USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 649 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 53 GLN : amide:sc= -3.59 K(o=-3.6,f=-7.1!) USER MOD Set 1.2: A 127 MET CE :methyl -152:sc= 0 (180deg=-0.88) USER MOD Set 2.1: A 105 ASN : amide:sc= -7.1! C(o=-21!,f=-24!) USER MOD Set 2.2: A 109 MET CE :methyl -115:sc= -13.5! (180deg=-23.3!) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -2.54 K(o=-3.1,f=-4!) USER MOD Set 3.2: A 58 SER OG : rot 140:sc= 0 USER MOD Set 3.3: A 69 TYR OH : rot 70:sc= -0.524 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -3.44 X(o=-3.4,f=-3.4!) USER MOD Single : A 42 GLN : amide:sc= -0.24 K(o=-0.24,f=-1.3!) USER MOD Single : A 46 SER OG : rot 82:sc= 0.447 USER MOD Single : A 59 SER OG : rot 127:sc= 0.351 USER MOD Single : A 60 GLN : amide:sc=-0.00642 X(o=-0.0064,f=-0.3) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.083) USER MOD Single : A 70 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.7!) USER MOD Single : A 71 ASN : amide:sc= -0.25 K(o=-0.25,f=-2!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.0653 F(o=-0.66,f=-0.065) USER MOD Single : A 76 THR OG1 : rot 75:sc= -2.78! USER MOD Single : A 77 GLN : amide:sc= -0.197 K(o=-0.2,f=-2!) USER MOD Single : A 79 THR OG1 : rot -80:sc= -0.58 USER MOD Single : A 82 MET CE :methyl -161:sc=-0.00863 (180deg=-0.0231) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.0259 F(o=-0.53,f=-0.026) USER MOD Single : A 87 HIS : no HD1:sc= -2.07 K(o=-2.1,f=-5.5!) USER MOD Single : A 103 HIS : no HD1:sc= -4.63 K(o=-4.6,f=-5.9!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 60:sc= 0.207 USER MOD Single : A 117 SER OG : rot 104:sc= 0.194 USER MOD Single : A 119 MET CE :methyl -129:sc= -1.34 (180deg=-2.6) USER MOD Single : A 124 GLN : amide:sc= -0.983 X(o=-0.98,f=-1.3!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.525 10.872 -7.494 1.00 0.00 N ATOM 44 CA THR A 32 -15.747 10.685 -6.719 1.00 0.00 C ATOM 45 C THR A 32 -15.452 9.999 -5.390 1.00 0.00 C ATOM 46 O THR A 32 -14.393 9.397 -5.213 1.00 0.00 O ATOM 47 CB THR A 32 -16.760 9.861 -7.514 1.00 0.00 C ATOM 48 OG1 THR A 32 -17.948 9.669 -6.766 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.242 8.495 -7.910 1.00 0.00 C ATOM 0 HA THR A 32 -16.168 11.669 -6.514 1.00 0.00 H new ATOM 0 HB THR A 32 -16.952 10.436 -8.420 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.584 9.141 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.010 7.963 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.353 8.609 -8.530 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.989 7.928 -7.014 1.00 0.00 H new ATOM 57 N SER A 33 -16.397 10.091 -4.460 1.00 0.00 N ATOM 58 CA SER A 33 -16.239 9.474 -3.149 1.00 0.00 C ATOM 59 C SER A 33 -16.066 7.965 -3.283 1.00 0.00 C ATOM 60 O SER A 33 -15.291 7.350 -2.550 1.00 0.00 O ATOM 61 CB SER A 33 -17.448 9.785 -2.264 1.00 0.00 C ATOM 62 OG SER A 33 -18.646 9.305 -2.849 1.00 0.00 O ATOM 0 H SER A 33 -17.279 10.586 -4.590 1.00 0.00 H new ATOM 0 HA SER A 33 -15.345 9.888 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.311 9.330 -1.283 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.521 10.861 -2.109 1.00 0.00 H new ATOM 0 HG SER A 33 -19.403 9.515 -2.263 1.00 0.00 H new ATOM 68 N SER A 34 -16.790 7.376 -4.230 1.00 0.00 N ATOM 69 CA SER A 34 -16.711 5.940 -4.467 1.00 0.00 C ATOM 70 C SER A 34 -15.328 5.558 -4.980 1.00 0.00 C ATOM 71 O SER A 34 -14.842 4.456 -4.728 1.00 0.00 O ATOM 72 CB SER A 34 -17.780 5.507 -5.473 1.00 0.00 C ATOM 73 OG SER A 34 -19.072 5.900 -5.045 1.00 0.00 O ATOM 0 H SER A 34 -17.437 7.871 -4.844 1.00 0.00 H new ATOM 0 HA SER A 34 -16.887 5.427 -3.522 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.567 5.947 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.749 4.425 -5.598 1.00 0.00 H new ATOM 0 HG SER A 34 -19.737 5.613 -5.706 1.00 0.00 H new ATOM 79 N GLN A 35 -14.698 6.481 -5.700 1.00 0.00 N ATOM 80 CA GLN A 35 -13.368 6.248 -6.248 1.00 0.00 C ATOM 81 C GLN A 35 -12.306 6.389 -5.165 1.00 0.00 C ATOM 82 O GLN A 35 -11.303 5.676 -5.170 1.00 0.00 O ATOM 83 CB GLN A 35 -13.089 7.222 -7.391 1.00 0.00 C ATOM 84 CG GLN A 35 -11.691 7.097 -7.977 1.00 0.00 C ATOM 85 CD GLN A 35 -11.701 6.959 -9.487 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.222 5.966 -10.034 1.00 0.00 O ATOM 87 NE2 GLN A 35 -12.249 7.958 -10.169 1.00 0.00 N ATOM 0 H GLN A 35 -15.088 7.398 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.330 5.230 -6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.820 7.058 -8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.232 8.241 -7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.105 7.974 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.194 6.231 -7.540 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.634 8.762 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.285 7.921 -11.188 1.00 0.00 H new ATOM 96 N LEU A 36 -12.538 7.306 -4.229 1.00 0.00 N ATOM 97 CA LEU A 36 -11.601 7.527 -3.133 1.00 0.00 C ATOM 98 C LEU A 36 -11.301 6.207 -2.431 1.00 0.00 C ATOM 99 O LEU A 36 -10.142 5.850 -2.214 1.00 0.00 O ATOM 100 CB LEU A 36 -12.177 8.537 -2.136 1.00 0.00 C ATOM 101 CG LEU A 36 -11.591 9.948 -2.229 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.145 9.958 -1.756 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.695 10.477 -3.653 1.00 0.00 C ATOM 0 H LEU A 36 -13.363 7.905 -4.208 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.674 7.931 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.255 8.598 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.016 8.159 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.168 10.604 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.745 10.969 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.099 9.624 -0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.553 9.288 -2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.273 11.481 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.144 9.820 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.742 10.509 -3.954 1.00 0.00 H new ATOM 115 N LEU A 37 -12.360 5.479 -2.097 1.00 0.00 N ATOM 116 CA LEU A 37 -12.221 4.189 -1.441 1.00 0.00 C ATOM 117 C LEU A 37 -11.863 3.113 -2.461 1.00 0.00 C ATOM 118 O LEU A 37 -11.228 2.114 -2.125 1.00 0.00 O ATOM 119 CB LEU A 37 -13.513 3.818 -0.710 1.00 0.00 C ATOM 120 CG LEU A 37 -14.721 3.565 -1.613 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.836 2.087 -1.949 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.996 4.064 -0.951 1.00 0.00 C ATOM 0 H LEU A 37 -13.324 5.762 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.417 4.258 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.331 2.923 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.761 4.619 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.578 4.117 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.701 1.926 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.934 1.760 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.956 1.513 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.845 3.876 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.145 3.540 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.913 5.134 -0.763 1.00 0.00 H new ATOM 134 N SER A 38 -12.264 3.327 -3.715 1.00 0.00 N ATOM 135 CA SER A 38 -11.971 2.375 -4.778 1.00 0.00 C ATOM 136 C SER A 38 -10.466 2.193 -4.929 1.00 0.00 C ATOM 137 O SER A 38 -9.989 1.109 -5.266 1.00 0.00 O ATOM 138 CB SER A 38 -12.575 2.849 -6.102 1.00 0.00 C ATOM 139 OG SER A 38 -12.455 1.853 -7.103 1.00 0.00 O ATOM 0 H SER A 38 -12.790 4.148 -4.015 1.00 0.00 H new ATOM 0 HA SER A 38 -12.416 1.416 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.626 3.099 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.073 3.760 -6.429 1.00 0.00 H new ATOM 0 HG SER A 38 -12.850 2.180 -7.938 1.00 0.00 H new ATOM 145 N VAL A 39 -9.721 3.264 -4.669 1.00 0.00 N ATOM 146 CA VAL A 39 -8.270 3.224 -4.766 1.00 0.00 C ATOM 147 C VAL A 39 -7.666 2.545 -3.543 1.00 0.00 C ATOM 148 O VAL A 39 -6.866 1.618 -3.670 1.00 0.00 O ATOM 149 CB VAL A 39 -7.672 4.636 -4.909 1.00 0.00 C ATOM 150 CG1 VAL A 39 -6.175 4.558 -5.177 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.382 5.405 -6.014 1.00 0.00 C ATOM 0 H VAL A 39 -10.101 4.169 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.025 2.650 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.821 5.172 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.770 5.565 -5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.683 4.048 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.999 4.005 -6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.947 6.401 -6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.266 4.874 -6.959 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.442 5.492 -5.774 1.00 0.00 H new ATOM 161 N ARG A 40 -8.059 3.001 -2.357 1.00 0.00 N ATOM 162 CA ARG A 40 -7.556 2.417 -1.118 1.00 0.00 C ATOM 163 C ARG A 40 -7.897 0.926 -1.058 1.00 0.00 C ATOM 164 O ARG A 40 -7.242 0.157 -0.354 1.00 0.00 O ATOM 165 CB ARG A 40 -8.129 3.167 0.099 1.00 0.00 C ATOM 166 CG ARG A 40 -8.693 2.271 1.195 1.00 0.00 C ATOM 167 CD ARG A 40 -10.072 1.744 0.831 1.00 0.00 C ATOM 168 NE ARG A 40 -10.979 1.748 1.978 1.00 0.00 N ATOM 169 CZ ARG A 40 -11.500 0.651 2.528 1.00 0.00 C ATOM 170 NH1 ARG A 40 -11.212 -0.552 2.046 1.00 0.00 N ATOM 171 NH2 ARG A 40 -12.313 0.760 3.570 1.00 0.00 N ATOM 0 H ARG A 40 -8.719 3.768 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.471 2.517 -1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.343 3.790 0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.917 3.838 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.016 1.434 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.751 2.830 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.494 2.354 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.982 0.729 0.443 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.230 2.650 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.586 -0.644 1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.617 -1.384 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.538 1.681 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.714 -0.077 3.994 1.00 0.00 H new ATOM 185 N HIS A 41 -8.923 0.529 -1.806 1.00 0.00 N ATOM 186 CA HIS A 41 -9.350 -0.863 -1.846 1.00 0.00 C ATOM 187 C HIS A 41 -8.417 -1.689 -2.728 1.00 0.00 C ATOM 188 O HIS A 41 -8.182 -2.869 -2.467 1.00 0.00 O ATOM 189 CB HIS A 41 -10.785 -0.960 -2.371 1.00 0.00 C ATOM 190 CG HIS A 41 -11.817 -1.074 -1.292 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.357 -2.277 -0.892 1.00 0.00 N ATOM 192 CD2 HIS A 41 -12.413 -0.125 -0.530 1.00 0.00 C ATOM 193 CE1 HIS A 41 -13.242 -2.064 0.066 1.00 0.00 C ATOM 194 NE2 HIS A 41 -13.294 -0.767 0.304 1.00 0.00 N ATOM 0 H HIS A 41 -9.474 1.155 -2.393 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.313 -1.262 -0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.001 -0.079 -2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.864 -1.826 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.229 0.938 -0.571 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.824 -2.822 0.569 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.892 -0.315 0.996 1.00 0.00 H new ATOM 203 N GLN A 42 -7.891 -1.061 -3.777 1.00 0.00 N ATOM 204 CA GLN A 42 -6.987 -1.739 -4.700 1.00 0.00 C ATOM 205 C GLN A 42 -5.562 -1.771 -4.153 1.00 0.00 C ATOM 206 O GLN A 42 -4.794 -2.688 -4.446 1.00 0.00 O ATOM 207 CB GLN A 42 -7.017 -1.055 -6.073 1.00 0.00 C ATOM 208 CG GLN A 42 -6.281 0.278 -6.126 1.00 0.00 C ATOM 209 CD GLN A 42 -5.259 0.337 -7.244 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.704 -0.685 -7.648 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.005 1.538 -7.751 1.00 0.00 N ATOM 0 H GLN A 42 -8.076 -0.085 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.328 -2.768 -4.811 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.579 -1.728 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.055 -0.895 -6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.004 1.083 -6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.781 0.451 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.488 2.358 -7.386 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.327 1.640 -8.506 1.00 0.00 H new ATOM 220 N LEU A 43 -5.214 -0.762 -3.360 1.00 0.00 N ATOM 221 CA LEU A 43 -3.881 -0.674 -2.777 1.00 0.00 C ATOM 222 C LEU A 43 -3.746 -1.619 -1.588 1.00 0.00 C ATOM 223 O LEU A 43 -2.897 -2.510 -1.581 1.00 0.00 O ATOM 224 CB LEU A 43 -3.593 0.768 -2.335 1.00 0.00 C ATOM 225 CG LEU A 43 -2.166 1.292 -2.584 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.642 2.006 -1.349 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.214 0.172 -2.985 1.00 0.00 C ATOM 0 H LEU A 43 -5.837 0.005 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.156 -0.968 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.293 1.428 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.804 0.846 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.216 1.998 -3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.633 2.371 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.293 2.847 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.624 1.313 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.218 0.583 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.171 -0.572 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.571 -0.298 -3.902 1.00 0.00 H new ATOM 239 N ALA A 44 -4.590 -1.413 -0.582 1.00 0.00 N ATOM 240 CA ALA A 44 -4.572 -2.241 0.619 1.00 0.00 C ATOM 241 C ALA A 44 -4.680 -3.723 0.274 1.00 0.00 C ATOM 242 O ALA A 44 -4.062 -4.568 0.922 1.00 0.00 O ATOM 243 CB ALA A 44 -5.700 -1.831 1.555 1.00 0.00 C ATOM 0 H ALA A 44 -5.297 -0.678 -0.575 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.618 -2.085 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.677 -2.456 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.575 -0.786 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.657 -1.957 1.049 1.00 0.00 H new ATOM 249 N GLU A 45 -5.468 -4.033 -0.750 1.00 0.00 N ATOM 250 CA GLU A 45 -5.655 -5.414 -1.178 1.00 0.00 C ATOM 251 C GLU A 45 -4.330 -6.034 -1.613 1.00 0.00 C ATOM 252 O GLU A 45 -3.985 -7.140 -1.195 1.00 0.00 O ATOM 253 CB GLU A 45 -6.667 -5.482 -2.325 1.00 0.00 C ATOM 254 CG GLU A 45 -8.071 -5.850 -1.874 1.00 0.00 C ATOM 255 CD GLU A 45 -8.775 -6.771 -2.852 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.138 -7.738 -3.321 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.963 -6.526 -3.148 1.00 0.00 O ATOM 0 H GLU A 45 -5.987 -3.347 -1.298 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.039 -5.982 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.698 -4.516 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.326 -6.214 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.020 -6.333 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.659 -4.941 -1.750 1.00 0.00 H new ATOM 264 N SER A 46 -3.593 -5.316 -2.454 1.00 0.00 N ATOM 265 CA SER A 46 -2.307 -5.798 -2.946 1.00 0.00 C ATOM 266 C SER A 46 -1.216 -5.623 -1.893 1.00 0.00 C ATOM 267 O SER A 46 -0.230 -6.360 -1.880 1.00 0.00 O ATOM 268 CB SER A 46 -1.917 -5.057 -4.226 1.00 0.00 C ATOM 269 OG SER A 46 -3.025 -4.935 -5.102 1.00 0.00 O ATOM 0 H SER A 46 -3.864 -4.399 -2.809 1.00 0.00 H new ATOM 0 HA SER A 46 -2.408 -6.861 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.537 -4.067 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.110 -5.591 -4.728 1.00 0.00 H new ATOM 0 HG SER A 46 -3.575 -4.171 -4.829 1.00 0.00 H new ATOM 275 N ALA A 47 -1.397 -4.644 -1.012 1.00 0.00 N ATOM 276 CA ALA A 47 -0.426 -4.375 0.041 1.00 0.00 C ATOM 277 C ALA A 47 -0.410 -5.499 1.076 1.00 0.00 C ATOM 278 O ALA A 47 -0.920 -6.589 0.825 1.00 0.00 O ATOM 279 CB ALA A 47 -0.732 -3.036 0.704 1.00 0.00 C ATOM 0 H ALA A 47 -2.207 -4.024 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 47 0.565 -4.326 -0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.001 -2.844 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.682 -2.242 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.732 -3.065 1.138 1.00 0.00 H new ATOM 285 N GLY A 48 0.181 -5.212 2.236 1.00 0.00 N ATOM 286 CA GLY A 48 0.280 -6.180 3.328 1.00 0.00 C ATOM 287 C GLY A 48 0.449 -7.624 2.877 1.00 0.00 C ATOM 288 O GLY A 48 -0.494 -8.250 2.393 1.00 0.00 O ATOM 0 H GLY A 48 0.602 -4.307 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.125 -5.909 3.962 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.617 -6.107 3.944 1.00 0.00 H new ATOM 292 N LEU A 49 1.657 -8.159 3.058 1.00 0.00 N ATOM 293 CA LEU A 49 1.953 -9.541 2.684 1.00 0.00 C ATOM 294 C LEU A 49 0.949 -10.505 3.314 1.00 0.00 C ATOM 295 O LEU A 49 0.422 -10.244 4.395 1.00 0.00 O ATOM 296 CB LEU A 49 3.371 -9.929 3.124 1.00 0.00 C ATOM 297 CG LEU A 49 4.516 -9.281 2.339 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.232 -9.303 0.844 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.750 -7.860 2.821 1.00 0.00 C ATOM 0 H LEU A 49 2.447 -7.655 3.462 1.00 0.00 H new ATOM 0 HA LEU A 49 1.880 -9.611 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.487 -9.672 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.471 -11.012 3.047 1.00 0.00 H new ATOM 0 HG LEU A 49 5.422 -9.860 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.060 -8.837 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.119 -10.334 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.313 -8.753 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.566 -7.413 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.843 -7.273 2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.008 -7.873 3.880 1.00 0.00 H new ATOM 311 N PRO A 50 0.675 -11.638 2.646 1.00 0.00 N ATOM 312 CA PRO A 50 -0.267 -12.641 3.151 1.00 0.00 C ATOM 313 C PRO A 50 0.178 -13.228 4.491 1.00 0.00 C ATOM 314 O PRO A 50 -0.301 -12.812 5.547 1.00 0.00 O ATOM 315 CB PRO A 50 -0.280 -13.719 2.058 1.00 0.00 C ATOM 316 CG PRO A 50 0.974 -13.502 1.279 1.00 0.00 C ATOM 317 CD PRO A 50 1.259 -12.030 1.352 1.00 0.00 C ATOM 0 HA PRO A 50 -1.251 -12.214 3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.306 -14.719 2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -1.160 -13.624 1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.798 -14.080 1.698 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.851 -13.825 0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.329 -11.825 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.801 -11.490 0.523 1.00 0.00 H new ATOM 325 N ARG A 51 1.096 -14.194 4.449 1.00 0.00 N ATOM 326 CA ARG A 51 1.594 -14.824 5.667 1.00 0.00 C ATOM 327 C ARG A 51 3.050 -15.257 5.508 1.00 0.00 C ATOM 328 O ARG A 51 3.949 -14.681 6.120 1.00 0.00 O ATOM 329 CB ARG A 51 0.727 -16.030 6.032 1.00 0.00 C ATOM 330 CG ARG A 51 0.448 -16.149 7.522 1.00 0.00 C ATOM 331 CD ARG A 51 1.450 -17.066 8.204 1.00 0.00 C ATOM 332 NE ARG A 51 1.530 -16.817 9.642 1.00 0.00 N ATOM 333 CZ ARG A 51 2.090 -17.658 10.509 1.00 0.00 C ATOM 334 NH1 ARG A 51 2.619 -18.800 10.090 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.122 -17.355 11.800 1.00 0.00 N ATOM 0 H ARG A 51 1.507 -14.554 3.588 1.00 0.00 H new ATOM 0 HA ARG A 51 1.542 -14.089 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.220 -15.961 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.221 -16.939 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.486 -15.161 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.561 -16.532 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.167 -18.104 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.434 -16.925 7.756 1.00 0.00 H new ATOM 0 HE ARG A 51 1.134 -15.949 10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.598 -19.038 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.047 -19.440 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.718 -16.478 12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.551 -17.999 12.465 1.00 0.00 H new ATOM 349 N ASP A 52 3.273 -16.278 4.685 1.00 0.00 N ATOM 350 CA ASP A 52 4.618 -16.793 4.448 1.00 0.00 C ATOM 351 C ASP A 52 5.532 -15.711 3.881 1.00 0.00 C ATOM 352 O ASP A 52 6.741 -15.725 4.109 1.00 0.00 O ATOM 353 CB ASP A 52 4.567 -17.984 3.489 1.00 0.00 C ATOM 354 CG ASP A 52 3.889 -19.193 4.105 1.00 0.00 C ATOM 355 OD1 ASP A 52 2.642 -19.258 4.067 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.605 -20.076 4.623 1.00 0.00 O ATOM 0 H ASP A 52 2.539 -16.765 4.171 1.00 0.00 H new ATOM 0 HA ASP A 52 5.025 -17.118 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.035 -17.695 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.581 -18.251 3.192 1.00 0.00 H new ATOM 361 N GLN A 53 4.947 -14.776 3.139 1.00 0.00 N ATOM 362 CA GLN A 53 5.711 -13.688 2.537 1.00 0.00 C ATOM 363 C GLN A 53 6.509 -12.923 3.590 1.00 0.00 C ATOM 364 O GLN A 53 7.551 -12.339 3.289 1.00 0.00 O ATOM 365 CB GLN A 53 4.774 -12.732 1.797 1.00 0.00 C ATOM 366 CG GLN A 53 4.650 -13.030 0.311 1.00 0.00 C ATOM 367 CD GLN A 53 3.740 -14.208 0.027 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.850 -15.260 0.657 1.00 0.00 O ATOM 369 NE2 GLN A 53 2.832 -14.038 -0.928 1.00 0.00 N ATOM 0 H GLN A 53 3.947 -14.750 2.940 1.00 0.00 H new ATOM 0 HA GLN A 53 6.414 -14.124 1.828 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.785 -12.781 2.253 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.134 -11.711 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.267 -12.148 -0.202 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.639 -13.233 -0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.775 -13.149 -1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.192 -14.796 -1.164 1.00 0.00 H new ATOM 378 N HIS A 54 6.015 -12.929 4.824 1.00 0.00 N ATOM 379 CA HIS A 54 6.684 -12.234 5.918 1.00 0.00 C ATOM 380 C HIS A 54 7.689 -13.145 6.617 1.00 0.00 C ATOM 381 O HIS A 54 8.682 -12.678 7.175 1.00 0.00 O ATOM 382 CB HIS A 54 5.657 -11.721 6.928 1.00 0.00 C ATOM 383 CG HIS A 54 6.263 -10.944 8.056 1.00 0.00 C ATOM 384 ND1 HIS A 54 7.127 -11.501 8.975 1.00 0.00 N ATOM 385 CD2 HIS A 54 6.129 -9.643 8.409 1.00 0.00 C ATOM 386 CE1 HIS A 54 7.498 -10.578 9.844 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.907 -9.442 9.522 1.00 0.00 N ATOM 0 H HIS A 54 5.154 -13.407 5.091 1.00 0.00 H new ATOM 0 HA HIS A 54 7.225 -11.387 5.495 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.934 -11.090 6.410 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.106 -12.568 7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.523 -8.902 7.908 1.00 0.00 H new ATOM 0 HE1 HIS A 54 8.170 -10.727 10.676 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.012 -8.558 10.020 1.00 0.00 H new ATOM 396 N GLU A 55 7.422 -14.447 6.588 1.00 0.00 N ATOM 397 CA GLU A 55 8.300 -15.424 7.224 1.00 0.00 C ATOM 398 C GLU A 55 9.673 -15.462 6.556 1.00 0.00 C ATOM 399 O GLU A 55 10.646 -15.922 7.151 1.00 0.00 O ATOM 400 CB GLU A 55 7.662 -16.814 7.179 1.00 0.00 C ATOM 401 CG GLU A 55 6.814 -17.134 8.399 1.00 0.00 C ATOM 402 CD GLU A 55 7.560 -17.965 9.425 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.251 -18.924 9.023 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.452 -17.656 10.630 1.00 0.00 O ATOM 0 H GLU A 55 6.604 -14.850 6.131 1.00 0.00 H new ATOM 0 HA GLU A 55 8.438 -15.121 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.042 -16.891 6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.449 -17.563 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.483 -16.204 8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.919 -17.670 8.084 1.00 0.00 H new ATOM 411 N PHE A 56 9.748 -14.985 5.317 1.00 0.00 N ATOM 412 CA PHE A 56 11.007 -14.979 4.580 1.00 0.00 C ATOM 413 C PHE A 56 11.665 -13.600 4.625 1.00 0.00 C ATOM 414 O PHE A 56 12.851 -13.479 4.929 1.00 0.00 O ATOM 415 CB PHE A 56 10.768 -15.421 3.126 1.00 0.00 C ATOM 416 CG PHE A 56 11.493 -14.597 2.094 1.00 0.00 C ATOM 417 CD1 PHE A 56 12.879 -14.540 2.079 1.00 0.00 C ATOM 418 CD2 PHE A 56 10.787 -13.879 1.143 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.544 -13.781 1.135 1.00 0.00 C ATOM 420 CE2 PHE A 56 11.448 -13.119 0.196 1.00 0.00 C ATOM 421 CZ PHE A 56 12.827 -13.071 0.193 1.00 0.00 C ATOM 0 H PHE A 56 8.955 -14.599 4.804 1.00 0.00 H new ATOM 0 HA PHE A 56 11.687 -15.686 5.055 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.074 -16.462 3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.699 -15.381 2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.444 -15.095 2.813 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.708 -13.913 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.623 -13.743 1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.886 -12.564 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 56 13.345 -12.478 -0.546 1.00 0.00 H new ATOM 431 N VAL A 57 10.892 -12.568 4.308 1.00 0.00 N ATOM 432 CA VAL A 57 11.406 -11.202 4.297 1.00 0.00 C ATOM 433 C VAL A 57 11.789 -10.714 5.695 1.00 0.00 C ATOM 434 O VAL A 57 12.396 -9.653 5.838 1.00 0.00 O ATOM 435 CB VAL A 57 10.380 -10.225 3.687 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.128 -10.149 4.549 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.997 -8.846 3.505 1.00 0.00 C ATOM 0 H VAL A 57 9.907 -12.650 4.055 1.00 0.00 H new ATOM 0 HA VAL A 57 12.305 -11.221 3.680 1.00 0.00 H new ATOM 0 HB VAL A 57 10.091 -10.601 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.418 -9.454 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.674 -11.137 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.394 -9.801 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.258 -8.171 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.319 -8.461 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.856 -8.917 2.838 1.00 0.00 H new ATOM 447 N SER A 58 11.429 -11.476 6.726 1.00 0.00 N ATOM 448 CA SER A 58 11.740 -11.085 8.098 1.00 0.00 C ATOM 449 C SER A 58 12.594 -12.134 8.808 1.00 0.00 C ATOM 450 O SER A 58 13.502 -11.794 9.566 1.00 0.00 O ATOM 451 CB SER A 58 10.449 -10.851 8.884 1.00 0.00 C ATOM 452 OG SER A 58 10.726 -10.394 10.196 1.00 0.00 O ATOM 0 H SER A 58 10.926 -12.359 6.639 1.00 0.00 H new ATOM 0 HA SER A 58 12.315 -10.160 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.831 -10.120 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.876 -11.777 8.932 1.00 0.00 H new ATOM 0 HG SER A 58 10.082 -9.698 10.443 1.00 0.00 H new ATOM 458 N SER A 59 12.291 -13.407 8.575 1.00 0.00 N ATOM 459 CA SER A 59 13.028 -14.493 9.215 1.00 0.00 C ATOM 460 C SER A 59 14.231 -14.941 8.385 1.00 0.00 C ATOM 461 O SER A 59 15.057 -15.721 8.857 1.00 0.00 O ATOM 462 CB SER A 59 12.102 -15.684 9.466 1.00 0.00 C ATOM 463 OG SER A 59 10.748 -15.270 9.541 1.00 0.00 O ATOM 0 H SER A 59 11.544 -13.712 7.951 1.00 0.00 H new ATOM 0 HA SER A 59 13.404 -14.112 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.219 -16.414 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.386 -16.180 10.394 1.00 0.00 H new ATOM 0 HG SER A 59 10.208 -15.803 8.920 1.00 0.00 H new ATOM 469 N GLN A 60 14.329 -14.457 7.149 1.00 0.00 N ATOM 470 CA GLN A 60 15.439 -14.833 6.278 1.00 0.00 C ATOM 471 C GLN A 60 16.115 -13.606 5.672 1.00 0.00 C ATOM 472 O GLN A 60 17.312 -13.390 5.861 1.00 0.00 O ATOM 473 CB GLN A 60 14.947 -15.759 5.165 1.00 0.00 C ATOM 474 CG GLN A 60 14.405 -17.085 5.671 1.00 0.00 C ATOM 475 CD GLN A 60 15.499 -18.017 6.152 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.516 -18.197 5.482 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.295 -18.617 7.319 1.00 0.00 N ATOM 0 H GLN A 60 13.660 -13.810 6.731 1.00 0.00 H new ATOM 0 HA GLN A 60 16.175 -15.358 6.887 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.167 -15.250 4.599 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.768 -15.952 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.706 -16.900 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.843 -17.571 4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.437 -18.439 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.996 -19.256 7.693 1.00 0.00 H new ATOM 486 N ALA A 61 15.344 -12.811 4.937 1.00 0.00 N ATOM 487 CA ALA A 61 15.869 -11.609 4.293 1.00 0.00 C ATOM 488 C ALA A 61 16.725 -10.783 5.253 1.00 0.00 C ATOM 489 O ALA A 61 16.497 -10.788 6.462 1.00 0.00 O ATOM 490 CB ALA A 61 14.729 -10.766 3.743 1.00 0.00 C ATOM 0 H ALA A 61 14.351 -12.977 4.771 1.00 0.00 H new ATOM 0 HA ALA A 61 16.509 -11.926 3.469 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.134 -9.874 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.168 -11.346 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.067 -10.473 4.558 1.00 0.00 H new ATOM 496 N PRO A 62 17.725 -10.059 4.719 1.00 0.00 N ATOM 497 CA PRO A 62 18.618 -9.225 5.529 1.00 0.00 C ATOM 498 C PRO A 62 17.928 -7.966 6.042 1.00 0.00 C ATOM 499 O PRO A 62 16.905 -7.543 5.504 1.00 0.00 O ATOM 500 CB PRO A 62 19.739 -8.861 4.555 1.00 0.00 C ATOM 501 CG PRO A 62 19.100 -8.911 3.211 1.00 0.00 C ATOM 502 CD PRO A 62 18.063 -9.999 3.284 1.00 0.00 C ATOM 0 HA PRO A 62 18.963 -9.744 6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.141 -7.870 4.766 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.569 -9.564 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.644 -7.953 2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.837 -9.126 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.190 -9.762 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.454 -10.951 2.924 1.00 0.00 H new ATOM 510 N GLN A 63 18.495 -7.369 7.087 1.00 0.00 N ATOM 511 CA GLN A 63 17.937 -6.156 7.678 1.00 0.00 C ATOM 512 C GLN A 63 17.626 -5.114 6.606 1.00 0.00 C ATOM 513 O GLN A 63 16.639 -4.385 6.704 1.00 0.00 O ATOM 514 CB GLN A 63 18.909 -5.571 8.704 1.00 0.00 C ATOM 515 CG GLN A 63 18.342 -4.388 9.473 1.00 0.00 C ATOM 516 CD GLN A 63 17.969 -4.744 10.899 1.00 0.00 C ATOM 517 OE1 GLN A 63 18.797 -5.237 11.665 1.00 0.00 O ATOM 518 NE2 GLN A 63 16.716 -4.497 11.262 1.00 0.00 N ATOM 0 H GLN A 63 19.343 -7.707 7.543 1.00 0.00 H new ATOM 0 HA GLN A 63 17.006 -6.424 8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.192 -6.351 9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.820 -5.259 8.193 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.075 -3.581 9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.461 -4.011 8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.063 -4.087 10.594 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.407 -4.717 12.209 1.00 0.00 H new ATOM 527 N SER A 64 18.472 -5.052 5.583 1.00 0.00 N ATOM 528 CA SER A 64 18.283 -4.102 4.493 1.00 0.00 C ATOM 529 C SER A 64 16.939 -4.328 3.807 1.00 0.00 C ATOM 530 O SER A 64 16.260 -3.377 3.419 1.00 0.00 O ATOM 531 CB SER A 64 19.417 -4.228 3.474 1.00 0.00 C ATOM 532 OG SER A 64 20.528 -3.431 3.846 1.00 0.00 O ATOM 0 H SER A 64 19.294 -5.648 5.486 1.00 0.00 H new ATOM 0 HA SER A 64 18.294 -3.096 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.724 -5.271 3.394 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.061 -3.924 2.490 1.00 0.00 H new ATOM 0 HG SER A 64 21.240 -3.530 3.180 1.00 0.00 H new ATOM 538 N LEU A 65 16.561 -5.594 3.666 1.00 0.00 N ATOM 539 CA LEU A 65 15.297 -5.950 3.033 1.00 0.00 C ATOM 540 C LEU A 65 14.124 -5.621 3.950 1.00 0.00 C ATOM 541 O LEU A 65 13.052 -5.227 3.489 1.00 0.00 O ATOM 542 CB LEU A 65 15.282 -7.438 2.678 1.00 0.00 C ATOM 543 CG LEU A 65 14.600 -7.785 1.353 1.00 0.00 C ATOM 544 CD1 LEU A 65 13.128 -7.403 1.394 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.303 -7.094 0.192 1.00 0.00 C ATOM 0 H LEU A 65 17.113 -6.391 3.982 1.00 0.00 H new ATOM 0 HA LEU A 65 15.197 -5.366 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.311 -7.797 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.781 -7.981 3.479 1.00 0.00 H new ATOM 0 HG LEU A 65 14.670 -8.862 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.660 -7.657 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.633 -7.946 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.035 -6.331 1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.804 -7.353 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.267 -6.014 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.342 -7.420 0.150 1.00 0.00 H new ATOM 557 N ARG A 66 14.336 -5.785 5.252 1.00 0.00 N ATOM 558 CA ARG A 66 13.298 -5.505 6.237 1.00 0.00 C ATOM 559 C ARG A 66 13.093 -4.002 6.396 1.00 0.00 C ATOM 560 O ARG A 66 11.981 -3.541 6.652 1.00 0.00 O ATOM 561 CB ARG A 66 13.663 -6.129 7.585 1.00 0.00 C ATOM 562 CG ARG A 66 13.979 -7.613 7.502 1.00 0.00 C ATOM 563 CD ARG A 66 14.660 -8.109 8.767 1.00 0.00 C ATOM 564 NE ARG A 66 15.081 -9.504 8.651 1.00 0.00 N ATOM 565 CZ ARG A 66 15.995 -10.070 9.435 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.586 -9.367 10.393 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.318 -11.345 9.262 1.00 0.00 N ATOM 0 H ARG A 66 15.217 -6.110 5.649 1.00 0.00 H new ATOM 0 HA ARG A 66 12.366 -5.945 5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.525 -5.605 7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.837 -5.980 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.058 -8.174 7.339 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.623 -7.801 6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.528 -7.485 8.980 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.978 -8.005 9.611 1.00 0.00 H new ATOM 0 HE ARG A 66 14.649 -10.077 7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.340 -8.387 10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.286 -9.807 10.991 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.866 -11.891 8.528 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.019 -11.780 9.863 1.00 0.00 H new ATOM 581 N ASN A 67 14.173 -3.243 6.242 1.00 0.00 N ATOM 582 CA ASN A 67 14.110 -1.792 6.368 1.00 0.00 C ATOM 583 C ASN A 67 13.156 -1.202 5.335 1.00 0.00 C ATOM 584 O ASN A 67 12.316 -0.362 5.659 1.00 0.00 O ATOM 585 CB ASN A 67 15.502 -1.182 6.200 1.00 0.00 C ATOM 586 CG ASN A 67 16.299 -1.197 7.490 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.853 -0.682 8.515 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.487 -1.789 7.445 1.00 0.00 N ATOM 0 H ASN A 67 15.101 -3.608 6.030 1.00 0.00 H new ATOM 0 HA ASN A 67 13.736 -1.553 7.364 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.047 -1.732 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.406 -0.155 5.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.069 -1.829 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.818 -2.203 6.574 1.00 0.00 H new ATOM 595 N ARG A 68 13.290 -1.650 4.091 1.00 0.00 N ATOM 596 CA ARG A 68 12.438 -1.168 3.009 1.00 0.00 C ATOM 597 C ARG A 68 11.031 -1.747 3.125 1.00 0.00 C ATOM 598 O ARG A 68 10.057 -1.124 2.703 1.00 0.00 O ATOM 599 CB ARG A 68 13.045 -1.535 1.652 1.00 0.00 C ATOM 600 CG ARG A 68 13.088 -3.032 1.388 1.00 0.00 C ATOM 601 CD ARG A 68 13.445 -3.332 -0.059 1.00 0.00 C ATOM 602 NE ARG A 68 12.596 -4.378 -0.626 1.00 0.00 N ATOM 603 CZ ARG A 68 12.496 -4.626 -1.930 1.00 0.00 C ATOM 604 NH1 ARG A 68 13.189 -3.906 -2.804 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.702 -5.596 -2.361 1.00 0.00 N ATOM 0 H ARG A 68 13.980 -2.346 3.807 1.00 0.00 H new ATOM 0 HA ARG A 68 12.371 -0.083 3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.468 -1.052 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.058 -1.136 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.819 -3.498 2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.119 -3.472 1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.346 -2.423 -0.653 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.489 -3.640 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 68 12.048 -4.952 0.015 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.802 -3.159 -2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.109 -4.100 -3.802 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.168 -6.152 -1.693 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.625 -5.786 -3.360 1.00 0.00 H new ATOM 619 N TYR A 69 10.933 -2.942 3.701 1.00 0.00 N ATOM 620 CA TYR A 69 9.647 -3.613 3.876 1.00 0.00 C ATOM 621 C TYR A 69 8.630 -2.688 4.544 1.00 0.00 C ATOM 622 O TYR A 69 7.563 -2.420 3.992 1.00 0.00 O ATOM 623 CB TYR A 69 9.834 -4.886 4.709 1.00 0.00 C ATOM 624 CG TYR A 69 8.542 -5.586 5.075 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.710 -5.078 6.066 1.00 0.00 C ATOM 626 CD2 TYR A 69 8.157 -6.759 4.435 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.534 -5.717 6.408 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.982 -7.402 4.772 1.00 0.00 C ATOM 629 CZ TYR A 69 6.175 -6.878 5.758 1.00 0.00 C ATOM 630 OH TYR A 69 5.004 -7.517 6.096 1.00 0.00 O ATOM 0 H TYR A 69 11.732 -3.468 4.056 1.00 0.00 H new ATOM 0 HA TYR A 69 9.262 -3.880 2.892 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.465 -5.580 4.154 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.368 -4.632 5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.988 -4.168 6.577 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.787 -7.174 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.899 -5.309 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.697 -8.312 4.265 1.00 0.00 H new ATOM 0 HH TYR A 69 4.240 -6.980 5.797 1.00 0.00 H new ATOM 640 N ASN A 70 8.968 -2.206 5.735 1.00 0.00 N ATOM 641 CA ASN A 70 8.084 -1.315 6.479 1.00 0.00 C ATOM 642 C ASN A 70 8.097 0.094 5.891 1.00 0.00 C ATOM 643 O ASN A 70 7.114 0.827 5.994 1.00 0.00 O ATOM 644 CB ASN A 70 8.495 -1.270 7.952 1.00 0.00 C ATOM 645 CG ASN A 70 7.619 -2.150 8.823 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.447 -2.374 8.519 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.184 -2.653 9.914 1.00 0.00 N ATOM 0 H ASN A 70 9.848 -2.417 6.206 1.00 0.00 H new ATOM 0 HA ASN A 70 7.070 -1.707 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.533 -1.588 8.047 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.443 -0.242 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.643 -3.251 10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.159 -2.441 10.127 1.00 0.00 H new ATOM 654 N ASN A 71 9.215 0.468 5.278 1.00 0.00 N ATOM 655 CA ASN A 71 9.351 1.791 4.679 1.00 0.00 C ATOM 656 C ASN A 71 8.285 2.023 3.613 1.00 0.00 C ATOM 657 O ASN A 71 7.417 2.885 3.764 1.00 0.00 O ATOM 658 CB ASN A 71 10.746 1.958 4.071 1.00 0.00 C ATOM 659 CG ASN A 71 11.473 3.171 4.617 1.00 0.00 C ATOM 660 OD1 ASN A 71 10.860 4.071 5.192 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.789 3.202 4.438 1.00 0.00 N ATOM 0 H ASN A 71 10.039 -0.125 5.183 1.00 0.00 H new ATOM 0 HA ASN A 71 9.214 2.533 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.336 1.064 4.271 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.659 2.047 2.988 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.332 3.994 4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.256 2.434 3.956 1.00 0.00 H new ATOM 668 N LEU A 72 8.356 1.251 2.532 1.00 0.00 N ATOM 669 CA LEU A 72 7.397 1.378 1.441 1.00 0.00 C ATOM 670 C LEU A 72 5.963 1.261 1.954 1.00 0.00 C ATOM 671 O LEU A 72 5.068 1.964 1.483 1.00 0.00 O ATOM 672 CB LEU A 72 7.664 0.324 0.362 1.00 0.00 C ATOM 673 CG LEU A 72 7.605 -1.130 0.836 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.162 -1.600 0.942 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.394 -2.027 -0.107 1.00 0.00 C ATOM 0 H LEU A 72 9.066 0.533 2.389 1.00 0.00 H new ATOM 0 HA LEU A 72 7.521 2.367 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.937 0.457 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.649 0.509 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 72 8.056 -1.190 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.141 -2.636 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.627 -0.974 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.683 -1.527 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.343 -3.058 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.971 -1.963 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.435 -1.704 -0.131 1.00 0.00 H new ATOM 687 N TYR A 73 5.749 0.379 2.927 1.00 0.00 N ATOM 688 CA TYR A 73 4.418 0.196 3.493 1.00 0.00 C ATOM 689 C TYR A 73 4.015 1.409 4.320 1.00 0.00 C ATOM 690 O TYR A 73 2.837 1.753 4.398 1.00 0.00 O ATOM 691 CB TYR A 73 4.351 -1.065 4.354 1.00 0.00 C ATOM 692 CG TYR A 73 2.939 -1.429 4.761 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.893 -1.337 3.852 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.651 -1.856 6.051 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.601 -1.660 4.213 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.360 -2.184 6.421 1.00 0.00 C ATOM 697 CZ TYR A 73 0.338 -2.084 5.499 1.00 0.00 C ATOM 698 OH TYR A 73 -0.948 -2.408 5.865 1.00 0.00 O ATOM 0 H TYR A 73 6.472 -0.213 3.335 1.00 0.00 H new ATOM 0 HA TYR A 73 3.720 0.084 2.663 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.791 -1.897 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.955 -0.919 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.095 -1.006 2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.448 -1.933 6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.200 -1.581 3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.152 -2.517 7.427 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.960 -2.689 6.804 1.00 0.00 H new ATOM 708 N SER A 74 5.000 2.061 4.931 1.00 0.00 N ATOM 709 CA SER A 74 4.740 3.244 5.744 1.00 0.00 C ATOM 710 C SER A 74 3.905 4.250 4.961 1.00 0.00 C ATOM 711 O SER A 74 2.914 4.779 5.466 1.00 0.00 O ATOM 712 CB SER A 74 6.055 3.886 6.184 1.00 0.00 C ATOM 713 OG SER A 74 5.974 4.351 7.520 1.00 0.00 O ATOM 0 H SER A 74 5.982 1.791 4.879 1.00 0.00 H new ATOM 0 HA SER A 74 4.184 2.939 6.631 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.864 3.161 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.298 4.716 5.521 1.00 0.00 H new ATOM 0 HG SER A 74 6.828 4.756 7.778 1.00 0.00 H new ATOM 719 N HIS A 75 4.305 4.496 3.718 1.00 0.00 N ATOM 720 CA HIS A 75 3.587 5.424 2.854 1.00 0.00 C ATOM 721 C HIS A 75 2.261 4.815 2.406 1.00 0.00 C ATOM 722 O HIS A 75 1.322 5.531 2.058 1.00 0.00 O ATOM 723 CB HIS A 75 4.438 5.785 1.635 1.00 0.00 C ATOM 724 CG HIS A 75 5.098 7.125 1.741 1.00 0.00 C ATOM 725 ND1 HIS A 75 4.572 8.359 1.935 1.00 0.00 N flip ATOM 726 CD2 HIS A 75 6.462 7.303 1.646 1.00 0.00 C flip ATOM 727 CE1 HIS A 75 5.619 9.248 1.953 1.00 0.00 C flip ATOM 728 NE2 HIS A 75 6.747 8.586 1.778 1.00 0.00 N flip ATOM 0 H HIS A 75 5.123 4.065 3.287 1.00 0.00 H new ATOM 0 HA HIS A 75 3.382 6.333 3.419 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.204 5.022 1.498 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.809 5.768 0.745 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.185 6.516 1.488 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.533 10.316 2.088 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.681 8.996 1.749 1.00 0.00 H new ATOM 737 N THR A 76 2.193 3.486 2.417 1.00 0.00 N ATOM 738 CA THR A 76 0.985 2.776 2.014 1.00 0.00 C ATOM 739 C THR A 76 -0.067 2.806 3.121 1.00 0.00 C ATOM 740 O THR A 76 -1.212 3.199 2.899 1.00 0.00 O ATOM 741 CB THR A 76 1.318 1.326 1.670 1.00 0.00 C ATOM 742 OG1 THR A 76 2.293 1.262 0.645 1.00 0.00 O ATOM 743 CG2 THR A 76 0.114 0.531 1.213 1.00 0.00 C ATOM 0 H THR A 76 2.962 2.880 2.701 1.00 0.00 H new ATOM 0 HA THR A 76 0.580 3.278 1.135 1.00 0.00 H new ATOM 0 HB THR A 76 1.694 0.888 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.171 1.493 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.418 -0.490 0.984 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.635 0.518 2.005 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.309 0.992 0.321 1.00 0.00 H new ATOM 751 N GLN A 77 0.327 2.371 4.311 1.00 0.00 N ATOM 752 CA GLN A 77 -0.580 2.333 5.452 1.00 0.00 C ATOM 753 C GLN A 77 -1.121 3.722 5.786 1.00 0.00 C ATOM 754 O GLN A 77 -2.185 3.851 6.392 1.00 0.00 O ATOM 755 CB GLN A 77 0.133 1.750 6.673 1.00 0.00 C ATOM 756 CG GLN A 77 1.400 2.500 7.053 1.00 0.00 C ATOM 757 CD GLN A 77 1.498 2.761 8.544 1.00 0.00 C ATOM 758 OE1 GLN A 77 0.733 2.208 9.334 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.444 3.607 8.935 1.00 0.00 N ATOM 0 H GLN A 77 1.270 2.039 4.512 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.423 1.697 5.183 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.552 1.757 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.383 0.708 6.474 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.268 1.926 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.430 3.450 6.519 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.056 4.042 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.559 3.821 9.926 1.00 0.00 H new ATOM 768 N ARG A 78 -0.382 4.759 5.402 1.00 0.00 N ATOM 769 CA ARG A 78 -0.795 6.132 5.680 1.00 0.00 C ATOM 770 C ARG A 78 -1.603 6.725 4.527 1.00 0.00 C ATOM 771 O ARG A 78 -2.564 7.461 4.751 1.00 0.00 O ATOM 772 CB ARG A 78 0.427 7.008 5.964 1.00 0.00 C ATOM 773 CG ARG A 78 1.421 7.061 4.815 1.00 0.00 C ATOM 774 CD ARG A 78 1.330 8.375 4.054 1.00 0.00 C ATOM 775 NE ARG A 78 2.572 9.139 4.133 1.00 0.00 N ATOM 776 CZ ARG A 78 2.678 10.421 3.794 1.00 0.00 C ATOM 777 NH1 ARG A 78 1.618 11.089 3.354 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.847 11.039 3.895 1.00 0.00 N ATOM 0 H ARG A 78 0.502 4.676 4.900 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.436 6.108 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.093 8.020 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.933 6.633 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.432 6.934 5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.234 6.232 4.133 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.094 8.173 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.511 8.971 4.456 1.00 0.00 H new ATOM 0 HE ARG A 78 3.408 8.661 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.716 10.619 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.706 12.072 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.665 10.531 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.928 12.022 3.635 1.00 0.00 H new ATOM 792 N THR A 79 -1.212 6.409 3.295 1.00 0.00 N ATOM 793 CA THR A 79 -1.912 6.926 2.123 1.00 0.00 C ATOM 794 C THR A 79 -3.352 6.425 2.080 1.00 0.00 C ATOM 795 O THR A 79 -4.270 7.177 1.755 1.00 0.00 O ATOM 796 CB THR A 79 -1.177 6.532 0.838 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.698 7.237 -0.274 1.00 0.00 O ATOM 798 CG2 THR A 79 -1.262 5.055 0.524 1.00 0.00 C ATOM 0 H THR A 79 -0.420 5.802 3.083 1.00 0.00 H new ATOM 0 HA THR A 79 -1.930 8.013 2.197 1.00 0.00 H new ATOM 0 HB THR A 79 -0.133 6.788 1.016 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.525 6.806 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.720 4.847 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.821 4.483 1.341 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.307 4.768 0.403 1.00 0.00 H new ATOM 806 N LEU A 80 -3.545 5.152 2.414 1.00 0.00 N ATOM 807 CA LEU A 80 -4.877 4.557 2.415 1.00 0.00 C ATOM 808 C LEU A 80 -5.818 5.337 3.328 1.00 0.00 C ATOM 809 O LEU A 80 -6.986 5.548 3.001 1.00 0.00 O ATOM 810 CB LEU A 80 -4.811 3.097 2.867 1.00 0.00 C ATOM 811 CG LEU A 80 -4.107 2.143 1.899 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.647 0.890 2.628 1.00 0.00 C ATOM 813 CD2 LEU A 80 -5.030 1.784 0.743 1.00 0.00 C ATOM 0 H LEU A 80 -2.797 4.514 2.687 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.264 4.597 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.300 3.055 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.827 2.738 3.030 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.228 2.645 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.148 0.222 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.953 1.165 3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.510 0.383 3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.515 1.105 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.926 1.299 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.311 2.690 0.207 1.00 0.00 H new ATOM 825 N ASP A 81 -5.298 5.766 4.475 1.00 0.00 N ATOM 826 CA ASP A 81 -6.088 6.526 5.437 1.00 0.00 C ATOM 827 C ASP A 81 -6.612 7.813 4.809 1.00 0.00 C ATOM 828 O ASP A 81 -7.785 8.155 4.957 1.00 0.00 O ATOM 829 CB ASP A 81 -5.248 6.849 6.675 1.00 0.00 C ATOM 830 CG ASP A 81 -5.611 5.979 7.863 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.515 6.371 8.631 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.992 4.907 8.025 1.00 0.00 O ATOM 0 H ASP A 81 -4.333 5.600 4.760 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.941 5.917 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.192 6.715 6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.385 7.897 6.940 1.00 0.00 H new ATOM 837 N MET A 82 -5.735 8.520 4.103 1.00 0.00 N ATOM 838 CA MET A 82 -6.110 9.768 3.448 1.00 0.00 C ATOM 839 C MET A 82 -7.253 9.538 2.464 1.00 0.00 C ATOM 840 O MET A 82 -8.089 10.417 2.251 1.00 0.00 O ATOM 841 CB MET A 82 -4.905 10.368 2.721 1.00 0.00 C ATOM 842 CG MET A 82 -3.861 10.955 3.656 1.00 0.00 C ATOM 843 SD MET A 82 -2.854 12.225 2.866 1.00 0.00 S ATOM 844 CE MET A 82 -1.872 11.231 1.746 1.00 0.00 C ATOM 0 H MET A 82 -4.760 8.250 3.970 1.00 0.00 H new ATOM 0 HA MET A 82 -6.447 10.468 4.213 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.439 9.596 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.252 11.147 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.358 11.381 4.527 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.213 10.156 4.018 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.990 11.793 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.562 10.315 2.249 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.466 10.980 0.867 1.00 0.00 H new ATOM 854 N ALA A 83 -7.286 8.349 1.872 1.00 0.00 N ATOM 855 CA ALA A 83 -8.329 8.000 0.917 1.00 0.00 C ATOM 856 C ALA A 83 -9.675 7.852 1.616 1.00 0.00 C ATOM 857 O ALA A 83 -10.645 8.522 1.264 1.00 0.00 O ATOM 858 CB ALA A 83 -7.967 6.718 0.182 1.00 0.00 C ATOM 0 H ALA A 83 -6.602 7.611 2.037 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.411 8.807 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.756 6.470 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.028 6.858 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.857 5.905 0.900 1.00 0.00 H new ATOM 864 N ASP A 84 -9.723 6.975 2.613 1.00 0.00 N ATOM 865 CA ASP A 84 -10.947 6.743 3.368 1.00 0.00 C ATOM 866 C ASP A 84 -11.093 7.768 4.489 1.00 0.00 C ATOM 867 O ASP A 84 -11.242 7.411 5.658 1.00 0.00 O ATOM 868 CB ASP A 84 -10.953 5.327 3.948 1.00 0.00 C ATOM 869 CG ASP A 84 -12.303 4.943 4.523 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.184 4.527 3.741 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.479 5.060 5.754 1.00 0.00 O ATOM 0 H ASP A 84 -8.928 6.413 2.916 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.792 6.851 2.688 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.678 4.617 3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.195 5.254 4.728 1.00 0.00 H new ATOM 876 N MET A 85 -11.048 9.045 4.124 1.00 0.00 N ATOM 877 CA MET A 85 -11.174 10.125 5.095 1.00 0.00 C ATOM 878 C MET A 85 -12.214 11.145 4.643 1.00 0.00 C ATOM 879 O MET A 85 -13.074 11.558 5.421 1.00 0.00 O ATOM 880 CB MET A 85 -9.822 10.814 5.294 1.00 0.00 C ATOM 881 CG MET A 85 -9.699 11.537 6.626 1.00 0.00 C ATOM 882 SD MET A 85 -8.396 10.856 7.672 1.00 0.00 S ATOM 883 CE MET A 85 -9.286 9.547 8.510 1.00 0.00 C ATOM 0 H MET A 85 -10.925 9.357 3.161 1.00 0.00 H new ATOM 0 HA MET A 85 -11.501 9.695 6.042 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.029 10.069 5.219 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.665 11.529 4.486 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.498 12.593 6.444 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.650 11.480 7.155 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.613 9.030 9.195 1.00 0.00 H new ATOM 0 HE2 MET A 85 -10.117 9.974 9.071 1.00 0.00 H new ATOM 0 HE3 MET A 85 -9.670 8.839 7.775 1.00 0.00 H new ATOM 893 N GLN A 86 -12.122 11.549 3.381 1.00 0.00 N ATOM 894 CA GLN A 86 -13.046 12.527 2.814 1.00 0.00 C ATOM 895 C GLN A 86 -14.501 12.100 3.002 1.00 0.00 C ATOM 896 O GLN A 86 -15.400 12.939 3.038 1.00 0.00 O ATOM 897 CB GLN A 86 -12.752 12.729 1.326 1.00 0.00 C ATOM 898 CG GLN A 86 -13.393 13.979 0.743 1.00 0.00 C ATOM 899 CD GLN A 86 -14.304 13.675 -0.431 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.812 12.875 -1.370 1.00 0.00 O flip ATOM 901 NE2 GLN A 86 -15.436 14.155 -0.494 1.00 0.00 N flip ATOM 0 H GLN A 86 -11.414 11.213 2.728 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.900 13.468 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.673 12.783 1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.105 11.858 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.965 14.485 1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.611 14.668 0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.773 14.765 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -16.036 13.942 -1.291 1.00 0.00 H new ATOM 910 N HIS A 87 -14.727 10.794 3.117 1.00 0.00 N ATOM 911 CA HIS A 87 -16.078 10.268 3.298 1.00 0.00 C ATOM 912 C HIS A 87 -16.635 10.654 4.667 1.00 0.00 C ATOM 913 O HIS A 87 -16.786 9.810 5.549 1.00 0.00 O ATOM 914 CB HIS A 87 -16.084 8.745 3.145 1.00 0.00 C ATOM 915 CG HIS A 87 -15.242 8.245 2.012 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.893 7.989 2.135 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.564 7.944 0.731 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.422 7.554 0.980 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.416 7.518 0.112 1.00 0.00 N ATOM 0 H HIS A 87 -13.996 10.083 3.088 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.714 10.705 2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.731 8.295 4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.110 8.409 2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.542 8.024 0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.398 7.275 0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.342 7.222 -0.861 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.450 17.277 -0.080 1.00 0.00 N ATOM 1111 CA LEU A 101 -7.386 16.950 -1.150 1.00 0.00 C ATOM 1112 C LEU A 101 -7.483 15.437 -1.340 1.00 0.00 C ATOM 1113 O LEU A 101 -6.516 14.712 -1.109 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.961 17.621 -2.455 1.00 0.00 C ATOM 1115 CG LEU A 101 -6.752 19.134 -2.367 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -6.125 19.663 -3.647 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -8.072 19.836 -2.088 1.00 0.00 C ATOM 0 HA LEU A 101 -8.370 17.325 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.034 17.161 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.717 17.417 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.070 19.341 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.984 20.741 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.160 19.182 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.781 19.446 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.907 20.912 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.775 19.621 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -8.481 19.479 -1.143 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.662 14.940 -1.754 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.891 13.504 -1.958 1.00 0.00 C ATOM 1131 C PRO A 102 -7.990 12.885 -3.029 1.00 0.00 C ATOM 1132 O PRO A 102 -7.947 11.663 -3.173 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.363 13.415 -2.378 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.746 14.791 -2.804 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.865 15.738 -2.040 1.00 0.00 C ATOM 0 HA PRO A 102 -8.657 12.945 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.495 12.702 -3.192 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.986 13.074 -1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.609 14.916 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.798 14.984 -2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.627 16.625 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.345 16.081 -1.124 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.272 13.717 -3.779 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.384 13.214 -4.823 1.00 0.00 C ATOM 1145 C HIS A 103 -4.967 12.988 -4.291 1.00 0.00 C ATOM 1146 O HIS A 103 -4.121 12.416 -4.980 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.358 14.170 -6.021 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.518 15.394 -5.811 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.215 15.893 -4.562 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.913 16.216 -6.700 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.459 16.970 -4.692 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -4.262 17.187 -5.979 1.00 0.00 N ATOM 0 H HIS A 103 -7.287 14.733 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.776 12.252 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.985 13.632 -6.893 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.379 14.478 -6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.938 16.125 -7.776 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.069 17.570 -3.883 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.715 17.952 -6.374 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.710 13.436 -3.065 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.396 13.270 -2.455 1.00 0.00 C ATOM 1163 C GLU A 104 -3.157 11.810 -2.085 1.00 0.00 C ATOM 1164 O GLU A 104 -2.020 11.337 -2.079 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.273 14.152 -1.211 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.615 15.496 -1.480 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.187 15.557 -0.972 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.884 14.875 0.029 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.373 16.287 -1.575 1.00 0.00 O ATOM 0 H GLU A 104 -5.392 13.915 -2.477 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.641 13.574 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.267 14.320 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.697 13.620 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.624 15.693 -2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.200 16.284 -1.006 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.239 11.101 -1.776 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.155 9.693 -1.403 1.00 0.00 C ATOM 1178 C ASN A 105 -4.001 8.806 -2.635 1.00 0.00 C ATOM 1179 O ASN A 105 -3.127 7.942 -2.681 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.399 9.276 -0.618 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.681 9.723 -1.289 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.173 9.074 -2.212 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.228 10.840 -0.827 1.00 0.00 N ATOM 0 H ASN A 105 -5.186 11.480 -1.777 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.274 9.566 -0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.409 8.192 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.351 9.699 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.092 11.193 -1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.785 11.345 -0.060 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.859 9.021 -3.629 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.818 8.233 -4.857 1.00 0.00 C ATOM 1192 C VAL A 106 -3.420 8.236 -5.469 1.00 0.00 C ATOM 1193 O VAL A 106 -2.908 7.192 -5.874 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.826 8.753 -5.901 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.250 8.631 -5.380 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.515 10.193 -6.280 1.00 0.00 C ATOM 0 H VAL A 106 -5.589 9.733 -3.608 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.089 7.214 -4.582 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.736 8.138 -6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.946 9.003 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.471 7.585 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.355 9.217 -4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.239 10.539 -7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.572 10.823 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.511 10.250 -6.702 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.806 9.413 -5.530 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.466 9.545 -6.088 1.00 0.00 C ATOM 1208 C ASP A 107 -0.457 8.777 -5.242 1.00 0.00 C ATOM 1209 O ASP A 107 0.337 7.992 -5.762 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.065 11.019 -6.169 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.390 11.633 -7.517 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.047 11.016 -8.548 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -1.987 12.729 -7.542 1.00 0.00 O ATOM 0 H ASP A 107 -3.215 10.288 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.471 9.125 -7.094 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.579 11.576 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.004 11.113 -5.978 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.498 9.007 -3.935 1.00 0.00 N ATOM 1219 CA ASP A 108 0.407 8.336 -3.011 1.00 0.00 C ATOM 1220 C ASP A 108 0.116 6.839 -2.952 1.00 0.00 C ATOM 1221 O ASP A 108 0.990 6.042 -2.610 1.00 0.00 O ATOM 1222 CB ASP A 108 0.285 8.946 -1.613 1.00 0.00 C ATOM 1223 CG ASP A 108 1.365 9.973 -1.335 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.552 9.588 -1.285 1.00 0.00 O ATOM 1225 OD2 ASP A 108 1.024 11.163 -1.167 1.00 0.00 O ATOM 0 H ASP A 108 -1.150 9.654 -3.491 1.00 0.00 H new ATOM 0 HA ASP A 108 1.425 8.475 -3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.694 9.414 -1.508 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.341 8.153 -0.867 1.00 0.00 H new ATOM 1230 N MET A 109 -1.114 6.462 -3.289 1.00 0.00 N ATOM 1231 CA MET A 109 -1.508 5.059 -3.271 1.00 0.00 C ATOM 1232 C MET A 109 -0.860 4.305 -4.425 1.00 0.00 C ATOM 1233 O MET A 109 -0.199 3.287 -4.221 1.00 0.00 O ATOM 1234 CB MET A 109 -3.030 4.930 -3.340 1.00 0.00 C ATOM 1235 CG MET A 109 -3.652 4.432 -2.045 1.00 0.00 C ATOM 1236 SD MET A 109 -4.736 5.652 -1.278 1.00 0.00 S ATOM 1237 CE MET A 109 -6.309 5.200 -2.004 1.00 0.00 C ATOM 0 H MET A 109 -1.851 7.106 -3.576 1.00 0.00 H new ATOM 0 HA MET A 109 -1.164 4.619 -2.335 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.459 5.900 -3.591 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.293 4.247 -4.147 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.219 3.523 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.860 4.165 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.664 6.013 -2.638 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.187 4.299 -2.604 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.035 5.013 -1.213 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.046 4.818 -5.636 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.470 4.199 -6.825 1.00 0.00 C ATOM 1249 C ARG A 110 1.035 4.014 -6.655 1.00 0.00 C ATOM 1250 O ARG A 110 1.636 3.129 -7.264 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.757 5.052 -8.063 1.00 0.00 C ATOM 1252 CG ARG A 110 -2.187 5.565 -8.129 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.806 5.335 -9.501 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.967 6.582 -10.246 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.793 6.726 -11.280 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -4.532 5.705 -11.695 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.879 7.894 -11.902 1.00 0.00 N ATOM 0 H ARG A 110 -1.591 5.660 -5.821 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.930 3.220 -6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.074 5.901 -8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.549 4.463 -8.956 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.788 5.064 -7.370 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -2.203 6.630 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.178 4.650 -10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.777 4.855 -9.384 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.414 7.389 -9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.469 4.804 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.163 5.821 -12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.312 8.682 -11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.512 8.005 -12.694 1.00 0.00 H new ATOM 1271 N SER A 111 1.635 4.853 -5.816 1.00 0.00 N ATOM 1272 CA SER A 111 3.067 4.781 -5.555 1.00 0.00 C ATOM 1273 C SER A 111 3.396 3.541 -4.732 1.00 0.00 C ATOM 1274 O SER A 111 4.416 2.888 -4.953 1.00 0.00 O ATOM 1275 CB SER A 111 3.540 6.037 -4.823 1.00 0.00 C ATOM 1276 OG SER A 111 3.992 7.021 -5.737 1.00 0.00 O ATOM 0 H SER A 111 1.150 5.591 -5.305 1.00 0.00 H new ATOM 0 HA SER A 111 3.587 4.716 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.724 6.441 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.345 5.779 -4.134 1.00 0.00 H new ATOM 0 HG SER A 111 4.287 7.815 -5.244 1.00 0.00 H new ATOM 1282 N ALA A 112 2.520 3.219 -3.784 1.00 0.00 N ATOM 1283 CA ALA A 112 2.714 2.052 -2.933 1.00 0.00 C ATOM 1284 C ALA A 112 2.759 0.780 -3.769 1.00 0.00 C ATOM 1285 O ALA A 112 3.634 -0.066 -3.584 1.00 0.00 O ATOM 1286 CB ALA A 112 1.606 1.965 -1.892 1.00 0.00 C ATOM 0 H ALA A 112 1.671 3.749 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 112 3.668 2.157 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.765 1.088 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.617 2.862 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.642 1.882 -2.393 1.00 0.00 H new ATOM 1292 N ILE A 113 1.814 0.652 -4.696 1.00 0.00 N ATOM 1293 CA ILE A 113 1.754 -0.516 -5.563 1.00 0.00 C ATOM 1294 C ILE A 113 3.022 -0.632 -6.405 1.00 0.00 C ATOM 1295 O ILE A 113 3.421 -1.727 -6.794 1.00 0.00 O ATOM 1296 CB ILE A 113 0.508 -0.478 -6.482 1.00 0.00 C ATOM 1297 CG1 ILE A 113 -0.078 -1.882 -6.636 1.00 0.00 C ATOM 1298 CG2 ILE A 113 0.841 0.115 -7.846 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -1.228 -2.163 -5.694 1.00 0.00 C ATOM 0 H ILE A 113 1.082 1.342 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 113 1.675 -1.393 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.236 0.166 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.419 -2.014 -7.663 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.709 -2.616 -6.465 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.055 0.127 -8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.209 1.133 -7.720 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.608 -0.491 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.594 -3.176 -5.859 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.887 -2.063 -4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -2.033 -1.452 -5.880 1.00 0.00 H new ATOM 1311 N THR A 114 3.656 0.504 -6.679 1.00 0.00 N ATOM 1312 CA THR A 114 4.882 0.518 -7.467 1.00 0.00 C ATOM 1313 C THR A 114 5.960 -0.311 -6.780 1.00 0.00 C ATOM 1314 O THR A 114 6.672 -1.083 -7.423 1.00 0.00 O ATOM 1315 CB THR A 114 5.372 1.953 -7.667 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.332 2.774 -8.167 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.541 2.059 -8.623 1.00 0.00 C ATOM 0 H THR A 114 3.342 1.423 -6.368 1.00 0.00 H new ATOM 0 HA THR A 114 4.670 0.082 -8.443 1.00 0.00 H new ATOM 0 HB THR A 114 5.698 2.286 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.584 2.777 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.839 3.103 -8.720 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.379 1.477 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.248 1.673 -9.600 1.00 0.00 H new ATOM 1325 N ASP A 115 6.066 -0.148 -5.466 1.00 0.00 N ATOM 1326 CA ASP A 115 7.049 -0.883 -4.681 1.00 0.00 C ATOM 1327 C ASP A 115 6.492 -2.238 -4.256 1.00 0.00 C ATOM 1328 O ASP A 115 7.215 -3.233 -4.219 1.00 0.00 O ATOM 1329 CB ASP A 115 7.456 -0.074 -3.447 1.00 0.00 C ATOM 1330 CG ASP A 115 8.953 -0.098 -3.209 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.712 0.143 -4.171 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.367 -0.360 -2.059 1.00 0.00 O ATOM 0 H ASP A 115 5.482 0.487 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 115 7.929 -1.048 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.126 0.958 -3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.945 -0.472 -2.570 1.00 0.00 H new ATOM 1337 N TRP A 116 5.200 -2.268 -3.937 1.00 0.00 N ATOM 1338 CA TRP A 116 4.549 -3.502 -3.518 1.00 0.00 C ATOM 1339 C TRP A 116 4.454 -4.486 -4.678 1.00 0.00 C ATOM 1340 O TRP A 116 4.723 -5.676 -4.517 1.00 0.00 O ATOM 1341 CB TRP A 116 3.162 -3.205 -2.945 1.00 0.00 C ATOM 1342 CG TRP A 116 3.207 -2.882 -1.484 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.395 -1.653 -0.921 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.081 -3.806 -0.399 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.396 -1.758 0.448 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.206 -3.070 0.793 1.00 0.00 C ATOM 1347 CE3 TRP A 116 2.874 -5.185 -0.320 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.135 -3.669 2.047 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 2.802 -5.776 0.924 1.00 0.00 C ATOM 1350 CH2 TRP A 116 2.934 -5.019 2.094 1.00 0.00 C ATOM 0 H TRP A 116 4.587 -1.453 -3.961 1.00 0.00 H new ATOM 0 HA TRP A 116 5.154 -3.961 -2.736 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.720 -2.369 -3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.514 -4.067 -3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.524 -0.733 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.518 -0.985 1.102 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.772 -5.778 -1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.235 -3.087 2.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.641 -6.841 0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.876 -5.512 3.053 1.00 0.00 H new ATOM 1361 N SER A 117 4.089 -3.981 -5.852 1.00 0.00 N ATOM 1362 CA SER A 117 3.985 -4.823 -7.037 1.00 0.00 C ATOM 1363 C SER A 117 5.350 -5.415 -7.370 1.00 0.00 C ATOM 1364 O SER A 117 5.477 -6.610 -7.640 1.00 0.00 O ATOM 1365 CB SER A 117 3.459 -4.018 -8.227 1.00 0.00 C ATOM 1366 OG SER A 117 2.145 -3.546 -7.983 1.00 0.00 O ATOM 0 H SER A 117 3.862 -2.999 -6.007 1.00 0.00 H new ATOM 0 HA SER A 117 3.282 -5.630 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.122 -3.174 -8.421 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.465 -4.640 -9.122 1.00 0.00 H new ATOM 0 HG SER A 117 2.175 -2.589 -7.772 1.00 0.00 H new ATOM 1372 N ASP A 118 6.372 -4.565 -7.330 1.00 0.00 N ATOM 1373 CA ASP A 118 7.736 -4.992 -7.607 1.00 0.00 C ATOM 1374 C ASP A 118 8.187 -6.019 -6.577 1.00 0.00 C ATOM 1375 O ASP A 118 8.861 -6.995 -6.908 1.00 0.00 O ATOM 1376 CB ASP A 118 8.682 -3.790 -7.591 1.00 0.00 C ATOM 1377 CG ASP A 118 10.077 -4.144 -8.067 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.460 -5.328 -7.956 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.788 -3.238 -8.550 1.00 0.00 O ATOM 0 H ASP A 118 6.279 -3.574 -7.108 1.00 0.00 H new ATOM 0 HA ASP A 118 7.761 -5.449 -8.596 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.274 -3.002 -8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.738 -3.389 -6.579 1.00 0.00 H new ATOM 1384 N MET A 119 7.801 -5.793 -5.325 1.00 0.00 N ATOM 1385 CA MET A 119 8.156 -6.696 -4.240 1.00 0.00 C ATOM 1386 C MET A 119 7.485 -8.052 -4.431 1.00 0.00 C ATOM 1387 O MET A 119 8.071 -9.091 -4.138 1.00 0.00 O ATOM 1388 CB MET A 119 7.748 -6.096 -2.893 1.00 0.00 C ATOM 1389 CG MET A 119 8.308 -6.848 -1.697 1.00 0.00 C ATOM 1390 SD MET A 119 8.041 -5.976 -0.142 1.00 0.00 S ATOM 1391 CE MET A 119 9.696 -5.989 0.543 1.00 0.00 C ATOM 0 H MET A 119 7.241 -4.990 -5.038 1.00 0.00 H new ATOM 0 HA MET A 119 9.237 -6.836 -4.251 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.084 -5.060 -2.850 1.00 0.00 H new ATOM 0 HB3 MET A 119 6.660 -6.082 -2.826 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.843 -7.832 -1.642 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.377 -7.008 -1.841 1.00 0.00 H new ATOM 0 HE1 MET A 119 9.664 -6.366 1.565 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.335 -6.633 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.098 -4.976 0.543 1.00 0.00 H new ATOM 1401 N ARG A 120 6.253 -8.034 -4.930 1.00 0.00 N ATOM 1402 CA ARG A 120 5.505 -9.265 -5.164 1.00 0.00 C ATOM 1403 C ARG A 120 6.325 -10.245 -5.998 1.00 0.00 C ATOM 1404 O ARG A 120 6.377 -11.439 -5.702 1.00 0.00 O ATOM 1405 CB ARG A 120 4.180 -8.956 -5.866 1.00 0.00 C ATOM 1406 CG ARG A 120 2.966 -9.526 -5.150 1.00 0.00 C ATOM 1407 CD ARG A 120 2.296 -8.481 -4.272 1.00 0.00 C ATOM 1408 NE ARG A 120 1.124 -9.017 -3.582 1.00 0.00 N ATOM 1409 CZ ARG A 120 -0.066 -9.175 -4.156 1.00 0.00 C ATOM 1410 NH1 ARG A 120 -0.248 -8.841 -5.428 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -1.079 -9.668 -3.456 1.00 0.00 N ATOM 0 H ARG A 120 5.752 -7.182 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 120 5.294 -9.726 -4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.067 -7.875 -5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.214 -9.354 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 120 2.251 -9.899 -5.884 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.269 -10.376 -4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.012 -8.111 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.999 -7.630 -4.884 1.00 0.00 H new ATOM 0 HE ARG A 120 1.224 -9.286 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 120 0.527 -8.461 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -1.163 -8.965 -5.862 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.946 -9.926 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -1.991 -9.789 -3.896 1.00 0.00 H new ATOM 1425 N GLU A 121 6.968 -9.728 -7.041 1.00 0.00 N ATOM 1426 CA GLU A 121 7.790 -10.554 -7.918 1.00 0.00 C ATOM 1427 C GLU A 121 9.173 -10.784 -7.313 1.00 0.00 C ATOM 1428 O GLU A 121 9.771 -11.845 -7.492 1.00 0.00 O ATOM 1429 CB GLU A 121 7.926 -9.896 -9.292 1.00 0.00 C ATOM 1430 CG GLU A 121 6.699 -10.069 -10.173 1.00 0.00 C ATOM 1431 CD GLU A 121 6.559 -8.963 -11.201 1.00 0.00 C ATOM 1432 OE1 GLU A 121 7.529 -8.723 -11.950 1.00 0.00 O ATOM 1433 OE2 GLU A 121 5.480 -8.338 -11.256 1.00 0.00 O ATOM 0 H GLU A 121 6.935 -8.742 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 121 7.298 -11.520 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.120 -8.832 -9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.792 -10.316 -9.803 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.756 -11.030 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.807 -10.093 -9.547 1.00 0.00 H new ATOM 1440 N ALA A 122 9.675 -9.782 -6.599 1.00 0.00 N ATOM 1441 CA ALA A 122 10.988 -9.872 -5.970 1.00 0.00 C ATOM 1442 C ALA A 122 10.970 -10.831 -4.784 1.00 0.00 C ATOM 1443 O ALA A 122 11.685 -11.833 -4.772 1.00 0.00 O ATOM 1444 CB ALA A 122 11.454 -8.494 -5.526 1.00 0.00 C ATOM 0 H ALA A 122 9.192 -8.897 -6.441 1.00 0.00 H new ATOM 0 HA ALA A 122 11.688 -10.264 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.435 -8.575 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.518 -7.835 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.743 -8.083 -4.809 1.00 0.00 H new ATOM 1450 N LEU A 123 10.149 -10.516 -3.785 1.00 0.00 N ATOM 1451 CA LEU A 123 10.037 -11.347 -2.590 1.00 0.00 C ATOM 1452 C LEU A 123 9.794 -12.808 -2.959 1.00 0.00 C ATOM 1453 O LEU A 123 10.424 -13.710 -2.407 1.00 0.00 O ATOM 1454 CB LEU A 123 8.901 -10.837 -1.695 1.00 0.00 C ATOM 1455 CG LEU A 123 9.316 -10.442 -0.275 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.505 -9.494 -0.307 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.146 -9.807 0.461 1.00 0.00 C ATOM 0 H LEU A 123 9.551 -9.690 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 123 10.979 -11.284 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.442 -9.973 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.136 -11.610 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 123 9.614 -11.344 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.784 -9.226 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.347 -9.983 -0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.237 -8.593 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.456 -9.532 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.820 -8.915 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.322 -10.518 0.517 1.00 0.00 H new ATOM 1469 N GLN A 124 8.878 -13.033 -3.895 1.00 0.00 N ATOM 1470 CA GLN A 124 8.551 -14.384 -4.338 1.00 0.00 C ATOM 1471 C GLN A 124 9.785 -15.096 -4.887 1.00 0.00 C ATOM 1472 O GLN A 124 10.073 -16.234 -4.518 1.00 0.00 O ATOM 1473 CB GLN A 124 7.458 -14.341 -5.407 1.00 0.00 C ATOM 1474 CG GLN A 124 6.049 -14.401 -4.841 1.00 0.00 C ATOM 1475 CD GLN A 124 4.988 -14.132 -5.890 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.191 -13.331 -6.803 1.00 0.00 O ATOM 1477 NE2 GLN A 124 3.848 -14.801 -5.765 1.00 0.00 N ATOM 0 H GLN A 124 8.348 -12.297 -4.362 1.00 0.00 H new ATOM 0 HA GLN A 124 8.188 -14.942 -3.475 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.568 -13.426 -5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 124 7.600 -15.175 -6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 124 5.879 -15.384 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 124 5.953 -13.671 -4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 124 3.723 -15.455 -4.993 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.098 -14.661 -6.441 1.00 0.00 H new ATOM 1486 N HIS A 125 10.507 -14.418 -5.773 1.00 0.00 N ATOM 1487 CA HIS A 125 11.707 -14.986 -6.377 1.00 0.00 C ATOM 1488 C HIS A 125 12.757 -15.310 -5.319 1.00 0.00 C ATOM 1489 O HIS A 125 13.259 -16.432 -5.251 1.00 0.00 O ATOM 1490 CB HIS A 125 12.290 -14.017 -7.407 1.00 0.00 C ATOM 1491 CG HIS A 125 11.709 -14.178 -8.777 1.00 0.00 C ATOM 1492 ND1 HIS A 125 10.397 -14.539 -9.001 1.00 0.00 N ATOM 1493 CD2 HIS A 125 12.268 -14.023 -10.001 1.00 0.00 C ATOM 1494 CE1 HIS A 125 10.174 -14.601 -10.302 1.00 0.00 C ATOM 1495 NE2 HIS A 125 11.293 -14.291 -10.931 1.00 0.00 N ATOM 0 H HIS A 125 10.282 -13.475 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 125 11.424 -15.914 -6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.122 -12.995 -7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.369 -14.162 -7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.290 -13.741 -10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 125 9.236 -14.861 -10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 125 11.414 -14.256 -11.943 1.00 0.00 H new ATOM 1504 N ALA A 126 13.090 -14.319 -4.499 1.00 0.00 N ATOM 1505 CA ALA A 126 14.085 -14.497 -3.448 1.00 0.00 C ATOM 1506 C ALA A 126 13.681 -15.606 -2.481 1.00 0.00 C ATOM 1507 O ALA A 126 14.528 -16.356 -1.996 1.00 0.00 O ATOM 1508 CB ALA A 126 14.299 -13.191 -2.699 1.00 0.00 C ATOM 0 H ALA A 126 12.685 -13.384 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 126 15.022 -14.792 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.044 -13.338 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 126 14.647 -12.426 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.359 -12.871 -2.249 1.00 0.00 H new ATOM 1514 N MET A 127 12.385 -15.705 -2.203 1.00 0.00 N ATOM 1515 CA MET A 127 11.874 -16.725 -1.292 1.00 0.00 C ATOM 1516 C MET A 127 12.297 -18.119 -1.744 1.00 0.00 C ATOM 1517 O MET A 127 12.708 -18.949 -0.933 1.00 0.00 O ATOM 1518 CB MET A 127 10.349 -16.648 -1.206 1.00 0.00 C ATOM 1519 CG MET A 127 9.796 -17.030 0.158 1.00 0.00 C ATOM 1520 SD MET A 127 8.090 -17.606 0.079 1.00 0.00 S ATOM 1521 CE MET A 127 7.225 -16.064 -0.207 1.00 0.00 C ATOM 0 H MET A 127 11.670 -15.092 -2.595 1.00 0.00 H new ATOM 0 HA MET A 127 12.296 -16.537 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.031 -15.634 -1.447 1.00 0.00 H new ATOM 0 HB3 MET A 127 9.917 -17.305 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.419 -17.811 0.593 1.00 0.00 H new ATOM 0 HG3 MET A 127 9.854 -16.169 0.824 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.216 -16.132 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 127 7.759 -15.251 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.173 -15.869 -1.278 1.00 0.00 H new ATOM 1531 N GLY A 128 12.191 -18.368 -3.045 1.00 0.00 N ATOM 1532 CA GLY A 128 12.564 -19.661 -3.587 1.00 0.00 C ATOM 1533 C GLY A 128 11.844 -19.976 -4.883 1.00 0.00 C ATOM 1534 O GLY A 128 11.400 -21.104 -5.096 1.00 0.00 O ATOM 0 H GLY A 128 11.853 -17.696 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 128 13.640 -19.683 -3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.342 -20.437 -2.854 1.00 0.00 H new ATOM 1538 N ILE A 129 11.728 -18.976 -5.751 1.00 0.00 N ATOM 1539 CA ILE A 129 11.057 -19.150 -7.033 1.00 0.00 C ATOM 1540 C ILE A 129 11.823 -18.452 -8.151 1.00 0.00 C ATOM 1541 O ILE A 129 12.597 -17.527 -7.903 1.00 0.00 O ATOM 1542 CB ILE A 129 9.617 -18.604 -6.995 1.00 0.00 C ATOM 1543 CG1 ILE A 129 8.886 -19.115 -5.752 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.867 -18.998 -8.258 1.00 0.00 C ATOM 1545 CD1 ILE A 129 7.610 -18.360 -5.449 1.00 0.00 C ATOM 0 H ILE A 129 12.090 -18.036 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 129 11.025 -20.222 -7.230 1.00 0.00 H new ATOM 0 HB ILE A 129 9.659 -17.516 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.651 -20.171 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.553 -19.044 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.851 -18.605 -8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.379 -18.588 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.832 -20.085 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 129 7.145 -18.776 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 129 7.841 -17.308 -5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 129 6.924 -18.452 -6.291 1.00 0.00 H new