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 130:sc= 0.401 USER MOD Set 1.2: A 141 ASN : amide:sc= 2.26 K(o=2.7,f=-11!) USER MOD Set 2.1: A 111 ASN : amide:sc= 0.617 X(o=0.92,f=0.71) USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0.3 USER MOD Set 3.1: A 103 TYR OH : rot 180:sc= 0.0322 USER MOD Set 3.2: A 368 HIS : no HD1:sc= 0.266 K(o=0.3,f=-1.2) USER MOD Set 4.1: A 92 GLN : amide:sc= 1.85 K(o=3,f=2.1) USER MOD Set 4.2: A 121 TYR OH : rot -8:sc= 1.18 USER MOD Single : A 84 SER OG : rot 32:sc= 0.0812 USER MOD Single : A 85 SER OG : rot 180:sc= 0.314 USER MOD Single : A 88 GLN : amide:sc= -0.552 K(o=-0.55,f=-1.5) USER MOD Single : A 90 ASN : amide:sc= -0.053 K(o=-0.053,f=-2.5!) USER MOD Single : A 96 SER OG : rot 53:sc= 0.0721 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -67:sc= 2 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc=-0.00313 K(o=-0.0031,f=-0.71) 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= -0.18 X(o=-0.18,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0.66 K(o=0.66,f=-4!) USER MOD Single : A 134 LYS NZ :NH3+ 174:sc= 0.985 (180deg=0.955) USER MOD Single : A 137 SER OG : rot 160:sc= 0.137 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 GLN : amide:sc= 1.05 K(o=1.1,f=-0.089) USER MOD Single : A 145 ASN : amide:sc= 0.842 K(o=0.84,f=-10!) 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=-0.0065) USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 371 SER OG : rot 180:sc= 0.00131 USER MOD Single : A 372 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 373 LYS NZ :NH3+ 137:sc= 0.0631 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 84 -0.231 0.501 1.918 1.00 0.00 N ATOM 2 CA SER A 84 -0.098 0.576 0.440 1.00 0.00 C ATOM 3 C SER A 84 0.146 2.024 -0.005 1.00 0.00 C ATOM 4 O SER A 84 -0.646 2.915 0.326 1.00 0.00 O ATOM 5 CB SER A 84 -1.331 -0.037 -0.255 1.00 0.00 C ATOM 6 OG SER A 84 -1.549 -1.382 0.169 1.00 0.00 O ATOM 0 HA SER A 84 0.768 -0.013 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.213 0.564 -0.033 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.192 -0.012 -1.336 1.00 0.00 H new ATOM 0 HG SER A 84 -1.264 -1.481 1.102 1.00 0.00 H new ATOM 12 N SER A 85 1.249 2.280 -0.724 1.00 0.00 N ATOM 13 CA SER A 85 1.732 3.629 -1.056 1.00 0.00 C ATOM 14 C SER A 85 2.370 3.684 -2.448 1.00 0.00 C ATOM 15 O SER A 85 3.215 4.536 -2.723 1.00 0.00 O ATOM 16 CB SER A 85 2.698 4.074 0.054 1.00 0.00 C ATOM 17 OG SER A 85 2.015 4.112 1.302 1.00 0.00 O ATOM 0 H SER A 85 1.842 1.540 -1.099 1.00 0.00 H new ATOM 0 HA SER A 85 0.892 4.323 -1.102 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.542 3.386 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.105 5.058 -0.178 1.00 0.00 H new ATOM 0 HG SER A 85 2.635 4.395 2.006 1.00 0.00 H new ATOM 23 N GLU A 86 1.945 2.785 -3.335 1.00 0.00 N ATOM 24 CA GLU A 86 2.261 2.802 -4.752 1.00 0.00 C ATOM 25 C GLU A 86 0.936 2.492 -5.444 1.00 0.00 C ATOM 26 O GLU A 86 0.244 1.550 -5.044 1.00 0.00 O ATOM 27 CB GLU A 86 3.332 1.754 -5.104 1.00 0.00 C ATOM 28 CG GLU A 86 4.712 2.077 -4.516 1.00 0.00 C ATOM 29 CD GLU A 86 5.762 1.040 -4.952 1.00 0.00 C ATOM 30 OE1 GLU A 86 6.405 1.225 -6.012 1.00 0.00 O ATOM 31 OE2 GLU A 86 5.956 0.026 -4.235 1.00 0.00 O ATOM 0 H GLU A 86 1.350 1.999 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 86 2.678 3.759 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.009 0.778 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.415 1.679 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.023 3.071 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.650 2.100 -3.428 1.00 0.00 H new ATOM 38 N PHE A 87 0.583 3.290 -6.451 1.00 0.00 N ATOM 39 CA PHE A 87 -0.722 3.265 -7.103 1.00 0.00 C ATOM 40 C PHE A 87 -0.544 2.867 -8.567 1.00 0.00 C ATOM 41 O PHE A 87 0.381 3.342 -9.224 1.00 0.00 O ATOM 42 CB PHE A 87 -1.384 4.647 -6.987 1.00 0.00 C ATOM 43 CG PHE A 87 -1.209 5.339 -5.644 1.00 0.00 C ATOM 44 CD1 PHE A 87 -2.075 5.064 -4.571 1.00 0.00 C ATOM 45 CD2 PHE A 87 -0.164 6.266 -5.472 1.00 0.00 C ATOM 46 CE1 PHE A 87 -1.907 5.721 -3.340 1.00 0.00 C ATOM 47 CE2 PHE A 87 0.006 6.916 -4.238 1.00 0.00 C ATOM 48 CZ PHE A 87 -0.874 6.660 -3.176 1.00 0.00 C ATOM 0 H PHE A 87 1.214 3.988 -6.844 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.368 2.534 -6.617 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -0.978 5.293 -7.766 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.450 4.539 -7.186 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.872 4.345 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.508 6.478 -6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -2.573 5.504 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.818 7.616 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.758 7.182 -2.237 1.00 0.00 H new ATOM 58 N GLN A 88 -1.408 1.989 -9.072 1.00 0.00 N ATOM 59 CA GLN A 88 -1.368 1.401 -10.406 1.00 0.00 C ATOM 60 C GLN A 88 -2.811 1.223 -10.908 1.00 0.00 C ATOM 61 O GLN A 88 -3.762 1.658 -10.255 1.00 0.00 O ATOM 62 CB GLN A 88 -0.643 0.027 -10.409 1.00 0.00 C ATOM 63 CG GLN A 88 0.611 -0.140 -9.533 1.00 0.00 C ATOM 64 CD GLN A 88 0.315 -0.296 -8.034 1.00 0.00 C ATOM 65 OE1 GLN A 88 -0.815 -0.535 -7.605 1.00 0.00 O ATOM 66 NE2 GLN A 88 1.325 -0.162 -7.191 1.00 0.00 N ATOM 0 H GLN A 88 -2.201 1.650 -8.527 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.810 2.069 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.365 -0.730 -10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.362 -0.198 -11.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.166 -1.013 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.258 0.725 -9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.261 0.036 -7.544 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.168 -0.257 -6.188 1.00 0.00 H new ATOM 75 N ILE A 89 -2.983 0.571 -12.066 1.00 0.00 N ATOM 76 CA ILE A 89 -4.298 0.133 -12.540 1.00 0.00 C ATOM 77 C ILE A 89 -4.961 -0.687 -11.420 1.00 0.00 C ATOM 78 O ILE A 89 -4.292 -1.454 -10.723 1.00 0.00 O ATOM 79 CB ILE A 89 -4.173 -0.638 -13.878 1.00 0.00 C ATOM 80 CG1 ILE A 89 -3.528 0.272 -14.956 1.00 0.00 C ATOM 81 CG2 ILE A 89 -5.546 -1.152 -14.348 1.00 0.00 C ATOM 82 CD1 ILE A 89 -3.292 -0.400 -16.317 1.00 0.00 C ATOM 0 H ILE A 89 -2.217 0.334 -12.696 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.938 0.988 -12.760 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.530 -1.504 -13.720 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.166 1.143 -15.104 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.573 0.637 -14.578 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.431 -1.690 -15.289 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.960 -1.823 -13.595 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.220 -0.308 -14.493 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.838 0.316 -17.002 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.626 -1.254 -16.191 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.244 -0.740 -16.725 1.00 0.00 H new ATOM 94 N ASN A 90 -6.280 -0.529 -11.274 1.00 0.00 N ATOM 95 CA ASN A 90 -7.110 -1.135 -10.236 1.00 0.00 C ATOM 96 C ASN A 90 -6.716 -0.707 -8.810 1.00 0.00 C ATOM 97 O ASN A 90 -7.081 -1.385 -7.849 1.00 0.00 O ATOM 98 CB ASN A 90 -7.239 -2.670 -10.411 1.00 0.00 C ATOM 99 CG ASN A 90 -7.967 -3.072 -11.690 1.00 0.00 C ATOM 100 OD1 ASN A 90 -8.978 -2.477 -12.055 1.00 0.00 O ATOM 101 ND2 ASN A 90 -7.481 -4.080 -12.402 1.00 0.00 N ATOM 0 H ASN A 90 -6.822 0.055 -11.910 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.113 -0.732 -10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -6.243 -3.113 -10.413 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -7.770 -3.083 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -7.947 -4.368 -13.262 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -6.641 -4.567 -12.089 1.00 0.00 H new ATOM 108 N GLU A 91 -6.032 0.431 -8.645 1.00 0.00 N ATOM 109 CA GLU A 91 -5.726 1.034 -7.348 1.00 0.00 C ATOM 110 C GLU A 91 -6.177 2.509 -7.379 1.00 0.00 C ATOM 111 O GLU A 91 -6.615 3.018 -8.415 1.00 0.00 O ATOM 112 CB GLU A 91 -4.230 0.810 -7.038 1.00 0.00 C ATOM 113 CG GLU A 91 -3.724 1.270 -5.664 1.00 0.00 C ATOM 114 CD GLU A 91 -4.566 0.722 -4.498 1.00 0.00 C ATOM 115 OE1 GLU A 91 -4.355 -0.442 -4.077 1.00 0.00 O ATOM 116 OE2 GLU A 91 -5.444 1.470 -4.009 1.00 0.00 O ATOM 0 H GLU A 91 -5.668 0.970 -9.431 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.270 0.570 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.020 -0.255 -7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.646 1.322 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.689 0.951 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.729 2.359 -5.627 1.00 0.00 H new ATOM 123 N GLN A 92 -6.162 3.167 -6.223 1.00 0.00 N ATOM 124 CA GLN A 92 -6.739 4.484 -5.990 1.00 0.00 C ATOM 125 C GLN A 92 -5.901 5.604 -6.613 1.00 0.00 C ATOM 126 O GLN A 92 -4.672 5.578 -6.582 1.00 0.00 O ATOM 127 CB GLN A 92 -6.848 4.704 -4.466 1.00 0.00 C ATOM 128 CG GLN A 92 -8.137 4.176 -3.806 1.00 0.00 C ATOM 129 CD GLN A 92 -8.771 2.926 -4.432 1.00 0.00 C ATOM 130 OE1 GLN A 92 -9.824 3.014 -5.059 1.00 0.00 O ATOM 131 NE2 GLN A 92 -8.180 1.751 -4.296 1.00 0.00 N ATOM 0 H GLN A 92 -5.727 2.777 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.721 4.518 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.994 4.226 -3.986 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.770 5.772 -4.265 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -7.919 3.959 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.878 4.976 -3.819 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -7.306 1.677 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.598 0.919 -4.711 1.00 0.00 H new ATOM 140 N VAL A 93 -6.585 6.646 -7.076 1.00 0.00 N ATOM 141 CA VAL A 93 -6.057 7.911 -7.570 1.00 0.00 C ATOM 142 C VAL A 93 -7.016 9.028 -7.166 1.00 0.00 C ATOM 143 O VAL A 93 -8.110 8.765 -6.661 1.00 0.00 O ATOM 144 CB VAL A 93 -5.880 7.883 -9.104 1.00 0.00 C ATOM 145 CG1 VAL A 93 -4.529 7.253 -9.457 1.00 0.00 C ATOM 146 CG2 VAL A 93 -7.054 7.226 -9.848 1.00 0.00 C ATOM 0 H VAL A 93 -7.604 6.624 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 93 -5.074 8.085 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.885 8.915 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.408 7.235 -10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.726 7.841 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.490 6.234 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.860 7.242 -10.920 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.164 6.194 -9.515 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.972 7.775 -9.637 1.00 0.00 H new ATOM 156 N LEU A 94 -6.617 10.272 -7.416 1.00 0.00 N ATOM 157 CA LEU A 94 -7.462 11.448 -7.303 1.00 0.00 C ATOM 158 C LEU A 94 -7.744 11.881 -8.737 1.00 0.00 C ATOM 159 O LEU A 94 -6.801 12.032 -9.516 1.00 0.00 O ATOM 160 CB LEU A 94 -6.719 12.559 -6.541 1.00 0.00 C ATOM 161 CG LEU A 94 -6.602 12.330 -5.026 1.00 0.00 C ATOM 162 CD1 LEU A 94 -5.617 13.345 -4.429 1.00 0.00 C ATOM 163 CD2 LEU A 94 -7.958 12.443 -4.316 1.00 0.00 C ATOM 0 H LEU A 94 -5.666 10.492 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.382 11.242 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.717 12.659 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.232 13.505 -6.713 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.237 11.315 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.534 13.183 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.638 13.218 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.978 14.356 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.825 12.274 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.371 13.439 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.643 11.697 -4.719 1.00 0.00 H new ATOM 175 N ALA A 95 -9.012 12.094 -9.086 1.00 0.00 N ATOM 176 CA ALA A 95 -9.436 12.467 -10.431 1.00 0.00 C ATOM 177 C ALA A 95 -10.491 13.568 -10.345 1.00 0.00 C ATOM 178 O ALA A 95 -11.331 13.542 -9.442 1.00 0.00 O ATOM 179 CB ALA A 95 -9.997 11.234 -11.151 1.00 0.00 C ATOM 0 H ALA A 95 -9.787 12.010 -8.428 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.584 12.844 -10.997 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.314 11.512 -12.156 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.225 10.467 -11.213 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.851 10.846 -10.596 1.00 0.00 H new ATOM 185 N SER A 96 -10.436 14.535 -11.255 1.00 0.00 N ATOM 186 CA SER A 96 -11.337 15.670 -11.297 1.00 0.00 C ATOM 187 C SER A 96 -12.742 15.225 -11.712 1.00 0.00 C ATOM 188 O SER A 96 -12.995 14.952 -12.890 1.00 0.00 O ATOM 189 CB SER A 96 -10.757 16.742 -12.223 1.00 0.00 C ATOM 190 OG SER A 96 -9.627 17.318 -11.584 1.00 0.00 O ATOM 0 H SER A 96 -9.742 14.546 -12.003 1.00 0.00 H new ATOM 0 HA SER A 96 -11.434 16.108 -10.303 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.470 16.304 -13.179 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.505 17.506 -12.434 1.00 0.00 H new ATOM 0 HG SER A 96 -9.007 16.609 -11.315 1.00 0.00 H new ATOM 196 N TRP A 97 -13.646 15.127 -10.734 1.00 0.00 N ATOM 197 CA TRP A 97 -15.051 14.847 -10.987 1.00 0.00 C ATOM 198 C TRP A 97 -15.683 16.044 -11.695 1.00 0.00 C ATOM 199 O TRP A 97 -15.237 17.186 -11.518 1.00 0.00 O ATOM 200 CB TRP A 97 -15.763 14.509 -9.681 1.00 0.00 C ATOM 201 CG TRP A 97 -17.105 13.850 -9.769 1.00 0.00 C ATOM 202 CD1 TRP A 97 -17.483 12.864 -10.615 1.00 0.00 C ATOM 203 CD2 TRP A 97 -18.278 14.117 -8.953 1.00 0.00 C ATOM 204 NE1 TRP A 97 -18.784 12.484 -10.346 1.00 0.00 N ATOM 205 CE2 TRP A 97 -19.312 13.196 -9.288 1.00 0.00 C ATOM 206 CE3 TRP A 97 -18.535 15.032 -7.924 1.00 0.00 C ATOM 207 CZ2 TRP A 97 -20.518 13.144 -8.570 1.00 0.00 C ATOM 208 CZ3 TRP A 97 -19.733 14.993 -7.190 1.00 0.00 C ATOM 209 CH2 TRP A 97 -20.714 14.035 -7.498 1.00 0.00 C ATOM 0 H TRP A 97 -13.419 15.240 -9.746 1.00 0.00 H new ATOM 0 HA TRP A 97 -15.149 13.979 -11.639 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -15.108 13.859 -9.101 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -15.880 15.433 -9.114 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -16.860 12.437 -11.387 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -19.291 11.767 -10.865 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -17.796 15.784 -7.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -21.284 12.431 -8.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -19.900 15.699 -6.390 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -21.619 13.982 -6.912 1.00 0.00 H new ATOM 220 N SER A 98 -16.751 15.790 -12.450 1.00 0.00 N ATOM 221 CA SER A 98 -17.459 16.793 -13.240 1.00 0.00 C ATOM 222 C SER A 98 -18.020 17.943 -12.389 1.00 0.00 C ATOM 223 O SER A 98 -18.326 19.009 -12.931 1.00 0.00 O ATOM 224 CB SER A 98 -18.580 16.103 -14.027 1.00 0.00 C ATOM 225 OG SER A 98 -18.097 14.930 -14.676 1.00 0.00 O ATOM 0 H SER A 98 -17.157 14.858 -12.530 1.00 0.00 H new ATOM 0 HA SER A 98 -16.742 17.249 -13.923 1.00 0.00 H new ATOM 0 HB2 SER A 98 -19.395 15.841 -13.353 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.987 16.792 -14.767 1.00 0.00 H new ATOM 0 HG SER A 98 -18.829 14.505 -15.170 1.00 0.00 H new ATOM 231 N ASP A 99 -18.144 17.749 -11.069 1.00 0.00 N ATOM 232 CA ASP A 99 -18.531 18.799 -10.136 1.00 0.00 C ATOM 233 C ASP A 99 -17.584 20.002 -10.204 1.00 0.00 C ATOM 234 O ASP A 99 -18.054 21.136 -10.342 1.00 0.00 O ATOM 235 CB ASP A 99 -18.560 18.267 -8.708 1.00 0.00 C ATOM 236 CG ASP A 99 -18.910 19.408 -7.734 1.00 0.00 C ATOM 237 OD1 ASP A 99 -20.119 19.646 -7.493 1.00 0.00 O ATOM 238 OD2 ASP A 99 -17.982 20.069 -7.208 1.00 0.00 O ATOM 0 H ASP A 99 -17.975 16.848 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 99 -19.529 19.128 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.294 17.466 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -17.591 17.840 -8.449 1.00 0.00 H new ATOM 243 N SER A 100 -16.266 19.760 -10.128 1.00 0.00 N ATOM 244 CA SER A 100 -15.257 20.817 -10.096 1.00 0.00 C ATOM 245 C SER A 100 -13.832 20.254 -10.207 1.00 0.00 C ATOM 246 O SER A 100 -13.129 20.544 -11.178 1.00 0.00 O ATOM 247 CB SER A 100 -15.409 21.662 -8.813 1.00 0.00 C ATOM 248 OG SER A 100 -15.516 20.857 -7.647 1.00 0.00 O ATOM 0 H SER A 100 -15.874 18.819 -10.087 1.00 0.00 H new ATOM 0 HA SER A 100 -15.421 21.456 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 100 -14.551 22.327 -8.715 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.294 22.293 -8.899 1.00 0.00 H new ATOM 0 HG SER A 100 -16.359 20.357 -7.671 1.00 0.00 H new ATOM 254 N ARG A 101 -13.394 19.466 -9.212 1.00 0.00 N ATOM 255 CA ARG A 101 -12.007 19.004 -9.066 1.00 0.00 C ATOM 256 C ARG A 101 -11.944 17.635 -8.391 1.00 0.00 C ATOM 257 O ARG A 101 -12.903 16.875 -8.468 1.00 0.00 O ATOM 258 CB ARG A 101 -11.106 20.075 -8.397 1.00 0.00 C ATOM 259 CG ARG A 101 -11.236 20.328 -6.877 1.00 0.00 C ATOM 260 CD ARG A 101 -12.630 20.780 -6.430 1.00 0.00 C ATOM 261 NE ARG A 101 -12.638 21.233 -5.026 1.00 0.00 N ATOM 262 CZ ARG A 101 -13.698 21.751 -4.389 1.00 0.00 C ATOM 263 NH1 ARG A 101 -14.884 21.832 -4.991 1.00 0.00 N ATOM 264 NH2 ARG A 101 -13.567 22.191 -3.140 1.00 0.00 N ATOM 0 H ARG A 101 -14.008 19.126 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 101 -11.592 18.864 -10.064 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.070 19.803 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -11.290 21.022 -8.904 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.975 19.413 -6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.510 21.086 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.973 21.589 -7.074 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.334 19.957 -6.550 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.769 21.145 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.994 21.498 -5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -15.682 22.228 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -12.663 22.133 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.371 22.586 -2.651 1.00 0.00 H new ATOM 278 N PHE A 102 -10.778 17.297 -7.849 1.00 0.00 N ATOM 279 CA PHE A 102 -10.399 15.992 -7.340 1.00 0.00 C ATOM 280 C PHE A 102 -11.356 15.367 -6.318 1.00 0.00 C ATOM 281 O PHE A 102 -11.732 16.002 -5.334 1.00 0.00 O ATOM 282 CB PHE A 102 -8.985 16.107 -6.749 1.00 0.00 C ATOM 283 CG PHE A 102 -7.971 16.574 -7.773 1.00 0.00 C ATOM 284 CD1 PHE A 102 -7.723 15.775 -8.902 1.00 0.00 C ATOM 285 CD2 PHE A 102 -7.288 17.798 -7.619 1.00 0.00 C ATOM 286 CE1 PHE A 102 -6.850 16.223 -9.898 1.00 0.00 C ATOM 287 CE2 PHE A 102 -6.389 18.230 -8.616 1.00 0.00 C ATOM 288 CZ PHE A 102 -6.174 17.440 -9.761 1.00 0.00 C ATOM 0 H PHE A 102 -10.025 17.977 -7.749 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.441 15.307 -8.187 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -8.999 16.804 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.679 15.139 -6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.207 14.815 -9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.453 18.403 -6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -6.696 15.623 -10.783 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.865 19.167 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 102 -5.491 17.772 -10.529 1.00 0.00 H new ATOM 298 N TYR A 103 -11.628 14.076 -6.531 1.00 0.00 N ATOM 299 CA TYR A 103 -12.304 13.117 -5.656 1.00 0.00 C ATOM 300 C TYR A 103 -11.533 11.796 -5.827 1.00 0.00 C ATOM 301 O TYR A 103 -10.845 11.631 -6.843 1.00 0.00 O ATOM 302 CB TYR A 103 -13.777 12.913 -6.058 1.00 0.00 C ATOM 303 CG TYR A 103 -14.698 14.066 -5.721 1.00 0.00 C ATOM 304 CD1 TYR A 103 -14.744 15.159 -6.593 1.00 0.00 C ATOM 305 CD2 TYR A 103 -15.502 14.063 -4.565 1.00 0.00 C ATOM 306 CE1 TYR A 103 -15.580 16.254 -6.343 1.00 0.00 C ATOM 307 CE2 TYR A 103 -16.374 15.142 -4.314 1.00 0.00 C ATOM 308 CZ TYR A 103 -16.404 16.250 -5.196 1.00 0.00 C ATOM 309 OH TYR A 103 -17.219 17.317 -4.947 1.00 0.00 O ATOM 0 H TYR A 103 -11.352 13.634 -7.408 1.00 0.00 H new ATOM 0 HA TYR A 103 -12.311 13.473 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.823 12.733 -7.132 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -14.151 12.014 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.123 15.158 -7.476 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -15.451 13.236 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -15.595 17.094 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -17.020 15.124 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 103 -17.721 17.159 -4.121 1.00 0.00 H new ATOM 319 N PRO A 104 -11.622 10.840 -4.883 1.00 0.00 N ATOM 320 CA PRO A 104 -11.004 9.528 -5.058 1.00 0.00 C ATOM 321 C PRO A 104 -11.680 8.762 -6.209 1.00 0.00 C ATOM 322 O PRO A 104 -12.894 8.875 -6.411 1.00 0.00 O ATOM 323 CB PRO A 104 -11.129 8.836 -3.696 1.00 0.00 C ATOM 324 CG PRO A 104 -12.349 9.503 -3.053 1.00 0.00 C ATOM 325 CD PRO A 104 -12.310 10.927 -3.602 1.00 0.00 C ATOM 0 HA PRO A 104 -9.955 9.585 -5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -11.273 7.761 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.232 8.977 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -13.274 8.994 -3.324 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.286 9.491 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.317 11.326 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -11.784 11.595 -2.920 1.00 0.00 H new ATOM 333 N ALA A 105 -10.895 7.979 -6.951 1.00 0.00 N ATOM 334 CA ALA A 105 -11.331 7.145 -8.065 1.00 0.00 C ATOM 335 C ALA A 105 -10.378 5.959 -8.204 1.00 0.00 C ATOM 336 O ALA A 105 -9.270 5.976 -7.668 1.00 0.00 O ATOM 337 CB ALA A 105 -11.322 7.978 -9.357 1.00 0.00 C ATOM 0 H ALA A 105 -9.892 7.908 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 105 -12.341 6.778 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -11.647 7.358 -10.192 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -11.999 8.825 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.313 8.343 -9.548 1.00 0.00 H new ATOM 343 N LYS A 106 -10.792 4.943 -8.963 1.00 0.00 N ATOM 344 CA LYS A 106 -10.013 3.747 -9.262 1.00 0.00 C ATOM 345 C LYS A 106 -9.388 3.943 -10.644 1.00 0.00 C ATOM 346 O LYS A 106 -10.100 4.323 -11.575 1.00 0.00 O ATOM 347 CB LYS A 106 -10.999 2.563 -9.208 1.00 0.00 C ATOM 348 CG LYS A 106 -10.378 1.181 -9.465 1.00 0.00 C ATOM 349 CD LYS A 106 -11.417 0.088 -9.158 1.00 0.00 C ATOM 350 CE LYS A 106 -10.862 -1.323 -9.413 1.00 0.00 C ATOM 351 NZ LYS A 106 -11.855 -2.386 -9.093 1.00 0.00 N ATOM 0 H LYS A 106 -11.713 4.933 -9.401 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.202 3.556 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.476 2.553 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.786 2.732 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.049 1.105 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.495 1.045 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.733 0.171 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.302 0.246 -9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.563 -1.410 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.966 -1.473 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.437 -3.320 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.122 -2.321 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.701 -2.261 -9.685 1.00 0.00 H new ATOM 365 N VAL A 107 -8.088 3.704 -10.805 1.00 0.00 N ATOM 366 CA VAL A 107 -7.446 3.723 -12.119 1.00 0.00 C ATOM 367 C VAL A 107 -8.005 2.567 -12.944 1.00 0.00 C ATOM 368 O VAL A 107 -8.068 1.443 -12.442 1.00 0.00 O ATOM 369 CB VAL A 107 -5.923 3.543 -11.988 1.00 0.00 C ATOM 370 CG1 VAL A 107 -5.204 3.582 -13.345 1.00 0.00 C ATOM 371 CG2 VAL A 107 -5.264 4.622 -11.141 1.00 0.00 C ATOM 0 H VAL A 107 -7.453 3.493 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.645 4.682 -12.598 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.822 2.566 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.133 3.450 -13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.582 2.781 -13.980 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.387 4.543 -13.826 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.191 4.438 -11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.443 5.598 -11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.686 4.604 -10.136 1.00 0.00 H new ATOM 381 N THR A 108 -8.281 2.808 -14.221 1.00 0.00 N ATOM 382 CA THR A 108 -8.613 1.761 -15.174 1.00 0.00 C ATOM 383 C THR A 108 -7.512 1.676 -16.250 1.00 0.00 C ATOM 384 O THR A 108 -7.228 0.575 -16.724 1.00 0.00 O ATOM 385 CB THR A 108 -10.046 1.980 -15.684 1.00 0.00 C ATOM 386 OG1 THR A 108 -10.200 3.311 -16.133 1.00 0.00 O ATOM 387 CG2 THR A 108 -11.066 1.782 -14.561 1.00 0.00 C ATOM 0 H THR A 108 -8.280 3.745 -14.625 1.00 0.00 H new ATOM 0 HA THR A 108 -8.625 0.772 -14.715 1.00 0.00 H new ATOM 0 HB THR A 108 -10.214 1.262 -16.486 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.115 3.443 -16.458 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.071 1.943 -14.950 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.986 0.767 -14.172 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.868 2.495 -13.760 1.00 0.00 H new ATOM 395 N ALA A 109 -6.844 2.787 -16.605 1.00 0.00 N ATOM 396 CA ALA A 109 -5.628 2.790 -17.429 1.00 0.00 C ATOM 397 C ALA A 109 -4.776 4.017 -17.110 1.00 0.00 C ATOM 398 O ALA A 109 -5.274 5.006 -16.574 1.00 0.00 O ATOM 399 CB ALA A 109 -5.961 2.726 -18.926 1.00 0.00 C ATOM 0 H ALA A 109 -7.140 3.721 -16.322 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.054 1.895 -17.187 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -5.037 2.730 -19.505 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.517 1.812 -19.136 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -6.566 3.590 -19.202 1.00 0.00 H new ATOM 405 N VAL A 110 -3.507 3.976 -17.511 1.00 0.00 N ATOM 406 CA VAL A 110 -2.571 5.091 -17.472 1.00 0.00 C ATOM 407 C VAL A 110 -1.857 5.077 -18.831 1.00 0.00 C ATOM 408 O VAL A 110 -1.561 3.999 -19.353 1.00 0.00 O ATOM 409 CB VAL A 110 -1.581 4.884 -16.310 1.00 0.00 C ATOM 410 CG1 VAL A 110 -0.621 6.074 -16.162 1.00 0.00 C ATOM 411 CG2 VAL A 110 -2.300 4.653 -14.974 1.00 0.00 C ATOM 0 H VAL A 110 -3.088 3.126 -17.888 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.062 6.050 -17.306 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.009 3.991 -16.560 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.061 5.890 -15.332 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.049 6.197 -17.082 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.193 6.981 -15.967 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.563 4.512 -14.184 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.921 5.518 -14.741 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.928 3.765 -15.047 1.00 0.00 H new ATOM 421 N ASN A 111 -1.571 6.254 -19.401 1.00 0.00 N ATOM 422 CA ASN A 111 -1.020 6.395 -20.745 1.00 0.00 C ATOM 423 C ASN A 111 0.135 7.389 -20.656 1.00 0.00 C ATOM 424 O ASN A 111 -0.089 8.577 -20.418 1.00 0.00 O ATOM 425 CB ASN A 111 -2.086 6.921 -21.726 1.00 0.00 C ATOM 426 CG ASN A 111 -3.367 6.090 -21.821 1.00 0.00 C ATOM 427 OD1 ASN A 111 -3.341 4.860 -21.842 1.00 0.00 O ATOM 428 ND2 ASN A 111 -4.520 6.744 -21.882 1.00 0.00 N ATOM 0 H ASN A 111 -1.720 7.146 -18.930 1.00 0.00 H new ATOM 0 HA ASN A 111 -0.682 5.427 -21.115 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.354 7.936 -21.433 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.641 6.983 -22.719 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -5.397 6.227 -21.947 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.529 7.764 -21.864 1.00 0.00 H new ATOM 435 N LYS A 112 1.375 6.928 -20.861 1.00 0.00 N ATOM 436 CA LYS A 112 2.584 7.753 -20.730 1.00 0.00 C ATOM 437 C LYS A 112 2.590 8.958 -21.684 1.00 0.00 C ATOM 438 O LYS A 112 3.282 9.942 -21.420 1.00 0.00 O ATOM 439 CB LYS A 112 3.825 6.854 -20.890 1.00 0.00 C ATOM 440 CG LYS A 112 5.141 7.568 -20.530 1.00 0.00 C ATOM 441 CD LYS A 112 6.355 6.628 -20.486 1.00 0.00 C ATOM 442 CE LYS A 112 6.331 5.704 -19.256 1.00 0.00 C ATOM 443 NZ LYS A 112 7.535 4.831 -19.188 1.00 0.00 N ATOM 0 H LYS A 112 1.570 5.962 -21.125 1.00 0.00 H new ATOM 0 HA LYS A 112 2.600 8.195 -19.734 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.712 5.974 -20.257 1.00 0.00 H new ATOM 0 HB3 LYS A 112 3.880 6.502 -21.920 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.328 8.357 -21.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.030 8.051 -19.559 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.377 6.023 -21.392 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.270 7.220 -20.476 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.270 6.308 -18.351 1.00 0.00 H new ATOM 0 HE3 LYS A 112 5.435 5.084 -19.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.477 4.225 -18.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 7.581 4.235 -20.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.389 5.422 -19.133 1.00 0.00 H new ATOM 457 N ASP A 113 1.785 8.915 -22.753 1.00 0.00 N ATOM 458 CA ASP A 113 1.536 10.055 -23.640 1.00 0.00 C ATOM 459 C ASP A 113 1.088 11.310 -22.872 1.00 0.00 C ATOM 460 O ASP A 113 1.421 12.428 -23.271 1.00 0.00 O ATOM 461 CB ASP A 113 0.475 9.685 -24.681 1.00 0.00 C ATOM 462 CG ASP A 113 0.183 10.867 -25.624 1.00 0.00 C ATOM 463 OD1 ASP A 113 1.041 11.178 -26.486 1.00 0.00 O ATOM 464 OD2 ASP A 113 -0.905 11.484 -25.513 1.00 0.00 O ATOM 0 H ASP A 113 1.281 8.072 -23.029 1.00 0.00 H new ATOM 0 HA ASP A 113 2.479 10.291 -24.132 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.816 8.828 -25.262 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.443 9.383 -24.177 1.00 0.00 H new ATOM 469 N GLY A 114 0.377 11.130 -21.751 1.00 0.00 N ATOM 470 CA GLY A 114 -0.012 12.200 -20.837 1.00 0.00 C ATOM 471 C GLY A 114 -1.457 12.082 -20.359 1.00 0.00 C ATOM 472 O GLY A 114 -2.027 13.083 -19.915 1.00 0.00 O ATOM 0 H GLY A 114 0.051 10.211 -21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.652 12.191 -19.973 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.123 13.161 -21.333 1.00 0.00 H new ATOM 476 N THR A 115 -2.080 10.903 -20.467 1.00 0.00 N ATOM 477 CA THR A 115 -3.509 10.727 -20.231 1.00 0.00 C ATOM 478 C THR A 115 -3.745 9.562 -19.266 1.00 0.00 C ATOM 479 O THR A 115 -2.829 8.820 -18.904 1.00 0.00 O ATOM 480 CB THR A 115 -4.282 10.659 -21.572 1.00 0.00 C ATOM 481 OG1 THR A 115 -3.874 9.557 -22.355 1.00 0.00 O ATOM 482 CG2 THR A 115 -4.063 11.918 -22.423 1.00 0.00 C ATOM 0 H THR A 115 -1.599 10.041 -20.723 1.00 0.00 H new ATOM 0 HA THR A 115 -3.925 11.599 -19.725 1.00 0.00 H new ATOM 0 HB THR A 115 -5.333 10.565 -21.297 1.00 0.00 H new ATOM 0 HG1 THR A 115 -4.383 9.544 -23.192 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.622 11.829 -23.354 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.409 12.793 -21.874 1.00 0.00 H new ATOM 0 HG23 THR A 115 -3.002 12.026 -22.646 1.00 0.00 H new ATOM 490 N TYR A 116 -4.982 9.432 -18.816 1.00 0.00 N ATOM 491 CA TYR A 116 -5.407 8.561 -17.741 1.00 0.00 C ATOM 492 C TYR A 116 -6.809 8.084 -18.071 1.00 0.00 C ATOM 493 O TYR A 116 -7.565 8.817 -18.713 1.00 0.00 O ATOM 494 CB TYR A 116 -5.453 9.393 -16.447 1.00 0.00 C ATOM 495 CG TYR A 116 -4.332 9.085 -15.483 1.00 0.00 C ATOM 496 CD1 TYR A 116 -4.478 8.034 -14.555 1.00 0.00 C ATOM 497 CD2 TYR A 116 -3.143 9.838 -15.503 1.00 0.00 C ATOM 498 CE1 TYR A 116 -3.459 7.766 -13.623 1.00 0.00 C ATOM 499 CE2 TYR A 116 -2.117 9.567 -14.581 1.00 0.00 C ATOM 500 CZ TYR A 116 -2.276 8.538 -13.627 1.00 0.00 C ATOM 501 OH TYR A 116 -1.284 8.296 -12.724 1.00 0.00 O ATOM 0 H TYR A 116 -5.757 9.962 -19.215 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.732 7.714 -17.619 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.417 10.451 -16.705 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.406 9.219 -15.948 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -5.375 7.433 -14.560 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -3.018 10.627 -16.230 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -3.581 6.970 -12.904 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -1.206 10.147 -14.602 1.00 0.00 H new ATOM 0 HH TYR A 116 -0.427 8.219 -13.193 1.00 0.00 H new ATOM 511 N THR A 117 -7.191 6.928 -17.539 1.00 0.00 N ATOM 512 CA THR A 117 -8.557 6.449 -17.581 1.00 0.00 C ATOM 513 C THR A 117 -8.878 6.017 -16.156 1.00 0.00 C ATOM 514 O THR A 117 -8.049 5.385 -15.488 1.00 0.00 O ATOM 515 CB THR A 117 -8.715 5.315 -18.612 1.00 0.00 C ATOM 516 OG1 THR A 117 -7.980 5.605 -19.796 1.00 0.00 O ATOM 517 CG2 THR A 117 -10.181 5.118 -19.006 1.00 0.00 C ATOM 0 H THR A 117 -6.549 6.294 -17.062 1.00 0.00 H new ATOM 0 HA THR A 117 -9.258 7.216 -17.910 1.00 0.00 H new ATOM 0 HB THR A 117 -8.336 4.408 -18.142 1.00 0.00 H new ATOM 0 HG1 THR A 117 -8.091 4.873 -20.438 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.257 4.311 -19.734 1.00 0.00 H new ATOM 0 HG22 THR A 117 -10.765 4.864 -18.121 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.567 6.039 -19.443 1.00 0.00 H new ATOM 525 N VAL A 118 -10.051 6.400 -15.662 1.00 0.00 N ATOM 526 CA VAL A 118 -10.434 6.166 -14.281 1.00 0.00 C ATOM 527 C VAL A 118 -11.915 5.818 -14.218 1.00 0.00 C ATOM 528 O VAL A 118 -12.690 6.180 -15.107 1.00 0.00 O ATOM 529 CB VAL A 118 -10.110 7.399 -13.403 1.00 0.00 C ATOM 530 CG1 VAL A 118 -8.604 7.677 -13.291 1.00 0.00 C ATOM 531 CG2 VAL A 118 -10.793 8.684 -13.900 1.00 0.00 C ATOM 0 H VAL A 118 -10.762 6.882 -16.212 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.860 5.328 -13.887 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.503 7.135 -12.421 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.441 8.553 -12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.107 6.815 -12.847 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.193 7.861 -14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.528 9.514 -13.245 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.461 8.903 -14.915 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -11.874 8.547 -13.893 1.00 0.00 H new ATOM 541 N LYS A 119 -12.306 5.167 -13.128 1.00 0.00 N ATOM 542 CA LYS A 119 -13.681 4.856 -12.786 1.00 0.00 C ATOM 543 C LYS A 119 -13.950 5.457 -11.415 1.00 0.00 C ATOM 544 O LYS A 119 -13.206 5.185 -10.472 1.00 0.00 O ATOM 545 CB LYS A 119 -13.843 3.329 -12.806 1.00 0.00 C ATOM 546 CG LYS A 119 -15.216 2.853 -12.310 1.00 0.00 C ATOM 547 CD LYS A 119 -15.376 1.345 -12.560 1.00 0.00 C ATOM 548 CE LYS A 119 -16.772 0.881 -12.110 1.00 0.00 C ATOM 549 NZ LYS A 119 -17.000 -0.569 -12.355 1.00 0.00 N ATOM 0 H LYS A 119 -11.642 4.829 -12.432 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.400 5.272 -13.491 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.688 2.968 -13.823 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.066 2.881 -12.187 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.320 3.066 -11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.006 3.400 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.235 1.127 -13.619 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.608 0.795 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.895 1.090 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -17.531 1.459 -12.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.954 -0.829 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.910 -0.768 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.295 -1.125 -11.830 1.00 0.00 H new ATOM 563 N PHE A 120 -14.984 6.281 -11.304 1.00 0.00 N ATOM 564 CA PHE A 120 -15.481 6.752 -10.020 1.00 0.00 C ATOM 565 C PHE A 120 -16.401 5.667 -9.457 1.00 0.00 C ATOM 566 O PHE A 120 -17.060 4.955 -10.217 1.00 0.00 O ATOM 567 CB PHE A 120 -16.247 8.071 -10.204 1.00 0.00 C ATOM 568 CG PHE A 120 -15.375 9.257 -10.575 1.00 0.00 C ATOM 569 CD1 PHE A 120 -14.527 9.839 -9.613 1.00 0.00 C ATOM 570 CD2 PHE A 120 -15.411 9.783 -11.879 1.00 0.00 C ATOM 571 CE1 PHE A 120 -13.726 10.945 -9.951 1.00 0.00 C ATOM 572 CE2 PHE A 120 -14.611 10.891 -12.213 1.00 0.00 C ATOM 573 CZ PHE A 120 -13.765 11.468 -11.252 1.00 0.00 C ATOM 0 H PHE A 120 -15.502 6.642 -12.105 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.658 6.941 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -17.001 7.934 -10.979 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -16.778 8.301 -9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -14.491 9.435 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -16.053 9.336 -12.624 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.081 11.391 -9.209 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.648 11.299 -13.212 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.146 12.313 -11.514 1.00 0.00 H new ATOM 583 N TYR A 121 -16.497 5.576 -8.128 1.00 0.00 N ATOM 584 CA TYR A 121 -17.240 4.505 -7.451 1.00 0.00 C ATOM 585 C TYR A 121 -18.748 4.556 -7.741 1.00 0.00 C ATOM 586 O TYR A 121 -19.426 3.531 -7.669 1.00 0.00 O ATOM 587 CB TYR A 121 -16.973 4.567 -5.942 1.00 0.00 C ATOM 588 CG TYR A 121 -15.500 4.718 -5.613 1.00 0.00 C ATOM 589 CD1 TYR A 121 -14.614 3.646 -5.824 1.00 0.00 C ATOM 590 CD2 TYR A 121 -15.014 5.937 -5.104 1.00 0.00 C ATOM 591 CE1 TYR A 121 -13.239 3.803 -5.570 1.00 0.00 C ATOM 592 CE2 TYR A 121 -13.645 6.095 -4.840 1.00 0.00 C ATOM 593 CZ TYR A 121 -12.746 5.035 -5.089 1.00 0.00 C ATOM 594 OH TYR A 121 -11.417 5.213 -4.864 1.00 0.00 O ATOM 0 H TYR A 121 -16.062 6.242 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 121 -16.883 3.554 -7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -17.524 5.404 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -17.355 3.661 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -14.990 2.699 -6.182 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -15.696 6.753 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -12.561 2.981 -5.743 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -13.278 7.031 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.951 4.356 -4.961 1.00 0.00 H new ATOM 604 N ASP A 122 -19.267 5.740 -8.095 1.00 0.00 N ATOM 605 CA ASP A 122 -20.659 5.922 -8.517 1.00 0.00 C ATOM 606 C ASP A 122 -20.984 5.144 -9.804 1.00 0.00 C ATOM 607 O ASP A 122 -22.134 4.746 -10.012 1.00 0.00 O ATOM 608 CB ASP A 122 -20.937 7.415 -8.716 1.00 0.00 C ATOM 609 CG ASP A 122 -22.397 7.659 -9.139 1.00 0.00 C ATOM 610 OD1 ASP A 122 -23.311 7.487 -8.293 1.00 0.00 O ATOM 611 OD2 ASP A 122 -22.636 8.029 -10.315 1.00 0.00 O ATOM 0 H ASP A 122 -18.726 6.605 -8.096 1.00 0.00 H new ATOM 0 HA ASP A 122 -21.303 5.523 -7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -20.729 7.953 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -20.264 7.815 -9.475 1.00 0.00 H new ATOM 616 N GLY A 123 -19.974 4.886 -10.649 1.00 0.00 N ATOM 617 CA GLY A 123 -20.078 4.063 -11.853 1.00 0.00 C ATOM 618 C GLY A 123 -19.586 4.773 -13.116 1.00 0.00 C ATOM 619 O GLY A 123 -19.388 4.114 -14.139 1.00 0.00 O ATOM 0 H GLY A 123 -19.035 5.258 -10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -19.502 3.149 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -21.117 3.766 -11.993 1.00 0.00 H new ATOM 623 N VAL A 124 -19.396 6.097 -13.070 1.00 0.00 N ATOM 624 CA VAL A 124 -18.902 6.890 -14.195 1.00 0.00 C ATOM 625 C VAL A 124 -17.467 6.455 -14.526 1.00 0.00 C ATOM 626 O VAL A 124 -16.669 6.187 -13.623 1.00 0.00 O ATOM 627 CB VAL A 124 -19.004 8.396 -13.841 1.00 0.00 C ATOM 628 CG1 VAL A 124 -18.494 9.309 -14.969 1.00 0.00 C ATOM 629 CG2 VAL A 124 -20.457 8.801 -13.533 1.00 0.00 C ATOM 0 H VAL A 124 -19.585 6.653 -12.236 1.00 0.00 H new ATOM 0 HA VAL A 124 -19.507 6.724 -15.086 1.00 0.00 H new ATOM 0 HB VAL A 124 -18.373 8.528 -12.962 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -18.590 10.351 -14.665 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -17.447 9.085 -15.173 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -19.083 9.138 -15.870 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -20.495 9.863 -13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -21.081 8.607 -14.405 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -20.825 8.221 -12.687 1.00 0.00 H new ATOM 639 N VAL A 125 -17.127 6.435 -15.816 1.00 0.00 N ATOM 640 CA VAL A 125 -15.792 6.135 -16.333 1.00 0.00 C ATOM 641 C VAL A 125 -15.456 7.251 -17.328 1.00 0.00 C ATOM 642 O VAL A 125 -16.347 7.744 -18.029 1.00 0.00 O ATOM 643 CB VAL A 125 -15.786 4.733 -16.987 1.00 0.00 C ATOM 644 CG1 VAL A 125 -14.398 4.344 -17.527 1.00 0.00 C ATOM 645 CG2 VAL A 125 -16.222 3.634 -16.004 1.00 0.00 C ATOM 0 H VAL A 125 -17.800 6.635 -16.556 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.038 6.105 -15.547 1.00 0.00 H new ATOM 0 HB VAL A 125 -16.497 4.804 -17.810 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.447 3.352 -17.976 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.084 5.068 -18.279 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -13.678 4.337 -16.709 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -16.203 2.667 -16.507 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -15.540 3.615 -15.154 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -17.233 3.840 -15.653 1.00 0.00 H new ATOM 655 N GLN A 126 -14.189 7.668 -17.391 1.00 0.00 N ATOM 656 CA GLN A 126 -13.740 8.742 -18.278 1.00 0.00 C ATOM 657 C GLN A 126 -12.267 8.556 -18.649 1.00 0.00 C ATOM 658 O GLN A 126 -11.502 7.999 -17.859 1.00 0.00 O ATOM 659 CB GLN A 126 -13.971 10.115 -17.595 1.00 0.00 C ATOM 660 CG GLN A 126 -13.437 10.227 -16.150 1.00 0.00 C ATOM 661 CD GLN A 126 -13.382 11.663 -15.616 1.00 0.00 C ATOM 662 OE1 GLN A 126 -12.380 12.073 -15.038 1.00 0.00 O ATOM 663 NE2 GLN A 126 -14.431 12.459 -15.780 1.00 0.00 N ATOM 0 H GLN A 126 -13.442 7.267 -16.824 1.00 0.00 H new ATOM 0 HA GLN A 126 -14.321 8.708 -19.200 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -13.499 10.889 -18.201 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -15.041 10.324 -17.588 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -14.069 9.630 -15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -12.437 9.796 -16.109 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -15.262 12.115 -16.261 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -14.406 13.415 -15.425 1.00 0.00 H new ATOM 672 N THR A 127 -11.874 9.078 -19.815 1.00 0.00 N ATOM 673 CA THR A 127 -10.477 9.206 -20.237 1.00 0.00 C ATOM 674 C THR A 127 -10.184 10.707 -20.165 1.00 0.00 C ATOM 675 O THR A 127 -10.956 11.514 -20.692 1.00 0.00 O ATOM 676 CB THR A 127 -10.242 8.635 -21.648 1.00 0.00 C ATOM 677 OG1 THR A 127 -10.893 7.383 -21.823 1.00 0.00 O ATOM 678 CG2 THR A 127 -8.745 8.454 -21.930 1.00 0.00 C ATOM 0 H THR A 127 -12.534 9.431 -20.507 1.00 0.00 H new ATOM 0 HA THR A 127 -9.806 8.632 -19.598 1.00 0.00 H new ATOM 0 HB THR A 127 -10.662 9.357 -22.348 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.724 7.051 -22.729 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.610 8.050 -22.933 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.242 9.418 -21.857 1.00 0.00 H new ATOM 0 HG23 THR A 127 -8.318 7.766 -21.201 1.00 0.00 H new ATOM 686 N VAL A 128 -9.104 11.084 -19.487 1.00 0.00 N ATOM 687 CA VAL A 128 -8.785 12.459 -19.111 1.00 0.00 C ATOM 688 C VAL A 128 -7.257 12.632 -19.072 1.00 0.00 C ATOM 689 O VAL A 128 -6.515 11.703 -19.394 1.00 0.00 O ATOM 690 CB VAL A 128 -9.483 12.785 -17.762 1.00 0.00 C ATOM 691 CG1 VAL A 128 -10.952 13.187 -17.947 1.00 0.00 C ATOM 692 CG2 VAL A 128 -9.397 11.638 -16.739 1.00 0.00 C ATOM 0 H VAL A 128 -8.400 10.416 -19.172 1.00 0.00 H new ATOM 0 HA VAL A 128 -9.160 13.173 -19.845 1.00 0.00 H new ATOM 0 HB VAL A 128 -8.928 13.635 -17.364 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -11.395 13.405 -16.975 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -11.010 14.073 -18.579 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -11.496 12.369 -18.419 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -9.904 11.931 -15.820 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -9.875 10.748 -17.149 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -8.351 11.421 -16.523 1.00 0.00 H new ATOM 702 N LYS A 129 -6.759 13.819 -18.719 1.00 0.00 N ATOM 703 CA LYS A 129 -5.340 14.170 -18.837 1.00 0.00 C ATOM 704 C LYS A 129 -4.644 14.085 -17.479 1.00 0.00 C ATOM 705 O LYS A 129 -5.306 14.032 -16.445 1.00 0.00 O ATOM 706 CB LYS A 129 -5.229 15.580 -19.444 1.00 0.00 C ATOM 707 CG LYS A 129 -5.826 15.611 -20.859 1.00 0.00 C ATOM 708 CD LYS A 129 -5.639 16.984 -21.520 1.00 0.00 C ATOM 709 CE LYS A 129 -6.222 16.964 -22.942 1.00 0.00 C ATOM 710 NZ LYS A 129 -6.051 18.266 -23.644 1.00 0.00 N ATOM 0 H LYS A 129 -7.334 14.571 -18.340 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.837 13.460 -19.494 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -5.749 16.297 -18.809 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -4.183 15.885 -19.478 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -5.352 14.844 -21.472 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -6.888 15.371 -20.812 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -6.132 17.753 -20.926 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.580 17.239 -21.555 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -5.737 16.177 -23.519 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.283 16.717 -22.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.460 18.202 -24.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -6.535 19.015 -23.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.038 18.491 -23.716 1.00 0.00 H new ATOM 724 N HIS A 130 -3.309 14.162 -17.461 1.00 0.00 N ATOM 725 CA HIS A 130 -2.532 14.314 -16.225 1.00 0.00 C ATOM 726 C HIS A 130 -2.985 15.551 -15.438 1.00 0.00 C ATOM 727 O HIS A 130 -3.113 15.487 -14.219 1.00 0.00 O ATOM 728 CB HIS A 130 -1.033 14.371 -16.564 1.00 0.00 C ATOM 729 CG HIS A 130 -0.118 14.745 -15.416 1.00 0.00 C ATOM 730 ND1 HIS A 130 1.035 15.528 -15.545 1.00 0.00 N ATOM 731 CD2 HIS A 130 -0.267 14.390 -14.103 1.00 0.00 C ATOM 732 CE1 HIS A 130 1.553 15.625 -14.309 1.00 0.00 C ATOM 733 NE2 HIS A 130 0.789 14.957 -13.424 1.00 0.00 N ATOM 0 H HIS A 130 -2.736 14.121 -18.304 1.00 0.00 H new ATOM 0 HA HIS A 130 -2.707 13.451 -15.583 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -0.728 13.397 -16.946 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -0.888 15.090 -17.370 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -1.056 13.785 -13.682 1.00 0.00 H new ATOM 0 HE1 HIS A 130 2.456 16.163 -14.060 1.00 0.00 H new ATOM 0 HE2 HIS A 130 0.963 14.883 -12.422 1.00 0.00 H new ATOM 741 N ILE A 131 -3.337 16.655 -16.109 1.00 0.00 N ATOM 742 CA ILE A 131 -3.891 17.836 -15.428 1.00 0.00 C ATOM 743 C ILE A 131 -5.247 17.573 -14.748 1.00 0.00 C ATOM 744 O ILE A 131 -5.743 18.452 -14.040 1.00 0.00 O ATOM 745 CB ILE A 131 -3.958 19.053 -16.373 1.00 0.00 C ATOM 746 CG1 ILE A 131 -4.777 18.790 -17.654 1.00 0.00 C ATOM 747 CG2 ILE A 131 -2.526 19.502 -16.690 1.00 0.00 C ATOM 748 CD1 ILE A 131 -5.137 20.070 -18.420 1.00 0.00 C ATOM 0 H ILE A 131 -3.249 16.757 -17.120 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.195 18.070 -14.623 1.00 0.00 H new ATOM 0 HB ILE A 131 -4.494 19.854 -15.864 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.210 18.130 -18.310 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -5.694 18.264 -17.389 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.554 20.363 -17.358 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -2.018 19.776 -15.766 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -1.987 18.686 -17.172 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -5.712 19.812 -19.309 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.731 20.722 -17.780 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.224 20.586 -18.716 1.00 0.00 H new ATOM 760 N HIS A 132 -5.840 16.388 -14.922 1.00 0.00 N ATOM 761 CA HIS A 132 -7.129 16.021 -14.350 1.00 0.00 C ATOM 762 C HIS A 132 -7.020 14.817 -13.401 1.00 0.00 C ATOM 763 O HIS A 132 -7.996 14.529 -12.710 1.00 0.00 O ATOM 764 CB HIS A 132 -8.125 15.656 -15.464 1.00 0.00 C ATOM 765 CG HIS A 132 -8.285 16.632 -16.605 1.00 0.00 C ATOM 766 ND1 HIS A 132 -8.420 16.271 -17.950 1.00 0.00 N ATOM 767 CD2 HIS A 132 -8.327 17.993 -16.505 1.00 0.00 C ATOM 768 CE1 HIS A 132 -8.558 17.425 -18.624 1.00 0.00 C ATOM 769 NE2 HIS A 132 -8.507 18.471 -17.782 1.00 0.00 N ATOM 0 H HIS A 132 -5.423 15.642 -15.479 1.00 0.00 H new ATOM 0 HA HIS A 132 -7.476 16.888 -13.787 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -7.824 14.696 -15.883 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -9.103 15.511 -15.006 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -8.237 18.578 -15.602 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -8.691 17.501 -19.693 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -8.588 19.453 -18.045 1.00 0.00 H new ATOM 777 N VAL A 133 -5.904 14.076 -13.376 1.00 0.00 N ATOM 778 CA VAL A 133 -5.735 12.874 -12.549 1.00 0.00 C ATOM 779 C VAL A 133 -4.314 12.795 -12.002 1.00 0.00 C ATOM 780 O VAL A 133 -3.346 13.021 -12.726 1.00 0.00 O ATOM 781 CB VAL A 133 -6.064 11.591 -13.343 1.00 0.00 C ATOM 782 CG1 VAL A 133 -6.007 10.348 -12.441 1.00 0.00 C ATOM 783 CG2 VAL A 133 -7.458 11.655 -13.967 1.00 0.00 C ATOM 0 H VAL A 133 -5.082 14.298 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.435 12.948 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.313 11.518 -14.129 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.243 9.461 -13.029 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.006 10.249 -12.021 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.731 10.451 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -7.653 10.735 -14.517 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -8.204 11.772 -13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -7.513 12.504 -14.649 1.00 0.00 H new ATOM 793 N LYS A 134 -4.181 12.401 -10.736 1.00 0.00 N ATOM 794 CA LYS A 134 -2.893 12.180 -10.088 1.00 0.00 C ATOM 795 C LYS A 134 -3.024 11.054 -9.067 1.00 0.00 C ATOM 796 O LYS A 134 -4.114 10.518 -8.874 1.00 0.00 O ATOM 797 CB LYS A 134 -2.371 13.506 -9.498 1.00 0.00 C ATOM 798 CG LYS A 134 -3.331 14.208 -8.516 1.00 0.00 C ATOM 799 CD LYS A 134 -2.737 15.552 -8.068 1.00 0.00 C ATOM 800 CE LYS A 134 -3.732 16.338 -7.200 1.00 0.00 C ATOM 801 NZ LYS A 134 -3.187 17.670 -6.800 1.00 0.00 N ATOM 0 H LYS A 134 -4.978 12.224 -10.125 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.144 11.855 -10.810 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.429 13.312 -8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -2.152 14.189 -10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -4.298 14.370 -8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -3.506 13.572 -7.649 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -1.819 15.378 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.468 16.143 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -4.663 16.476 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -3.971 15.760 -6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -3.923 18.211 -6.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -2.370 17.536 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -2.888 18.192 -7.648 1.00 0.00 H new ATOM 815 N ALA A 135 -1.907 10.686 -8.436 1.00 0.00 N ATOM 816 CA ALA A 135 -1.858 9.680 -7.381 1.00 0.00 C ATOM 817 C ALA A 135 -2.805 10.053 -6.230 1.00 0.00 C ATOM 818 O ALA A 135 -3.281 11.188 -6.154 1.00 0.00 O ATOM 819 CB ALA A 135 -0.409 9.576 -6.889 1.00 0.00 C ATOM 0 H ALA A 135 -0.995 11.089 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.187 8.715 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.346 8.829 -6.098 1.00 0.00 H new ATOM 0 HB2 ALA A 135 0.236 9.283 -7.717 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.086 10.542 -6.502 1.00 0.00 H new ATOM 825 N PHE A 136 -3.057 9.116 -5.303 1.00 0.00 N ATOM 826 CA PHE A 136 -3.772 9.486 -4.078 1.00 0.00 C ATOM 827 C PHE A 136 -2.932 10.513 -3.289 1.00 0.00 C ATOM 828 O PHE A 136 -3.482 11.361 -2.584 1.00 0.00 O ATOM 829 CB PHE A 136 -4.152 8.250 -3.248 1.00 0.00 C ATOM 830 CG PHE A 136 -5.440 8.329 -2.430 1.00 0.00 C ATOM 831 CD1 PHE A 136 -6.181 9.522 -2.269 1.00 0.00 C ATOM 832 CD2 PHE A 136 -5.912 7.151 -1.815 1.00 0.00 C ATOM 833 CE1 PHE A 136 -7.393 9.527 -1.558 1.00 0.00 C ATOM 834 CE2 PHE A 136 -7.113 7.160 -1.083 1.00 0.00 C ATOM 835 CZ PHE A 136 -7.858 8.344 -0.958 1.00 0.00 C ATOM 0 H PHE A 136 -2.788 8.135 -5.374 1.00 0.00 H new ATOM 0 HA PHE A 136 -4.719 9.959 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -4.233 7.400 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.330 8.036 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -5.811 10.441 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -5.347 6.235 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -7.966 10.438 -1.473 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -7.464 6.252 -0.615 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.785 8.346 -0.403 1.00 0.00 H new ATOM 845 N SER A 137 -1.601 10.471 -3.441 1.00 0.00 N ATOM 846 CA SER A 137 -0.702 11.499 -2.951 1.00 0.00 C ATOM 847 C SER A 137 -0.989 12.816 -3.692 1.00 0.00 C ATOM 848 O SER A 137 -0.821 12.899 -4.909 1.00 0.00 O ATOM 849 CB SER A 137 0.737 11.033 -3.185 1.00 0.00 C ATOM 850 OG SER A 137 0.899 9.742 -2.614 1.00 0.00 O ATOM 0 H SER A 137 -1.122 9.706 -3.916 1.00 0.00 H new ATOM 0 HA SER A 137 -0.849 11.671 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.955 11.004 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 137 1.439 11.735 -2.735 1.00 0.00 H new ATOM 0 HG SER A 137 1.677 9.302 -3.016 1.00 0.00 H new ATOM 856 N LYS A 138 -1.431 13.846 -2.961 1.00 0.00 N ATOM 857 CA LYS A 138 -1.872 15.105 -3.571 1.00 0.00 C ATOM 858 C LYS A 138 -0.761 15.890 -4.273 1.00 0.00 C ATOM 859 O LYS A 138 -1.076 16.695 -5.148 1.00 0.00 O ATOM 860 CB LYS A 138 -2.596 15.979 -2.524 1.00 0.00 C ATOM 861 CG LYS A 138 -1.701 16.474 -1.369 1.00 0.00 C ATOM 862 CD LYS A 138 -2.472 17.414 -0.427 1.00 0.00 C ATOM 863 CE LYS A 138 -1.577 17.841 0.749 1.00 0.00 C ATOM 864 NZ LYS A 138 -2.258 18.794 1.668 1.00 0.00 N ATOM 0 H LYS A 138 -1.493 13.832 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 138 -2.568 14.830 -4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -3.027 16.844 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -3.425 15.409 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -1.325 15.620 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -0.834 16.994 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -2.808 18.294 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -3.364 16.912 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -1.272 16.957 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.669 18.302 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -1.613 19.050 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -2.526 19.651 1.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -3.111 18.348 2.061 1.00 0.00 H new ATOM 878 N ASP A 139 0.508 15.705 -3.889 1.00 0.00 N ATOM 879 CA ASP A 139 1.579 16.591 -4.352 1.00 0.00 C ATOM 880 C ASP A 139 2.154 16.218 -5.722 1.00 0.00 C ATOM 881 O ASP A 139 2.487 17.114 -6.497 1.00 0.00 O ATOM 882 CB ASP A 139 2.722 16.617 -3.329 1.00 0.00 C ATOM 883 CG ASP A 139 3.662 17.812 -3.594 1.00 0.00 C ATOM 884 OD1 ASP A 139 3.208 18.975 -3.464 1.00 0.00 O ATOM 885 OD2 ASP A 139 4.852 17.603 -3.928 1.00 0.00 O ATOM 0 H ASP A 139 0.815 14.958 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 139 1.119 17.574 -4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 139 2.313 16.686 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 139 3.286 15.686 -3.382 1.00 0.00 H new ATOM 890 N GLN A 140 2.269 14.919 -6.035 1.00 0.00 N ATOM 891 CA GLN A 140 2.994 14.416 -7.210 1.00 0.00 C ATOM 892 C GLN A 140 2.327 13.151 -7.754 1.00 0.00 C ATOM 893 O GLN A 140 1.534 12.515 -7.064 1.00 0.00 O ATOM 894 CB GLN A 140 4.443 14.039 -6.822 1.00 0.00 C ATOM 895 CG GLN A 140 5.315 15.158 -6.242 1.00 0.00 C ATOM 896 CD GLN A 140 5.553 16.341 -7.186 1.00 0.00 C ATOM 897 OE1 GLN A 140 5.684 16.189 -8.401 1.00 0.00 O ATOM 898 NE2 GLN A 140 5.619 17.547 -6.644 1.00 0.00 N ATOM 0 H GLN A 140 1.855 14.178 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 140 2.986 15.205 -7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 140 4.400 13.229 -6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 140 4.941 13.645 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.848 15.528 -5.329 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.280 14.738 -5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 140 5.509 17.660 -5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.780 18.363 -7.234 1.00 0.00 H new ATOM 907 N ASN A 141 2.678 12.755 -8.984 1.00 0.00 N ATOM 908 CA ASN A 141 2.296 11.451 -9.532 1.00 0.00 C ATOM 909 C ASN A 141 3.324 10.405 -9.076 1.00 0.00 C ATOM 910 O ASN A 141 4.383 10.769 -8.560 1.00 0.00 O ATOM 911 CB ASN A 141 2.221 11.513 -11.069 1.00 0.00 C ATOM 912 CG ASN A 141 1.243 10.485 -11.617 1.00 0.00 C ATOM 913 OD1 ASN A 141 1.500 9.294 -11.541 1.00 0.00 O ATOM 914 ND2 ASN A 141 0.114 10.875 -12.169 1.00 0.00 N ATOM 0 H ASN A 141 3.231 13.327 -9.622 1.00 0.00 H new ATOM 0 HA ASN A 141 1.308 11.172 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 141 1.914 12.512 -11.380 1.00 0.00 H new ATOM 0 HB3 ASN A 141 3.211 11.337 -11.491 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -0.542 10.183 -12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -0.105 11.869 -12.235 1.00 0.00 H new ATOM 921 N ILE A 142 3.027 9.117 -9.290 1.00 0.00 N ATOM 922 CA ILE A 142 3.890 7.992 -8.937 1.00 0.00 C ATOM 923 C ILE A 142 4.088 7.029 -10.142 1.00 0.00 C ATOM 924 O ILE A 142 5.028 6.232 -10.113 1.00 0.00 O ATOM 925 CB ILE A 142 3.327 7.303 -7.666 1.00 0.00 C ATOM 926 CG1 ILE A 142 3.065 8.264 -6.472 1.00 0.00 C ATOM 927 CG2 ILE A 142 4.248 6.176 -7.182 1.00 0.00 C ATOM 928 CD1 ILE A 142 4.297 8.906 -5.820 1.00 0.00 C ATOM 0 H ILE A 142 2.153 8.825 -9.727 1.00 0.00 H new ATOM 0 HA ILE A 142 4.892 8.348 -8.698 1.00 0.00 H new ATOM 0 HB ILE A 142 2.364 6.906 -7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.407 9.062 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 142 2.522 7.712 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.822 5.716 -6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.347 5.425 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 142 5.230 6.585 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 142 3.980 9.553 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 142 4.952 8.126 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 142 4.835 9.496 -6.562 1.00 0.00 H new ATOM 940 N VAL A 143 3.296 7.119 -11.227 1.00 0.00 N ATOM 941 CA VAL A 143 3.462 6.292 -12.438 1.00 0.00 C ATOM 942 C VAL A 143 3.535 7.125 -13.728 1.00 0.00 C ATOM 943 O VAL A 143 4.330 6.788 -14.608 1.00 0.00 O ATOM 944 CB VAL A 143 2.391 5.180 -12.534 1.00 0.00 C ATOM 945 CG1 VAL A 143 2.575 4.142 -11.420 1.00 0.00 C ATOM 946 CG2 VAL A 143 0.940 5.687 -12.506 1.00 0.00 C ATOM 0 H VAL A 143 2.516 7.773 -11.289 1.00 0.00 H new ATOM 0 HA VAL A 143 4.430 5.802 -12.335 1.00 0.00 H new ATOM 0 HB VAL A 143 2.551 4.729 -13.513 1.00 0.00 H new ATOM 0 HG11 VAL A 143 1.809 3.372 -11.511 1.00 0.00 H new ATOM 0 HG12 VAL A 143 3.561 3.686 -11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.486 4.630 -10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 143 0.257 4.840 -12.578 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.759 6.221 -11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 143 0.773 6.360 -13.347 1.00 0.00 H new ATOM 956 N GLY A 144 2.788 8.230 -13.845 1.00 0.00 N ATOM 957 CA GLY A 144 2.963 9.186 -14.945 1.00 0.00 C ATOM 958 C GLY A 144 4.355 9.842 -14.878 1.00 0.00 C ATOM 959 O GLY A 144 4.956 10.169 -15.903 1.00 0.00 O ATOM 0 H GLY A 144 2.052 8.485 -13.186 1.00 0.00 H new ATOM 0 HA2 GLY A 144 2.841 8.675 -15.900 1.00 0.00 H new ATOM 0 HA3 GLY A 144 2.191 9.953 -14.893 1.00 0.00 H new ATOM 963 N ASN A 145 4.877 9.975 -13.655 1.00 0.00 N ATOM 964 CA ASN A 145 6.238 10.356 -13.286 1.00 0.00 C ATOM 965 C ASN A 145 6.473 9.662 -11.939 1.00 0.00 C ATOM 966 O ASN A 145 5.496 9.421 -11.229 1.00 0.00 O ATOM 967 CB ASN A 145 6.347 11.888 -13.168 1.00 0.00 C ATOM 968 CG ASN A 145 7.766 12.375 -12.890 1.00 0.00 C ATOM 969 OD1 ASN A 145 8.730 11.618 -12.965 1.00 0.00 O ATOM 970 ND2 ASN A 145 7.931 13.644 -12.565 1.00 0.00 N ATOM 0 H ASN A 145 4.306 9.803 -12.828 1.00 0.00 H new ATOM 0 HA ASN A 145 6.983 10.060 -14.025 1.00 0.00 H new ATOM 0 HB2 ASN A 145 5.989 12.342 -14.092 1.00 0.00 H new ATOM 0 HB3 ASN A 145 5.690 12.231 -12.369 1.00 0.00 H new ATOM 0 HD21 ASN A 145 8.866 14.004 -12.373 1.00 0.00 H new ATOM 0 HD22 ASN A 145 7.124 14.264 -12.506 1.00 0.00 H new ATOM 977 N ALA A 146 7.714 9.349 -11.557 1.00 0.00 N ATOM 978 CA ALA A 146 8.003 8.484 -10.405 1.00 0.00 C ATOM 979 C ALA A 146 8.870 9.143 -9.320 1.00 0.00 C ATOM 980 O ALA A 146 9.358 8.446 -8.428 1.00 0.00 O ATOM 981 CB ALA A 146 8.620 7.179 -10.927 1.00 0.00 C ATOM 0 H ALA A 146 8.548 9.687 -12.036 1.00 0.00 H new ATOM 0 HA ALA A 146 7.062 8.280 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 146 8.843 6.521 -10.087 1.00 0.00 H new ATOM 0 HB2 ALA A 146 7.916 6.686 -11.597 1.00 0.00 H new ATOM 0 HB3 ALA A 146 9.540 7.402 -11.467 1.00 0.00 H new ATOM 987 N ARG A 147 9.079 10.468 -9.365 1.00 0.00 N ATOM 988 CA ARG A 147 9.890 11.169 -8.354 1.00 0.00 C ATOM 989 C ARG A 147 9.085 11.493 -7.083 1.00 0.00 C ATOM 990 O ARG A 147 9.660 12.008 -6.122 1.00 0.00 O ATOM 991 CB ARG A 147 10.541 12.439 -8.942 1.00 0.00 C ATOM 992 CG ARG A 147 11.741 12.158 -9.870 1.00 0.00 C ATOM 993 CD ARG A 147 11.339 11.701 -11.278 1.00 0.00 C ATOM 994 NE ARG A 147 12.511 11.522 -12.153 1.00 0.00 N ATOM 995 CZ ARG A 147 12.477 11.326 -13.481 1.00 0.00 C ATOM 996 NH1 ARG A 147 11.316 11.276 -14.134 1.00 0.00 N ATOM 997 NH2 ARG A 147 13.613 11.180 -14.156 1.00 0.00 N ATOM 0 H ARG A 147 8.698 11.076 -10.090 1.00 0.00 H new ATOM 0 HA ARG A 147 10.687 10.487 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 147 9.788 12.997 -9.498 1.00 0.00 H new ATOM 0 HB3 ARG A 147 10.870 13.078 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 147 12.346 13.061 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 147 12.369 11.392 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 147 10.789 10.762 -11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 147 10.665 12.435 -11.719 1.00 0.00 H new ATOM 0 HE ARG A 147 13.430 11.549 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 147 10.439 11.387 -13.625 1.00 0.00 H new ATOM 0 HH12 ARG A 147 11.304 11.127 -15.143 1.00 0.00 H new ATOM 0 HH21 ARG A 147 14.506 11.217 -13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.591 11.031 -15.165 1.00 0.00 H new ATOM 1011 N GLY A 200 7.770 11.243 -7.070 1.00 0.00 N ATOM 1012 CA GLY A 200 6.891 11.598 -5.963 1.00 0.00 C ATOM 1013 C GLY A 200 7.023 10.688 -4.750 1.00 0.00 C ATOM 1014 O GLY A 200 7.847 9.768 -4.709 1.00 0.00 O ATOM 0 H GLY A 200 7.286 10.782 -7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 200 7.102 12.623 -5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 200 5.858 11.575 -6.311 1.00 0.00 H new ATOM 1018 N SER A 201 6.191 10.981 -3.752 1.00 0.00 N ATOM 1019 CA SER A 201 6.251 10.415 -2.413 1.00 0.00 C ATOM 1020 C SER A 201 4.831 10.320 -1.831 1.00 0.00 C ATOM 1021 O SER A 201 3.888 10.880 -2.400 1.00 0.00 O ATOM 1022 CB SER A 201 7.195 11.318 -1.607 1.00 0.00 C ATOM 1023 OG SER A 201 6.744 12.669 -1.572 1.00 0.00 O ATOM 0 H SER A 201 5.427 11.647 -3.863 1.00 0.00 H new ATOM 0 HA SER A 201 6.640 9.397 -2.394 1.00 0.00 H new ATOM 0 HB2 SER A 201 7.278 10.938 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 201 8.193 11.281 -2.044 1.00 0.00 H new ATOM 0 HG SER A 201 7.371 13.210 -1.048 1.00 0.00 H new ATOM 1029 N ARG A 363 4.643 9.570 -0.739 1.00 0.00 N ATOM 1030 CA ARG A 363 3.305 9.301 -0.203 1.00 0.00 C ATOM 1031 C ARG A 363 2.727 10.556 0.455 1.00 0.00 C ATOM 1032 O ARG A 363 3.402 11.212 1.253 1.00 0.00 O ATOM 1033 CB ARG A 363 3.353 8.124 0.789 1.00 0.00 C ATOM 1034 CG ARG A 363 1.972 7.650 1.289 1.00 0.00 C ATOM 1035 CD ARG A 363 1.006 7.258 0.157 1.00 0.00 C ATOM 1036 NE ARG A 363 0.017 6.258 0.605 1.00 0.00 N ATOM 1037 CZ ARG A 363 -1.314 6.393 0.696 1.00 0.00 C ATOM 1038 NH1 ARG A 363 -1.914 7.573 0.553 1.00 0.00 N ATOM 1039 NH2 ARG A 363 -2.049 5.314 0.932 1.00 0.00 N ATOM 0 H ARG A 363 5.401 9.139 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 363 2.647 9.023 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 363 3.860 7.285 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 363 3.956 8.415 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 363 2.109 6.795 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 363 1.519 8.443 1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 363 0.488 8.147 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 363 1.573 6.858 -0.683 1.00 0.00 H new ATOM 0 HE ARG A 363 0.393 5.351 0.880 1.00 0.00 H new ATOM 0 HH11 ARG A 363 -1.359 8.408 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 363 -2.929 7.641 0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 363 -1.600 4.405 1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 363 -3.063 5.394 1.005 1.00 0.00 H new ATOM 1053 N ALA A 364 1.454 10.838 0.167 1.00 0.00 N ATOM 1054 CA ALA A 364 0.623 11.840 0.824 1.00 0.00 C ATOM 1055 C ALA A 364 -0.838 11.374 0.711 1.00 0.00 C ATOM 1056 O ALA A 364 -1.094 10.264 0.237 1.00 0.00 O ATOM 1057 CB ALA A 364 0.857 13.205 0.156 1.00 0.00 C ATOM 0 H ALA A 364 0.952 10.345 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 364 0.874 11.953 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 364 0.238 13.959 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 364 1.907 13.481 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 364 0.591 13.144 -0.899 1.00 0.00 H new ATOM 1063 N HIS A 365 -1.799 12.219 1.086 1.00 0.00 N ATOM 1064 CA HIS A 365 -3.238 12.002 0.918 1.00 0.00 C ATOM 1065 C HIS A 365 -3.941 13.367 0.868 1.00 0.00 C ATOM 1066 O HIS A 365 -3.275 14.402 0.965 1.00 0.00 O ATOM 1067 CB HIS A 365 -3.781 11.137 2.071 1.00 0.00 C ATOM 1068 CG HIS A 365 -3.800 11.839 3.414 1.00 0.00 C ATOM 1069 ND1 HIS A 365 -2.677 12.153 4.191 1.00 0.00 N ATOM 1070 CD2 HIS A 365 -4.922 12.270 4.062 1.00 0.00 C ATOM 1071 CE1 HIS A 365 -3.156 12.764 5.292 1.00 0.00 C ATOM 1072 NE2 HIS A 365 -4.498 12.848 5.239 1.00 0.00 N ATOM 0 H HIS A 365 -1.588 13.111 1.534 1.00 0.00 H new ATOM 0 HA HIS A 365 -3.431 11.469 -0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 365 -4.794 10.817 1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 365 -3.173 10.236 2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 365 -5.942 12.176 3.719 1.00 0.00 H new ATOM 0 HE1 HIS A 365 -2.548 13.135 6.104 1.00 0.00 H new ATOM 0 HE2 HIS A 365 -5.099 13.268 5.949 1.00 0.00 H new ATOM 1080 N SER A 366 -5.270 13.387 0.744 1.00 0.00 N ATOM 1081 CA SER A 366 -6.092 14.590 0.865 1.00 0.00 C ATOM 1082 C SER A 366 -7.419 14.250 1.563 1.00 0.00 C ATOM 1083 O SER A 366 -7.691 13.081 1.866 1.00 0.00 O ATOM 1084 CB SER A 366 -6.298 15.221 -0.520 1.00 0.00 C ATOM 1085 OG SER A 366 -6.921 14.312 -1.412 1.00 0.00 O ATOM 0 H SER A 366 -5.816 12.547 0.552 1.00 0.00 H new ATOM 0 HA SER A 366 -5.584 15.329 1.484 1.00 0.00 H new ATOM 0 HB2 SER A 366 -6.909 16.118 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 366 -5.336 15.532 -0.927 1.00 0.00 H new ATOM 0 HG SER A 366 -7.041 14.741 -2.285 1.00 0.00 H new ATOM 1091 N SER A 367 -8.246 15.267 1.823 1.00 0.00 N ATOM 1092 CA SER A 367 -9.438 15.173 2.659 1.00 0.00 C ATOM 1093 C SER A 367 -10.742 15.443 1.889 1.00 0.00 C ATOM 1094 O SER A 367 -11.821 15.328 2.477 1.00 0.00 O ATOM 1095 CB SER A 367 -9.253 16.122 3.854 1.00 0.00 C ATOM 1096 OG SER A 367 -8.737 17.389 3.442 1.00 0.00 O ATOM 0 H SER A 367 -8.097 16.203 1.445 1.00 0.00 H new ATOM 0 HA SER A 367 -9.545 14.148 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 367 -10.209 16.264 4.358 1.00 0.00 H new ATOM 0 HB3 SER A 367 -8.575 15.670 4.577 1.00 0.00 H new ATOM 0 HG SER A 367 -8.633 17.970 4.224 1.00 0.00 H new ATOM 1102 N HIS A 368 -10.690 15.741 0.581 1.00 0.00 N ATOM 1103 CA HIS A 368 -11.883 15.950 -0.254 1.00 0.00 C ATOM 1104 C HIS A 368 -12.475 14.598 -0.699 1.00 0.00 C ATOM 1105 O HIS A 368 -12.762 14.366 -1.876 1.00 0.00 O ATOM 1106 CB HIS A 368 -11.585 16.907 -1.422 1.00 0.00 C ATOM 1107 CG HIS A 368 -12.843 17.586 -1.929 1.00 0.00 C ATOM 1108 ND1 HIS A 368 -13.390 18.765 -1.402 1.00 0.00 N ATOM 1109 CD2 HIS A 368 -13.631 17.162 -2.961 1.00 0.00 C ATOM 1110 CE1 HIS A 368 -14.492 19.013 -2.131 1.00 0.00 C ATOM 1111 NE2 HIS A 368 -14.656 18.072 -3.077 1.00 0.00 N ATOM 0 H HIS A 368 -9.813 15.844 0.070 1.00 0.00 H new ATOM 0 HA HIS A 368 -12.652 16.442 0.341 1.00 0.00 H new ATOM 0 HB2 HIS A 368 -10.869 17.663 -1.099 1.00 0.00 H new ATOM 0 HB3 HIS A 368 -11.118 16.353 -2.236 1.00 0.00 H new ATOM 0 HD2 HIS A 368 -13.479 16.282 -3.569 1.00 0.00 H new ATOM 0 HE1 HIS A 368 -15.154 19.852 -1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 368 -15.410 18.039 -3.763 1.00 0.00 H new ATOM 1119 N LEU A 369 -12.570 13.655 0.242 1.00 0.00 N ATOM 1120 CA LEU A 369 -13.239 12.378 0.046 1.00 0.00 C ATOM 1121 C LEU A 369 -14.748 12.645 0.006 1.00 0.00 C ATOM 1122 O LEU A 369 -15.252 13.504 0.737 1.00 0.00 O ATOM 1123 CB LEU A 369 -12.911 11.401 1.195 1.00 0.00 C ATOM 1124 CG LEU A 369 -11.414 11.212 1.513 1.00 0.00 C ATOM 1125 CD1 LEU A 369 -11.249 10.210 2.665 1.00 0.00 C ATOM 1126 CD2 LEU A 369 -10.604 10.722 0.307 1.00 0.00 C ATOM 0 H LEU A 369 -12.175 13.765 1.176 1.00 0.00 H new ATOM 0 HA LEU A 369 -12.899 11.922 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 369 -13.413 11.751 2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 369 -13.336 10.428 0.951 1.00 0.00 H new ATOM 0 HG LEU A 369 -11.028 12.192 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 369 -10.189 10.080 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 369 -11.760 10.587 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 369 -11.680 9.251 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 369 -9.558 10.608 0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 369 -10.995 9.761 -0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 369 -10.682 11.448 -0.503 1.00 0.00 H new HETATM 1138 N M2L A 370 -15.472 11.886 -0.819 1.00 0.00 N HETATM 1139 CA M2L A 370 -16.933 11.870 -0.830 1.00 0.00 C HETATM 1140 CB M2L A 370 -17.470 11.286 -2.155 1.00 0.00 C HETATM 1141 SG M2L A 370 -16.379 10.577 -2.988 1.00 0.00 S HETATM 1142 CD M2L A 370 -16.821 9.361 -3.814 1.00 0.00 C HETATM 1143 CE M2L A 370 -17.954 9.699 -4.789 1.00 0.00 C HETATM 1144 NZ M2L A 370 -17.570 10.823 -5.693 1.00 0.00 N HETATM 1145 CM1 M2L A 370 -18.727 11.682 -6.079 1.00 0.00 C HETATM 1146 CM2 M2L A 370 -16.745 10.427 -6.875 1.00 0.00 C HETATM 1147 C M2L A 370 -17.429 11.062 0.379 1.00 0.00 C HETATM 1148 O M2L A 370 -16.710 10.210 0.902 1.00 0.00 O HETATM 0 HM2B M2L A 370 -15.817 9.969 -6.534 1.00 0.00 H new HETATM 0 HM2A M2L A 370 -17.300 9.712 -7.483 1.00 0.00 H new HETATM 0 HM1B M2L A 370 -19.471 11.078 -6.599 1.00 0.00 H new HETATM 0 HM1A M2L A 370 -19.173 12.115 -5.184 1.00 0.00 H new HETATM 0 HN M2L A 370 -14.952 11.538 -1.624 1.00 0.00 H new HETATM 0 HM2 M2L A 370 -16.516 11.310 -7.471 1.00 0.00 H new HETATM 0 HM1 M2L A 370 -18.384 12.481 -6.736 1.00 0.00 H new HETATM 0 HEA M2L A 370 -18.201 8.819 -5.383 1.00 0.00 H new HETATM 0 HE M2L A 370 -18.850 9.968 -4.230 1.00 0.00 H new HETATM 0 HDA M2L A 370 -15.968 8.975 -4.372 1.00 0.00 H new HETATM 0 HD M2L A 370 -17.148 8.568 -3.142 1.00 0.00 H new HETATM 0 HBA M2L A 370 -18.270 10.578 -1.936 1.00 0.00 H new HETATM 0 HB M2L A 370 -17.908 12.089 -2.748 1.00 0.00 H new HETATM 0 HA M2L A 370 -17.309 12.890 -0.757 1.00 0.00 H new ATOM 1164 N SER A 371 -18.672 11.323 0.805 1.00 0.00 N ATOM 1165 CA SER A 371 -19.258 10.782 2.035 1.00 0.00 C ATOM 1166 C SER A 371 -19.382 9.249 2.026 1.00 0.00 C ATOM 1167 O SER A 371 -19.306 8.613 3.079 1.00 0.00 O ATOM 1168 CB SER A 371 -20.637 11.426 2.251 1.00 0.00 C ATOM 1169 OG SER A 371 -20.575 12.841 2.089 1.00 0.00 O ATOM 0 H SER A 371 -19.311 11.930 0.291 1.00 0.00 H new ATOM 0 HA SER A 371 -18.584 11.025 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 371 -21.352 11.007 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 371 -21.001 11.187 3.250 1.00 0.00 H new ATOM 0 HG SER A 371 -21.465 13.226 2.230 1.00 0.00 H new ATOM 1175 N LYS A 372 -19.515 8.637 0.840 1.00 0.00 N ATOM 1176 CA LYS A 372 -19.647 7.179 0.699 1.00 0.00 C ATOM 1177 C LYS A 372 -18.395 6.431 1.176 1.00 0.00 C ATOM 1178 O LYS A 372 -18.491 5.265 1.558 1.00 0.00 O ATOM 1179 CB LYS A 372 -19.970 6.806 -0.763 1.00 0.00 C ATOM 1180 CG LYS A 372 -21.256 7.438 -1.331 1.00 0.00 C ATOM 1181 CD LYS A 372 -22.548 7.139 -0.553 1.00 0.00 C ATOM 1182 CE LYS A 372 -22.867 5.637 -0.492 1.00 0.00 C ATOM 1183 NZ LYS A 372 -24.166 5.366 0.180 1.00 0.00 N ATOM 0 H LYS A 372 -19.534 9.138 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 372 -20.472 6.868 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 372 -19.130 7.103 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 372 -20.054 5.722 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 372 -21.120 8.519 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 372 -21.384 7.095 -2.357 1.00 0.00 H new ATOM 0 HD2 LYS A 372 -22.456 7.528 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 372 -23.380 7.665 -1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 372 -22.891 5.231 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 372 -22.069 5.119 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 372 -24.340 4.341 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 372 -24.136 5.730 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 372 -24.932 5.838 -0.342 1.00 0.00 H new ATOM 1197 N LYS A 373 -17.222 7.078 1.155 1.00 0.00 N ATOM 1198 CA LYS A 373 -15.973 6.499 1.666 1.00 0.00 C ATOM 1199 C LYS A 373 -15.982 6.346 3.198 1.00 0.00 C ATOM 1200 O LYS A 373 -15.158 5.587 3.716 1.00 0.00 O ATOM 1201 CB LYS A 373 -14.771 7.350 1.219 1.00 0.00 C ATOM 1202 CG LYS A 373 -14.565 7.482 -0.304 1.00 0.00 C ATOM 1203 CD LYS A 373 -14.197 6.171 -1.031 1.00 0.00 C ATOM 1204 CE LYS A 373 -15.416 5.342 -1.485 1.00 0.00 C ATOM 1205 NZ LYS A 373 -15.020 4.025 -2.067 1.00 0.00 N ATOM 0 H LYS A 373 -17.113 8.021 0.782 1.00 0.00 H new ATOM 0 HA LYS A 373 -15.884 5.498 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 373 -14.883 8.350 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 373 -13.867 6.922 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 373 -15.479 7.880 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 373 -13.778 8.214 -0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 373 -13.588 6.410 -1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 373 -13.582 5.561 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 373 -16.077 5.177 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 373 -15.983 5.908 -2.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 373 -15.654 3.283 -1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 373 -15.088 4.069 -3.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 373 -14.041 3.805 -1.794 1.00 0.00 H new ATOM 1219 N GLY A 374 -16.900 7.009 3.914 1.00 0.00 N ATOM 1220 CA GLY A 374 -16.933 7.022 5.368 1.00 0.00 C ATOM 1221 C GLY A 374 -15.633 7.602 5.917 1.00 0.00 C ATOM 1222 O GLY A 374 -15.074 7.014 6.869 1.00 0.00 O ATOM 1223 OXT GLY A 374 -15.182 8.651 5.403 1.00 0.00 O ATOM 0 H GLY A 374 -17.647 7.556 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 374 -17.780 7.614 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 374 -17.076 6.009 5.745 1.00 0.00 H new TER 1227 GLY A 374