USER MOD reduce.3.24.130724 H: found=0, std=0, add=1035, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -1.13 K(o=-0.42,f=-5.4!) USER MOD Set 1.2: A 117 TYR OH : rot 120:sc= 0.711 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 159:sc= 0.949 (180deg=0) USER MOD Set 2.2: A 52 SER OG : rot -36:sc= 0.619! USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 14 TYR OH : rot 180:sc= 0.202 USER MOD Set 4.2: A 18 MET CE :methyl 180:sc= -1.41 (180deg=-1.41) USER MOD Single : A 4 SER OG : rot -94:sc= -0.885! USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0346 (180deg=-0.742) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0127 USER MOD Single : A 13 ASN : amide:sc= 0.552 K(o=0.55,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 177:sc= 0 (180deg=-0.00638) USER MOD Single : A 24 ASN : amide:sc= 0.346 K(o=0.35,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.119) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.841 F(o=-1.4,f=-0.84) USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0811 (180deg=-0.581) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.043) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.43! C(o=-4!,f=-1.4!) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= -1.43 (180deg=-3.06!) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00618 USER MOD Single : A 53 SER OG : rot 160:sc= -0.898 USER MOD Single : A 57 ASN : amide:sc= -0.0198 K(o=-0.02,f=-2!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0697 USER MOD Single : A 69 ASN :FLIP amide:sc= -1.1 F(o=-5.8!,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0777 K(o=-0.078,f=-0.82!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0435 USER MOD Single : A 81 THR OG1 : rot -98:sc= -0.886! USER MOD Single : A 83 SER OG : rot 27:sc= 0.0798 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -171:sc= -0.0148 (180deg=-0.148) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -0.717 (180deg=-1.33!) USER MOD Single : A 96 THR OG1 : rot 40:sc= -0.737! USER MOD Single : A 98 ASN : amide:sc= -2.12 K(o=-2.1,f=-8.4!) USER MOD Single : A 100 ASN : amide:sc= -2.37! C(o=-2.4!,f=-8.1!) USER MOD Single : A 103 ASN :FLIP amide:sc= 0 F(o=-2.7!,f=0) USER MOD Single : A 104 THR OG1 : rot 58:sc= -0.349! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= -2.65 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 176:sc= -2.18! (180deg=-2.4!) USER MOD Single : A 130 LYS NZ :NH3+ -111:sc= 0.494 (180deg=-2.68!) USER MOD ----------------------------------------------------------------- ATOM 33 N ASP A 3 114.519 7.558 -9.896 1.00 0.00 N ATOM 34 CA ASP A 3 113.760 8.665 -10.544 1.00 0.00 C ATOM 35 C ASP A 3 113.121 8.157 -11.838 1.00 0.00 C ATOM 36 O ASP A 3 113.752 8.119 -12.876 1.00 0.00 O ATOM 37 CB ASP A 3 114.713 9.817 -10.865 1.00 0.00 C ATOM 38 CG ASP A 3 115.668 10.034 -9.689 1.00 0.00 C ATOM 39 OD1 ASP A 3 115.183 10.218 -8.585 1.00 0.00 O ATOM 40 OD2 ASP A 3 116.866 10.012 -9.914 1.00 0.00 O ATOM 0 HA ASP A 3 112.981 9.015 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.278 9.594 -11.770 1.00 0.00 H new ATOM 0 HB3 ASP A 3 114.147 10.728 -11.060 1.00 0.00 H new ATOM 45 N SER A 4 111.873 7.768 -11.787 1.00 0.00 N ATOM 46 CA SER A 4 111.198 7.263 -13.019 1.00 0.00 C ATOM 47 C SER A 4 109.982 6.414 -12.633 1.00 0.00 C ATOM 48 O SER A 4 109.575 6.380 -11.487 1.00 0.00 O ATOM 49 CB SER A 4 112.181 6.411 -13.826 1.00 0.00 C ATOM 50 OG SER A 4 111.475 5.366 -14.481 1.00 0.00 O ATOM 0 H SER A 4 111.294 7.778 -10.948 1.00 0.00 H new ATOM 0 HA SER A 4 110.868 8.109 -13.622 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.699 7.030 -14.559 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.942 5.993 -13.167 1.00 0.00 H new ATOM 0 HG SER A 4 111.493 4.560 -13.924 1.00 0.00 H new ATOM 56 N THR A 5 109.402 5.728 -13.582 1.00 0.00 N ATOM 57 CA THR A 5 108.214 4.880 -13.276 1.00 0.00 C ATOM 58 C THR A 5 108.670 3.439 -13.039 1.00 0.00 C ATOM 59 O THR A 5 109.664 2.995 -13.579 1.00 0.00 O ATOM 60 CB THR A 5 107.238 4.921 -14.454 1.00 0.00 C ATOM 61 OG1 THR A 5 106.739 6.242 -14.608 1.00 0.00 O ATOM 62 CG2 THR A 5 106.076 3.960 -14.191 1.00 0.00 C ATOM 0 H THR A 5 109.701 5.719 -14.557 1.00 0.00 H new ATOM 0 HA THR A 5 107.716 5.257 -12.383 1.00 0.00 H new ATOM 0 HB THR A 5 107.755 4.620 -15.365 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.115 6.270 -15.363 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.382 3.990 -15.031 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.461 2.947 -14.075 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.557 4.258 -13.280 1.00 0.00 H new ATOM 70 N TRP A 6 107.960 2.708 -12.225 1.00 0.00 N ATOM 71 CA TRP A 6 108.361 1.301 -11.943 1.00 0.00 C ATOM 72 C TRP A 6 107.120 0.463 -11.626 1.00 0.00 C ATOM 73 O TRP A 6 106.037 0.986 -11.443 1.00 0.00 O ATOM 74 CB TRP A 6 109.316 1.276 -10.754 1.00 0.00 C ATOM 75 CG TRP A 6 110.345 2.347 -10.925 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.139 3.666 -10.706 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.734 2.215 -11.341 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.316 4.350 -10.959 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.328 3.497 -11.354 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.528 1.113 -11.702 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.664 3.681 -11.713 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.871 1.291 -12.064 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.439 2.574 -12.070 1.00 0.00 C ATOM 0 H TRP A 6 107.119 3.024 -11.743 1.00 0.00 H new ATOM 0 HA TRP A 6 108.859 0.883 -12.818 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.765 1.430 -9.827 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.798 0.301 -10.680 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.209 4.112 -10.386 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.423 5.360 -10.865 1.00 0.00 H new ATOM 0 HE3 TRP A 6 112.100 0.121 -11.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.096 4.671 -11.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.471 0.436 -12.340 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.474 2.706 -12.350 1.00 0.00 H new ATOM 94 N LYS A 7 107.263 -0.835 -11.568 1.00 0.00 N ATOM 95 CA LYS A 7 106.086 -1.698 -11.273 1.00 0.00 C ATOM 96 C LYS A 7 106.552 -2.985 -10.596 1.00 0.00 C ATOM 97 O LYS A 7 107.393 -3.695 -11.113 1.00 0.00 O ATOM 98 CB LYS A 7 105.370 -2.040 -12.584 1.00 0.00 C ATOM 99 CG LYS A 7 106.085 -3.203 -13.280 1.00 0.00 C ATOM 100 CD LYS A 7 105.596 -3.311 -14.725 1.00 0.00 C ATOM 101 CE LYS A 7 106.079 -4.630 -15.331 1.00 0.00 C ATOM 102 NZ LYS A 7 107.518 -4.831 -15.001 1.00 0.00 N ATOM 0 H LYS A 7 108.142 -1.332 -11.712 1.00 0.00 H new ATOM 0 HA LYS A 7 105.402 -1.169 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.333 -2.307 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.354 -1.168 -13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 7 107.163 -3.045 -13.261 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.890 -4.134 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.508 -3.261 -14.756 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.970 -2.471 -15.310 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.487 -5.459 -14.943 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.941 -4.618 -16.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.942 -5.489 -15.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 108.015 -3.918 -15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 107.603 -5.226 -14.043 1.00 0.00 H new ATOM 116 N VAL A 8 106.017 -3.298 -9.447 1.00 0.00 N ATOM 117 CA VAL A 8 106.438 -4.543 -8.756 1.00 0.00 C ATOM 118 C VAL A 8 106.629 -5.653 -9.786 1.00 0.00 C ATOM 119 O VAL A 8 105.682 -6.193 -10.323 1.00 0.00 O ATOM 120 CB VAL A 8 105.376 -4.948 -7.728 1.00 0.00 C ATOM 121 CG1 VAL A 8 104.001 -4.472 -8.195 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.364 -6.472 -7.565 1.00 0.00 C ATOM 0 H VAL A 8 105.310 -2.746 -8.961 1.00 0.00 H new ATOM 0 HA VAL A 8 107.381 -4.373 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 8 105.613 -4.487 -6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.248 -4.761 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 8 104.008 -3.387 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.766 -4.928 -9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.607 -6.754 -6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.134 -6.939 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.343 -6.809 -7.223 1.00 0.00 H new ATOM 132 N ASP A 9 107.855 -5.999 -10.059 1.00 0.00 N ATOM 133 CA ASP A 9 108.124 -7.077 -11.042 1.00 0.00 C ATOM 134 C ASP A 9 108.297 -8.387 -10.283 1.00 0.00 C ATOM 135 O ASP A 9 107.996 -9.453 -10.784 1.00 0.00 O ATOM 136 CB ASP A 9 109.401 -6.758 -11.821 1.00 0.00 C ATOM 137 CG ASP A 9 109.653 -7.850 -12.862 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.407 -9.004 -12.552 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.087 -7.514 -13.951 1.00 0.00 O ATOM 0 H ASP A 9 108.684 -5.578 -9.640 1.00 0.00 H new ATOM 0 HA ASP A 9 107.295 -7.159 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.308 -5.789 -12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.248 -6.690 -11.138 1.00 0.00 H new ATOM 144 N ARG A 10 108.771 -8.315 -9.068 1.00 0.00 N ATOM 145 CA ARG A 10 108.950 -9.567 -8.275 1.00 0.00 C ATOM 146 C ARG A 10 108.726 -9.278 -6.789 1.00 0.00 C ATOM 147 O ARG A 10 108.753 -8.145 -6.355 1.00 0.00 O ATOM 148 CB ARG A 10 110.361 -10.120 -8.489 1.00 0.00 C ATOM 149 CG ARG A 10 110.749 -9.983 -9.964 1.00 0.00 C ATOM 150 CD ARG A 10 112.124 -10.619 -10.200 1.00 0.00 C ATOM 151 NE ARG A 10 113.038 -9.611 -10.806 1.00 0.00 N ATOM 152 CZ ARG A 10 112.985 -9.370 -12.088 1.00 0.00 C ATOM 153 NH1 ARG A 10 113.787 -8.489 -12.620 1.00 0.00 N ATOM 154 NH2 ARG A 10 112.131 -10.012 -12.838 1.00 0.00 N ATOM 0 H ARG A 10 109.040 -7.453 -8.593 1.00 0.00 H new ATOM 0 HA ARG A 10 108.222 -10.307 -8.608 1.00 0.00 H new ATOM 0 HB2 ARG A 10 111.072 -9.580 -7.864 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.402 -11.167 -8.188 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.002 -10.467 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.771 -8.931 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 10 112.536 -10.980 -9.258 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.029 -11.483 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 10 113.705 -9.109 -10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.455 -7.989 -12.034 1.00 0.00 H new ATOM 0 HH12 ARG A 10 113.746 -8.301 -13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 10 111.505 -10.702 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 10 112.090 -9.824 -13.840 1.00 0.00 H new ATOM 168 N SER A 11 108.501 -10.300 -6.007 1.00 0.00 N ATOM 169 CA SER A 11 108.269 -10.095 -4.546 1.00 0.00 C ATOM 170 C SER A 11 108.418 -11.437 -3.821 1.00 0.00 C ATOM 171 O SER A 11 108.652 -12.458 -4.435 1.00 0.00 O ATOM 172 CB SER A 11 106.857 -9.550 -4.327 1.00 0.00 C ATOM 173 OG SER A 11 106.005 -10.608 -3.907 1.00 0.00 O ATOM 0 H SER A 11 108.468 -11.271 -6.317 1.00 0.00 H new ATOM 0 HA SER A 11 108.996 -9.384 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.872 -8.760 -3.576 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.479 -9.107 -5.248 1.00 0.00 H new ATOM 0 HG SER A 11 105.099 -10.262 -3.764 1.00 0.00 H new ATOM 179 N GLU A 12 108.286 -11.448 -2.520 1.00 0.00 N ATOM 180 CA GLU A 12 108.424 -12.732 -1.778 1.00 0.00 C ATOM 181 C GLU A 12 107.644 -12.664 -0.461 1.00 0.00 C ATOM 182 O GLU A 12 107.364 -11.598 0.054 1.00 0.00 O ATOM 183 CB GLU A 12 109.909 -13.002 -1.496 1.00 0.00 C ATOM 184 CG GLU A 12 110.272 -12.535 -0.083 1.00 0.00 C ATOM 185 CD GLU A 12 111.794 -12.458 0.053 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.473 -12.831 -0.888 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.254 -12.027 1.098 1.00 0.00 O ATOM 0 H GLU A 12 108.090 -10.629 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 12 108.018 -13.543 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.119 -14.067 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.526 -12.482 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.829 -11.559 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.865 -13.225 0.656 1.00 0.00 H new ATOM 194 N ASN A 13 107.301 -13.802 0.086 1.00 0.00 N ATOM 195 CA ASN A 13 106.543 -13.829 1.371 1.00 0.00 C ATOM 196 C ASN A 13 105.221 -13.074 1.207 1.00 0.00 C ATOM 197 O ASN A 13 104.315 -13.530 0.538 1.00 0.00 O ATOM 198 CB ASN A 13 107.381 -13.176 2.476 1.00 0.00 C ATOM 199 CG ASN A 13 108.304 -14.222 3.103 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.642 -15.206 2.474 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.730 -14.051 4.324 1.00 0.00 N ATOM 0 H ASN A 13 107.515 -14.719 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 13 106.332 -14.863 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.970 -12.356 2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.728 -12.749 3.237 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.346 -14.743 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.447 -13.226 4.852 1.00 0.00 H new ATOM 208 N TYR A 14 105.102 -11.925 1.813 1.00 0.00 N ATOM 209 CA TYR A 14 103.840 -11.145 1.692 1.00 0.00 C ATOM 210 C TYR A 14 102.754 -11.789 2.550 1.00 0.00 C ATOM 211 O TYR A 14 102.152 -11.145 3.387 1.00 0.00 O ATOM 212 CB TYR A 14 103.399 -11.118 0.223 1.00 0.00 C ATOM 213 CG TYR A 14 102.859 -9.752 -0.132 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.544 -8.597 0.269 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.673 -9.641 -0.867 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.043 -7.334 -0.067 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.171 -8.378 -1.202 1.00 0.00 C ATOM 218 CZ TYR A 14 101.855 -7.225 -0.802 1.00 0.00 C ATOM 219 OH TYR A 14 101.361 -5.979 -1.133 1.00 0.00 O ATOM 0 H TYR A 14 105.826 -11.493 2.387 1.00 0.00 H new ATOM 0 HA TYR A 14 104.006 -10.125 2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.242 -11.363 -0.423 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.635 -11.876 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.458 -8.681 0.837 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.145 -10.531 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.572 -6.444 0.240 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.256 -8.294 -1.769 1.00 0.00 H new ATOM 0 HH TYR A 14 100.531 -6.081 -1.644 1.00 0.00 H new ATOM 229 N ASP A 15 102.498 -13.051 2.361 1.00 0.00 N ATOM 230 CA ASP A 15 101.451 -13.710 3.184 1.00 0.00 C ATOM 231 C ASP A 15 101.856 -13.617 4.650 1.00 0.00 C ATOM 232 O ASP A 15 101.050 -13.324 5.511 1.00 0.00 O ATOM 233 CB ASP A 15 101.313 -15.178 2.773 1.00 0.00 C ATOM 234 CG ASP A 15 101.459 -15.299 1.255 1.00 0.00 C ATOM 235 OD1 ASP A 15 102.318 -16.048 0.821 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.710 -14.641 0.553 1.00 0.00 O ATOM 0 H ASP A 15 102.964 -13.650 1.679 1.00 0.00 H new ATOM 0 HA ASP A 15 100.492 -13.215 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.074 -15.779 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.344 -15.565 3.088 1.00 0.00 H new ATOM 241 N LYS A 16 103.105 -13.842 4.938 1.00 0.00 N ATOM 242 CA LYS A 16 103.565 -13.742 6.347 1.00 0.00 C ATOM 243 C LYS A 16 103.396 -12.294 6.798 1.00 0.00 C ATOM 244 O LYS A 16 103.113 -12.016 7.947 1.00 0.00 O ATOM 245 CB LYS A 16 105.039 -14.150 6.438 1.00 0.00 C ATOM 246 CG LYS A 16 105.343 -15.201 5.369 1.00 0.00 C ATOM 247 CD LYS A 16 106.584 -16.000 5.775 1.00 0.00 C ATOM 248 CE LYS A 16 106.171 -17.167 6.673 1.00 0.00 C ATOM 249 NZ LYS A 16 105.738 -18.316 5.828 1.00 0.00 N ATOM 0 H LYS A 16 103.826 -14.090 4.260 1.00 0.00 H new ATOM 0 HA LYS A 16 102.982 -14.405 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.678 -13.278 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.257 -14.550 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.491 -15.870 5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.508 -14.718 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 16 107.095 -16.374 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 107.288 -15.355 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.005 -17.463 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 16 105.360 -16.862 7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 105.457 -19.110 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.930 -18.029 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 106.524 -18.612 5.215 1.00 0.00 H new ATOM 263 N PHE A 17 103.545 -11.370 5.890 1.00 0.00 N ATOM 264 CA PHE A 17 103.371 -9.938 6.241 1.00 0.00 C ATOM 265 C PHE A 17 101.890 -9.673 6.446 1.00 0.00 C ATOM 266 O PHE A 17 101.435 -9.340 7.524 1.00 0.00 O ATOM 267 CB PHE A 17 103.863 -9.089 5.074 1.00 0.00 C ATOM 268 CG PHE A 17 104.278 -7.727 5.566 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.325 -7.611 6.479 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.619 -6.582 5.101 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.722 -6.347 6.932 1.00 0.00 C ATOM 272 CE2 PHE A 17 104.013 -5.318 5.554 1.00 0.00 C ATOM 273 CZ PHE A 17 105.066 -5.201 6.469 1.00 0.00 C ATOM 0 H PHE A 17 103.781 -11.549 4.914 1.00 0.00 H new ATOM 0 HA PHE A 17 103.929 -9.695 7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 17 104.705 -9.580 4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.075 -8.990 4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.830 -8.496 6.837 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.808 -6.674 4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 17 106.534 -6.257 7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 17 103.505 -4.434 5.198 1.00 0.00 H new ATOM 0 HZ PHE A 17 105.372 -4.226 6.818 1.00 0.00 H new ATOM 283 N MET A 18 101.138 -9.826 5.400 1.00 0.00 N ATOM 284 CA MET A 18 99.671 -9.594 5.491 1.00 0.00 C ATOM 285 C MET A 18 99.071 -10.510 6.562 1.00 0.00 C ATOM 286 O MET A 18 98.003 -10.254 7.079 1.00 0.00 O ATOM 287 CB MET A 18 99.020 -9.896 4.139 1.00 0.00 C ATOM 288 CG MET A 18 99.081 -8.650 3.253 1.00 0.00 C ATOM 289 SD MET A 18 100.802 -8.115 3.081 1.00 0.00 S ATOM 290 CE MET A 18 100.487 -6.665 2.047 1.00 0.00 C ATOM 0 H MET A 18 101.475 -10.104 4.478 1.00 0.00 H new ATOM 0 HA MET A 18 99.486 -8.554 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.534 -10.726 3.653 1.00 0.00 H new ATOM 0 HB3 MET A 18 97.984 -10.203 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 18 98.657 -8.867 2.273 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.482 -7.851 3.690 1.00 0.00 H new ATOM 0 HE1 MET A 18 101.431 -6.172 1.815 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.003 -6.976 1.121 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.837 -5.972 2.581 1.00 0.00 H new ATOM 300 N GLU A 19 99.748 -11.575 6.904 1.00 0.00 N ATOM 301 CA GLU A 19 99.203 -12.490 7.943 1.00 0.00 C ATOM 302 C GLU A 19 99.476 -11.907 9.328 1.00 0.00 C ATOM 303 O GLU A 19 98.671 -12.021 10.230 1.00 0.00 O ATOM 304 CB GLU A 19 99.874 -13.860 7.822 1.00 0.00 C ATOM 305 CG GLU A 19 99.524 -14.710 9.044 1.00 0.00 C ATOM 306 CD GLU A 19 100.488 -14.385 10.187 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.041 -13.808 11.165 1.00 0.00 O ATOM 308 OE2 GLU A 19 101.656 -14.716 10.063 1.00 0.00 O ATOM 0 H GLU A 19 100.649 -11.847 6.510 1.00 0.00 H new ATOM 0 HA GLU A 19 98.128 -12.601 7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.543 -14.360 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.955 -13.742 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.497 -14.515 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 19 99.585 -15.769 8.793 1.00 0.00 H new ATOM 315 N LYS A 20 100.603 -11.278 9.501 1.00 0.00 N ATOM 316 CA LYS A 20 100.923 -10.684 10.827 1.00 0.00 C ATOM 317 C LYS A 20 99.968 -9.525 11.103 1.00 0.00 C ATOM 318 O LYS A 20 99.484 -9.355 12.204 1.00 0.00 O ATOM 319 CB LYS A 20 102.365 -10.175 10.827 1.00 0.00 C ATOM 320 CG LYS A 20 103.326 -11.366 10.819 1.00 0.00 C ATOM 321 CD LYS A 20 103.560 -11.846 12.253 1.00 0.00 C ATOM 322 CE LYS A 20 104.633 -12.937 12.260 1.00 0.00 C ATOM 323 NZ LYS A 20 104.435 -13.821 13.444 1.00 0.00 N ATOM 0 H LYS A 20 101.316 -11.149 8.783 1.00 0.00 H new ATOM 0 HA LYS A 20 100.811 -11.441 11.603 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.540 -9.547 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.543 -9.556 11.706 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.913 -12.175 10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.273 -11.079 10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.872 -11.011 12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.632 -12.232 12.674 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.578 -13.522 11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.625 -12.486 12.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.164 -14.563 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 104.509 -13.257 14.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.494 -14.261 13.395 1.00 0.00 H new ATOM 337 N MET A 21 99.687 -8.730 10.109 1.00 0.00 N ATOM 338 CA MET A 21 98.757 -7.588 10.316 1.00 0.00 C ATOM 339 C MET A 21 97.348 -8.132 10.569 1.00 0.00 C ATOM 340 O MET A 21 96.433 -7.394 10.874 1.00 0.00 O ATOM 341 CB MET A 21 98.754 -6.697 9.067 1.00 0.00 C ATOM 342 CG MET A 21 99.236 -5.292 9.435 1.00 0.00 C ATOM 343 SD MET A 21 98.969 -4.176 8.034 1.00 0.00 S ATOM 344 CE MET A 21 100.593 -4.388 7.265 1.00 0.00 C ATOM 0 H MET A 21 100.061 -8.822 9.164 1.00 0.00 H new ATOM 0 HA MET A 21 99.080 -6.998 11.174 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.401 -7.125 8.301 1.00 0.00 H new ATOM 0 HB3 MET A 21 97.750 -6.649 8.645 1.00 0.00 H new ATOM 0 HG2 MET A 21 98.698 -4.929 10.311 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.293 -5.316 9.698 1.00 0.00 H new ATOM 0 HE1 MET A 21 100.633 -3.819 6.336 1.00 0.00 H new ATOM 0 HE2 MET A 21 101.367 -4.029 7.944 1.00 0.00 H new ATOM 0 HE3 MET A 21 100.759 -5.444 7.051 1.00 0.00 H new ATOM 354 N GLY A 22 97.168 -9.420 10.443 1.00 0.00 N ATOM 355 CA GLY A 22 95.818 -10.007 10.675 1.00 0.00 C ATOM 356 C GLY A 22 94.884 -9.599 9.536 1.00 0.00 C ATOM 357 O GLY A 22 93.697 -9.422 9.725 1.00 0.00 O ATOM 0 H GLY A 22 97.896 -10.089 10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.887 -11.093 10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.418 -9.662 11.629 1.00 0.00 H new ATOM 361 N VAL A 23 95.413 -9.446 8.353 1.00 0.00 N ATOM 362 CA VAL A 23 94.559 -9.047 7.200 1.00 0.00 C ATOM 363 C VAL A 23 93.682 -10.228 6.782 1.00 0.00 C ATOM 364 O VAL A 23 94.161 -11.323 6.563 1.00 0.00 O ATOM 365 CB VAL A 23 95.451 -8.632 6.029 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.590 -8.031 4.918 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.466 -7.590 6.507 1.00 0.00 C ATOM 0 H VAL A 23 96.400 -9.580 8.136 1.00 0.00 H new ATOM 0 HA VAL A 23 93.924 -8.210 7.488 1.00 0.00 H new ATOM 0 HB VAL A 23 95.978 -9.506 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.227 -7.736 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.866 -8.772 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.062 -7.157 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.103 -7.293 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 23 95.938 -6.716 6.889 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.081 -8.018 7.299 1.00 0.00 H new ATOM 377 N ASN A 24 92.398 -10.017 6.670 1.00 0.00 N ATOM 378 CA ASN A 24 91.491 -11.129 6.267 1.00 0.00 C ATOM 379 C ASN A 24 92.146 -11.936 5.144 1.00 0.00 C ATOM 380 O ASN A 24 92.990 -11.441 4.423 1.00 0.00 O ATOM 381 CB ASN A 24 90.164 -10.550 5.771 1.00 0.00 C ATOM 382 CG ASN A 24 89.485 -9.783 6.906 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.006 -8.796 7.387 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.333 -10.198 7.361 1.00 0.00 N ATOM 0 H ASN A 24 91.938 -9.122 6.840 1.00 0.00 H new ATOM 0 HA ASN A 24 91.307 -11.778 7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.339 -9.887 4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.514 -11.352 5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 24 87.872 -9.694 8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 24 87.894 -11.026 6.959 1.00 0.00 H new ATOM 391 N ILE A 25 91.767 -13.176 4.991 1.00 0.00 N ATOM 392 CA ILE A 25 92.374 -14.007 3.914 1.00 0.00 C ATOM 393 C ILE A 25 91.768 -13.612 2.575 1.00 0.00 C ATOM 394 O ILE A 25 92.129 -14.113 1.528 1.00 0.00 O ATOM 395 CB ILE A 25 92.105 -15.488 4.203 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.202 -16.037 5.123 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.083 -16.280 2.894 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.445 -16.391 4.302 1.00 0.00 C ATOM 0 H ILE A 25 91.066 -13.647 5.563 1.00 0.00 H new ATOM 0 HA ILE A 25 93.451 -13.844 3.879 1.00 0.00 H new ATOM 0 HB ILE A 25 91.137 -15.588 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.456 -15.297 5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.839 -16.920 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.891 -17.331 3.108 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.296 -15.892 2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.046 -16.181 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.219 -16.780 4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.188 -17.147 3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.814 -15.498 3.797 1.00 0.00 H new ATOM 410 N VAL A 26 90.858 -12.704 2.616 1.00 0.00 N ATOM 411 CA VAL A 26 90.202 -12.234 1.365 1.00 0.00 C ATOM 412 C VAL A 26 91.095 -11.197 0.690 1.00 0.00 C ATOM 413 O VAL A 26 91.534 -11.373 -0.429 1.00 0.00 O ATOM 414 CB VAL A 26 88.848 -11.606 1.701 1.00 0.00 C ATOM 415 CG1 VAL A 26 88.116 -11.248 0.406 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.009 -12.604 2.501 1.00 0.00 C ATOM 0 H VAL A 26 90.528 -12.254 3.470 1.00 0.00 H new ATOM 0 HA VAL A 26 90.049 -13.078 0.692 1.00 0.00 H new ATOM 0 HB VAL A 26 89.002 -10.703 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.151 -10.801 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.714 -10.538 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.961 -12.150 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.044 -12.158 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.855 -13.506 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.530 -12.860 3.424 1.00 0.00 H new ATOM 426 N LYS A 27 91.375 -10.122 1.367 1.00 0.00 N ATOM 427 CA LYS A 27 92.252 -9.079 0.770 1.00 0.00 C ATOM 428 C LYS A 27 93.634 -9.682 0.526 1.00 0.00 C ATOM 429 O LYS A 27 94.333 -9.310 -0.396 1.00 0.00 O ATOM 430 CB LYS A 27 92.371 -7.896 1.734 1.00 0.00 C ATOM 431 CG LYS A 27 91.208 -6.928 1.501 1.00 0.00 C ATOM 432 CD LYS A 27 89.890 -7.617 1.856 1.00 0.00 C ATOM 433 CE LYS A 27 88.739 -6.620 1.717 1.00 0.00 C ATOM 434 NZ LYS A 27 88.301 -6.562 0.293 1.00 0.00 N ATOM 0 H LYS A 27 91.035 -9.920 2.307 1.00 0.00 H new ATOM 0 HA LYS A 27 91.827 -8.730 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.362 -8.251 2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.321 -7.383 1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.338 -6.033 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.193 -6.605 0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 27 89.726 -8.472 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 27 89.931 -8.001 2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 27 87.906 -6.919 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.057 -5.632 2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.518 -5.884 0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.097 -6.257 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.982 -7.504 -0.011 1.00 0.00 H new ATOM 448 N ARG A 28 94.029 -10.618 1.345 1.00 0.00 N ATOM 449 CA ARG A 28 95.361 -11.257 1.164 1.00 0.00 C ATOM 450 C ARG A 28 95.343 -12.114 -0.103 1.00 0.00 C ATOM 451 O ARG A 28 96.266 -12.091 -0.891 1.00 0.00 O ATOM 452 CB ARG A 28 95.670 -12.143 2.375 1.00 0.00 C ATOM 453 CG ARG A 28 97.070 -12.753 2.226 1.00 0.00 C ATOM 454 CD ARG A 28 96.994 -14.272 2.403 1.00 0.00 C ATOM 455 NE ARG A 28 96.291 -14.874 1.236 1.00 0.00 N ATOM 456 CZ ARG A 28 96.454 -16.138 0.956 1.00 0.00 C ATOM 457 NH1 ARG A 28 95.839 -16.665 -0.067 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.234 -16.875 1.699 1.00 0.00 N ATOM 0 H ARG A 28 93.484 -10.968 2.133 1.00 0.00 H new ATOM 0 HA ARG A 28 96.127 -10.487 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.615 -11.555 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.925 -12.934 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.480 -12.512 1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.745 -12.324 2.967 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.997 -14.689 2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.465 -14.515 3.325 1.00 0.00 H new ATOM 0 HE ARG A 28 95.682 -14.298 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 28 95.230 -16.089 -0.648 1.00 0.00 H new ATOM 0 HH12 ARG A 28 95.967 -17.653 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 28 97.716 -16.463 2.498 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.362 -17.863 1.481 1.00 0.00 H new ATOM 472 N LYS A 29 94.297 -12.871 -0.304 1.00 0.00 N ATOM 473 CA LYS A 29 94.226 -13.725 -1.522 1.00 0.00 C ATOM 474 C LYS A 29 94.217 -12.838 -2.768 1.00 0.00 C ATOM 475 O LYS A 29 94.754 -13.193 -3.799 1.00 0.00 O ATOM 476 CB LYS A 29 92.946 -14.563 -1.483 1.00 0.00 C ATOM 477 CG LYS A 29 92.782 -15.307 -2.810 1.00 0.00 C ATOM 478 CD LYS A 29 91.728 -16.405 -2.654 1.00 0.00 C ATOM 479 CE LYS A 29 91.432 -17.026 -4.020 1.00 0.00 C ATOM 480 NZ LYS A 29 90.568 -16.103 -4.809 1.00 0.00 N ATOM 0 H LYS A 29 93.493 -12.934 0.320 1.00 0.00 H new ATOM 0 HA LYS A 29 95.092 -14.386 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.989 -15.274 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.084 -13.921 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.484 -14.611 -3.594 1.00 0.00 H new ATOM 0 HG3 LYS A 29 93.734 -15.743 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.084 -17.170 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 29 90.816 -15.990 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 29 92.363 -17.216 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 29 90.935 -17.988 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.173 -16.611 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 89.792 -15.756 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.135 -15.297 -5.143 1.00 0.00 H new ATOM 494 N LEU A 30 93.610 -11.687 -2.681 1.00 0.00 N ATOM 495 CA LEU A 30 93.564 -10.778 -3.860 1.00 0.00 C ATOM 496 C LEU A 30 94.814 -9.913 -3.887 1.00 0.00 C ATOM 497 O LEU A 30 95.125 -9.262 -4.865 1.00 0.00 O ATOM 498 CB LEU A 30 92.317 -9.893 -3.789 1.00 0.00 C ATOM 499 CG LEU A 30 91.097 -10.693 -4.248 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.834 -10.108 -3.612 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.981 -10.615 -5.772 1.00 0.00 C ATOM 0 H LEU A 30 93.144 -11.337 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 30 93.521 -11.374 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.169 -9.536 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.446 -9.013 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 30 91.210 -11.733 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.964 -10.678 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 30 89.915 -10.161 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 30 89.721 -9.068 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.112 -11.185 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.868 -9.574 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.880 -11.030 -6.227 1.00 0.00 H new ATOM 513 N ALA A 31 95.521 -9.909 -2.813 1.00 0.00 N ATOM 514 CA ALA A 31 96.767 -9.096 -2.728 1.00 0.00 C ATOM 515 C ALA A 31 97.912 -9.840 -3.416 1.00 0.00 C ATOM 516 O ALA A 31 98.764 -9.242 -4.044 1.00 0.00 O ATOM 517 CB ALA A 31 97.125 -8.859 -1.260 1.00 0.00 C ATOM 0 H ALA A 31 95.295 -10.439 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 31 96.607 -8.138 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.036 -8.264 -1.199 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.311 -8.327 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.283 -9.817 -0.765 1.00 0.00 H new ATOM 523 N ALA A 32 97.944 -11.139 -3.301 1.00 0.00 N ATOM 524 CA ALA A 32 99.038 -11.918 -3.948 1.00 0.00 C ATOM 525 C ALA A 32 99.296 -11.365 -5.351 1.00 0.00 C ATOM 526 O ALA A 32 100.372 -11.508 -5.896 1.00 0.00 O ATOM 527 CB ALA A 32 98.632 -13.389 -4.044 1.00 0.00 C ATOM 0 H ALA A 32 97.260 -11.695 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 32 99.946 -11.833 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.433 -13.957 -4.517 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.450 -13.782 -3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.723 -13.478 -4.640 1.00 0.00 H new ATOM 533 N HIS A 33 98.317 -10.731 -5.939 1.00 0.00 N ATOM 534 CA HIS A 33 98.510 -10.166 -7.303 1.00 0.00 C ATOM 535 C HIS A 33 99.493 -8.994 -7.226 1.00 0.00 C ATOM 536 O HIS A 33 99.358 -8.008 -7.922 1.00 0.00 O ATOM 537 CB HIS A 33 97.159 -9.680 -7.847 1.00 0.00 C ATOM 538 CG HIS A 33 96.629 -10.671 -8.848 1.00 0.00 C ATOM 539 ND1 HIS A 33 96.871 -10.548 -10.210 1.00 0.00 N ATOM 540 CD2 HIS A 33 95.869 -11.806 -8.703 1.00 0.00 C ATOM 541 CE1 HIS A 33 96.266 -11.582 -10.824 1.00 0.00 C ATOM 542 NE2 HIS A 33 95.644 -12.375 -9.950 1.00 0.00 N ATOM 0 H HIS A 33 97.393 -10.581 -5.533 1.00 0.00 H new ATOM 0 HA HIS A 33 98.910 -10.930 -7.969 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.449 -9.560 -7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.275 -8.702 -8.315 1.00 0.00 H new ATOM 0 HD2 HIS A 33 95.503 -12.196 -7.765 1.00 0.00 H new ATOM 0 HE1 HIS A 33 96.282 -11.749 -11.891 1.00 0.00 H new ATOM 0 HE2 HIS A 33 95.114 -13.222 -10.155 1.00 0.00 H new ATOM 550 N ASP A 34 100.481 -9.097 -6.380 1.00 0.00 N ATOM 551 CA ASP A 34 101.473 -7.994 -6.249 1.00 0.00 C ATOM 552 C ASP A 34 101.849 -7.468 -7.637 1.00 0.00 C ATOM 553 O ASP A 34 102.786 -7.930 -8.257 1.00 0.00 O ATOM 554 CB ASP A 34 102.723 -8.519 -5.536 1.00 0.00 C ATOM 555 CG ASP A 34 103.438 -9.531 -6.434 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.939 -10.637 -6.560 1.00 0.00 O ATOM 557 OD2 ASP A 34 104.472 -9.182 -6.978 1.00 0.00 O ATOM 0 H ASP A 34 100.644 -9.900 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 34 101.038 -7.181 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.392 -7.692 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 34 102.446 -8.987 -4.592 1.00 0.00 H new ATOM 562 N ASN A 35 101.122 -6.501 -8.127 1.00 0.00 N ATOM 563 CA ASN A 35 101.428 -5.934 -9.470 1.00 0.00 C ATOM 564 C ASN A 35 101.063 -4.447 -9.476 1.00 0.00 C ATOM 565 O ASN A 35 100.472 -3.946 -10.412 1.00 0.00 O ATOM 566 CB ASN A 35 100.608 -6.667 -10.533 1.00 0.00 C ATOM 567 CG ASN A 35 101.045 -6.205 -11.924 1.00 0.00 C ATOM 568 OD1 ASN A 35 100.319 -5.330 -12.566 1.00 0.00 O flip ATOM 569 ND2 ASN A 35 102.057 -6.645 -12.433 1.00 0.00 N flip ATOM 0 H ASN A 35 100.325 -6.078 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 35 102.489 -6.054 -9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.747 -7.744 -10.436 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.546 -6.468 -10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 35 102.624 -7.329 -11.932 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.339 -6.331 -13.361 1.00 0.00 H new ATOM 576 N LEU A 36 101.392 -3.743 -8.426 1.00 0.00 N ATOM 577 CA LEU A 36 101.046 -2.297 -8.355 1.00 0.00 C ATOM 578 C LEU A 36 102.097 -1.456 -9.094 1.00 0.00 C ATOM 579 O LEU A 36 103.216 -1.886 -9.317 1.00 0.00 O ATOM 580 CB LEU A 36 100.955 -1.879 -6.876 1.00 0.00 C ATOM 581 CG LEU A 36 102.219 -1.125 -6.441 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.039 0.379 -6.684 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.465 -1.372 -4.950 1.00 0.00 C ATOM 0 H LEU A 36 101.887 -4.110 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 36 100.084 -2.126 -8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.080 -1.247 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.821 -2.762 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 36 103.070 -1.482 -7.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.940 0.908 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.861 0.557 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.188 0.741 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.362 -0.838 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.610 -1.014 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.598 -2.440 -4.775 1.00 0.00 H new ATOM 595 N LYS A 37 101.737 -0.254 -9.465 1.00 0.00 N ATOM 596 CA LYS A 37 102.691 0.639 -10.184 1.00 0.00 C ATOM 597 C LYS A 37 102.912 1.907 -9.356 1.00 0.00 C ATOM 598 O LYS A 37 102.044 2.340 -8.625 1.00 0.00 O ATOM 599 CB LYS A 37 102.100 1.024 -11.549 1.00 0.00 C ATOM 600 CG LYS A 37 102.656 0.106 -12.641 1.00 0.00 C ATOM 601 CD LYS A 37 102.633 0.836 -13.986 1.00 0.00 C ATOM 602 CE LYS A 37 101.193 1.203 -14.346 1.00 0.00 C ATOM 603 NZ LYS A 37 100.375 -0.038 -14.445 1.00 0.00 N ATOM 0 H LYS A 37 100.815 0.149 -9.299 1.00 0.00 H new ATOM 0 HA LYS A 37 103.639 0.121 -10.329 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.013 0.948 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.341 2.062 -11.778 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.675 -0.193 -12.395 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.062 -0.806 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.246 1.736 -13.933 1.00 0.00 H new ATOM 0 HD3 LYS A 37 103.062 0.203 -14.762 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.776 1.867 -13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.170 1.743 -15.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.518 0.154 -15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.931 -0.784 -14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.104 -0.352 -13.491 1.00 0.00 H new ATOM 617 N LEU A 38 104.067 2.507 -9.461 1.00 0.00 N ATOM 618 CA LEU A 38 104.330 3.742 -8.676 1.00 0.00 C ATOM 619 C LEU A 38 105.381 4.600 -9.386 1.00 0.00 C ATOM 620 O LEU A 38 106.256 4.097 -10.062 1.00 0.00 O ATOM 621 CB LEU A 38 104.841 3.358 -7.286 1.00 0.00 C ATOM 622 CG LEU A 38 106.192 2.646 -7.406 1.00 0.00 C ATOM 623 CD1 LEU A 38 106.749 2.370 -6.008 1.00 0.00 C ATOM 624 CD2 LEU A 38 106.011 1.322 -8.156 1.00 0.00 C ATOM 0 H LEU A 38 104.836 2.195 -10.055 1.00 0.00 H new ATOM 0 HA LEU A 38 103.406 4.313 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 38 104.944 4.250 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 38 104.120 2.708 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 38 106.888 3.280 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 38 107.710 1.863 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 38 106.881 3.312 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.053 1.737 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 38 106.973 0.817 -8.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.314 0.686 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.616 1.519 -9.153 1.00 0.00 H new ATOM 636 N THR A 39 105.303 5.894 -9.227 1.00 0.00 N ATOM 637 CA THR A 39 106.298 6.796 -9.877 1.00 0.00 C ATOM 638 C THR A 39 107.071 7.541 -8.789 1.00 0.00 C ATOM 639 O THR A 39 106.492 8.203 -7.951 1.00 0.00 O ATOM 640 CB THR A 39 105.570 7.803 -10.771 1.00 0.00 C ATOM 641 OG1 THR A 39 104.774 7.103 -11.717 1.00 0.00 O ATOM 642 CG2 THR A 39 106.595 8.670 -11.503 1.00 0.00 C ATOM 0 H THR A 39 104.590 6.367 -8.672 1.00 0.00 H new ATOM 0 HA THR A 39 106.987 6.211 -10.487 1.00 0.00 H new ATOM 0 HB THR A 39 104.931 8.440 -10.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.305 7.746 -12.290 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.077 9.387 -12.140 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.205 9.205 -10.775 1.00 0.00 H new ATOM 0 HG23 THR A 39 107.235 8.036 -12.117 1.00 0.00 H new ATOM 650 N ILE A 40 108.372 7.431 -8.779 1.00 0.00 N ATOM 651 CA ILE A 40 109.166 8.125 -7.723 1.00 0.00 C ATOM 652 C ILE A 40 109.952 9.294 -8.319 1.00 0.00 C ATOM 653 O ILE A 40 110.636 9.160 -9.316 1.00 0.00 O ATOM 654 CB ILE A 40 110.139 7.137 -7.085 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.348 5.980 -6.472 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.939 7.843 -5.990 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.904 5.014 -7.571 1.00 0.00 C ATOM 0 H ILE A 40 108.918 6.894 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 40 108.479 8.511 -6.970 1.00 0.00 H new ATOM 0 HB ILE A 40 110.823 6.755 -7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.962 5.455 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.478 6.364 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.634 7.137 -5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.497 8.672 -6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.257 8.223 -5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.341 4.192 -7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.273 5.542 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.781 4.618 -8.084 1.00 0.00 H new ATOM 669 N THR A 41 109.866 10.435 -7.692 1.00 0.00 N ATOM 670 CA THR A 41 110.605 11.629 -8.175 1.00 0.00 C ATOM 671 C THR A 41 111.331 12.259 -6.985 1.00 0.00 C ATOM 672 O THR A 41 110.907 12.131 -5.855 1.00 0.00 O ATOM 673 CB THR A 41 109.622 12.638 -8.766 1.00 0.00 C ATOM 674 OG1 THR A 41 108.569 11.945 -9.421 1.00 0.00 O ATOM 675 CG2 THR A 41 110.347 13.537 -9.767 1.00 0.00 C ATOM 0 H THR A 41 109.306 10.590 -6.854 1.00 0.00 H new ATOM 0 HA THR A 41 111.321 11.341 -8.945 1.00 0.00 H new ATOM 0 HB THR A 41 109.209 13.252 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.937 12.592 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.643 14.256 -10.187 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.152 14.070 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.764 12.927 -10.568 1.00 0.00 H new ATOM 683 N GLN A 42 112.424 12.929 -7.222 1.00 0.00 N ATOM 684 CA GLN A 42 113.174 13.552 -6.092 1.00 0.00 C ATOM 685 C GLN A 42 113.193 15.075 -6.254 1.00 0.00 C ATOM 686 O GLN A 42 113.190 15.590 -7.354 1.00 0.00 O ATOM 687 CB GLN A 42 114.611 13.026 -6.084 1.00 0.00 C ATOM 688 CG GLN A 42 115.390 13.651 -7.243 1.00 0.00 C ATOM 689 CD GLN A 42 116.605 12.780 -7.570 1.00 0.00 C ATOM 690 OE1 GLN A 42 117.047 12.733 -8.701 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.168 12.083 -6.621 1.00 0.00 N ATOM 0 H GLN A 42 112.831 13.073 -8.146 1.00 0.00 H new ATOM 0 HA GLN A 42 112.683 13.297 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.092 13.267 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.612 11.940 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.748 13.742 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.712 14.658 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.798 12.122 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.978 11.499 -6.829 1.00 0.00 H new ATOM 700 N GLU A 43 113.221 15.803 -5.167 1.00 0.00 N ATOM 701 CA GLU A 43 113.248 17.288 -5.270 1.00 0.00 C ATOM 702 C GLU A 43 114.061 17.864 -4.108 1.00 0.00 C ATOM 703 O GLU A 43 113.517 18.333 -3.129 1.00 0.00 O ATOM 704 CB GLU A 43 111.818 17.833 -5.215 1.00 0.00 C ATOM 705 CG GLU A 43 111.097 17.505 -6.524 1.00 0.00 C ATOM 706 CD GLU A 43 109.781 18.284 -6.590 1.00 0.00 C ATOM 707 OE1 GLU A 43 108.828 17.853 -5.960 1.00 0.00 O ATOM 708 OE2 GLU A 43 109.749 19.298 -7.267 1.00 0.00 O ATOM 0 H GLU A 43 113.226 15.432 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 43 113.708 17.578 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 43 111.283 17.395 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 43 111.834 18.911 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 43 111.728 17.764 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 43 110.902 16.434 -6.586 1.00 0.00 H new ATOM 715 N GLY A 44 115.362 17.834 -4.212 1.00 0.00 N ATOM 716 CA GLY A 44 116.212 18.381 -3.116 1.00 0.00 C ATOM 717 C GLY A 44 116.167 17.443 -1.908 1.00 0.00 C ATOM 718 O GLY A 44 116.915 16.490 -1.821 1.00 0.00 O ATOM 0 H GLY A 44 115.873 17.454 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 44 117.239 18.494 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 44 115.861 19.373 -2.831 1.00 0.00 H new ATOM 722 N ASN A 45 115.296 17.710 -0.972 1.00 0.00 N ATOM 723 CA ASN A 45 115.199 16.843 0.238 1.00 0.00 C ATOM 724 C ASN A 45 113.751 16.397 0.429 1.00 0.00 C ATOM 725 O ASN A 45 113.314 16.129 1.531 1.00 0.00 O ATOM 726 CB ASN A 45 115.670 17.616 1.474 1.00 0.00 C ATOM 727 CG ASN A 45 115.692 19.114 1.166 1.00 0.00 C ATOM 728 OD1 ASN A 45 116.436 19.556 0.188 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 115.026 19.891 1.820 1.00 0.00 N flip ATOM 0 H ASN A 45 114.645 18.495 -0.994 1.00 0.00 H new ATOM 0 HA ASN A 45 115.834 15.967 0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.005 17.417 2.315 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.665 17.280 1.768 1.00 0.00 H new ATOM 0 HD21 ASN A 45 114.445 19.547 2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 45 115.048 20.888 1.605 1.00 0.00 H new ATOM 736 N LYS A 46 113.007 16.302 -0.633 1.00 0.00 N ATOM 737 CA LYS A 46 111.605 15.864 -0.516 1.00 0.00 C ATOM 738 C LYS A 46 111.232 15.134 -1.794 1.00 0.00 C ATOM 739 O LYS A 46 111.136 15.702 -2.863 1.00 0.00 O ATOM 740 CB LYS A 46 110.691 17.070 -0.315 1.00 0.00 C ATOM 741 CG LYS A 46 110.544 17.831 -1.631 1.00 0.00 C ATOM 742 CD LYS A 46 110.137 19.267 -1.327 1.00 0.00 C ATOM 743 CE LYS A 46 109.808 19.997 -2.631 1.00 0.00 C ATOM 744 NZ LYS A 46 111.071 20.312 -3.356 1.00 0.00 N ATOM 0 H LYS A 46 113.318 16.512 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 46 111.488 15.204 0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 46 109.713 16.742 0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.103 17.726 0.452 1.00 0.00 H new ATOM 0 HG2 LYS A 46 111.484 17.814 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.795 17.352 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 46 109.271 19.277 -0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.944 19.781 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 46 109.163 19.378 -3.254 1.00 0.00 H new ATOM 0 HE3 LYS A 46 109.260 20.915 -2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 110.871 20.422 -4.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 111.473 21.196 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 111.752 19.538 -3.219 1.00 0.00 H new ATOM 758 N PHE A 47 111.046 13.873 -1.674 1.00 0.00 N ATOM 759 CA PHE A 47 110.694 13.039 -2.852 1.00 0.00 C ATOM 760 C PHE A 47 109.185 13.070 -3.082 1.00 0.00 C ATOM 761 O PHE A 47 108.434 13.615 -2.298 1.00 0.00 O ATOM 762 CB PHE A 47 111.149 11.598 -2.610 1.00 0.00 C ATOM 763 CG PHE A 47 112.596 11.449 -3.012 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.560 12.318 -2.489 1.00 0.00 C ATOM 765 CD2 PHE A 47 112.974 10.439 -3.905 1.00 0.00 C ATOM 766 CE1 PHE A 47 114.903 12.179 -2.860 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.317 10.300 -4.275 1.00 0.00 C ATOM 768 CZ PHE A 47 115.282 11.170 -3.753 1.00 0.00 C ATOM 0 H PHE A 47 111.122 13.361 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 47 111.195 13.436 -3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.025 11.339 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.529 10.909 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.268 13.096 -1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.230 9.768 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.647 12.851 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.609 9.521 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.318 11.063 -4.039 1.00 0.00 H new ATOM 778 N THR A 48 108.739 12.476 -4.152 1.00 0.00 N ATOM 779 CA THR A 48 107.288 12.447 -4.447 1.00 0.00 C ATOM 780 C THR A 48 106.963 11.097 -5.074 1.00 0.00 C ATOM 781 O THR A 48 107.242 10.845 -6.230 1.00 0.00 O ATOM 782 CB THR A 48 106.935 13.570 -5.425 1.00 0.00 C ATOM 783 OG1 THR A 48 107.441 14.802 -4.932 1.00 0.00 O ATOM 784 CG2 THR A 48 105.416 13.663 -5.572 1.00 0.00 C ATOM 0 H THR A 48 109.327 12.005 -4.840 1.00 0.00 H new ATOM 0 HA THR A 48 106.712 12.590 -3.532 1.00 0.00 H new ATOM 0 HB THR A 48 107.379 13.357 -6.397 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.217 15.522 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.166 14.463 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.029 12.717 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 48 104.969 13.875 -4.601 1.00 0.00 H new ATOM 792 N VAL A 49 106.388 10.227 -4.306 1.00 0.00 N ATOM 793 CA VAL A 49 106.045 8.875 -4.820 1.00 0.00 C ATOM 794 C VAL A 49 104.569 8.828 -5.210 1.00 0.00 C ATOM 795 O VAL A 49 103.693 8.831 -4.368 1.00 0.00 O ATOM 796 CB VAL A 49 106.316 7.836 -3.731 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.068 6.432 -4.288 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.770 7.954 -3.266 1.00 0.00 C ATOM 0 H VAL A 49 106.136 10.393 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 49 106.655 8.657 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 49 105.649 8.012 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.262 5.693 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.032 6.349 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.733 6.253 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 107.965 7.214 -2.490 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.437 7.779 -4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 49 107.944 8.953 -2.867 1.00 0.00 H new ATOM 808 N LYS A 50 104.286 8.776 -6.482 1.00 0.00 N ATOM 809 CA LYS A 50 102.867 8.716 -6.922 1.00 0.00 C ATOM 810 C LYS A 50 102.475 7.251 -7.119 1.00 0.00 C ATOM 811 O LYS A 50 102.782 6.648 -8.128 1.00 0.00 O ATOM 812 CB LYS A 50 102.712 9.478 -8.246 1.00 0.00 C ATOM 813 CG LYS A 50 101.342 10.164 -8.305 1.00 0.00 C ATOM 814 CD LYS A 50 100.281 9.162 -8.767 1.00 0.00 C ATOM 815 CE LYS A 50 100.228 9.140 -10.295 1.00 0.00 C ATOM 816 NZ LYS A 50 99.170 8.190 -10.742 1.00 0.00 N ATOM 0 H LYS A 50 104.976 8.773 -7.234 1.00 0.00 H new ATOM 0 HA LYS A 50 102.222 9.171 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.503 10.221 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.819 8.790 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.080 10.559 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.378 11.011 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.515 8.168 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 50 99.307 9.436 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.019 10.139 -10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 50 101.195 8.840 -10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.884 8.422 -11.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.540 7.219 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.346 8.266 -10.112 1.00 0.00 H new ATOM 830 N GLU A 51 101.800 6.672 -6.163 1.00 0.00 N ATOM 831 CA GLU A 51 101.397 5.247 -6.304 1.00 0.00 C ATOM 832 C GLU A 51 100.322 5.136 -7.384 1.00 0.00 C ATOM 833 O GLU A 51 99.610 6.081 -7.661 1.00 0.00 O ATOM 834 CB GLU A 51 100.841 4.737 -4.973 1.00 0.00 C ATOM 835 CG GLU A 51 101.996 4.484 -4.002 1.00 0.00 C ATOM 836 CD GLU A 51 101.473 3.755 -2.764 1.00 0.00 C ATOM 837 OE1 GLU A 51 100.521 3.004 -2.901 1.00 0.00 O ATOM 838 OE2 GLU A 51 102.033 3.959 -1.699 1.00 0.00 O ATOM 0 H GLU A 51 101.512 7.123 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 51 102.263 4.647 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.150 5.467 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.276 3.818 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 51 102.769 3.889 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.456 5.429 -3.713 1.00 0.00 H new ATOM 845 N SER A 52 100.187 3.988 -7.989 1.00 0.00 N ATOM 846 CA SER A 52 99.157 3.821 -9.038 1.00 0.00 C ATOM 847 C SER A 52 98.888 2.338 -9.229 1.00 0.00 C ATOM 848 O SER A 52 99.682 1.606 -9.787 1.00 0.00 O ATOM 849 CB SER A 52 99.654 4.428 -10.349 1.00 0.00 C ATOM 850 OG SER A 52 100.291 5.670 -10.081 1.00 0.00 O ATOM 0 H SER A 52 100.750 3.159 -7.797 1.00 0.00 H new ATOM 0 HA SER A 52 98.239 4.327 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.351 3.747 -10.837 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.819 4.575 -11.034 1.00 0.00 H new ATOM 0 HG SER A 52 99.823 6.127 -9.352 1.00 0.00 H new ATOM 856 N SER A 53 97.762 1.903 -8.771 1.00 0.00 N ATOM 857 CA SER A 53 97.386 0.476 -8.906 1.00 0.00 C ATOM 858 C SER A 53 95.884 0.391 -9.169 1.00 0.00 C ATOM 859 O SER A 53 95.112 1.170 -8.647 1.00 0.00 O ATOM 860 CB SER A 53 97.725 -0.267 -7.611 1.00 0.00 C ATOM 861 OG SER A 53 98.666 0.496 -6.868 1.00 0.00 O ATOM 0 H SER A 53 97.070 2.485 -8.299 1.00 0.00 H new ATOM 0 HA SER A 53 97.934 0.021 -9.731 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.822 -0.427 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.135 -1.251 -7.839 1.00 0.00 H new ATOM 0 HG SER A 53 98.648 0.213 -5.930 1.00 0.00 H new ATOM 867 N ALA A 54 95.456 -0.544 -9.966 1.00 0.00 N ATOM 868 CA ALA A 54 93.999 -0.663 -10.244 1.00 0.00 C ATOM 869 C ALA A 54 93.250 -0.833 -8.920 1.00 0.00 C ATOM 870 O ALA A 54 92.066 -1.100 -8.896 1.00 0.00 O ATOM 871 CB ALA A 54 93.746 -1.881 -11.134 1.00 0.00 C ATOM 0 H ALA A 54 96.048 -1.229 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 54 93.647 0.234 -10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.679 -1.968 -11.337 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.286 -1.764 -12.074 1.00 0.00 H new ATOM 0 HB3 ALA A 54 94.093 -2.781 -10.626 1.00 0.00 H new ATOM 877 N PHE A 55 93.939 -0.695 -7.816 1.00 0.00 N ATOM 878 CA PHE A 55 93.275 -0.866 -6.496 1.00 0.00 C ATOM 879 C PHE A 55 93.089 0.487 -5.799 1.00 0.00 C ATOM 880 O PHE A 55 92.212 0.636 -4.973 1.00 0.00 O ATOM 881 CB PHE A 55 94.134 -1.773 -5.613 1.00 0.00 C ATOM 882 CG PHE A 55 93.285 -2.354 -4.509 1.00 0.00 C ATOM 883 CD1 PHE A 55 93.081 -1.630 -3.328 1.00 0.00 C ATOM 884 CD2 PHE A 55 92.702 -3.617 -4.665 1.00 0.00 C ATOM 885 CE1 PHE A 55 92.293 -2.169 -2.304 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.914 -4.156 -3.642 1.00 0.00 C ATOM 887 CZ PHE A 55 91.710 -3.433 -2.460 1.00 0.00 C ATOM 0 H PHE A 55 94.933 -0.471 -7.775 1.00 0.00 H new ATOM 0 HA PHE A 55 92.294 -1.314 -6.656 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.569 -2.574 -6.211 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.962 -1.206 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.531 -0.656 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 55 92.860 -4.176 -5.576 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.135 -1.610 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 55 91.463 -5.130 -3.764 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.104 -3.850 -1.669 1.00 0.00 H new ATOM 897 N ARG A 56 93.897 1.473 -6.111 1.00 0.00 N ATOM 898 CA ARG A 56 93.743 2.799 -5.443 1.00 0.00 C ATOM 899 C ARG A 56 95.044 3.587 -5.582 1.00 0.00 C ATOM 900 O ARG A 56 95.910 3.533 -4.733 1.00 0.00 O ATOM 901 CB ARG A 56 93.427 2.605 -3.951 1.00 0.00 C ATOM 902 CG ARG A 56 91.933 2.845 -3.697 1.00 0.00 C ATOM 903 CD ARG A 56 91.461 1.961 -2.539 1.00 0.00 C ATOM 904 NE ARG A 56 92.141 2.383 -1.283 1.00 0.00 N ATOM 905 CZ ARG A 56 91.806 1.837 -0.146 1.00 0.00 C ATOM 906 NH1 ARG A 56 92.400 2.207 0.956 1.00 0.00 N ATOM 907 NH2 ARG A 56 90.876 0.922 -0.109 1.00 0.00 N ATOM 0 H ARG A 56 94.651 1.415 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 56 92.925 3.343 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.700 1.596 -3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 56 94.022 3.294 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.758 3.895 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.360 2.620 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 56 90.380 2.040 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 56 91.683 0.915 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 56 92.868 3.098 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 56 93.126 2.923 0.928 1.00 0.00 H new ATOM 0 HH12 ARG A 56 92.138 1.780 1.845 1.00 0.00 H new ATOM 0 HH21 ARG A 56 90.410 0.633 -0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.615 0.496 0.780 1.00 0.00 H new ATOM 921 N ASN A 57 95.184 4.323 -6.647 1.00 0.00 N ATOM 922 CA ASN A 57 96.427 5.120 -6.843 1.00 0.00 C ATOM 923 C ASN A 57 96.548 6.148 -5.716 1.00 0.00 C ATOM 924 O ASN A 57 95.561 6.657 -5.221 1.00 0.00 O ATOM 925 CB ASN A 57 96.359 5.848 -8.187 1.00 0.00 C ATOM 926 CG ASN A 57 95.243 6.893 -8.145 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.079 6.554 -8.077 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.551 8.161 -8.184 1.00 0.00 N ATOM 0 H ASN A 57 94.492 4.408 -7.391 1.00 0.00 H new ATOM 0 HA ASN A 57 97.292 4.457 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.314 6.328 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.174 5.135 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.814 8.866 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.528 8.447 -8.241 1.00 0.00 H new ATOM 935 N ILE A 58 97.748 6.445 -5.291 1.00 0.00 N ATOM 936 CA ILE A 58 97.920 7.420 -4.183 1.00 0.00 C ATOM 937 C ILE A 58 99.154 8.288 -4.415 1.00 0.00 C ATOM 938 O ILE A 58 99.929 8.078 -5.325 1.00 0.00 O ATOM 939 CB ILE A 58 98.107 6.681 -2.866 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.278 5.402 -2.862 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.667 7.575 -1.698 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.272 4.836 -1.445 1.00 0.00 C ATOM 0 H ILE A 58 98.613 6.054 -5.665 1.00 0.00 H new ATOM 0 HA ILE A 58 97.029 8.046 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 58 99.161 6.428 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.260 5.609 -3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.697 4.676 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 58 97.804 7.040 -0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.269 8.484 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.616 7.837 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.683 3.919 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.294 4.618 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.834 5.566 -0.764 1.00 0.00 H new ATOM 954 N GLU A 59 99.332 9.255 -3.565 1.00 0.00 N ATOM 955 CA GLU A 59 100.510 10.162 -3.665 1.00 0.00 C ATOM 956 C GLU A 59 101.091 10.344 -2.266 1.00 0.00 C ATOM 957 O GLU A 59 100.369 10.403 -1.290 1.00 0.00 O ATOM 958 CB GLU A 59 100.074 11.518 -4.231 1.00 0.00 C ATOM 959 CG GLU A 59 99.470 12.372 -3.114 1.00 0.00 C ATOM 960 CD GLU A 59 98.539 13.423 -3.721 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.344 13.179 -3.754 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.036 14.455 -4.141 1.00 0.00 O ATOM 0 H GLU A 59 98.701 9.461 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 59 101.261 9.735 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 59 100.929 12.031 -4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.343 11.373 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 59 98.918 11.741 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.262 12.858 -2.545 1.00 0.00 H new ATOM 969 N CYS A 60 102.385 10.413 -2.147 1.00 0.00 N ATOM 970 CA CYS A 60 102.985 10.568 -0.794 1.00 0.00 C ATOM 971 C CYS A 60 104.361 11.228 -0.896 1.00 0.00 C ATOM 972 O CYS A 60 105.298 10.653 -1.412 1.00 0.00 O ATOM 973 CB CYS A 60 103.135 9.182 -0.159 1.00 0.00 C ATOM 974 SG CYS A 60 102.926 9.302 1.634 1.00 0.00 S ATOM 0 H CYS A 60 103.049 10.369 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 60 102.338 11.197 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 60 102.394 8.499 -0.576 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.116 8.769 -0.393 1.00 0.00 H new ATOM 980 N VAL A 61 104.498 12.420 -0.382 1.00 0.00 N ATOM 981 CA VAL A 61 105.822 13.092 -0.429 1.00 0.00 C ATOM 982 C VAL A 61 106.715 12.435 0.620 1.00 0.00 C ATOM 983 O VAL A 61 106.236 11.955 1.626 1.00 0.00 O ATOM 984 CB VAL A 61 105.659 14.580 -0.111 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.715 15.387 -0.868 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.263 15.041 -0.538 1.00 0.00 C ATOM 0 H VAL A 61 103.753 12.953 0.066 1.00 0.00 H new ATOM 0 HA VAL A 61 106.264 12.996 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 61 105.784 14.737 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.596 16.446 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.709 15.060 -0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.593 15.231 -1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.145 16.101 -0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.139 14.882 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.509 14.469 0.003 1.00 0.00 H new ATOM 996 N PHE A 62 107.998 12.386 0.397 1.00 0.00 N ATOM 997 CA PHE A 62 108.890 11.731 1.394 1.00 0.00 C ATOM 998 C PHE A 62 110.068 12.645 1.743 1.00 0.00 C ATOM 999 O PHE A 62 110.855 13.020 0.899 1.00 0.00 O ATOM 1000 CB PHE A 62 109.407 10.406 0.819 1.00 0.00 C ATOM 1001 CG PHE A 62 110.753 10.072 1.419 1.00 0.00 C ATOM 1002 CD1 PHE A 62 110.973 10.247 2.791 1.00 0.00 C ATOM 1003 CD2 PHE A 62 111.781 9.587 0.603 1.00 0.00 C ATOM 1004 CE1 PHE A 62 112.220 9.937 3.345 1.00 0.00 C ATOM 1005 CE2 PHE A 62 113.029 9.276 1.158 1.00 0.00 C ATOM 1006 CZ PHE A 62 113.249 9.452 2.529 1.00 0.00 C ATOM 0 H PHE A 62 108.465 12.768 -0.425 1.00 0.00 H new ATOM 0 HA PHE A 62 108.324 11.538 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 62 108.697 9.607 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 62 109.491 10.479 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE A 62 110.180 10.621 3.422 1.00 0.00 H new ATOM 0 HD2 PHE A 62 111.612 9.452 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 62 112.389 10.072 4.403 1.00 0.00 H new ATOM 0 HE2 PHE A 62 113.822 8.900 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 62 114.212 9.214 2.957 1.00 0.00 H new ATOM 1016 N GLU A 63 110.197 12.981 2.997 1.00 0.00 N ATOM 1017 CA GLU A 63 111.324 13.845 3.440 1.00 0.00 C ATOM 1018 C GLU A 63 112.095 13.094 4.529 1.00 0.00 C ATOM 1019 O GLU A 63 111.507 12.451 5.376 1.00 0.00 O ATOM 1020 CB GLU A 63 110.770 15.155 4.008 1.00 0.00 C ATOM 1021 CG GLU A 63 111.926 16.065 4.433 1.00 0.00 C ATOM 1022 CD GLU A 63 111.396 17.170 5.349 1.00 0.00 C ATOM 1023 OE1 GLU A 63 110.204 17.429 5.304 1.00 0.00 O ATOM 1024 OE2 GLU A 63 112.190 17.737 6.079 1.00 0.00 O ATOM 0 H GLU A 63 109.562 12.690 3.740 1.00 0.00 H new ATOM 0 HA GLU A 63 111.982 14.076 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.157 15.656 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.125 14.948 4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.689 15.484 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 63 112.400 16.503 3.555 1.00 0.00 H new ATOM 1031 N LEU A 64 113.399 13.152 4.517 1.00 0.00 N ATOM 1032 CA LEU A 64 114.177 12.418 5.554 1.00 0.00 C ATOM 1033 C LEU A 64 114.691 13.389 6.617 1.00 0.00 C ATOM 1034 O LEU A 64 114.980 14.537 6.339 1.00 0.00 O ATOM 1035 CB LEU A 64 115.362 11.703 4.902 1.00 0.00 C ATOM 1036 CG LEU A 64 116.190 12.704 4.090 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.664 12.294 4.124 1.00 0.00 C ATOM 1038 CD2 LEU A 64 115.698 12.714 2.639 1.00 0.00 C ATOM 0 H LEU A 64 113.956 13.672 3.839 1.00 0.00 H new ATOM 0 HA LEU A 64 113.524 11.685 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.984 11.239 5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.004 10.903 4.254 1.00 0.00 H new ATOM 0 HG LEU A 64 116.079 13.700 4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.253 13.006 3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.015 12.285 5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.775 11.298 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 64 116.286 13.426 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 115.809 11.718 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.648 13.005 2.613 1.00 0.00 H new ATOM 1050 N GLY A 65 114.819 12.931 7.834 1.00 0.00 N ATOM 1051 CA GLY A 65 115.327 13.820 8.919 1.00 0.00 C ATOM 1052 C GLY A 65 114.160 14.376 9.742 1.00 0.00 C ATOM 1053 O GLY A 65 114.360 15.050 10.733 1.00 0.00 O ATOM 0 H GLY A 65 114.594 11.979 8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 65 116.005 13.264 9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.900 14.641 8.487 1.00 0.00 H new ATOM 1057 N VAL A 66 112.947 14.105 9.347 1.00 0.00 N ATOM 1058 CA VAL A 66 111.784 14.629 10.118 1.00 0.00 C ATOM 1059 C VAL A 66 110.649 13.603 10.112 1.00 0.00 C ATOM 1060 O VAL A 66 110.115 13.261 9.076 1.00 0.00 O ATOM 1061 CB VAL A 66 111.296 15.932 9.481 1.00 0.00 C ATOM 1062 CG1 VAL A 66 110.117 16.482 10.283 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.434 16.955 9.480 1.00 0.00 C ATOM 0 H VAL A 66 112.711 13.546 8.527 1.00 0.00 H new ATOM 0 HA VAL A 66 112.092 14.816 11.147 1.00 0.00 H new ATOM 0 HB VAL A 66 110.979 15.739 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.770 17.410 9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 109.306 15.753 10.285 1.00 0.00 H new ATOM 0 HG13 VAL A 66 110.433 16.675 11.308 1.00 0.00 H new ATOM 0 HG21 VAL A 66 112.088 17.884 9.026 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.751 17.148 10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 66 113.275 16.563 8.908 1.00 0.00 H new ATOM 1073 N THR A 67 110.269 13.112 11.262 1.00 0.00 N ATOM 1074 CA THR A 67 109.164 12.114 11.319 1.00 0.00 C ATOM 1075 C THR A 67 107.978 12.618 10.517 1.00 0.00 C ATOM 1076 O THR A 67 107.679 13.795 10.470 1.00 0.00 O ATOM 1077 CB THR A 67 108.724 11.901 12.764 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.857 11.956 13.620 1.00 0.00 O ATOM 1079 CG2 THR A 67 108.044 10.534 12.892 1.00 0.00 C ATOM 0 H THR A 67 110.677 13.360 12.164 1.00 0.00 H new ATOM 0 HA THR A 67 109.522 11.172 10.903 1.00 0.00 H new ATOM 0 HB THR A 67 108.021 12.683 13.050 1.00 0.00 H new ATOM 0 HG1 THR A 67 109.573 11.821 14.548 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.729 10.380 13.924 1.00 0.00 H new ATOM 0 HG22 THR A 67 107.173 10.498 12.237 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.746 9.750 12.606 1.00 0.00 H new ATOM 1087 N PHE A 68 107.299 11.711 9.905 1.00 0.00 N ATOM 1088 CA PHE A 68 106.101 12.059 9.102 1.00 0.00 C ATOM 1089 C PHE A 68 105.278 10.792 8.950 1.00 0.00 C ATOM 1090 O PHE A 68 105.507 9.818 9.637 1.00 0.00 O ATOM 1091 CB PHE A 68 106.484 12.641 7.733 1.00 0.00 C ATOM 1092 CG PHE A 68 106.792 11.543 6.746 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.416 10.380 7.179 1.00 0.00 C ATOM 1094 CD2 PHE A 68 106.484 11.710 5.391 1.00 0.00 C ATOM 1095 CE1 PHE A 68 107.738 9.370 6.263 1.00 0.00 C ATOM 1096 CE2 PHE A 68 106.795 10.699 4.474 1.00 0.00 C ATOM 1097 CZ PHE A 68 107.424 9.530 4.910 1.00 0.00 C ATOM 0 H PHE A 68 107.524 10.716 9.924 1.00 0.00 H new ATOM 0 HA PHE A 68 105.523 12.833 9.607 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.668 13.257 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 68 107.351 13.292 7.840 1.00 0.00 H new ATOM 0 HD1 PHE A 68 107.654 10.254 8.225 1.00 0.00 H new ATOM 0 HD2 PHE A 68 106.007 12.618 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.228 8.469 6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 68 106.549 10.823 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 68 107.667 8.751 4.203 1.00 0.00 H new ATOM 1107 N ASN A 69 104.310 10.790 8.098 1.00 0.00 N ATOM 1108 CA ASN A 69 103.474 9.573 7.966 1.00 0.00 C ATOM 1109 C ASN A 69 102.999 9.374 6.533 1.00 0.00 C ATOM 1110 O ASN A 69 102.911 10.296 5.746 1.00 0.00 O ATOM 1111 CB ASN A 69 102.260 9.699 8.886 1.00 0.00 C ATOM 1112 CG ASN A 69 101.465 10.952 8.511 1.00 0.00 C ATOM 1113 OD1 ASN A 69 101.933 11.757 7.598 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 100.409 11.200 9.057 1.00 0.00 N flip ATOM 0 H ASN A 69 104.058 11.568 7.489 1.00 0.00 H new ATOM 0 HA ASN A 69 104.079 8.711 8.245 1.00 0.00 H new ATOM 0 HB2 ASN A 69 101.629 8.815 8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 69 102.582 9.757 9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 69 100.044 10.570 9.771 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.887 12.038 8.802 1.00 0.00 H new ATOM 1121 N CYS A 70 102.673 8.157 6.213 1.00 0.00 N ATOM 1122 CA CYS A 70 102.173 7.829 4.857 1.00 0.00 C ATOM 1123 C CYS A 70 101.179 6.681 4.996 1.00 0.00 C ATOM 1124 O CYS A 70 101.410 5.740 5.732 1.00 0.00 O ATOM 1125 CB CYS A 70 103.338 7.406 3.960 1.00 0.00 C ATOM 1126 SG CYS A 70 102.789 7.378 2.236 1.00 0.00 S ATOM 0 H CYS A 70 102.734 7.361 6.848 1.00 0.00 H new ATOM 0 HA CYS A 70 101.693 8.697 4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 70 104.171 8.099 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.699 6.421 4.254 1.00 0.00 H new ATOM 1132 N ASN A 71 100.066 6.749 4.327 1.00 0.00 N ATOM 1133 CA ASN A 71 99.067 5.657 4.463 1.00 0.00 C ATOM 1134 C ASN A 71 99.222 4.653 3.323 1.00 0.00 C ATOM 1135 O ASN A 71 99.596 4.999 2.220 1.00 0.00 O ATOM 1136 CB ASN A 71 97.655 6.249 4.438 1.00 0.00 C ATOM 1137 CG ASN A 71 97.634 7.482 3.533 1.00 0.00 C ATOM 1138 OD1 ASN A 71 98.156 7.454 2.436 1.00 0.00 O ATOM 1139 ND2 ASN A 71 97.047 8.571 3.948 1.00 0.00 N ATOM 0 H ASN A 71 99.805 7.507 3.696 1.00 0.00 H new ATOM 0 HA ASN A 71 99.232 5.143 5.410 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.944 5.506 4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.345 6.520 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 71 97.026 9.398 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.609 8.595 4.869 1.00 0.00 H new ATOM 1146 N LEU A 72 98.932 3.409 3.587 1.00 0.00 N ATOM 1147 CA LEU A 72 99.058 2.372 2.523 1.00 0.00 C ATOM 1148 C LEU A 72 97.674 2.056 1.950 1.00 0.00 C ATOM 1149 O LEU A 72 96.677 2.098 2.648 1.00 0.00 O ATOM 1150 CB LEU A 72 99.665 1.099 3.118 1.00 0.00 C ATOM 1151 CG LEU A 72 101.023 1.423 3.743 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.398 0.328 4.743 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.087 1.493 2.645 1.00 0.00 C ATOM 0 H LEU A 72 98.613 3.065 4.493 1.00 0.00 H new ATOM 0 HA LEU A 72 99.704 2.746 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 72 98.996 0.683 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.781 0.342 2.342 1.00 0.00 H new ATOM 0 HG LEU A 72 100.966 2.383 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.366 0.558 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.641 0.275 5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.455 -0.631 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.055 1.724 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.144 0.533 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.821 2.272 1.930 1.00 0.00 H new ATOM 1165 N ALA A 73 97.614 1.738 0.683 1.00 0.00 N ATOM 1166 CA ALA A 73 96.305 1.416 0.045 1.00 0.00 C ATOM 1167 C ALA A 73 95.448 0.596 1.007 1.00 0.00 C ATOM 1168 O ALA A 73 94.241 0.727 1.043 1.00 0.00 O ATOM 1169 CB ALA A 73 96.546 0.613 -1.235 1.00 0.00 C ATOM 0 H ALA A 73 98.420 1.688 0.060 1.00 0.00 H new ATOM 0 HA ALA A 73 95.785 2.343 -0.197 1.00 0.00 H new ATOM 0 HB1 ALA A 73 95.590 0.377 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.152 1.201 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.069 -0.312 -0.991 1.00 0.00 H new ATOM 1175 N ASP A 74 96.058 -0.249 1.790 1.00 0.00 N ATOM 1176 CA ASP A 74 95.271 -1.070 2.751 1.00 0.00 C ATOM 1177 C ASP A 74 94.477 -0.141 3.671 1.00 0.00 C ATOM 1178 O ASP A 74 93.861 -0.574 4.626 1.00 0.00 O ATOM 1179 CB ASP A 74 96.220 -1.929 3.588 1.00 0.00 C ATOM 1180 CG ASP A 74 96.658 -3.149 2.775 1.00 0.00 C ATOM 1181 OD1 ASP A 74 96.711 -4.227 3.342 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.933 -2.983 1.597 1.00 0.00 O ATOM 0 H ASP A 74 97.066 -0.406 1.806 1.00 0.00 H new ATOM 0 HA ASP A 74 94.587 -1.719 2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.091 -1.344 3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 74 95.725 -2.249 4.505 1.00 0.00 H new ATOM 1187 N GLY A 75 94.488 1.136 3.393 1.00 0.00 N ATOM 1188 CA GLY A 75 93.740 2.092 4.252 1.00 0.00 C ATOM 1189 C GLY A 75 94.438 2.204 5.605 1.00 0.00 C ATOM 1190 O GLY A 75 93.831 2.538 6.603 1.00 0.00 O ATOM 0 H GLY A 75 94.984 1.556 2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.692 3.070 3.772 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.713 1.752 4.386 1.00 0.00 H new ATOM 1194 N THR A 76 95.712 1.921 5.650 1.00 0.00 N ATOM 1195 CA THR A 76 96.447 2.004 6.934 1.00 0.00 C ATOM 1196 C THR A 76 97.227 3.316 6.992 1.00 0.00 C ATOM 1197 O THR A 76 97.481 3.947 5.987 1.00 0.00 O ATOM 1198 CB THR A 76 97.423 0.836 7.043 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.080 -0.157 6.085 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.365 0.237 8.450 1.00 0.00 C ATOM 0 H THR A 76 96.273 1.635 4.847 1.00 0.00 H new ATOM 0 HA THR A 76 95.735 1.963 7.758 1.00 0.00 H new ATOM 0 HB THR A 76 98.435 1.193 6.851 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.707 -0.907 6.153 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.064 -0.596 8.520 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.634 0.999 9.181 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.355 -0.119 8.652 1.00 0.00 H new ATOM 1208 N GLU A 77 97.613 3.720 8.166 1.00 0.00 N ATOM 1209 CA GLU A 77 98.387 4.982 8.314 1.00 0.00 C ATOM 1210 C GLU A 77 99.581 4.736 9.240 1.00 0.00 C ATOM 1211 O GLU A 77 99.419 4.282 10.355 1.00 0.00 O ATOM 1212 CB GLU A 77 97.488 6.067 8.912 1.00 0.00 C ATOM 1213 CG GLU A 77 98.255 7.389 8.967 1.00 0.00 C ATOM 1214 CD GLU A 77 97.279 8.534 9.243 1.00 0.00 C ATOM 1215 OE1 GLU A 77 97.645 9.433 9.982 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.182 8.493 8.709 1.00 0.00 O ATOM 0 H GLU A 77 97.424 3.226 9.038 1.00 0.00 H new ATOM 0 HA GLU A 77 98.744 5.309 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.587 6.181 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.167 5.778 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 77 99.015 7.349 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 77 98.775 7.559 8.024 1.00 0.00 H new ATOM 1223 N LEU A 78 100.778 5.023 8.795 1.00 0.00 N ATOM 1224 CA LEU A 78 101.965 4.786 9.678 1.00 0.00 C ATOM 1225 C LEU A 78 102.856 6.029 9.723 1.00 0.00 C ATOM 1226 O LEU A 78 102.802 6.877 8.855 1.00 0.00 O ATOM 1227 CB LEU A 78 102.778 3.606 9.145 1.00 0.00 C ATOM 1228 CG LEU A 78 101.831 2.515 8.639 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.592 2.702 7.140 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.461 1.143 8.889 1.00 0.00 C ATOM 0 H LEU A 78 100.986 5.406 7.873 1.00 0.00 H new ATOM 0 HA LEU A 78 101.609 4.566 10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.432 3.937 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.419 3.209 9.932 1.00 0.00 H new ATOM 0 HG LEU A 78 100.880 2.582 9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.918 1.925 6.779 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.146 3.681 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.541 2.634 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.789 0.363 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.411 1.077 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.632 1.011 9.957 1.00 0.00 H new ATOM 1242 N ARG A 79 103.682 6.140 10.734 1.00 0.00 N ATOM 1243 CA ARG A 79 104.582 7.329 10.835 1.00 0.00 C ATOM 1244 C ARG A 79 105.980 6.905 11.302 1.00 0.00 C ATOM 1245 O ARG A 79 106.146 5.911 11.983 1.00 0.00 O ATOM 1246 CB ARG A 79 103.990 8.343 11.820 1.00 0.00 C ATOM 1247 CG ARG A 79 104.297 7.921 13.259 1.00 0.00 C ATOM 1248 CD ARG A 79 103.553 8.841 14.229 1.00 0.00 C ATOM 1249 NE ARG A 79 103.924 10.257 13.953 1.00 0.00 N ATOM 1250 CZ ARG A 79 103.814 11.156 14.893 1.00 0.00 C ATOM 1251 NH1 ARG A 79 104.140 12.396 14.650 1.00 0.00 N ATOM 1252 NH2 ARG A 79 103.379 10.814 16.074 1.00 0.00 N ATOM 0 H ARG A 79 103.771 5.462 11.490 1.00 0.00 H new ATOM 0 HA ARG A 79 104.668 7.788 9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 79 104.404 9.333 11.627 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.912 8.414 11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.995 6.886 13.418 1.00 0.00 H new ATOM 0 HG3 ARG A 79 105.370 7.972 13.443 1.00 0.00 H new ATOM 0 HD2 ARG A 79 102.477 8.708 14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 79 103.804 8.582 15.258 1.00 0.00 H new ATOM 0 HE ARG A 79 104.264 10.524 13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.480 12.662 13.726 1.00 0.00 H new ATOM 0 HH12 ARG A 79 104.054 13.099 15.384 1.00 0.00 H new ATOM 0 HH21 ARG A 79 103.125 9.844 16.263 1.00 0.00 H new ATOM 0 HH22 ARG A 79 103.293 11.516 16.809 1.00 0.00 H new ATOM 1266 N GLY A 80 106.990 7.653 10.926 1.00 0.00 N ATOM 1267 CA GLY A 80 108.374 7.325 11.316 1.00 0.00 C ATOM 1268 C GLY A 80 109.276 8.099 10.368 1.00 0.00 C ATOM 1269 O GLY A 80 109.324 9.309 10.409 1.00 0.00 O ATOM 0 H GLY A 80 106.898 8.492 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.564 7.607 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.557 6.253 11.239 1.00 0.00 H new ATOM 1273 N THR A 81 109.952 7.429 9.482 1.00 0.00 N ATOM 1274 CA THR A 81 110.811 8.170 8.509 1.00 0.00 C ATOM 1275 C THR A 81 111.757 7.219 7.783 1.00 0.00 C ATOM 1276 O THR A 81 112.167 6.201 8.305 1.00 0.00 O ATOM 1277 CB THR A 81 111.649 9.231 9.240 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.571 9.018 10.642 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.134 10.632 8.904 1.00 0.00 C ATOM 0 H THR A 81 109.951 6.414 9.385 1.00 0.00 H new ATOM 0 HA THR A 81 110.153 8.648 7.784 1.00 0.00 H new ATOM 0 HB THR A 81 112.687 9.147 8.917 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.894 9.614 11.026 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.735 11.376 9.427 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.206 10.798 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 81 110.093 10.722 9.216 1.00 0.00 H new ATOM 1287 N TRP A 82 112.128 7.576 6.587 1.00 0.00 N ATOM 1288 CA TRP A 82 113.079 6.739 5.808 1.00 0.00 C ATOM 1289 C TRP A 82 114.418 7.473 5.749 1.00 0.00 C ATOM 1290 O TRP A 82 114.475 8.644 5.431 1.00 0.00 O ATOM 1291 CB TRP A 82 112.548 6.530 4.388 1.00 0.00 C ATOM 1292 CG TRP A 82 111.243 5.804 4.438 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.113 6.275 5.013 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.912 4.492 3.898 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.110 5.335 4.861 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.553 4.219 4.181 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.651 3.522 3.198 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.949 3.025 3.783 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 111.047 2.320 2.796 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.698 2.072 3.088 1.00 0.00 C ATOM 0 H TRP A 82 111.810 8.420 6.111 1.00 0.00 H new ATOM 0 HA TRP A 82 113.197 5.765 6.283 1.00 0.00 H new ATOM 0 HB2 TRP A 82 112.421 7.492 3.892 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.269 5.961 3.800 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.011 7.229 5.509 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.158 5.452 5.209 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.691 3.703 2.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.910 2.839 4.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 111.625 1.582 2.259 1.00 0.00 H new ATOM 0 HH2 TRP A 82 109.239 1.146 2.776 1.00 0.00 H new ATOM 1311 N SER A 83 115.498 6.811 6.065 1.00 0.00 N ATOM 1312 CA SER A 83 116.816 7.509 6.033 1.00 0.00 C ATOM 1313 C SER A 83 117.897 6.537 5.571 1.00 0.00 C ATOM 1314 O SER A 83 117.758 5.343 5.697 1.00 0.00 O ATOM 1315 CB SER A 83 117.152 8.021 7.434 1.00 0.00 C ATOM 1316 OG SER A 83 116.634 9.336 7.590 1.00 0.00 O ATOM 0 H SER A 83 115.526 5.829 6.341 1.00 0.00 H new ATOM 0 HA SER A 83 116.767 8.349 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.727 7.358 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.232 8.023 7.584 1.00 0.00 H new ATOM 0 HG SER A 83 115.859 9.454 7.002 1.00 0.00 H new ATOM 1322 N LEU A 84 118.976 7.028 5.037 1.00 0.00 N ATOM 1323 CA LEU A 84 120.044 6.107 4.588 1.00 0.00 C ATOM 1324 C LEU A 84 120.971 5.826 5.774 1.00 0.00 C ATOM 1325 O LEU A 84 121.312 6.714 6.530 1.00 0.00 O ATOM 1326 CB LEU A 84 120.816 6.750 3.425 1.00 0.00 C ATOM 1327 CG LEU A 84 122.324 6.678 3.680 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.790 5.219 3.635 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.057 7.485 2.605 1.00 0.00 C ATOM 0 H LEU A 84 119.162 8.021 4.894 1.00 0.00 H new ATOM 0 HA LEU A 84 119.620 5.167 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.574 6.239 2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.510 7.790 3.308 1.00 0.00 H new ATOM 0 HG LEU A 84 122.545 7.092 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.864 5.174 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.268 4.646 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.570 4.797 2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.131 7.436 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.833 7.070 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 84 122.730 8.524 2.643 1.00 0.00 H new ATOM 1341 N GLU A 85 121.380 4.602 5.944 1.00 0.00 N ATOM 1342 CA GLU A 85 122.280 4.271 7.080 1.00 0.00 C ATOM 1343 C GLU A 85 122.978 2.953 6.775 1.00 0.00 C ATOM 1344 O GLU A 85 122.508 2.166 5.981 1.00 0.00 O ATOM 1345 CB GLU A 85 121.465 4.133 8.369 1.00 0.00 C ATOM 1346 CG GLU A 85 121.060 5.520 8.874 1.00 0.00 C ATOM 1347 CD GLU A 85 120.712 5.440 10.362 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.839 4.363 10.922 1.00 0.00 O ATOM 1349 OE2 GLU A 85 120.326 6.456 10.916 1.00 0.00 O ATOM 0 H GLU A 85 121.130 3.816 5.345 1.00 0.00 H new ATOM 0 HA GLU A 85 123.015 5.065 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.577 3.528 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 85 122.052 3.616 9.128 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.874 6.228 8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 85 120.204 5.889 8.309 1.00 0.00 H new ATOM 1356 N GLY A 86 124.102 2.705 7.379 1.00 0.00 N ATOM 1357 CA GLY A 86 124.811 1.435 7.087 1.00 0.00 C ATOM 1358 C GLY A 86 124.961 1.315 5.573 1.00 0.00 C ATOM 1359 O GLY A 86 125.598 2.133 4.939 1.00 0.00 O ATOM 0 H GLY A 86 124.556 3.319 8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 86 125.789 1.425 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.252 0.587 7.483 1.00 0.00 H new ATOM 1363 N ASN A 87 124.377 0.308 4.982 1.00 0.00 N ATOM 1364 CA ASN A 87 124.487 0.152 3.504 1.00 0.00 C ATOM 1365 C ASN A 87 123.099 0.035 2.869 1.00 0.00 C ATOM 1366 O ASN A 87 122.925 -0.667 1.894 1.00 0.00 O ATOM 1367 CB ASN A 87 125.299 -1.105 3.185 1.00 0.00 C ATOM 1368 CG ASN A 87 126.792 -0.791 3.295 1.00 0.00 C ATOM 1369 OD1 ASN A 87 127.396 -0.319 2.352 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.417 -1.035 4.415 1.00 0.00 N ATOM 0 H ASN A 87 123.831 -0.411 5.457 1.00 0.00 H new ATOM 0 HA ASN A 87 124.985 1.031 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 87 125.034 -1.907 3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 87 125.064 -1.457 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.413 -0.829 4.499 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.910 -1.431 5.206 1.00 0.00 H new ATOM 1377 N LYS A 88 122.100 0.698 3.396 1.00 0.00 N ATOM 1378 CA LYS A 88 120.756 0.572 2.776 1.00 0.00 C ATOM 1379 C LYS A 88 119.826 1.675 3.280 1.00 0.00 C ATOM 1380 O LYS A 88 120.082 2.308 4.285 1.00 0.00 O ATOM 1381 CB LYS A 88 120.174 -0.794 3.137 1.00 0.00 C ATOM 1382 CG LYS A 88 119.953 -0.888 4.651 1.00 0.00 C ATOM 1383 CD LYS A 88 121.304 -0.873 5.373 1.00 0.00 C ATOM 1384 CE LYS A 88 121.196 -1.665 6.677 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.415 -1.432 7.502 1.00 0.00 N ATOM 0 H LYS A 88 122.158 1.308 4.212 1.00 0.00 H new ATOM 0 HA LYS A 88 120.849 0.668 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.230 -0.946 2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.850 -1.584 2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 88 119.339 -0.054 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.411 -1.802 4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 88 122.074 -1.307 4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 88 121.605 0.154 5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 88 120.307 -1.359 7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.087 -2.728 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.415 -2.083 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 123.263 -1.600 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.419 -0.450 7.846 1.00 0.00 H new ATOM 1399 N LEU A 89 118.737 1.897 2.593 1.00 0.00 N ATOM 1400 CA LEU A 89 117.780 2.942 3.037 1.00 0.00 C ATOM 1401 C LEU A 89 116.852 2.326 4.077 1.00 0.00 C ATOM 1402 O LEU A 89 116.220 1.320 3.829 1.00 0.00 O ATOM 1403 CB LEU A 89 116.961 3.433 1.842 1.00 0.00 C ATOM 1404 CG LEU A 89 117.903 3.951 0.753 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.226 3.823 -0.613 1.00 0.00 C ATOM 1406 CD2 LEU A 89 118.232 5.423 1.020 1.00 0.00 C ATOM 0 H LEU A 89 118.472 1.398 1.744 1.00 0.00 H new ATOM 0 HA LEU A 89 118.318 3.788 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.347 2.622 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 89 116.280 4.225 2.155 1.00 0.00 H new ATOM 0 HG LEU A 89 118.822 3.364 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.898 4.192 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 89 116.990 2.776 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.307 4.409 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.903 5.792 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 89 117.313 6.008 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 89 118.715 5.517 1.993 1.00 0.00 H new ATOM 1418 N ILE A 90 116.769 2.902 5.242 1.00 0.00 N ATOM 1419 CA ILE A 90 115.881 2.309 6.279 1.00 0.00 C ATOM 1420 C ILE A 90 114.511 2.976 6.235 1.00 0.00 C ATOM 1421 O ILE A 90 114.342 4.054 5.703 1.00 0.00 O ATOM 1422 CB ILE A 90 116.485 2.455 7.684 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.676 3.415 7.684 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.964 1.085 8.171 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.196 4.818 8.049 1.00 0.00 C ATOM 0 H ILE A 90 117.270 3.746 5.519 1.00 0.00 H new ATOM 0 HA ILE A 90 115.777 1.246 6.063 1.00 0.00 H new ATOM 0 HB ILE A 90 115.714 2.855 8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.428 3.079 8.398 1.00 0.00 H new ATOM 0 HG13 ILE A 90 118.150 3.425 6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.394 1.183 9.168 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.120 0.396 8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.720 0.699 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.043 5.504 8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.459 5.152 7.318 1.00 0.00 H new ATOM 0 HD13 ILE A 90 116.742 4.801 9.040 1.00 0.00 H new ATOM 1437 N GLY A 91 113.535 2.326 6.798 1.00 0.00 N ATOM 1438 CA GLY A 91 112.157 2.877 6.823 1.00 0.00 C ATOM 1439 C GLY A 91 111.472 2.407 8.103 1.00 0.00 C ATOM 1440 O GLY A 91 111.008 1.286 8.200 1.00 0.00 O ATOM 0 H GLY A 91 113.638 1.418 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.184 3.966 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.599 2.541 5.949 1.00 0.00 H new ATOM 1444 N LYS A 92 111.414 3.248 9.086 1.00 0.00 N ATOM 1445 CA LYS A 92 110.765 2.857 10.366 1.00 0.00 C ATOM 1446 C LYS A 92 109.339 3.395 10.377 1.00 0.00 C ATOM 1447 O LYS A 92 109.128 4.582 10.479 1.00 0.00 O ATOM 1448 CB LYS A 92 111.547 3.449 11.542 1.00 0.00 C ATOM 1449 CG LYS A 92 112.643 2.470 11.975 1.00 0.00 C ATOM 1450 CD LYS A 92 113.331 2.999 13.235 1.00 0.00 C ATOM 1451 CE LYS A 92 114.213 1.902 13.834 1.00 0.00 C ATOM 1452 NZ LYS A 92 114.634 2.297 15.207 1.00 0.00 N ATOM 0 H LYS A 92 111.789 4.196 9.062 1.00 0.00 H new ATOM 0 HA LYS A 92 110.753 1.771 10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.990 4.402 11.254 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.874 3.649 12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.212 1.488 12.168 1.00 0.00 H new ATOM 0 HG3 LYS A 92 113.372 2.346 11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.935 3.874 12.993 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.585 3.318 13.963 1.00 0.00 H new ATOM 0 HE2 LYS A 92 113.667 0.959 13.867 1.00 0.00 H new ATOM 0 HE3 LYS A 92 115.089 1.741 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.234 1.551 15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 115.170 3.187 15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 113.792 2.429 15.804 1.00 0.00 H new ATOM 1466 N PHE A 93 108.363 2.534 10.256 1.00 0.00 N ATOM 1467 CA PHE A 93 106.947 2.989 10.240 1.00 0.00 C ATOM 1468 C PHE A 93 106.140 2.235 11.286 1.00 0.00 C ATOM 1469 O PHE A 93 106.263 1.037 11.448 1.00 0.00 O ATOM 1470 CB PHE A 93 106.342 2.721 8.853 1.00 0.00 C ATOM 1471 CG PHE A 93 106.475 3.939 7.965 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.169 5.069 8.407 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.899 3.929 6.688 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.288 6.186 7.581 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.017 5.050 5.858 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.711 6.180 6.304 1.00 0.00 C ATOM 0 H PHE A 93 108.491 1.526 10.167 1.00 0.00 H new ATOM 0 HA PHE A 93 106.917 4.055 10.463 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.844 1.871 8.390 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.290 2.453 8.955 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.614 5.077 9.391 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.364 3.056 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.826 7.057 7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.572 5.043 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.802 7.046 5.665 1.00 0.00 H new ATOM 1486 N LYS A 94 105.298 2.937 11.980 1.00 0.00 N ATOM 1487 CA LYS A 94 104.446 2.286 13.006 1.00 0.00 C ATOM 1488 C LYS A 94 102.988 2.640 12.721 1.00 0.00 C ATOM 1489 O LYS A 94 102.642 3.794 12.552 1.00 0.00 O ATOM 1490 CB LYS A 94 104.849 2.770 14.405 1.00 0.00 C ATOM 1491 CG LYS A 94 104.063 4.033 14.769 1.00 0.00 C ATOM 1492 CD LYS A 94 104.626 4.632 16.058 1.00 0.00 C ATOM 1493 CE LYS A 94 103.955 3.973 17.265 1.00 0.00 C ATOM 1494 NZ LYS A 94 102.492 4.254 17.233 1.00 0.00 N ATOM 0 H LYS A 94 105.161 3.943 11.880 1.00 0.00 H new ATOM 0 HA LYS A 94 104.575 1.204 12.969 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.656 1.988 15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.919 2.977 14.433 1.00 0.00 H new ATOM 0 HG2 LYS A 94 104.128 4.760 13.959 1.00 0.00 H new ATOM 0 HG3 LYS A 94 103.008 3.793 14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 94 105.705 4.480 16.101 1.00 0.00 H new ATOM 0 HD3 LYS A 94 104.454 5.708 16.076 1.00 0.00 H new ATOM 0 HE2 LYS A 94 104.130 2.897 17.250 1.00 0.00 H new ATOM 0 HE3 LYS A 94 104.389 4.354 18.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 102.097 4.149 18.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 102.332 5.225 16.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 102.024 3.584 16.590 1.00 0.00 H new ATOM 1508 N ARG A 95 102.131 1.659 12.660 1.00 0.00 N ATOM 1509 CA ARG A 95 100.698 1.943 12.379 1.00 0.00 C ATOM 1510 C ARG A 95 100.185 2.962 13.394 1.00 0.00 C ATOM 1511 O ARG A 95 100.129 2.699 14.576 1.00 0.00 O ATOM 1512 CB ARG A 95 99.885 0.649 12.490 1.00 0.00 C ATOM 1513 CG ARG A 95 99.804 -0.028 11.119 1.00 0.00 C ATOM 1514 CD ARG A 95 98.850 -1.220 11.194 1.00 0.00 C ATOM 1515 NE ARG A 95 97.446 -0.728 11.272 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.522 -1.474 11.814 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.292 -1.042 11.885 1.00 0.00 N ATOM 1518 NH2 ARG A 95 96.827 -2.652 12.285 1.00 0.00 N ATOM 0 H ARG A 95 102.362 0.674 12.793 1.00 0.00 H new ATOM 0 HA ARG A 95 100.593 2.344 11.371 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.350 -0.023 13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.883 0.868 12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.456 0.684 10.370 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.794 -0.360 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 95 98.976 -1.856 10.318 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.082 -1.831 12.067 1.00 0.00 H new ATOM 0 HE ARG A 95 97.207 0.192 10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.053 -0.121 11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 95 94.570 -1.625 12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.788 -2.990 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.105 -3.235 12.708 1.00 0.00 H new ATOM 1532 N THR A 96 99.817 4.126 12.946 1.00 0.00 N ATOM 1533 CA THR A 96 99.318 5.156 13.897 1.00 0.00 C ATOM 1534 C THR A 96 97.965 4.731 14.433 1.00 0.00 C ATOM 1535 O THR A 96 97.423 5.302 15.358 1.00 0.00 O ATOM 1536 CB THR A 96 99.189 6.489 13.170 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.251 6.268 11.768 1.00 0.00 O ATOM 1538 CG2 THR A 96 100.327 7.414 13.590 1.00 0.00 C ATOM 0 H THR A 96 99.839 4.410 11.966 1.00 0.00 H new ATOM 0 HA THR A 96 100.016 5.262 14.727 1.00 0.00 H new ATOM 0 HB THR A 96 98.236 6.951 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.751 5.456 11.542 1.00 0.00 H new ATOM 0 HG21 THR A 96 100.233 8.367 13.069 1.00 0.00 H new ATOM 0 HG22 THR A 96 100.280 7.583 14.666 1.00 0.00 H new ATOM 0 HG23 THR A 96 101.282 6.954 13.336 1.00 0.00 H new ATOM 1546 N ASP A 97 97.439 3.730 13.840 1.00 0.00 N ATOM 1547 CA ASP A 97 96.112 3.203 14.261 1.00 0.00 C ATOM 1548 C ASP A 97 96.289 2.255 15.447 1.00 0.00 C ATOM 1549 O ASP A 97 95.583 2.338 16.432 1.00 0.00 O ATOM 1550 CB ASP A 97 95.470 2.448 13.095 1.00 0.00 C ATOM 1551 CG ASP A 97 93.959 2.350 13.320 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.562 2.131 14.452 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.226 2.498 12.356 1.00 0.00 O ATOM 0 H ASP A 97 97.869 3.231 13.061 1.00 0.00 H new ATOM 0 HA ASP A 97 95.470 4.033 14.555 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.676 2.963 12.157 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.901 1.450 13.012 1.00 0.00 H new ATOM 1558 N ASN A 98 97.226 1.352 15.359 1.00 0.00 N ATOM 1559 CA ASN A 98 97.450 0.394 16.477 1.00 0.00 C ATOM 1560 C ASN A 98 98.944 0.318 16.810 1.00 0.00 C ATOM 1561 O ASN A 98 99.372 -0.523 17.576 1.00 0.00 O ATOM 1562 CB ASN A 98 96.949 -0.991 16.067 1.00 0.00 C ATOM 1563 CG ASN A 98 95.454 -0.921 15.748 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.026 -0.094 14.967 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.636 -1.759 16.323 1.00 0.00 N ATOM 0 H ASN A 98 97.848 1.236 14.559 1.00 0.00 H new ATOM 0 HA ASN A 98 96.905 0.737 17.357 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.501 -1.346 15.197 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.127 -1.706 16.870 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.638 -1.720 16.117 1.00 0.00 H new ATOM 0 HD22 ASN A 98 94.995 -2.453 16.979 1.00 0.00 H new ATOM 1572 N GLY A 99 99.740 1.184 16.246 1.00 0.00 N ATOM 1573 CA GLY A 99 101.201 1.149 16.538 1.00 0.00 C ATOM 1574 C GLY A 99 101.708 -0.290 16.434 1.00 0.00 C ATOM 1575 O GLY A 99 102.448 -0.760 17.275 1.00 0.00 O ATOM 0 H GLY A 99 99.443 1.913 15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.738 1.787 15.836 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.393 1.542 17.536 1.00 0.00 H new ATOM 1579 N ASN A 100 101.312 -0.997 15.410 1.00 0.00 N ATOM 1580 CA ASN A 100 101.770 -2.407 15.259 1.00 0.00 C ATOM 1581 C ASN A 100 103.227 -2.427 14.810 1.00 0.00 C ATOM 1582 O ASN A 100 103.774 -3.453 14.461 1.00 0.00 O ATOM 1583 CB ASN A 100 100.900 -3.126 14.229 1.00 0.00 C ATOM 1584 CG ASN A 100 99.490 -3.313 14.790 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.521 -3.279 14.056 1.00 0.00 O ATOM 1586 ND2 ASN A 100 99.330 -3.512 16.070 1.00 0.00 N ATOM 0 H ASN A 100 100.692 -0.660 14.673 1.00 0.00 H new ATOM 0 HA ASN A 100 101.683 -2.918 16.218 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.861 -2.549 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.336 -4.094 13.982 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.393 -3.639 16.453 1.00 0.00 H new ATOM 0 HD22 ASN A 100 100.142 -3.541 16.687 1.00 0.00 H new ATOM 1593 N GLU A 101 103.854 -1.295 14.847 1.00 0.00 N ATOM 1594 CA GLU A 101 105.291 -1.194 14.454 1.00 0.00 C ATOM 1595 C GLU A 101 105.541 -1.862 13.094 1.00 0.00 C ATOM 1596 O GLU A 101 105.078 -2.952 12.822 1.00 0.00 O ATOM 1597 CB GLU A 101 106.149 -1.880 15.522 1.00 0.00 C ATOM 1598 CG GLU A 101 106.723 -0.829 16.475 1.00 0.00 C ATOM 1599 CD GLU A 101 107.450 -1.526 17.626 1.00 0.00 C ATOM 1600 OE1 GLU A 101 106.781 -1.940 18.558 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.663 -1.633 17.556 1.00 0.00 O ATOM 0 H GLU A 101 103.430 -0.414 15.138 1.00 0.00 H new ATOM 0 HA GLU A 101 105.557 -0.140 14.371 1.00 0.00 H new ATOM 0 HB2 GLU A 101 105.548 -2.600 16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.958 -2.437 15.050 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.411 -0.175 15.940 1.00 0.00 H new ATOM 0 HG3 GLU A 101 105.922 -0.200 16.864 1.00 0.00 H new ATOM 1608 N LEU A 102 106.304 -1.219 12.249 1.00 0.00 N ATOM 1609 CA LEU A 102 106.630 -1.804 10.919 1.00 0.00 C ATOM 1610 C LEU A 102 108.046 -1.366 10.552 1.00 0.00 C ATOM 1611 O LEU A 102 108.339 -0.188 10.498 1.00 0.00 O ATOM 1612 CB LEU A 102 105.641 -1.305 9.857 1.00 0.00 C ATOM 1613 CG LEU A 102 105.867 -2.068 8.544 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.701 -1.805 7.587 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.174 -1.602 7.888 1.00 0.00 C ATOM 0 H LEU A 102 106.718 -0.304 12.428 1.00 0.00 H new ATOM 0 HA LEU A 102 106.561 -2.891 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.617 -1.450 10.202 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.774 -0.235 9.695 1.00 0.00 H new ATOM 0 HG LEU A 102 105.930 -3.134 8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 102 104.865 -2.348 6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 102 103.771 -2.142 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.636 -0.737 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.328 -2.147 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.115 -0.534 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.008 -1.793 8.563 1.00 0.00 H new ATOM 1627 N ASN A 103 108.935 -2.293 10.311 1.00 0.00 N ATOM 1628 CA ASN A 103 110.328 -1.898 9.964 1.00 0.00 C ATOM 1629 C ASN A 103 110.592 -2.278 8.517 1.00 0.00 C ATOM 1630 O ASN A 103 110.022 -3.212 8.012 1.00 0.00 O ATOM 1631 CB ASN A 103 111.313 -2.634 10.875 1.00 0.00 C ATOM 1632 CG ASN A 103 111.462 -1.866 12.189 1.00 0.00 C ATOM 1633 OD1 ASN A 103 110.441 -1.206 12.665 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 112.518 -1.867 12.790 1.00 0.00 N flip ATOM 0 H ASN A 103 108.758 -3.297 10.339 1.00 0.00 H new ATOM 0 HA ASN A 103 110.455 -0.824 10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.958 -3.646 11.071 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.281 -2.726 10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.316 -2.383 12.418 1.00 0.00 H new ATOM 0 HD22 ASN A 103 112.607 -1.352 13.666 1.00 0.00 H new ATOM 1641 N THR A 104 111.428 -1.568 7.822 1.00 0.00 N ATOM 1642 CA THR A 104 111.659 -1.954 6.410 1.00 0.00 C ATOM 1643 C THR A 104 112.978 -1.387 5.888 1.00 0.00 C ATOM 1644 O THR A 104 113.665 -0.641 6.557 1.00 0.00 O ATOM 1645 CB THR A 104 110.505 -1.432 5.564 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.825 -1.561 4.186 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.260 0.037 5.904 1.00 0.00 C ATOM 0 H THR A 104 111.949 -0.758 8.159 1.00 0.00 H new ATOM 0 HA THR A 104 111.715 -3.041 6.348 1.00 0.00 H new ATOM 0 HB THR A 104 109.605 -2.010 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 104 111.008 -2.501 3.979 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.435 0.417 5.302 1.00 0.00 H new ATOM 0 HG22 THR A 104 110.010 0.129 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.160 0.614 5.692 1.00 0.00 H new ATOM 1655 N VAL A 105 113.320 -1.740 4.680 1.00 0.00 N ATOM 1656 CA VAL A 105 114.579 -1.239 4.070 1.00 0.00 C ATOM 1657 C VAL A 105 114.346 -1.011 2.573 1.00 0.00 C ATOM 1658 O VAL A 105 113.442 -1.579 1.990 1.00 0.00 O ATOM 1659 CB VAL A 105 115.691 -2.270 4.267 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.870 -1.934 3.353 1.00 0.00 C ATOM 1661 CG2 VAL A 105 116.155 -2.244 5.726 1.00 0.00 C ATOM 0 H VAL A 105 112.773 -2.362 4.084 1.00 0.00 H new ATOM 0 HA VAL A 105 114.874 -0.303 4.545 1.00 0.00 H new ATOM 0 HB VAL A 105 115.313 -3.262 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.662 -2.670 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.541 -1.951 2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.249 -0.942 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.948 -2.978 5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.532 -1.251 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 105 115.316 -2.484 6.379 1.00 0.00 H new ATOM 1671 N ARG A 106 115.145 -0.189 1.945 1.00 0.00 N ATOM 1672 CA ARG A 106 114.948 0.065 0.487 1.00 0.00 C ATOM 1673 C ARG A 106 116.286 -0.061 -0.247 1.00 0.00 C ATOM 1674 O ARG A 106 117.295 0.466 0.181 1.00 0.00 O ATOM 1675 CB ARG A 106 114.382 1.478 0.287 1.00 0.00 C ATOM 1676 CG ARG A 106 113.060 1.405 -0.481 1.00 0.00 C ATOM 1677 CD ARG A 106 112.656 2.808 -0.939 1.00 0.00 C ATOM 1678 NE ARG A 106 112.135 3.581 0.223 1.00 0.00 N ATOM 1679 CZ ARG A 106 111.905 4.860 0.104 1.00 0.00 C ATOM 1680 NH1 ARG A 106 111.444 5.538 1.118 1.00 0.00 N ATOM 1681 NH2 ARG A 106 112.137 5.463 -1.031 1.00 0.00 N ATOM 0 H ARG A 106 115.921 0.315 2.375 1.00 0.00 H new ATOM 0 HA ARG A 106 114.249 -0.668 0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.225 1.957 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 106 115.097 2.092 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.164 0.746 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.282 0.980 0.153 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.514 3.321 -1.375 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.895 2.743 -1.716 1.00 0.00 H new ATOM 0 HE ARG A 106 111.958 3.111 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 106 111.263 5.069 2.005 1.00 0.00 H new ATOM 0 HH12 ARG A 106 111.265 6.538 1.024 1.00 0.00 H new ATOM 0 HH21 ARG A 106 112.498 4.934 -1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.957 6.463 -1.123 1.00 0.00 H new ATOM 1695 N GLU A 107 116.295 -0.752 -1.354 1.00 0.00 N ATOM 1696 CA GLU A 107 117.556 -0.913 -2.130 1.00 0.00 C ATOM 1697 C GLU A 107 117.250 -0.732 -3.618 1.00 0.00 C ATOM 1698 O GLU A 107 116.126 -0.895 -4.049 1.00 0.00 O ATOM 1699 CB GLU A 107 118.132 -2.310 -1.889 1.00 0.00 C ATOM 1700 CG GLU A 107 118.973 -2.302 -0.612 1.00 0.00 C ATOM 1701 CD GLU A 107 119.650 -3.663 -0.436 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.117 -3.933 0.658 1.00 0.00 O ATOM 1703 OE2 GLU A 107 119.690 -4.411 -1.398 1.00 0.00 O ATOM 0 H GLU A 107 115.479 -1.214 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 107 118.284 -0.167 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.325 -3.037 -1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.744 -2.614 -2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.725 -1.514 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.342 -2.084 0.250 1.00 0.00 H new ATOM 1710 N ILE A 108 118.234 -0.399 -4.410 1.00 0.00 N ATOM 1711 CA ILE A 108 117.995 -0.212 -5.854 1.00 0.00 C ATOM 1712 C ILE A 108 118.972 -1.086 -6.622 1.00 0.00 C ATOM 1713 O ILE A 108 120.016 -0.643 -7.057 1.00 0.00 O ATOM 1714 CB ILE A 108 118.224 1.248 -6.215 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.630 2.144 -5.116 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.548 1.526 -7.550 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.951 3.363 -5.741 1.00 0.00 C ATOM 0 H ILE A 108 119.197 -0.249 -4.108 1.00 0.00 H new ATOM 0 HA ILE A 108 116.971 -0.488 -6.107 1.00 0.00 H new ATOM 0 HB ILE A 108 119.290 1.459 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.908 1.579 -4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.417 2.466 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.702 2.569 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 108 117.978 0.881 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.480 1.327 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.534 3.991 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.683 3.935 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.151 3.034 -6.404 1.00 0.00 H new ATOM 1729 N ILE A 109 118.646 -2.331 -6.779 1.00 0.00 N ATOM 1730 CA ILE A 109 119.561 -3.245 -7.507 1.00 0.00 C ATOM 1731 C ILE A 109 119.704 -2.769 -8.950 1.00 0.00 C ATOM 1732 O ILE A 109 118.938 -3.135 -9.818 1.00 0.00 O ATOM 1733 CB ILE A 109 118.995 -4.665 -7.488 1.00 0.00 C ATOM 1734 CG1 ILE A 109 119.027 -5.208 -6.057 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.839 -5.565 -8.393 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.368 -6.587 -6.018 1.00 0.00 C ATOM 0 H ILE A 109 117.786 -2.757 -6.435 1.00 0.00 H new ATOM 0 HA ILE A 109 120.538 -3.244 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 109 117.967 -4.650 -7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.057 -5.276 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.505 -4.525 -5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.435 -6.577 -8.379 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.817 -5.180 -9.412 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.868 -5.580 -8.033 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.391 -6.973 -4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.333 -6.505 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.909 -7.267 -6.676 1.00 0.00 H new ATOM 1748 N GLY A 110 120.690 -1.961 -9.208 1.00 0.00 N ATOM 1749 CA GLY A 110 120.904 -1.460 -10.596 1.00 0.00 C ATOM 1750 C GLY A 110 119.628 -0.798 -11.125 1.00 0.00 C ATOM 1751 O GLY A 110 119.516 0.412 -11.155 1.00 0.00 O ATOM 0 H GLY A 110 121.360 -1.623 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.726 -0.744 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.191 -2.285 -11.248 1.00 0.00 H new ATOM 1755 N ASP A 111 118.668 -1.577 -11.556 1.00 0.00 N ATOM 1756 CA ASP A 111 117.411 -0.984 -12.095 1.00 0.00 C ATOM 1757 C ASP A 111 116.192 -1.638 -11.441 1.00 0.00 C ATOM 1758 O ASP A 111 115.132 -1.723 -12.028 1.00 0.00 O ATOM 1759 CB ASP A 111 117.355 -1.200 -13.609 1.00 0.00 C ATOM 1760 CG ASP A 111 117.524 -2.688 -13.920 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.128 -3.377 -13.114 1.00 0.00 O ATOM 1762 OD2 ASP A 111 117.047 -3.113 -14.959 1.00 0.00 O ATOM 0 H ASP A 111 118.702 -2.596 -11.557 1.00 0.00 H new ATOM 0 HA ASP A 111 117.400 0.083 -11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.404 -0.841 -14.003 1.00 0.00 H new ATOM 0 HB3 ASP A 111 118.141 -0.624 -14.098 1.00 0.00 H new ATOM 1767 N GLU A 112 116.330 -2.092 -10.229 1.00 0.00 N ATOM 1768 CA GLU A 112 115.179 -2.729 -9.532 1.00 0.00 C ATOM 1769 C GLU A 112 115.099 -2.185 -8.106 1.00 0.00 C ATOM 1770 O GLU A 112 116.104 -2.015 -7.448 1.00 0.00 O ATOM 1771 CB GLU A 112 115.369 -4.249 -9.498 1.00 0.00 C ATOM 1772 CG GLU A 112 116.196 -4.689 -10.707 1.00 0.00 C ATOM 1773 CD GLU A 112 116.011 -6.191 -10.932 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.781 -6.953 -10.372 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.102 -6.553 -11.661 1.00 0.00 O ATOM 0 H GLU A 112 117.194 -2.050 -9.688 1.00 0.00 H new ATOM 0 HA GLU A 112 114.256 -2.501 -10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.870 -4.543 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.400 -4.747 -9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.886 -4.137 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 112 117.249 -4.462 -10.543 1.00 0.00 H new ATOM 1782 N LEU A 113 113.918 -1.909 -7.616 1.00 0.00 N ATOM 1783 CA LEU A 113 113.808 -1.372 -6.225 1.00 0.00 C ATOM 1784 C LEU A 113 113.353 -2.480 -5.286 1.00 0.00 C ATOM 1785 O LEU A 113 112.254 -2.982 -5.392 1.00 0.00 O ATOM 1786 CB LEU A 113 112.795 -0.229 -6.184 1.00 0.00 C ATOM 1787 CG LEU A 113 112.809 0.431 -4.803 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.884 1.521 -4.769 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.441 1.061 -4.529 1.00 0.00 C ATOM 0 H LEU A 113 113.034 -2.030 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 113 114.783 -1.000 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.034 0.508 -6.951 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.797 -0.608 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 113 113.027 -0.319 -4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.894 1.991 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.859 1.077 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.665 2.272 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.448 1.532 -3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.227 1.812 -5.290 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.673 0.288 -4.556 1.00 0.00 H new ATOM 1801 N VAL A 114 114.188 -2.864 -4.364 1.00 0.00 N ATOM 1802 CA VAL A 114 113.798 -3.940 -3.418 1.00 0.00 C ATOM 1803 C VAL A 114 113.407 -3.313 -2.081 1.00 0.00 C ATOM 1804 O VAL A 114 114.244 -2.838 -1.340 1.00 0.00 O ATOM 1805 CB VAL A 114 114.975 -4.896 -3.209 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.520 -6.092 -2.371 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.488 -5.389 -4.567 1.00 0.00 C ATOM 0 H VAL A 114 115.122 -2.479 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 114 112.954 -4.496 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 114 115.777 -4.371 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.359 -6.772 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.161 -5.742 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.716 -6.615 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.326 -6.069 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.687 -5.911 -5.091 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.816 -4.537 -5.163 1.00 0.00 H new ATOM 1817 N GLN A 115 112.142 -3.312 -1.763 1.00 0.00 N ATOM 1818 CA GLN A 115 111.700 -2.721 -0.471 1.00 0.00 C ATOM 1819 C GLN A 115 111.236 -3.852 0.442 1.00 0.00 C ATOM 1820 O GLN A 115 110.193 -4.438 0.235 1.00 0.00 O ATOM 1821 CB GLN A 115 110.543 -1.751 -0.717 1.00 0.00 C ATOM 1822 CG GLN A 115 110.230 -0.989 0.573 1.00 0.00 C ATOM 1823 CD GLN A 115 109.463 0.290 0.238 1.00 0.00 C ATOM 1824 OE1 GLN A 115 110.010 1.374 0.291 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.207 0.211 -0.108 1.00 0.00 N ATOM 0 H GLN A 115 111.396 -3.695 -2.343 1.00 0.00 H new ATOM 0 HA GLN A 115 112.523 -2.177 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.804 -1.051 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.661 -2.298 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.640 -1.614 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.154 -0.745 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.747 -0.698 -0.153 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.686 1.058 -0.333 1.00 0.00 H new ATOM 1834 N THR A 116 112.007 -4.176 1.442 1.00 0.00 N ATOM 1835 CA THR A 116 111.606 -5.285 2.348 1.00 0.00 C ATOM 1836 C THR A 116 111.100 -4.721 3.669 1.00 0.00 C ATOM 1837 O THR A 116 111.588 -3.724 4.163 1.00 0.00 O ATOM 1838 CB THR A 116 112.811 -6.188 2.619 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.695 -6.145 1.508 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.339 -7.626 2.844 1.00 0.00 C ATOM 0 H THR A 116 112.892 -3.723 1.670 1.00 0.00 H new ATOM 0 HA THR A 116 110.812 -5.861 1.872 1.00 0.00 H new ATOM 0 HB THR A 116 113.331 -5.837 3.511 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.468 -6.722 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.200 -8.266 3.037 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.665 -7.658 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.815 -7.980 1.956 1.00 0.00 H new ATOM 1848 N TYR A 117 110.135 -5.369 4.252 1.00 0.00 N ATOM 1849 CA TYR A 117 109.603 -4.890 5.560 1.00 0.00 C ATOM 1850 C TYR A 117 109.574 -6.040 6.554 1.00 0.00 C ATOM 1851 O TYR A 117 109.387 -7.186 6.204 1.00 0.00 O ATOM 1852 CB TYR A 117 108.181 -4.336 5.425 1.00 0.00 C ATOM 1853 CG TYR A 117 107.947 -3.836 4.033 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.977 -4.734 2.976 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.686 -2.481 3.803 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.747 -4.287 1.671 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.456 -2.026 2.502 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.487 -2.931 1.433 1.00 0.00 C ATOM 1859 OH TYR A 117 107.259 -2.487 0.146 1.00 0.00 O ATOM 0 H TYR A 117 109.690 -6.209 3.882 1.00 0.00 H new ATOM 0 HA TYR A 117 110.260 -4.093 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.456 -5.114 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 117 108.029 -3.527 6.139 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.178 -5.779 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.662 -1.787 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.770 -4.986 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 117 107.255 -0.980 2.321 1.00 0.00 H new ATOM 0 HH TYR A 117 106.366 -2.086 0.092 1.00 0.00 H new ATOM 1869 N VAL A 118 109.732 -5.719 7.797 1.00 0.00 N ATOM 1870 CA VAL A 118 109.691 -6.753 8.864 1.00 0.00 C ATOM 1871 C VAL A 118 108.463 -6.517 9.714 1.00 0.00 C ATOM 1872 O VAL A 118 108.029 -5.396 9.910 1.00 0.00 O ATOM 1873 CB VAL A 118 110.915 -6.649 9.765 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.056 -7.935 10.584 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.168 -6.432 8.919 1.00 0.00 C ATOM 0 H VAL A 118 109.891 -4.768 8.130 1.00 0.00 H new ATOM 0 HA VAL A 118 109.671 -7.738 8.398 1.00 0.00 H new ATOM 0 HB VAL A 118 110.794 -5.802 10.440 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.932 -7.861 11.229 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.165 -8.076 11.196 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.172 -8.784 9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 118 113.039 -6.359 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.296 -7.272 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 118 112.065 -5.511 8.346 1.00 0.00 H new ATOM 1885 N TYR A 119 107.908 -7.563 10.228 1.00 0.00 N ATOM 1886 CA TYR A 119 106.703 -7.404 11.078 1.00 0.00 C ATOM 1887 C TYR A 119 106.758 -8.363 12.267 1.00 0.00 C ATOM 1888 O TYR A 119 106.623 -9.564 12.130 1.00 0.00 O ATOM 1889 CB TYR A 119 105.452 -7.683 10.246 1.00 0.00 C ATOM 1890 CG TYR A 119 104.362 -6.718 10.639 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.613 -6.961 11.790 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.096 -5.592 9.852 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.591 -6.079 12.160 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.077 -4.706 10.221 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.323 -4.951 11.375 1.00 0.00 C ATOM 1896 OH TYR A 119 101.315 -4.082 11.735 1.00 0.00 O ATOM 0 H TYR A 119 108.232 -8.522 10.100 1.00 0.00 H new ATOM 0 HA TYR A 119 106.670 -6.382 11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.678 -7.581 9.185 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.119 -8.709 10.404 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.822 -7.830 12.396 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.677 -5.407 8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.010 -6.268 13.050 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.873 -3.835 9.616 1.00 0.00 H new ATOM 0 HH TYR A 119 101.264 -3.352 11.083 1.00 0.00 H new ATOM 1906 N GLU A 120 106.940 -7.820 13.434 1.00 0.00 N ATOM 1907 CA GLU A 120 106.987 -8.647 14.675 1.00 0.00 C ATOM 1908 C GLU A 120 107.898 -9.856 14.497 1.00 0.00 C ATOM 1909 O GLU A 120 107.819 -10.816 15.237 1.00 0.00 O ATOM 1910 CB GLU A 120 105.575 -9.117 15.030 1.00 0.00 C ATOM 1911 CG GLU A 120 104.673 -7.903 15.254 1.00 0.00 C ATOM 1912 CD GLU A 120 104.844 -7.395 16.687 1.00 0.00 C ATOM 1913 OE1 GLU A 120 105.775 -7.835 17.342 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.043 -6.576 17.104 1.00 0.00 O ATOM 0 H GLU A 120 107.061 -6.819 13.587 1.00 0.00 H new ATOM 0 HA GLU A 120 107.388 -8.033 15.481 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.175 -9.737 14.228 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.601 -9.734 15.928 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.925 -7.114 14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.632 -8.172 15.075 1.00 0.00 H new ATOM 1921 N GLY A 121 108.765 -9.818 13.535 1.00 0.00 N ATOM 1922 CA GLY A 121 109.688 -10.967 13.323 1.00 0.00 C ATOM 1923 C GLY A 121 109.343 -11.648 12.009 1.00 0.00 C ATOM 1924 O GLY A 121 109.568 -12.829 11.828 1.00 0.00 O ATOM 0 H GLY A 121 108.879 -9.042 12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.721 -10.621 13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.602 -11.675 14.147 1.00 0.00 H new ATOM 1928 N VAL A 122 108.815 -10.905 11.080 1.00 0.00 N ATOM 1929 CA VAL A 122 108.470 -11.485 9.769 1.00 0.00 C ATOM 1930 C VAL A 122 109.180 -10.671 8.718 1.00 0.00 C ATOM 1931 O VAL A 122 109.844 -9.704 9.021 1.00 0.00 O ATOM 1932 CB VAL A 122 106.964 -11.436 9.536 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.587 -10.182 8.746 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.532 -12.677 8.760 1.00 0.00 C ATOM 0 H VAL A 122 108.608 -9.911 11.180 1.00 0.00 H new ATOM 0 HA VAL A 122 108.776 -12.530 9.727 1.00 0.00 H new ATOM 0 HB VAL A 122 106.457 -11.408 10.501 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.509 -10.162 8.588 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.888 -9.296 9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.095 -10.193 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.456 -12.645 8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.048 -12.704 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.783 -13.570 9.333 1.00 0.00 H new ATOM 1944 N GLU A 123 109.059 -11.042 7.494 1.00 0.00 N ATOM 1945 CA GLU A 123 109.755 -10.254 6.450 1.00 0.00 C ATOM 1946 C GLU A 123 109.046 -10.369 5.099 1.00 0.00 C ATOM 1947 O GLU A 123 108.909 -11.440 4.542 1.00 0.00 O ATOM 1948 CB GLU A 123 111.193 -10.758 6.307 1.00 0.00 C ATOM 1949 CG GLU A 123 112.041 -10.228 7.466 1.00 0.00 C ATOM 1950 CD GLU A 123 113.521 -10.477 7.169 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.194 -11.017 8.031 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.956 -10.124 6.086 1.00 0.00 O ATOM 0 H GLU A 123 108.519 -11.843 7.165 1.00 0.00 H new ATOM 0 HA GLU A 123 109.748 -9.207 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.208 -11.848 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.612 -10.428 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.861 -9.162 7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.757 -10.723 8.395 1.00 0.00 H new ATOM 1959 N ALA A 124 108.628 -9.258 4.556 1.00 0.00 N ATOM 1960 CA ALA A 124 107.963 -9.268 3.222 1.00 0.00 C ATOM 1961 C ALA A 124 108.871 -8.527 2.239 1.00 0.00 C ATOM 1962 O ALA A 124 109.557 -7.598 2.614 1.00 0.00 O ATOM 1963 CB ALA A 124 106.602 -8.568 3.309 1.00 0.00 C ATOM 0 H ALA A 124 108.720 -8.336 4.983 1.00 0.00 H new ATOM 0 HA ALA A 124 107.799 -10.292 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.123 -8.580 2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.970 -9.089 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.743 -7.536 3.631 1.00 0.00 H new ATOM 1969 N LYS A 125 108.906 -8.929 0.996 1.00 0.00 N ATOM 1970 CA LYS A 125 109.804 -8.231 0.032 1.00 0.00 C ATOM 1971 C LYS A 125 109.030 -7.749 -1.194 1.00 0.00 C ATOM 1972 O LYS A 125 108.176 -8.434 -1.721 1.00 0.00 O ATOM 1973 CB LYS A 125 110.908 -9.186 -0.422 1.00 0.00 C ATOM 1974 CG LYS A 125 112.079 -8.379 -0.993 1.00 0.00 C ATOM 1975 CD LYS A 125 112.921 -9.264 -1.916 1.00 0.00 C ATOM 1976 CE LYS A 125 113.838 -10.156 -1.075 1.00 0.00 C ATOM 1977 NZ LYS A 125 115.087 -9.413 -0.746 1.00 0.00 N ATOM 0 H LYS A 125 108.360 -9.700 0.611 1.00 0.00 H new ATOM 0 HA LYS A 125 110.234 -7.366 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.246 -9.793 0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.523 -9.872 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.703 -7.517 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.696 -7.994 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 125 112.271 -9.878 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.515 -8.645 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.330 -10.458 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 125 114.078 -11.068 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 115.711 -10.018 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.574 -9.146 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.849 -8.555 -0.208 1.00 0.00 H new ATOM 1991 N ARG A 126 109.353 -6.573 -1.661 1.00 0.00 N ATOM 1992 CA ARG A 126 108.678 -6.020 -2.871 1.00 0.00 C ATOM 1993 C ARG A 126 109.767 -5.549 -3.840 1.00 0.00 C ATOM 1994 O ARG A 126 110.512 -4.637 -3.544 1.00 0.00 O ATOM 1995 CB ARG A 126 107.788 -4.838 -2.469 1.00 0.00 C ATOM 1996 CG ARG A 126 106.317 -5.263 -2.506 1.00 0.00 C ATOM 1997 CD ARG A 126 105.427 -4.043 -2.262 1.00 0.00 C ATOM 1998 NE ARG A 126 104.000 -4.422 -2.464 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.540 -4.612 -3.671 1.00 0.00 C ATOM 2000 NH1 ARG A 126 102.290 -4.943 -3.849 1.00 0.00 N ATOM 2001 NH2 ARG A 126 104.331 -4.468 -4.699 1.00 0.00 N ATOM 0 H ARG A 126 110.063 -5.966 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 126 108.053 -6.778 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.052 -4.495 -1.469 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.952 -4.000 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.081 -5.711 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.128 -6.022 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.575 -3.668 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.701 -3.238 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 126 103.383 -4.533 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 126 101.672 -5.053 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 126 101.931 -5.091 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 126 105.307 -4.207 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.973 -4.616 -5.643 1.00 0.00 H new ATOM 2015 N ILE A 127 109.889 -6.175 -4.981 1.00 0.00 N ATOM 2016 CA ILE A 127 110.960 -5.766 -5.935 1.00 0.00 C ATOM 2017 C ILE A 127 110.357 -5.117 -7.181 1.00 0.00 C ATOM 2018 O ILE A 127 109.553 -5.705 -7.876 1.00 0.00 O ATOM 2019 CB ILE A 127 111.758 -7.000 -6.358 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.121 -7.833 -5.124 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.040 -6.560 -7.070 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.302 -9.295 -5.534 1.00 0.00 C ATOM 0 H ILE A 127 109.298 -6.946 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 127 111.609 -5.045 -5.438 1.00 0.00 H new ATOM 0 HB ILE A 127 111.153 -7.604 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.038 -7.454 -4.673 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.337 -7.749 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.609 -7.439 -7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.783 -5.974 -7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.642 -5.953 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.560 -9.889 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.374 -9.669 -5.966 1.00 0.00 H new ATOM 0 HD13 ILE A 127 113.101 -9.370 -6.271 1.00 0.00 H new ATOM 2034 N PHE A 128 110.760 -3.910 -7.476 1.00 0.00 N ATOM 2035 CA PHE A 128 110.233 -3.219 -8.688 1.00 0.00 C ATOM 2036 C PHE A 128 111.291 -3.245 -9.794 1.00 0.00 C ATOM 2037 O PHE A 128 112.402 -3.692 -9.596 1.00 0.00 O ATOM 2038 CB PHE A 128 109.915 -1.750 -8.372 1.00 0.00 C ATOM 2039 CG PHE A 128 109.099 -1.629 -7.106 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.361 -2.715 -6.653 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.074 -0.422 -6.397 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.591 -2.610 -5.490 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.307 -0.311 -5.231 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.564 -1.407 -4.777 1.00 0.00 C ATOM 0 H PHE A 128 111.432 -3.372 -6.929 1.00 0.00 H new ATOM 0 HA PHE A 128 109.327 -3.734 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.843 -1.189 -8.265 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.369 -1.306 -9.204 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.382 -3.645 -7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.646 0.423 -6.749 1.00 0.00 H new ATOM 0 HE1 PHE A 128 107.018 -3.457 -5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.289 0.619 -4.682 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.971 -1.324 -3.878 1.00 0.00 H new ATOM 2054 N LYS A 129 110.946 -2.745 -10.952 1.00 0.00 N ATOM 2055 CA LYS A 129 111.912 -2.715 -12.086 1.00 0.00 C ATOM 2056 C LYS A 129 111.402 -1.741 -13.151 1.00 0.00 C ATOM 2057 O LYS A 129 110.217 -1.503 -13.271 1.00 0.00 O ATOM 2058 CB LYS A 129 112.039 -4.114 -12.692 1.00 0.00 C ATOM 2059 CG LYS A 129 112.812 -4.032 -14.010 1.00 0.00 C ATOM 2060 CD LYS A 129 113.475 -5.380 -14.300 1.00 0.00 C ATOM 2061 CE LYS A 129 114.122 -5.345 -15.686 1.00 0.00 C ATOM 2062 NZ LYS A 129 115.500 -4.791 -15.578 1.00 0.00 N ATOM 0 H LYS A 129 110.028 -2.353 -11.161 1.00 0.00 H new ATOM 0 HA LYS A 129 112.889 -2.391 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.554 -4.777 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 129 111.050 -4.538 -12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.137 -3.765 -14.823 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.568 -3.248 -13.952 1.00 0.00 H new ATOM 0 HD2 LYS A 129 114.227 -5.598 -13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.735 -6.179 -14.253 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.155 -6.349 -16.109 1.00 0.00 H new ATOM 0 HE3 LYS A 129 113.525 -4.733 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 115.964 -4.830 -16.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 115.453 -3.803 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 116.047 -5.352 -14.894 1.00 0.00 H new ATOM 2076 N LYS A 130 112.289 -1.170 -13.919 1.00 0.00 N ATOM 2077 CA LYS A 130 111.855 -0.204 -14.969 1.00 0.00 C ATOM 2078 C LYS A 130 110.691 -0.797 -15.764 1.00 0.00 C ATOM 2079 O LYS A 130 110.733 -1.933 -16.193 1.00 0.00 O ATOM 2080 CB LYS A 130 113.025 0.079 -15.914 1.00 0.00 C ATOM 2081 CG LYS A 130 113.748 -1.229 -16.239 1.00 0.00 C ATOM 2082 CD LYS A 130 114.490 -1.086 -17.570 1.00 0.00 C ATOM 2083 CE LYS A 130 115.599 -2.137 -17.653 1.00 0.00 C ATOM 2084 NZ LYS A 130 116.762 -1.696 -16.832 1.00 0.00 N ATOM 0 H LYS A 130 113.295 -1.330 -13.865 1.00 0.00 H new ATOM 0 HA LYS A 130 111.534 0.724 -14.496 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.661 0.543 -16.831 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.717 0.784 -15.452 1.00 0.00 H new ATOM 0 HG2 LYS A 130 114.451 -1.476 -15.443 1.00 0.00 H new ATOM 0 HG3 LYS A 130 113.031 -2.048 -16.296 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.795 -1.209 -18.401 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.915 -0.086 -17.656 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.231 -3.099 -17.295 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.904 -2.278 -18.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 117.558 -1.457 -17.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.496 -0.859 -16.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 117.045 -2.464 -16.190 1.00 0.00 H new ATOM 2098 N ASP A 131 109.649 -0.035 -15.962 1.00 0.00 N ATOM 2099 CA ASP A 131 108.481 -0.556 -16.728 1.00 0.00 C ATOM 2100 C ASP A 131 108.857 -0.682 -18.205 1.00 0.00 C ATOM 2101 O ASP A 131 110.042 -0.678 -18.497 1.00 0.00 O ATOM 2102 CB ASP A 131 107.304 0.411 -16.581 1.00 0.00 C ATOM 2103 CG ASP A 131 107.766 1.832 -16.908 1.00 0.00 C ATOM 2104 OD1 ASP A 131 108.904 2.149 -16.603 1.00 0.00 O ATOM 2105 OD2 ASP A 131 106.973 2.580 -17.457 1.00 0.00 O ATOM 0 H ASP A 131 109.556 0.924 -15.627 1.00 0.00 H new ATOM 0 HA ASP A 131 108.198 -1.535 -16.341 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.494 0.118 -17.249 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.911 0.370 -15.565 1.00 0.00 H new