 C ATOM 850 OG SER A 137 0.981 9.754 -2.160 1.00 0.00 O ATOM 0 H SER A 137 -1.281 9.868 -3.540 1.00 0.00 H new ATOM 0 HA SER A 137 -0.838 11.330 -1.163 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.741 11.026 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.379 11.767 -2.305 1.00 0.00 H new ATOM 0 HG SER A 137 1.955 9.652 -2.113 1.00 0.00 H new ATOM 856 N LYS A 138 -1.278 13.757 -1.718 1.00 0.00 N ATOM 857 CA LYS A 138 -1.725 15.116 -2.032 1.00 0.00 C ATOM 858 C LYS A 138 -0.748 15.876 -2.937 1.00 0.00 C ATOM 859 O LYS A 138 -1.190 16.683 -3.756 1.00 0.00 O ATOM 860 CB LYS A 138 -2.015 15.917 -0.743 1.00 0.00 C ATOM 861 CG LYS A 138 -0.802 16.141 0.177 1.00 0.00 C ATOM 862 CD LYS A 138 -1.220 16.839 1.479 1.00 0.00 C ATOM 863 CE LYS A 138 0.008 17.075 2.374 1.00 0.00 C ATOM 864 NZ LYS A 138 -0.343 17.773 3.639 1.00 0.00 N ATOM 0 H LYS A 138 -1.159 13.571 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.652 15.010 -2.595 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -2.423 16.888 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -2.788 15.397 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -0.334 15.184 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -0.056 16.744 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -1.701 17.790 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -1.953 16.229 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.475 16.118 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 138 0.745 17.665 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.516 17.910 4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -0.764 18.698 3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -1.026 17.200 4.174 1.00 0.00 H new ATOM 878 N ASP A 139 0.556 15.631 -2.782 1.00 0.00 N ATOM 879 CA ASP A 139 1.601 16.440 -3.409 1.00 0.00 C ATOM 880 C ASP A 139 1.690 16.250 -4.927 1.00 0.00 C ATOM 881 O ASP A 139 1.347 17.170 -5.675 1.00 0.00 O ATOM 882 CB ASP A 139 2.951 16.157 -2.739 1.00 0.00 C ATOM 883 CG ASP A 139 4.081 16.984 -3.380 1.00 0.00 C ATOM 884 OD1 ASP A 139 3.982 18.233 -3.398 1.00 0.00 O ATOM 885 OD2 ASP A 139 5.068 16.384 -3.865 1.00 0.00 O ATOM 0 H ASP A 139 0.916 14.863 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 139 1.329 17.485 -3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.887 16.389 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.184 15.095 -2.821 1.00 0.00 H new ATOM 890 N GLN A 140 2.129 15.074 -5.399 1.00 0.00 N ATOM 891 CA GLN A 140 2.473 14.828 -6.806 1.00 0.00 C ATOM 892 C GLN A 140 2.200 13.367 -7.183 1.00 0.00 C ATOM 893 O GLN A 140 1.951 12.521 -6.324 1.00 0.00 O ATOM 894 CB GLN A 140 3.963 15.178 -7.050 1.00 0.00 C ATOM 895 CG GLN A 140 4.227 16.687 -7.166 1.00 0.00 C ATOM 896 CD GLN A 140 5.716 16.986 -7.324 1.00 0.00 C ATOM 897 OE1 GLN A 140 6.205 17.238 -8.423 1.00 0.00 O ATOM 898 NE2 GLN A 140 6.466 16.962 -6.233 1.00 0.00 N ATOM 0 H GLN A 140 2.257 14.255 -4.804 1.00 0.00 H new ATOM 0 HA GLN A 140 1.850 15.463 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.561 14.774 -6.233 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.298 14.687 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 140 3.682 17.088 -8.021 1.00 0.00 H new ATOM 0 HG3 GLN A 140 3.846 17.193 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 140 6.044 16.751 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 140 7.466 17.154 -6.297 1.00 0.00 H new ATOM 907 N ASN A 141 2.233 13.089 -8.492 1.00 0.00 N ATOM 908 CA ASN A 141 1.942 11.781 -9.086 1.00 0.00 C ATOM 909 C ASN A 141 3.095 10.794 -8.829 1.00 0.00 C ATOM 910 O ASN A 141 4.219 11.226 -8.570 1.00 0.00 O ATOM 911 CB ASN A 141 1.698 11.999 -10.597 1.00 0.00 C ATOM 912 CG ASN A 141 0.886 10.890 -11.241 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.221 9.723 -11.121 1.00 0.00 O ATOM 914 ND2 ASN A 141 -0.193 11.198 -11.929 1.00 0.00 N ATOM 0 H ASN A 141 2.471 13.794 -9.190 1.00 0.00 H new ATOM 0 HA ASN A 141 1.055 11.340 -8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.182 12.948 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 141 2.659 12.078 -11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.749 10.461 -12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.473 12.174 -12.029 1.00 0.00 H new ATOM 921 N ILE A 142 2.836 9.480 -8.913 1.00 0.00 N ATOM 922 CA ILE A 142 3.837 8.427 -8.705 1.00 0.00 C ATOM 923 C ILE A 142 3.712 7.307 -9.774 1.00 0.00 C ATOM 924 O ILE A 142 4.270 6.223 -9.597 1.00 0.00 O ATOM 925 CB ILE A 142 3.820 7.886 -7.241 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.290 8.881 -6.180 1.00 0.00 C ATOM 927 CG2 ILE A 142 5.251 7.462 -6.851 1.00 0.00 C ATOM 928 CD1 ILE A 142 3.227 8.310 -4.760 1.00 0.00 C ATOM 0 H ILE A 142 1.909 9.115 -9.131 1.00 0.00 H new ATOM 0 HA ILE A 142 4.822 8.873 -8.843 1.00 0.00 H new ATOM 0 HB ILE A 142 3.122 7.049 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 142 3.928 9.765 -6.176 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.293 9.209 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 142 5.252 7.082 -5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 142 5.597 6.682 -7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.917 8.322 -6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 142 2.845 9.070 -4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 142 2.565 7.444 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.226 8.008 -4.444 1.00 0.00 H new ATOM 940 N VAL A 143 3.002 7.532 -10.890 1.00 0.00 N ATOM 941 CA VAL A 143 2.984 6.613 -12.037 1.00 0.00 C ATOM 942 C VAL A 143 2.882 7.369 -13.373 1.00 0.00 C ATOM 943 O VAL A 143 3.656 7.079 -14.285 1.00 0.00 O ATOM 944 CB VAL A 143 1.903 5.521 -11.842 1.00 0.00 C ATOM 945 CG1 VAL A 143 0.467 6.067 -11.809 1.00 0.00 C ATOM 946 CG2 VAL A 143 1.989 4.412 -12.901 1.00 0.00 C ATOM 0 H VAL A 143 2.422 8.360 -11.022 1.00 0.00 H new ATOM 0 HA VAL A 143 3.939 6.090 -12.085 1.00 0.00 H new ATOM 0 HB VAL A 143 2.126 5.103 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -0.233 5.243 -11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 143 0.365 6.773 -10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.248 6.573 -12.749 1.00 0.00 H new ATOM 0 HG21 VAL A 143 1.209 3.673 -12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.854 4.844 -13.892 1.00 0.00 H new ATOM 0 HG23 VAL A 143 2.965 3.931 -12.845 1.00 0.00 H new ATOM 956 N GLY A 144 2.007 8.381 -13.486 1.00 0.00 N ATOM 957 CA GLY A 144 1.970 9.264 -14.657 1.00 0.00 C ATOM 958 C GLY A 144 3.239 10.120 -14.738 1.00 0.00 C ATOM 959 O GLY A 144 3.701 10.468 -15.825 1.00 0.00 O ATOM 0 H GLY A 144 1.312 8.607 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 144 1.871 8.668 -15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 144 1.094 9.910 -14.603 1.00 0.00 H new ATOM 963 N ASN A 145 3.813 10.421 -13.572 1.00 0.00 N ATOM 964 CA ASN A 145 5.125 11.027 -13.342 1.00 0.00 C ATOM 965 C ASN A 145 5.588 10.440 -12.000 1.00 0.00 C ATOM 966 O ASN A 145 4.752 9.887 -11.285 1.00 0.00 O ATOM 967 CB ASN A 145 5.008 12.566 -13.322 1.00 0.00 C ATOM 968 CG ASN A 145 6.347 13.286 -13.485 1.00 0.00 C ATOM 969 OD1 ASN A 145 7.416 12.724 -13.257 1.00 0.00 O ATOM 970 ND2 ASN A 145 6.335 14.547 -13.881 1.00 0.00 N ATOM 0 H ASN A 145 3.333 10.232 -12.692 1.00 0.00 H new ATOM 0 HA ASN A 145 5.848 10.811 -14.128 1.00 0.00 H new ATOM 0 HB2 ASN A 145 4.337 12.881 -14.121 1.00 0.00 H new ATOM 0 HB3 ASN A 145 4.552 12.875 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 145 7.213 15.053 -13.997 1.00 0.00 H new ATOM 0 HD22 ASN A 145 5.448 15.014 -14.070 1.00 0.00 H new ATOM 977 N ALA A 146 6.862 10.548 -11.618 1.00 0.00 N ATOM 978 CA ALA A 146 7.427 9.828 -10.469 1.00 0.00 C ATOM 979 C ALA A 146 7.972 10.745 -9.362 1.00 0.00 C ATOM 980 O ALA A 146 8.748 10.291 -8.519 1.00 0.00 O ATOM 981 CB ALA A 146 8.489 8.850 -10.996 1.00 0.00 C ATOM 0 H ALA A 146 7.538 11.141 -12.099 1.00 0.00 H new ATOM 0 HA ALA A 146 6.623 9.280 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 146 8.925 8.302 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 146 8.025 8.148 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.271 9.406 -11.513 1.00 0.00 H new ATOM 987 N ARG A 147 7.609 12.037 -9.363 1.00 0.00 N ATOM 988 CA ARG A 147 8.159 12.998 -8.397 1.00 0.00 C ATOM 989 C ARG A 147 7.482 12.916 -7.021 1.00 0.00 C ATOM 990 O ARG A 147 8.049 13.426 -6.053 1.00 0.00 O ATOM 991 CB ARG A 147 8.104 14.436 -8.953 1.00 0.00 C ATOM 992 CG ARG A 147 9.322 14.802 -9.818 1.00 0.00 C ATOM 993 CD ARG A 147 9.396 14.071 -11.165 1.00 0.00 C ATOM 994 NE ARG A 147 10.633 14.421 -11.892 1.00 0.00 N ATOM 995 CZ ARG A 147 10.958 14.041 -13.136 1.00 0.00 C ATOM 996 NH1 ARG A 147 10.128 13.302 -13.872 1.00 0.00 N ATOM 997 NH2 ARG A 147 12.129 14.409 -13.648 1.00 0.00 N ATOM 0 H ARG A 147 6.940 12.438 -10.020 1.00 0.00 H new ATOM 0 HA ARG A 147 9.203 12.722 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 147 7.197 14.554 -9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 147 8.034 15.137 -8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 147 9.309 15.876 -10.003 1.00 0.00 H new ATOM 0 HG3 ARG A 147 10.229 14.587 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 147 9.359 12.994 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 147 8.528 14.330 -11.771 1.00 0.00 H new ATOM 0 HE ARG A 147 11.306 15.009 -11.400 1.00 0.00 H new ATOM 0 HH11 ARG A 147 9.226 13.015 -13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 147 10.394 13.023 -14.816 1.00 0.00 H new ATOM 0 HH21 ARG A 147 12.772 14.976 -13.095 1.00 0.00 H new ATOM 0 HH22 ARG A 147 12.384 14.124 -14.594 1.00 0.00 H new ATOM 1011 N GLY A 200 6.292 12.314 -6.915 1.00 0.00 N ATOM 1012 CA GLY A 200 5.588 12.165 -5.647 1.00 0.00 C ATOM 1013 C GLY A 200 6.196 11.092 -4.752 1.00 0.00 C ATOM 1014 O GLY A 200 7.176 10.422 -5.099 1.00 0.00 O ATOM 0 H GLY A 200 5.793 11.917 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 200 5.596 13.118 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 200 4.545 11.918 -5.844 1.00 0.00 H new ATOM 1018 N SER A 201 5.565 10.947 -3.586 1.00 0.00 N ATOM 1019 CA SER A 201 6.043 10.172 -2.450 1.00 0.00 C ATOM 1020 C SER A 201 4.836 9.569 -1.724 1.00 0.00 C ATOM 1021 O SER A 201 3.701 10.004 -1.934 1.00 0.00 O ATOM 1022 CB SER A 201 6.807 11.148 -1.542 1.00 0.00 C ATOM 1023 OG SER A 201 8.036 11.553 -2.133 1.00 0.00 O ATOM 0 H SER A 201 4.664 11.390 -3.404 1.00 0.00 H new ATOM 0 HA SER A 201 6.697 9.354 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 201 6.189 12.025 -1.346 1.00 0.00 H new ATOM 0 HB3 SER A 201 7.003 10.675 -0.580 1.00 0.00 H new ATOM 0 HG SER A 201 8.498 12.175 -1.533 1.00 0.00 H new ATOM 1029 N ARG A 363 5.063 8.567 -0.870 1.00 0.00 N ATOM 1030 CA ARG A 363 3.995 7.886 -0.131 1.00 0.00 C ATOM 1031 C ARG A 363 3.336 8.888 0.826 1.00 0.00 C ATOM 1032 O ARG A 363 3.997 9.359 1.756 1.00 0.00 O ATOM 1033 CB ARG A 363 4.563 6.674 0.639 1.00 0.00 C ATOM 1034 CG ARG A 363 5.182 5.610 -0.287 1.00 0.00 C ATOM 1035 CD ARG A 363 5.612 4.367 0.502 1.00 0.00 C ATOM 1036 NE ARG A 363 6.262 3.371 -0.374 1.00 0.00 N ATOM 1037 CZ ARG A 363 7.579 3.206 -0.575 1.00 0.00 C ATOM 1038 NH1 ARG A 363 8.476 3.958 0.062 1.00 0.00 N ATOM 1039 NH2 ARG A 363 7.985 2.274 -1.430 1.00 0.00 N ATOM 0 H ARG A 363 5.995 8.204 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 363 3.245 7.512 -0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 363 5.320 7.020 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.766 6.218 1.226 1.00 0.00 H new ATOM 0 HG2 ARG A 363 4.459 5.326 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 363 6.044 6.032 -0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 363 6.299 4.658 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 363 4.741 3.919 0.981 1.00 0.00 H new ATOM 0 HE ARG A 363 5.642 2.740 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 363 8.167 4.676 0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 363 9.472 3.816 -0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 363 7.300 1.699 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 363 8.982 2.134 -1.596 1.00 0.00 H new ATOM 1053 N ALA A 364 2.066 9.226 0.593 1.00 0.00 N ATOM 1054 CA ALA A 364 1.274 10.165 1.384 1.00 0.00 C ATOM 1055 C ALA A 364 -0.218 9.887 1.130 1.00 0.00 C ATOM 1056 O ALA A 364 -0.579 8.849 0.567 1.00 0.00 O ATOM 1057 CB ALA A 364 1.663 11.610 1.009 1.00 0.00 C ATOM 0 H ALA A 364 1.540 8.834 -0.188 1.00 0.00 H new ATOM 0 HA ALA A 364 1.471 10.038 2.449 1.00 0.00 H new ATOM 0 HB1 ALA A 364 1.072 12.311 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 364 2.722 11.766 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 364 1.470 11.775 -0.051 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.093 10.813 1.535 1.00 0.00 N ATOM 1064 CA HIS A 365 -2.543 10.747 1.328 1.00 0.00 C ATOM 1065 C HIS A 365 -3.110 12.162 1.167 1.00 0.00 C ATOM 1066 O HIS A 365 -2.337 13.119 1.048 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.196 9.980 2.492 1.00 0.00 C ATOM 1068 CG HIS A 365 -2.992 10.626 3.846 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -3.733 11.695 4.363 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -2.045 10.258 4.762 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.212 11.945 5.577 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -2.201 11.097 5.842 1.00 0.00 N ATOM 0 H HIS A 365 -0.802 11.655 2.031 1.00 0.00 H new ATOM 0 HA HIS A 365 -2.769 10.203 0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.265 9.891 2.301 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -2.792 8.968 2.519 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -1.318 9.466 4.658 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -3.557 12.719 6.247 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -1.645 11.079 6.697 1.00 0.00 H new ATOM 1080 N SER A 366 -4.437 12.288 1.105 1.00 0.00 N ATOM 1081 CA SER A 366 -5.174 13.532 0.918 1.00 0.00 C ATOM 1082 C SER A 366 -6.556 13.423 1.592 1.00 0.00 C ATOM 1083 O SER A 366 -6.911 12.359 2.118 1.00 0.00 O ATOM 1084 CB SER A 366 -5.290 13.816 -0.590 1.00 0.00 C ATOM 1085 OG SER A 366 -5.787 12.704 -1.306 1.00 0.00 O ATOM 0 H SER A 366 -5.055 11.481 1.189 1.00 0.00 H new ATOM 0 HA SER A 366 -4.648 14.365 1.385 1.00 0.00 H new ATOM 0 HB2 SER A 366 -5.948 14.671 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 366 -4.311 14.091 -0.983 1.00 0.00 H new ATOM 0 HG SER A 366 -5.037 12.181 -1.659 1.00 0.00 H new ATOM 1091 N SER A 367 -7.336 14.514 1.566 1.00 0.00 N ATOM 1092 CA SER A 367 -8.594 14.628 2.308 1.00 0.00 C ATOM 1093 C SER A 367 -9.808 14.916 1.405 1.00 0.00 C ATOM 1094 O SER A 367 -10.930 14.994 1.911 1.00 0.00 O ATOM 1095 CB SER A 367 -8.439 15.710 3.389 1.00 0.00 C ATOM 1096 OG SER A 367 -7.239 15.531 4.142 1.00 0.00 O ATOM 0 H SER A 367 -7.107 15.347 1.024 1.00 0.00 H new ATOM 0 HA SER A 367 -8.798 13.662 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 367 -8.433 16.694 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 367 -9.298 15.681 4.059 1.00 0.00 H new ATOM 0 HG SER A 367 -7.170 16.236 4.819 1.00 0.00 H new ATOM 1102 N HIS A 368 -9.624 15.066 0.084 1.00 0.00 N ATOM 1103 CA HIS A 368 -10.744 15.176 -0.853 1.00 0.00 C ATOM 1104 C HIS A 368 -11.391 13.794 -0.956 1.00 0.00 C ATOM 1105 O HIS A 368 -10.727 12.842 -1.374 1.00 0.00 O ATOM 1106 CB HIS A 368 -10.281 15.668 -2.235 1.00 0.00 C ATOM 1107 CG HIS A 368 -9.796 17.097 -2.231 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -10.596 18.228 -2.022 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -8.504 17.494 -2.428 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -9.756 19.279 -2.079 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -8.500 18.867 -2.329 1.00 0.00 N ATOM 0 H HIS A 368 -8.705 15.114 -0.357 1.00 0.00 H new ATOM 0 HA HIS A 368 -11.461 15.911 -0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -9.480 15.021 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.106 15.574 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -7.654 16.857 -2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -10.050 20.309 -1.943 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -7.683 19.470 -2.428 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.669 13.681 -0.587 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.459 12.448 -0.628 1.00 0.00 C ATOM 1121 C LEU A 369 -14.880 12.836 -1.049 1.00 0.00 C ATOM 1122 O LEU A 369 -15.329 13.951 -0.764 1.00 0.00 O ATOM 1123 CB LEU A 369 -13.512 11.765 0.755 1.00 0.00 C ATOM 1124 CG LEU A 369 -12.175 11.239 1.317 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -12.388 10.757 2.759 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -11.610 10.079 0.486 1.00 0.00 C ATOM 0 H LEU A 369 -13.203 14.477 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 369 -13.004 11.746 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.926 12.476 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -14.209 10.929 0.696 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.458 12.059 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -11.446 10.384 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -12.741 11.587 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -13.129 9.957 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -10.669 9.744 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -12.322 9.254 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -11.437 10.414 -0.537 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.593 11.915 -1.702 1.00 0.00 N HETATM 1139 CA M2L A 370 -17.000 12.098 -2.056 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.400 11.106 -3.162 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.317 10.991 -4.246 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.342 9.692 -5.063 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.613 9.490 -5.914 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.648 10.311 -7.170 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -17.617 11.798 -7.006 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -18.760 9.896 -8.090 1.00 0.00 C HETATM 1147 C M2L A 370 -17.877 11.868 -0.820 1.00 0.00 C HETATM 1148 O M2L A 370 -17.464 11.183 0.118 1.00 0.00 O HETATM 0 HM2B M2L A 370 -18.628 8.852 -8.373 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -19.717 10.016 -7.582 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -18.480 12.118 -6.421 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -16.702 12.088 -6.490 1.00 0.00 H new HETATM 0 HN M2L A 370 -15.036 11.204 -2.176 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -18.744 10.519 -8.984 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -17.647 12.273 -7.987 1.00 0.00 H new HETATM 0 HEA M2L A 370 -17.695 8.436 -6.180 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.485 9.735 -5.308 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.474 9.676 -5.722 1.00 0.00 H new HETATM 0 HD M2L A 370 -16.240 8.848 -4.381 1.00 0.00 H new HETATM 0 HBA M2L A 370 -17.580 10.125 -2.722 1.00 0.00 H new HETATM 0 HB M2L A 370 -18.337 11.428 -3.617 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.144 13.115 -2.420 1.00 0.00 H new ATOM 1164 N SER A 371 -19.119 12.366 -0.846 1.00 0.00 N ATOM 1165 CA SER A 371 -20.116 12.116 0.198 1.00 0.00 C ATOM 1166 C SER A 371 -20.522 10.631 0.250 1.00 0.00 C ATOM 1167 O SER A 371 -20.791 10.088 1.323 1.00 0.00 O ATOM 1168 CB SER A 371 -21.349 13.000 -0.053 1.00 0.00 C ATOM 1169 OG SER A 371 -20.972 14.357 -0.275 1.00 0.00 O ATOM 0 H SER A 371 -19.462 12.960 -1.601 1.00 0.00 H new ATOM 0 HA SER A 371 -19.675 12.366 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 371 -21.898 12.626 -0.917 1.00 0.00 H new ATOM 0 HB3 SER A 371 -22.022 12.942 0.802 1.00 0.00 H new ATOM 0 HG SER A 371 -21.774 14.898 -0.434 1.00 0.00 H new ATOM 1175 N LYS A 372 -20.492 9.940 -0.902 1.00 0.00 N ATOM 1176 CA LYS A 372 -20.821 8.512 -1.011 1.00 0.00 C ATOM 1177 C LYS A 372 -19.870 7.622 -0.197 1.00 0.00 C ATOM 1178 O LYS A 372 -20.242 6.502 0.154 1.00 0.00 O ATOM 1179 CB LYS A 372 -20.834 8.087 -2.495 1.00 0.00 C ATOM 1180 CG LYS A 372 -22.028 8.681 -3.264 1.00 0.00 C ATOM 1181 CD LYS A 372 -21.883 8.476 -4.781 1.00 0.00 C ATOM 1182 CE LYS A 372 -23.086 9.063 -5.542 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.209 8.098 -5.675 1.00 0.00 N ATOM 0 H LYS A 372 -20.235 10.364 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 372 -21.815 8.373 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -19.905 8.404 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -20.869 6.999 -2.559 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -22.951 8.215 -2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -22.108 9.746 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -20.964 8.949 -5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -21.796 7.412 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -23.438 9.955 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -22.764 9.378 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -25.058 8.597 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -23.952 7.358 -6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.404 7.663 -4.751 1.00 0.00 H new ATOM 1197 N LYS A 373 -18.646 8.089 0.104 1.00 0.00 N ATOM 1198 CA LYS A 373 -17.674 7.317 0.886 1.00 0.00 C ATOM 1199 C LYS A 373 -18.110 7.152 2.346 1.00 0.00 C ATOM 1200 O LYS A 373 -17.616 6.237 3.012 1.00 0.00 O ATOM 1201 CB LYS A 373 -16.271 7.951 0.819 1.00 0.00 C ATOM 1202 CG LYS A 373 -15.660 8.048 -0.597 1.00 0.00 C ATOM 1203 CD LYS A 373 -15.569 6.724 -1.383 1.00 0.00 C ATOM 1204 CE LYS A 373 -14.724 5.657 -0.660 1.00 0.00 C ATOM 1205 NZ LYS A 373 -14.635 4.382 -1.427 1.00 0.00 N ATOM 0 H LYS A 373 -18.307 9.006 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 373 -17.630 6.325 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -16.322 8.953 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -15.597 7.371 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -16.252 8.754 -1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -14.657 8.467 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -16.574 6.335 -1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -15.138 6.919 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -13.720 6.046 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -15.157 5.458 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -14.057 3.698 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -15.590 3.993 -1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.197 4.563 -2.353 1.00 0.00 H new ATOM 1219 N GLY A 374 -19.005 7.995 2.870 1.00 0.00 N ATOM 1220 CA GLY A 374 -19.452 7.934 4.251 1.00 0.00 C ATOM 1221 C GLY A 374 -20.303 9.154 4.553 1.00 0.00 C ATOM 1222 O GLY A 374 -19.731 10.261 4.664 1.00 0.00 O ATOM 1223 OXT GLY A 374 -21.538 8.999 4.677 1.00 0.00 O ATOM 0 H GLY A 374 -19.441 8.746 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -20.027 7.024 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -18.594 7.899 4.923 1.00 0.00 H new TER 1227 GLY A 374