USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 989 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 125 ASN :FLIP amide:sc= 0 F(o=0.34,f=1.1) USER MOD Set 1.2: A 126 ASN : amide:sc= 1.09 K(o=1.1,f=0.34) USER MOD Set 2.1: A 70 TYR OH : rot 56:sc= 0.147 USER MOD Set 2.2: A 124 ASN : amide:sc= -0.231 X(o=-0.084,f=0.12) USER MOD Set 3.1: A 107 LYS NZ :NH3+ 178:sc=0.000473 (180deg=0) USER MOD Set 3.2: A 110 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.3!) USER MOD Set 4.1: A 41 ASN :FLIP amide:sc= 0.188 F(o=-0.84,f=0.29) USER MOD Set 4.2: A 104 ASN :FLIP amide:sc= 0.102 X(o=-0.072,f=0.29) USER MOD Set 5.1: A 71 THR OG1 : rot 180:sc= 0.589 USER MOD Set 5.2: A 75 LYS NZ :NH3+ -169:sc= 2.48 (180deg=1.17) USER MOD Set 6.1: A 73 ASN :FLIP amide:sc= 0.446 F(o=-0.78,f=1.2) USER MOD Set 6.2: A 128 ASN :FLIP amide:sc= 0.761 F(o=-0.89,f=1.2) USER MOD Set 7.1: A 16 THR OG1 : rot -164:sc= 0.957 USER MOD Set 7.2: A 25 GLN : amide:sc= 0.205 K(o=1.2,f=0.51) USER MOD Set 8.1: A 7 HIS : no HD1:sc= 0.2 K(o=-0.43,f=-3.5!) USER MOD Set 8.2: A 9 MET CE :methyl 176:sc= -0.432 (180deg=-0.219) USER MOD Set 8.3: A 85 GLN : amide:sc= -0.195 K(o=-0.43,f=-6.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.122) USER MOD Single : A 3 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-0.97) USER MOD Single : A 4 HIS : no HD1:sc= 0.279 K(o=0.28,f=-4.8!) USER MOD Single : A 5 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.12) USER MOD Single : A 6 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.564 K(o=0.56,f=-2.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 15 GLN : amide:sc= -0.54 K(o=-0.54,f=-1.5) USER MOD Single : A 17 GLN : amide:sc= -0.0197 K(o=-0.02,f=-0.98) USER MOD Single : A 21 SER OG : rot -18:sc= 0.918 USER MOD Single : A 22 MET CE :methyl -133:sc= -0.012 (180deg=-0.191) USER MOD Single : A 29 SER OG : rot -3:sc= 0.859 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -1.21 (180deg=-3.65!) USER MOD Single : A 36 THR OG1 : rot -18:sc= 1.01 USER MOD Single : A 37 SER OG : rot -44:sc= 0.75 USER MOD Single : A 38 CYS SG : rot 43:sc= -1.87! USER MOD Single : A 39 ASN : amide:sc= -0.0865 X(o=-0.086,f=-0.47) USER MOD Single : A 53 CYS SG : rot 180:sc= -1.81! USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -144:sc= 0.706 USER MOD Single : A 62 GLN : amide:sc= -2.99! C(o=-3!,f=-4!) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= 0.971 (180deg=0.652) USER MOD Single : A 68 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.33) USER MOD Single : A 69 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.09 K(o=-1.1,f=-3.1!) USER MOD Single : A 84 ASN :FLIP amide:sc= -1.82! C(o=-3.9!,f=-1.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.8) USER MOD Single : A 91 TYR OH : rot 30:sc=-0.00132 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00186 USER MOD Single : A 98 THR OG1 : rot -100:sc= -0.57 USER MOD Single : A 101 MET CE :methyl -177:sc= -1.42 (180deg=-1.47) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= -0.0901 (180deg=-0.439) USER MOD Single : A 109 SER OG : rot 110:sc= -0.642 USER MOD Single : A 117 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 2.37 (180deg=2.37) USER MOD Single : A 121 SER OG : rot 88:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.243 -8.231 1.639 1.00 21.52 N ATOM 2 CA MET A 1 1.028 -8.116 0.886 1.00 13.11 C ATOM 3 C MET A 1 1.802 -9.426 0.957 1.00 44.12 C ATOM 4 O MET A 1 2.267 -9.822 2.027 1.00 13.41 O ATOM 5 CB MET A 1 1.890 -6.972 1.445 1.00 2.50 C ATOM 6 CG MET A 1 1.286 -5.586 1.259 1.00 32.03 C ATOM 7 SD MET A 1 2.271 -4.293 2.046 1.00 51.40 S ATOM 8 CE MET A 1 1.341 -2.830 1.594 1.00 1.50 C ATOM 0 H1 MET A 1 -0.851 -7.417 1.420 1.00 21.52 H new ATOM 0 H2 MET A 1 -0.729 -9.109 1.368 1.00 21.52 H new ATOM 0 H3 MET A 1 -0.042 -8.248 2.659 1.00 21.52 H new ATOM 0 HA MET A 1 0.789 -7.897 -0.155 1.00 13.11 H new ATOM 0 HB2 MET A 1 2.056 -7.144 2.508 1.00 2.50 H new ATOM 0 HB3 MET A 1 2.866 -6.998 0.961 1.00 2.50 H new ATOM 0 HG2 MET A 1 1.196 -5.372 0.194 1.00 32.03 H new ATOM 0 HG3 MET A 1 0.278 -5.574 1.673 1.00 32.03 H new ATOM 0 HE1 MET A 1 1.827 -1.947 2.009 1.00 1.50 H new ATOM 0 HE2 MET A 1 1.301 -2.745 0.508 1.00 1.50 H new ATOM 0 HE3 MET A 1 0.328 -2.906 1.990 1.00 1.50 H new ATOM 20 N ALA A 2 1.936 -10.094 -0.185 1.00 22.31 N ATOM 21 CA ALA A 2 2.643 -11.366 -0.258 1.00 11.34 C ATOM 22 C ALA A 2 4.107 -11.198 0.154 1.00 74.33 C ATOM 23 O ALA A 2 4.923 -10.687 -0.615 1.00 25.22 O ATOM 24 CB ALA A 2 2.541 -11.947 -1.665 1.00 32.01 C ATOM 0 H ALA A 2 1.561 -9.772 -1.077 1.00 22.31 H new ATOM 0 HA ALA A 2 2.175 -12.062 0.439 1.00 11.34 H new ATOM 0 HB1 ALA A 2 3.073 -12.897 -1.706 1.00 32.01 H new ATOM 0 HB2 ALA A 2 1.493 -12.107 -1.917 1.00 32.01 H new ATOM 0 HB3 ALA A 2 2.984 -11.252 -2.379 1.00 32.01 H new ATOM 30 N HIS A 3 4.422 -11.594 1.386 1.00 62.41 N ATOM 31 CA HIS A 3 5.789 -11.514 1.901 1.00 12.35 C ATOM 32 C HIS A 3 6.574 -12.765 1.513 1.00 0.52 C ATOM 33 O HIS A 3 6.075 -13.887 1.645 1.00 35.13 O ATOM 34 CB HIS A 3 5.795 -11.364 3.434 1.00 20.51 C ATOM 35 CG HIS A 3 5.139 -10.111 3.941 1.00 73.01 C ATOM 36 ND1 HIS A 3 3.822 -10.063 4.345 1.00 51.45 N ATOM 37 CD2 HIS A 3 5.633 -8.864 4.137 1.00 33.12 C ATOM 38 CE1 HIS A 3 3.535 -8.844 4.765 1.00 61.44 C ATOM 39 NE2 HIS A 3 4.616 -8.097 4.650 1.00 15.13 N ATOM 0 H HIS A 3 3.747 -11.975 2.049 1.00 62.41 H new ATOM 0 HA HIS A 3 6.260 -10.635 1.461 1.00 12.35 H new ATOM 0 HB2 HIS A 3 5.291 -12.225 3.872 1.00 20.51 H new ATOM 0 HB3 HIS A 3 6.827 -11.386 3.784 1.00 20.51 H new ATOM 0 HD2 HIS A 3 6.640 -8.535 3.928 1.00 33.12 H new ATOM 0 HE1 HIS A 3 2.577 -8.515 5.139 1.00 61.44 H new ATOM 0 HE2 HIS A 3 4.685 -7.111 4.901 1.00 15.13 H new ATOM 48 N HIS A 4 7.797 -12.574 1.029 1.00 1.43 N ATOM 49 CA HIS A 4 8.686 -13.694 0.727 1.00 14.13 C ATOM 50 C HIS A 4 9.982 -13.550 1.521 1.00 43.23 C ATOM 51 O HIS A 4 10.696 -12.558 1.386 1.00 72.22 O ATOM 52 CB HIS A 4 8.969 -13.792 -0.786 1.00 33.20 C ATOM 53 CG HIS A 4 9.751 -12.643 -1.361 1.00 23.33 C ATOM 54 ND1 HIS A 4 9.183 -11.436 -1.699 1.00 43.34 N ATOM 55 CD2 HIS A 4 11.067 -12.532 -1.666 1.00 5.21 C ATOM 56 CE1 HIS A 4 10.112 -10.635 -2.188 1.00 2.14 C ATOM 57 NE2 HIS A 4 11.261 -11.276 -2.179 1.00 75.42 N ATOM 0 H HIS A 4 8.196 -11.655 0.837 1.00 1.43 H new ATOM 0 HA HIS A 4 8.193 -14.620 1.022 1.00 14.13 H new ATOM 0 HB2 HIS A 4 9.514 -14.716 -0.980 1.00 33.20 H new ATOM 0 HB3 HIS A 4 8.018 -13.866 -1.314 1.00 33.20 H new ATOM 0 HD2 HIS A 4 11.822 -13.292 -1.530 1.00 5.21 H new ATOM 0 HE1 HIS A 4 9.955 -9.625 -2.536 1.00 2.14 H new ATOM 0 HE2 HIS A 4 12.152 -10.899 -2.502 1.00 75.42 H new ATOM 66 N HIS A 5 10.260 -14.533 2.372 1.00 55.24 N ATOM 67 CA HIS A 5 11.456 -14.524 3.218 1.00 52.15 C ATOM 68 C HIS A 5 12.213 -15.834 3.052 1.00 4.20 C ATOM 69 O HIS A 5 11.649 -16.909 3.263 1.00 34.12 O ATOM 70 CB HIS A 5 11.080 -14.300 4.694 1.00 54.55 C ATOM 71 CG HIS A 5 10.083 -15.289 5.229 1.00 74.22 C ATOM 72 ND1 HIS A 5 10.431 -16.392 5.976 1.00 65.35 N ATOM 73 CD2 HIS A 5 8.734 -15.328 5.118 1.00 41.31 C ATOM 74 CE1 HIS A 5 9.344 -17.065 6.297 1.00 73.10 C ATOM 75 NE2 HIS A 5 8.300 -16.440 5.791 1.00 40.32 N ATOM 0 H HIS A 5 9.669 -15.355 2.497 1.00 55.24 H new ATOM 0 HA HIS A 5 12.099 -13.701 2.907 1.00 52.15 H new ATOM 0 HB2 HIS A 5 11.985 -14.348 5.300 1.00 54.55 H new ATOM 0 HB3 HIS A 5 10.675 -13.294 4.806 1.00 54.55 H new ATOM 0 HD2 HIS A 5 8.114 -14.614 4.595 1.00 41.31 H new ATOM 0 HE1 HIS A 5 9.314 -17.975 6.877 1.00 73.10 H new ATOM 0 HE2 HIS A 5 7.328 -16.735 5.885 1.00 40.32 H new ATOM 84 N HIS A 6 13.484 -15.736 2.675 1.00 45.04 N ATOM 85 CA HIS A 6 14.287 -16.911 2.346 1.00 23.25 C ATOM 86 C HIS A 6 15.742 -16.512 2.114 1.00 11.33 C ATOM 87 O HIS A 6 16.014 -15.500 1.475 1.00 62.35 O ATOM 88 CB HIS A 6 13.718 -17.593 1.087 1.00 11.14 C ATOM 89 CG HIS A 6 14.490 -18.787 0.611 1.00 51.50 C ATOM 90 ND1 HIS A 6 14.194 -20.078 0.989 1.00 33.30 N ATOM 91 CD2 HIS A 6 15.535 -18.878 -0.243 1.00 71.20 C ATOM 92 CE1 HIS A 6 15.020 -20.911 0.385 1.00 34.24 C ATOM 93 NE2 HIS A 6 15.845 -20.208 -0.368 1.00 33.41 N ATOM 0 H HIS A 6 13.983 -14.851 2.589 1.00 45.04 H new ATOM 0 HA HIS A 6 14.249 -17.611 3.181 1.00 23.25 H new ATOM 0 HB2 HIS A 6 12.692 -17.900 1.290 1.00 11.14 H new ATOM 0 HB3 HIS A 6 13.678 -16.860 0.281 1.00 11.14 H new ATOM 0 HD2 HIS A 6 16.033 -18.056 -0.735 1.00 71.20 H new ATOM 0 HE1 HIS A 6 15.021 -21.986 0.489 1.00 34.24 H new ATOM 0 HE2 HIS A 6 16.591 -20.591 -0.948 1.00 33.41 H new ATOM 102 N HIS A 7 16.666 -17.305 2.650 1.00 43.12 N ATOM 103 CA HIS A 7 18.094 -17.124 2.391 1.00 15.04 C ATOM 104 C HIS A 7 18.855 -18.379 2.807 1.00 65.21 C ATOM 105 O HIS A 7 18.831 -18.773 3.976 1.00 35.25 O ATOM 106 CB HIS A 7 18.655 -15.875 3.102 1.00 53.14 C ATOM 107 CG HIS A 7 18.719 -15.963 4.600 1.00 15.21 C ATOM 108 ND1 HIS A 7 17.602 -16.002 5.406 1.00 64.31 N ATOM 109 CD2 HIS A 7 19.785 -15.987 5.441 1.00 53.03 C ATOM 110 CE1 HIS A 7 17.976 -16.044 6.673 1.00 3.15 C ATOM 111 NE2 HIS A 7 19.293 -16.036 6.722 1.00 44.33 N ATOM 0 H HIS A 7 16.450 -18.085 3.271 1.00 43.12 H new ATOM 0 HA HIS A 7 18.228 -16.963 1.321 1.00 15.04 H new ATOM 0 HB2 HIS A 7 19.658 -15.681 2.723 1.00 53.14 H new ATOM 0 HB3 HIS A 7 18.041 -15.016 2.831 1.00 53.14 H new ATOM 0 HD2 HIS A 7 20.826 -15.971 5.155 1.00 53.03 H new ATOM 0 HE1 HIS A 7 17.313 -16.079 7.525 1.00 3.15 H new ATOM 0 HE2 HIS A 7 19.855 -16.062 7.573 1.00 44.33 H new ATOM 120 N HIS A 8 19.504 -19.017 1.839 1.00 30.33 N ATOM 121 CA HIS A 8 20.241 -20.255 2.092 1.00 53.25 C ATOM 122 C HIS A 8 21.563 -19.956 2.794 1.00 10.41 C ATOM 123 O HIS A 8 22.074 -18.837 2.713 1.00 63.33 O ATOM 124 CB HIS A 8 20.509 -21.009 0.776 1.00 55.51 C ATOM 125 CG HIS A 8 21.561 -20.379 -0.097 1.00 71.34 C ATOM 126 ND1 HIS A 8 21.273 -19.491 -1.109 1.00 13.03 N ATOM 127 CD2 HIS A 8 22.910 -20.519 -0.098 1.00 55.32 C ATOM 128 CE1 HIS A 8 22.394 -19.117 -1.696 1.00 54.25 C ATOM 129 NE2 HIS A 8 23.404 -19.724 -1.100 1.00 1.31 N ATOM 0 H HIS A 8 19.536 -18.699 0.870 1.00 30.33 H new ATOM 0 HA HIS A 8 19.630 -20.885 2.739 1.00 53.25 H new ATOM 0 HB2 HIS A 8 20.812 -22.029 1.011 1.00 55.51 H new ATOM 0 HB3 HIS A 8 19.578 -21.075 0.213 1.00 55.51 H new ATOM 0 HD1 HIS A 8 20.339 -19.172 -1.365 1.00 13.03 H new ATOM 0 HD2 HIS A 8 23.489 -21.142 0.568 1.00 55.32 H new ATOM 0 HE1 HIS A 8 22.472 -18.429 -2.525 1.00 54.25 H new ATOM 138 N MET A 9 22.108 -20.956 3.475 1.00 44.14 N ATOM 139 CA MET A 9 23.427 -20.843 4.090 1.00 54.31 C ATOM 140 C MET A 9 24.441 -21.573 3.217 1.00 1.20 C ATOM 141 O MET A 9 24.222 -22.729 2.847 1.00 2.44 O ATOM 142 CB MET A 9 23.422 -21.453 5.501 1.00 61.33 C ATOM 143 CG MET A 9 22.303 -20.939 6.397 1.00 42.25 C ATOM 144 SD MET A 9 22.357 -19.153 6.643 1.00 3.21 S ATOM 145 CE MET A 9 20.893 -18.916 7.646 1.00 43.21 C ATOM 0 H MET A 9 21.655 -21.859 3.617 1.00 44.14 H new ATOM 0 HA MET A 9 23.694 -19.790 4.174 1.00 54.31 H new ATOM 0 HB2 MET A 9 23.336 -22.536 5.416 1.00 61.33 H new ATOM 0 HB3 MET A 9 24.380 -21.245 5.978 1.00 61.33 H new ATOM 0 HG2 MET A 9 21.342 -21.211 5.960 1.00 42.25 H new ATOM 0 HG3 MET A 9 22.364 -21.435 7.366 1.00 42.25 H new ATOM 0 HE1 MET A 9 20.822 -17.870 7.944 1.00 43.21 H new ATOM 0 HE2 MET A 9 20.009 -19.190 7.070 1.00 43.21 H new ATOM 0 HE3 MET A 9 20.956 -19.544 8.535 1.00 43.21 H new ATOM 155 N GLY A 10 25.529 -20.901 2.867 1.00 12.31 N ATOM 156 CA GLY A 10 26.554 -21.516 2.044 1.00 54.42 C ATOM 157 C GLY A 10 27.501 -22.366 2.870 1.00 24.24 C ATOM 158 O GLY A 10 27.067 -23.125 3.741 1.00 15.41 O ATOM 0 H GLY A 10 25.722 -19.937 3.139 1.00 12.31 H new ATOM 0 HA2 GLY A 10 26.084 -22.134 1.279 1.00 54.42 H new ATOM 0 HA3 GLY A 10 27.119 -20.741 1.526 1.00 54.42 H new ATOM 162 N THR A 11 28.796 -22.253 2.596 1.00 31.42 N ATOM 163 CA THR A 11 29.810 -22.976 3.353 1.00 44.45 C ATOM 164 C THR A 11 31.123 -22.190 3.342 1.00 53.54 C ATOM 165 O THR A 11 32.122 -22.607 2.749 1.00 31.34 O ATOM 166 CB THR A 11 30.027 -24.402 2.785 1.00 50.22 C ATOM 167 OG1 THR A 11 28.752 -25.032 2.573 1.00 32.10 O ATOM 168 CG2 THR A 11 30.859 -25.262 3.734 1.00 62.43 C ATOM 0 H THR A 11 29.169 -21.664 1.851 1.00 31.42 H new ATOM 0 HA THR A 11 29.462 -23.079 4.381 1.00 44.45 H new ATOM 0 HB THR A 11 30.567 -24.311 1.843 1.00 50.22 H new ATOM 0 HG1 THR A 11 28.888 -25.933 2.212 1.00 32.10 H new ATOM 0 HG21 THR A 11 30.991 -26.255 3.304 1.00 62.43 H new ATOM 0 HG22 THR A 11 31.834 -24.799 3.884 1.00 62.43 H new ATOM 0 HG23 THR A 11 30.346 -25.347 4.692 1.00 62.43 H new ATOM 176 N LEU A 12 31.092 -21.024 3.977 1.00 73.13 N ATOM 177 CA LEU A 12 32.257 -20.147 4.061 1.00 5.11 C ATOM 178 C LEU A 12 32.841 -20.170 5.468 1.00 53.02 C ATOM 179 O LEU A 12 32.299 -20.817 6.369 1.00 73.11 O ATOM 180 CB LEU A 12 31.884 -18.702 3.668 1.00 11.14 C ATOM 181 CG LEU A 12 31.741 -18.423 2.157 1.00 75.13 C ATOM 182 CD1 LEU A 12 33.054 -18.704 1.432 1.00 12.03 C ATOM 183 CD2 LEU A 12 30.597 -19.235 1.547 1.00 42.35 C ATOM 0 H LEU A 12 30.263 -20.660 4.447 1.00 73.13 H new ATOM 0 HA LEU A 12 33.008 -20.514 3.361 1.00 5.11 H new ATOM 0 HB2 LEU A 12 30.942 -18.447 4.154 1.00 11.14 H new ATOM 0 HB3 LEU A 12 32.643 -18.031 4.070 1.00 11.14 H new ATOM 0 HG LEU A 12 31.499 -17.367 2.033 1.00 75.13 H new ATOM 0 HD11 LEU A 12 32.933 -18.501 0.368 1.00 12.03 H new ATOM 0 HD12 LEU A 12 33.837 -18.063 1.836 1.00 12.03 H new ATOM 0 HD13 LEU A 12 33.331 -19.749 1.573 1.00 12.03 H new ATOM 0 HD21 LEU A 12 30.523 -19.016 0.482 1.00 42.35 H new ATOM 0 HD22 LEU A 12 30.791 -20.299 1.686 1.00 42.35 H new ATOM 0 HD23 LEU A 12 29.661 -18.970 2.038 1.00 42.35 H new ATOM 195 N GLU A 13 33.961 -19.482 5.636 1.00 62.41 N ATOM 196 CA GLU A 13 34.590 -19.316 6.938 1.00 51.25 C ATOM 197 C GLU A 13 35.363 -18.004 6.956 1.00 24.30 C ATOM 198 O GLU A 13 36.429 -17.894 6.341 1.00 4.14 O ATOM 199 CB GLU A 13 35.540 -20.481 7.246 1.00 60.51 C ATOM 200 CG GLU A 13 36.186 -20.392 8.628 1.00 54.24 C ATOM 201 CD GLU A 13 37.349 -21.353 8.801 1.00 2.23 C ATOM 202 OE1 GLU A 13 38.514 -20.916 8.659 1.00 53.43 O ATOM 203 OE2 GLU A 13 37.112 -22.548 9.069 1.00 12.44 O1- ATOM 0 H GLU A 13 34.459 -19.023 4.873 1.00 62.41 H new ATOM 0 HA GLU A 13 33.812 -19.303 7.702 1.00 51.25 H new ATOM 0 HB2 GLU A 13 34.989 -21.418 7.171 1.00 60.51 H new ATOM 0 HB3 GLU A 13 36.323 -20.510 6.489 1.00 60.51 H new ATOM 0 HG2 GLU A 13 36.536 -19.373 8.795 1.00 54.24 H new ATOM 0 HG3 GLU A 13 35.434 -20.600 9.389 1.00 54.24 H new ATOM 210 N ALA A 14 34.818 -17.009 7.635 1.00 64.34 N ATOM 211 CA ALA A 14 35.455 -15.706 7.738 1.00 30.23 C ATOM 212 C ALA A 14 35.820 -15.399 9.185 1.00 34.43 C ATOM 213 O ALA A 14 35.021 -14.836 9.938 1.00 12.41 O ATOM 214 CB ALA A 14 34.549 -14.619 7.167 1.00 25.43 C ATOM 0 H ALA A 14 33.928 -17.080 8.128 1.00 64.34 H new ATOM 0 HA ALA A 14 36.374 -15.727 7.152 1.00 30.23 H new ATOM 0 HB1 ALA A 14 35.043 -13.651 7.253 1.00 25.43 H new ATOM 0 HB2 ALA A 14 34.345 -14.830 6.117 1.00 25.43 H new ATOM 0 HB3 ALA A 14 33.611 -14.598 7.722 1.00 25.43 H new ATOM 220 N GLN A 15 37.017 -15.815 9.582 1.00 44.24 N ATOM 221 CA GLN A 15 37.552 -15.474 10.895 1.00 71.20 C ATOM 222 C GLN A 15 38.249 -14.116 10.811 1.00 60.31 C ATOM 223 O GLN A 15 39.007 -13.857 9.871 1.00 23.11 O ATOM 224 CB GLN A 15 38.507 -16.580 11.399 1.00 34.12 C ATOM 225 CG GLN A 15 39.722 -16.844 10.505 1.00 12.15 C ATOM 226 CD GLN A 15 40.910 -15.942 10.810 1.00 32.33 C ATOM 227 OE1 GLN A 15 41.134 -15.549 11.959 1.00 32.13 O ATOM 228 NE2 GLN A 15 41.668 -15.595 9.783 1.00 20.41 N ATOM 0 H GLN A 15 37.637 -16.390 9.012 1.00 44.24 H new ATOM 0 HA GLN A 15 36.740 -15.404 11.618 1.00 71.20 H new ATOM 0 HB2 GLN A 15 38.859 -16.309 12.394 1.00 34.12 H new ATOM 0 HB3 GLN A 15 37.943 -17.507 11.502 1.00 34.12 H new ATOM 0 HG2 GLN A 15 40.027 -17.884 10.619 1.00 12.15 H new ATOM 0 HG3 GLN A 15 39.432 -16.709 9.463 1.00 12.15 H new ATOM 0 HE21 GLN A 15 41.450 -15.941 8.848 1.00 20.41 H new ATOM 0 HE22 GLN A 15 42.470 -14.982 9.926 1.00 20.41 H new ATOM 237 N THR A 16 37.968 -13.239 11.766 1.00 63.32 N ATOM 238 CA THR A 16 38.499 -11.884 11.729 1.00 23.10 C ATOM 239 C THR A 16 39.211 -11.532 13.034 1.00 72.24 C ATOM 240 O THR A 16 39.199 -12.312 13.992 1.00 11.45 O ATOM 241 CB THR A 16 37.381 -10.853 11.443 1.00 33.24 C ATOM 242 OG1 THR A 16 37.957 -9.558 11.224 1.00 74.34 O ATOM 243 CG2 THR A 16 36.376 -10.781 12.591 1.00 53.14 C ATOM 0 H THR A 16 37.377 -13.441 12.573 1.00 63.32 H new ATOM 0 HA THR A 16 39.225 -11.844 10.917 1.00 23.10 H new ATOM 0 HB THR A 16 36.849 -11.177 10.549 1.00 33.24 H new ATOM 0 HG1 THR A 16 37.260 -8.873 11.298 1.00 74.34 H new ATOM 0 HG21 THR A 16 35.606 -10.047 12.355 1.00 53.14 H new ATOM 0 HG22 THR A 16 35.915 -11.758 12.732 1.00 53.14 H new ATOM 0 HG23 THR A 16 36.890 -10.486 13.506 1.00 53.14 H new ATOM 251 N GLN A 17 39.828 -10.355 13.057 1.00 54.32 N ATOM 252 CA GLN A 17 40.595 -9.892 14.205 1.00 3.45 C ATOM 253 C GLN A 17 40.776 -8.373 14.140 1.00 60.11 C ATOM 254 O GLN A 17 41.570 -7.853 13.348 1.00 31.42 O ATOM 255 CB GLN A 17 41.949 -10.618 14.264 1.00 22.14 C ATOM 256 CG GLN A 17 42.734 -10.581 12.955 1.00 45.55 C ATOM 257 CD GLN A 17 43.958 -11.477 12.978 1.00 61.10 C ATOM 258 OE1 GLN A 17 43.974 -12.504 13.660 1.00 73.13 O ATOM 259 NE2 GLN A 17 44.984 -11.104 12.232 1.00 30.32 N ATOM 0 H GLN A 17 39.809 -9.696 12.279 1.00 54.32 H new ATOM 0 HA GLN A 17 40.050 -10.125 15.120 1.00 3.45 H new ATOM 0 HB2 GLN A 17 42.555 -10.170 15.051 1.00 22.14 H new ATOM 0 HB3 GLN A 17 41.780 -11.658 14.544 1.00 22.14 H new ATOM 0 HG2 GLN A 17 42.082 -10.886 12.137 1.00 45.55 H new ATOM 0 HG3 GLN A 17 43.043 -9.556 12.751 1.00 45.55 H new ATOM 0 HE21 GLN A 17 44.930 -10.247 11.682 1.00 30.32 H new ATOM 0 HE22 GLN A 17 45.830 -11.674 12.206 1.00 30.32 H new ATOM 268 N GLY A 18 40.001 -7.667 14.951 1.00 72.22 N ATOM 269 CA GLY A 18 40.056 -6.216 14.989 1.00 55.13 C ATOM 270 C GLY A 18 39.050 -5.654 15.979 1.00 64.22 C ATOM 271 O GLY A 18 38.054 -5.054 15.573 1.00 30.12 O ATOM 0 H GLY A 18 39.325 -8.079 15.593 1.00 72.22 H new ATOM 0 HA2 GLY A 18 41.060 -5.895 15.265 1.00 55.13 H new ATOM 0 HA3 GLY A 18 39.855 -5.816 13.995 1.00 55.13 H new ATOM 275 N PRO A 19 39.297 -5.839 17.292 1.00 61.33 N ATOM 276 CA PRO A 19 38.348 -5.467 18.353 1.00 31.03 C ATOM 277 C PRO A 19 37.944 -3.989 18.302 1.00 73.22 C ATOM 278 O PRO A 19 38.698 -3.138 17.819 1.00 64.32 O ATOM 279 CB PRO A 19 39.107 -5.791 19.654 1.00 42.22 C ATOM 280 CG PRO A 19 40.539 -5.874 19.252 1.00 30.32 C ATOM 281 CD PRO A 19 40.536 -6.410 17.849 1.00 12.32 C ATOM 0 HA PRO A 19 37.406 -6.007 18.256 1.00 31.03 H new ATOM 0 HB2 PRO A 19 38.952 -5.017 20.405 1.00 42.22 H new ATOM 0 HB3 PRO A 19 38.764 -6.730 20.088 1.00 42.22 H new ATOM 0 HG2 PRO A 19 41.016 -4.895 19.296 1.00 30.32 H new ATOM 0 HG3 PRO A 19 41.096 -6.530 19.921 1.00 30.32 H new ATOM 0 HD2 PRO A 19 41.416 -6.091 17.291 1.00 12.32 H new ATOM 0 HD3 PRO A 19 40.525 -7.500 17.831 1.00 12.32 H new ATOM 289 N GLY A 20 36.754 -3.699 18.822 1.00 14.03 N ATOM 290 CA GLY A 20 36.193 -2.360 18.740 1.00 23.20 C ATOM 291 C GLY A 20 35.362 -2.207 17.482 1.00 44.31 C ATOM 292 O GLY A 20 34.136 -2.042 17.546 1.00 71.45 O ATOM 0 H GLY A 20 36.162 -4.376 19.304 1.00 14.03 H new ATOM 0 HA2 GLY A 20 35.575 -2.164 19.617 1.00 23.20 H new ATOM 0 HA3 GLY A 20 36.996 -1.623 18.744 1.00 23.20 H new ATOM 296 N SER A 21 36.048 -2.268 16.343 1.00 25.11 N ATOM 297 CA SER A 21 35.418 -2.338 15.026 1.00 40.32 C ATOM 298 C SER A 21 34.559 -1.111 14.694 1.00 44.21 C ATOM 299 O SER A 21 34.055 -0.404 15.575 1.00 3.03 O ATOM 300 CB SER A 21 34.569 -3.614 14.927 1.00 64.02 C ATOM 301 OG SER A 21 35.320 -4.750 15.317 1.00 4.12 O ATOM 0 H SER A 21 37.067 -2.270 16.308 1.00 25.11 H new ATOM 0 HA SER A 21 36.224 -2.358 14.293 1.00 40.32 H new ATOM 0 HB2 SER A 21 33.688 -3.520 15.562 1.00 64.02 H new ATOM 0 HB3 SER A 21 34.213 -3.741 13.904 1.00 64.02 H new ATOM 0 HG SER A 21 36.276 -4.535 15.291 1.00 4.12 H new ATOM 307 N MET A 22 34.413 -0.865 13.398 1.00 43.05 N ATOM 308 CA MET A 22 33.481 0.132 12.880 1.00 51.12 C ATOM 309 C MET A 22 32.875 -0.401 11.583 1.00 73.25 C ATOM 310 O MET A 22 31.650 -0.438 11.422 1.00 62.55 O ATOM 311 CB MET A 22 34.173 1.496 12.665 1.00 23.43 C ATOM 312 CG MET A 22 35.271 1.499 11.605 1.00 33.12 C ATOM 313 SD MET A 22 36.570 0.288 11.936 1.00 23.33 S ATOM 314 CE MET A 22 37.294 0.947 13.440 1.00 34.23 C ATOM 0 H MET A 22 34.939 -1.353 12.673 1.00 43.05 H new ATOM 0 HA MET A 22 32.688 0.303 13.608 1.00 51.12 H new ATOM 0 HB2 MET A 22 33.417 2.231 12.387 1.00 23.43 H new ATOM 0 HB3 MET A 22 34.602 1.823 13.612 1.00 23.43 H new ATOM 0 HG2 MET A 22 34.829 1.293 10.630 1.00 33.12 H new ATOM 0 HG3 MET A 22 35.714 2.494 11.550 1.00 33.12 H new ATOM 0 HE1 MET A 22 38.380 0.955 13.348 1.00 34.23 H new ATOM 0 HE2 MET A 22 36.936 1.964 13.601 1.00 34.23 H new ATOM 0 HE3 MET A 22 37.006 0.323 14.286 1.00 34.23 H new ATOM 324 N ILE A 23 33.754 -0.847 10.679 1.00 42.44 N ATOM 325 CA ILE A 23 33.359 -1.511 9.441 1.00 1.10 C ATOM 326 C ILE A 23 33.992 -2.904 9.427 1.00 42.43 C ATOM 327 O ILE A 23 35.083 -3.093 8.887 1.00 24.42 O ATOM 328 CB ILE A 23 33.826 -0.725 8.180 1.00 74.40 C ATOM 329 CG1 ILE A 23 33.488 0.777 8.296 1.00 60.24 C ATOM 330 CG2 ILE A 23 33.202 -1.318 6.915 1.00 61.41 C ATOM 331 CD1 ILE A 23 32.007 1.088 8.371 1.00 31.13 C ATOM 0 H ILE A 23 34.764 -0.755 10.790 1.00 42.44 H new ATOM 0 HA ILE A 23 32.271 -1.565 9.408 1.00 1.10 H new ATOM 0 HB ILE A 23 34.910 -0.819 8.112 1.00 74.40 H new ATOM 0 HG12 ILE A 23 33.975 1.178 9.185 1.00 60.24 H new ATOM 0 HG13 ILE A 23 33.912 1.298 7.438 1.00 60.24 H new ATOM 0 HG21 ILE A 23 33.540 -0.756 6.045 1.00 61.41 H new ATOM 0 HG22 ILE A 23 33.505 -2.360 6.814 1.00 61.41 H new ATOM 0 HG23 ILE A 23 32.116 -1.261 6.984 1.00 61.41 H new ATOM 0 HD11 ILE A 23 31.865 2.166 8.451 1.00 31.13 H new ATOM 0 HD12 ILE A 23 31.512 0.722 7.471 1.00 31.13 H new ATOM 0 HD13 ILE A 23 31.577 0.600 9.245 1.00 31.13 H new ATOM 343 N GLU A 24 33.332 -3.860 10.072 1.00 53.10 N ATOM 344 CA GLU A 24 33.902 -5.190 10.283 1.00 62.31 C ATOM 345 C GLU A 24 33.627 -6.107 9.085 1.00 4.33 C ATOM 346 O GLU A 24 32.662 -5.911 8.340 1.00 70.25 O ATOM 347 CB GLU A 24 33.336 -5.796 11.580 1.00 41.52 C ATOM 348 CG GLU A 24 33.958 -7.135 11.976 1.00 71.41 C ATOM 349 CD GLU A 24 35.456 -7.039 12.224 1.00 33.32 C ATOM 350 OE1 GLU A 24 35.860 -6.764 13.372 1.00 62.50 O ATOM 351 OE2 GLU A 24 36.236 -7.244 11.268 1.00 22.21 O1- ATOM 0 H GLU A 24 32.397 -3.739 10.460 1.00 53.10 H new ATOM 0 HA GLU A 24 34.984 -5.095 10.379 1.00 62.31 H new ATOM 0 HB2 GLU A 24 33.484 -5.086 12.393 1.00 41.52 H new ATOM 0 HB3 GLU A 24 32.260 -5.929 11.465 1.00 41.52 H new ATOM 0 HG2 GLU A 24 33.468 -7.506 12.877 1.00 71.41 H new ATOM 0 HG3 GLU A 24 33.771 -7.865 11.188 1.00 71.41 H new ATOM 358 N GLN A 25 34.486 -7.105 8.910 1.00 21.21 N ATOM 359 CA GLN A 25 34.385 -8.052 7.802 1.00 65.14 C ATOM 360 C GLN A 25 33.770 -9.372 8.273 1.00 34.31 C ATOM 361 O GLN A 25 34.242 -9.971 9.242 1.00 40.55 O ATOM 362 CB GLN A 25 35.782 -8.302 7.207 1.00 20.11 C ATOM 363 CG GLN A 25 36.843 -8.606 8.264 1.00 45.22 C ATOM 364 CD GLN A 25 38.198 -8.967 7.679 1.00 35.21 C ATOM 365 OE1 GLN A 25 38.559 -8.533 6.585 1.00 63.30 O ATOM 366 NE2 GLN A 25 38.970 -9.748 8.420 1.00 31.15 N ATOM 0 H GLN A 25 35.274 -7.282 9.533 1.00 21.21 H new ATOM 0 HA GLN A 25 33.736 -7.627 7.036 1.00 65.14 H new ATOM 0 HB2 GLN A 25 35.727 -9.136 6.507 1.00 20.11 H new ATOM 0 HB3 GLN A 25 36.088 -7.426 6.636 1.00 20.11 H new ATOM 0 HG2 GLN A 25 36.956 -7.738 8.913 1.00 45.22 H new ATOM 0 HG3 GLN A 25 36.496 -9.428 8.889 1.00 45.22 H new ATOM 0 HE21 GLN A 25 38.636 -10.088 9.322 1.00 31.15 H new ATOM 0 HE22 GLN A 25 39.899 -10.009 8.089 1.00 31.15 H new ATOM 375 N ILE A 26 32.710 -9.814 7.596 1.00 33.33 N ATOM 376 CA ILE A 26 32.104 -11.112 7.887 1.00 10.34 C ATOM 377 C ILE A 26 31.884 -11.892 6.598 1.00 31.30 C ATOM 378 O ILE A 26 32.116 -11.376 5.501 1.00 14.14 O ATOM 379 CB ILE A 26 30.758 -10.980 8.646 1.00 64.23 C ATOM 380 CG1 ILE A 26 29.745 -10.157 7.830 1.00 33.04 C ATOM 381 CG2 ILE A 26 30.979 -10.367 10.028 1.00 3.40 C ATOM 382 CD1 ILE A 26 28.384 -10.042 8.485 1.00 13.42 C ATOM 0 H ILE A 26 32.255 -9.294 6.845 1.00 33.33 H new ATOM 0 HA ILE A 26 32.799 -11.648 8.534 1.00 10.34 H new ATOM 0 HB ILE A 26 30.342 -11.978 8.781 1.00 64.23 H new ATOM 0 HG12 ILE A 26 30.147 -9.157 7.671 1.00 33.04 H new ATOM 0 HG13 ILE A 26 29.628 -10.613 6.847 1.00 33.04 H new ATOM 0 HG21 ILE A 26 30.023 -10.282 10.545 1.00 3.40 H new ATOM 0 HG22 ILE A 26 31.649 -11.004 10.606 1.00 3.40 H new ATOM 0 HG23 ILE A 26 31.422 -9.377 9.920 1.00 3.40 H new ATOM 0 HD11 ILE A 26 27.724 -9.449 7.852 1.00 13.42 H new ATOM 0 HD12 ILE A 26 27.960 -11.037 8.619 1.00 13.42 H new ATOM 0 HD13 ILE A 26 28.487 -9.558 9.456 1.00 13.42 H new ATOM 394 N GLY A 27 31.441 -13.133 6.738 1.00 12.23 N ATOM 395 CA GLY A 27 31.211 -13.988 5.591 1.00 12.32 C ATOM 396 C GLY A 27 29.775 -14.468 5.504 1.00 13.31 C ATOM 397 O GLY A 27 28.897 -13.964 6.206 1.00 3.52 O ATOM 0 H GLY A 27 31.234 -13.567 7.637 1.00 12.23 H new ATOM 0 HA2 GLY A 27 31.465 -13.445 4.680 1.00 12.32 H new ATOM 0 HA3 GLY A 27 31.876 -14.850 5.645 1.00 12.32 H new ATOM 401 N ASP A 28 29.552 -15.459 4.652 1.00 15.54 N ATOM 402 CA ASP A 28 28.217 -15.993 4.387 1.00 73.01 C ATOM 403 C ASP A 28 27.639 -16.722 5.602 1.00 71.42 C ATOM 404 O ASP A 28 26.522 -16.435 6.037 1.00 73.33 O ATOM 405 CB ASP A 28 28.292 -16.939 3.172 1.00 1.14 C ATOM 406 CG ASP A 28 27.250 -18.050 3.193 1.00 3.43 C ATOM 407 OD1 ASP A 28 26.152 -17.865 2.626 1.00 72.25 O ATOM 408 OD2 ASP A 28 27.543 -19.127 3.760 1.00 23.12 O1- ATOM 0 H ASP A 28 30.292 -15.919 4.122 1.00 15.54 H new ATOM 0 HA ASP A 28 27.546 -15.161 4.172 1.00 73.01 H new ATOM 0 HB2 ASP A 28 28.168 -16.355 2.260 1.00 1.14 H new ATOM 0 HB3 ASP A 28 29.285 -17.386 3.132 1.00 1.14 H new ATOM 413 N SER A 29 28.419 -17.634 6.171 1.00 64.12 N ATOM 414 CA SER A 29 27.913 -18.555 7.187 1.00 12.10 C ATOM 415 C SER A 29 27.756 -17.875 8.546 1.00 52.44 C ATOM 416 O SER A 29 26.867 -18.224 9.332 1.00 23.51 O ATOM 417 CB SER A 29 28.848 -19.761 7.291 1.00 53.55 C ATOM 418 OG SER A 29 28.980 -20.402 6.027 1.00 62.01 O ATOM 0 H SER A 29 29.406 -17.757 5.947 1.00 64.12 H new ATOM 0 HA SER A 29 26.921 -18.888 6.882 1.00 12.10 H new ATOM 0 HB2 SER A 29 29.827 -19.439 7.646 1.00 53.55 H new ATOM 0 HB3 SER A 29 28.459 -20.467 8.024 1.00 53.55 H new ATOM 0 HG SER A 29 28.407 -19.953 5.371 1.00 62.01 H new ATOM 424 N GLU A 30 28.616 -16.903 8.811 1.00 71.55 N ATOM 425 CA GLU A 30 28.603 -16.182 10.080 1.00 44.40 C ATOM 426 C GLU A 30 27.690 -14.962 10.003 1.00 14.02 C ATOM 427 O GLU A 30 27.308 -14.407 11.038 1.00 43.04 O ATOM 428 CB GLU A 30 30.027 -15.780 10.516 1.00 12.31 C ATOM 429 CG GLU A 30 30.943 -15.314 9.383 1.00 24.54 C ATOM 430 CD GLU A 30 31.496 -16.469 8.558 1.00 25.04 C ATOM 431 OE1 GLU A 30 31.053 -16.654 7.401 1.00 30.22 O ATOM 432 OE2 GLU A 30 32.363 -17.200 9.070 1.00 52.32 O1- ATOM 0 H GLU A 30 29.337 -16.592 8.160 1.00 71.55 H new ATOM 0 HA GLU A 30 28.206 -16.856 10.839 1.00 44.40 H new ATOM 0 HB2 GLU A 30 29.953 -14.982 11.255 1.00 12.31 H new ATOM 0 HB3 GLU A 30 30.493 -16.631 11.013 1.00 12.31 H new ATOM 0 HG2 GLU A 30 30.390 -14.639 8.730 1.00 24.54 H new ATOM 0 HG3 GLU A 30 31.772 -14.744 9.803 1.00 24.54 H new ATOM 439 N PHE A 31 27.325 -14.569 8.781 1.00 42.45 N ATOM 440 CA PHE A 31 26.421 -13.441 8.567 1.00 62.52 C ATOM 441 C PHE A 31 25.191 -13.573 9.458 1.00 32.30 C ATOM 442 O PHE A 31 25.050 -12.850 10.438 1.00 22.34 O ATOM 443 CB PHE A 31 26.004 -13.357 7.088 1.00 33.41 C ATOM 444 CG PHE A 31 24.885 -12.378 6.810 1.00 65.21 C ATOM 445 CD1 PHE A 31 25.073 -11.015 6.987 1.00 13.11 C ATOM 446 CD2 PHE A 31 23.643 -12.825 6.368 1.00 32.11 C ATOM 447 CE1 PHE A 31 24.051 -10.120 6.729 1.00 34.21 C ATOM 448 CE2 PHE A 31 22.620 -11.932 6.110 1.00 24.31 C ATOM 449 CZ PHE A 31 22.824 -10.579 6.292 1.00 25.34 C ATOM 0 H PHE A 31 27.644 -15.018 7.923 1.00 42.45 H new ATOM 0 HA PHE A 31 26.946 -12.522 8.830 1.00 62.52 H new ATOM 0 HB2 PHE A 31 26.873 -13.075 6.493 1.00 33.41 H new ATOM 0 HB3 PHE A 31 25.696 -14.347 6.753 1.00 33.41 H new ATOM 0 HD1 PHE A 31 26.029 -10.648 7.330 1.00 13.11 H new ATOM 0 HD2 PHE A 31 23.477 -13.882 6.225 1.00 32.11 H new ATOM 0 HE1 PHE A 31 24.212 -9.061 6.869 1.00 34.21 H new ATOM 0 HE2 PHE A 31 21.662 -12.293 5.766 1.00 24.31 H new ATOM 0 HZ PHE A 31 22.025 -9.880 6.093 1.00 25.34 H new ATOM 459 N ASP A 32 24.331 -14.529 9.141 1.00 61.31 N ATOM 460 CA ASP A 32 23.124 -14.766 9.929 1.00 45.50 C ATOM 461 C ASP A 32 23.502 -15.027 11.387 1.00 14.21 C ATOM 462 O ASP A 32 22.922 -14.442 12.315 1.00 52.23 O ATOM 463 CB ASP A 32 22.355 -15.966 9.355 1.00 71.43 C ATOM 464 CG ASP A 32 21.010 -16.197 10.031 1.00 33.32 C ATOM 465 OD1 ASP A 32 19.994 -15.653 9.539 1.00 30.35 O ATOM 466 OD2 ASP A 32 20.955 -16.921 11.048 1.00 10.25 O1- ATOM 0 H ASP A 32 24.444 -15.155 8.344 1.00 61.31 H new ATOM 0 HA ASP A 32 22.484 -13.885 9.883 1.00 45.50 H new ATOM 0 HB2 ASP A 32 22.196 -15.810 8.288 1.00 71.43 H new ATOM 0 HB3 ASP A 32 22.965 -16.863 9.459 1.00 71.43 H new ATOM 471 N ASN A 33 24.550 -15.840 11.544 1.00 42.11 N ATOM 472 CA ASN A 33 24.979 -16.371 12.839 1.00 40.13 C ATOM 473 C ASN A 33 25.170 -15.275 13.884 1.00 54.13 C ATOM 474 O ASN A 33 24.803 -15.455 15.043 1.00 63.41 O ATOM 475 CB ASN A 33 26.294 -17.145 12.674 1.00 53.12 C ATOM 476 CG ASN A 33 26.712 -17.877 13.940 1.00 53.42 C ATOM 477 OD1 ASN A 33 27.405 -17.323 14.794 1.00 25.11 O ATOM 478 ND2 ASN A 33 26.306 -19.131 14.063 1.00 4.52 N ATOM 0 H ASN A 33 25.131 -16.151 10.766 1.00 42.11 H new ATOM 0 HA ASN A 33 24.188 -17.033 13.192 1.00 40.13 H new ATOM 0 HB2 ASN A 33 26.187 -17.865 11.863 1.00 53.12 H new ATOM 0 HB3 ASN A 33 27.084 -16.452 12.383 1.00 53.12 H new ATOM 0 HD21 ASN A 33 26.566 -19.673 14.887 1.00 4.52 H new ATOM 0 HD22 ASN A 33 25.733 -19.555 13.334 1.00 4.52 H new ATOM 485 N LYS A 34 25.757 -14.149 13.483 1.00 13.43 N ATOM 486 CA LYS A 34 26.044 -13.071 14.433 1.00 32.34 C ATOM 487 C LYS A 34 25.208 -11.821 14.160 1.00 25.21 C ATOM 488 O LYS A 34 25.039 -10.986 15.045 1.00 32.11 O ATOM 489 CB LYS A 34 27.540 -12.736 14.408 1.00 44.33 C ATOM 490 CG LYS A 34 28.035 -12.183 13.075 1.00 53.44 C ATOM 491 CD LYS A 34 29.557 -12.260 12.944 1.00 44.33 C ATOM 492 CE LYS A 34 30.295 -11.347 13.930 1.00 41.23 C ATOM 493 NZ LYS A 34 30.214 -11.822 15.341 1.00 33.12 N1+ ATOM 0 H LYS A 34 26.040 -13.958 12.522 1.00 13.43 H new ATOM 0 HA LYS A 34 25.770 -13.425 15.427 1.00 32.34 H new ATOM 0 HB2 LYS A 34 27.751 -12.008 15.191 1.00 44.33 H new ATOM 0 HB3 LYS A 34 28.106 -13.636 14.648 1.00 44.33 H new ATOM 0 HG2 LYS A 34 27.574 -12.740 12.259 1.00 53.44 H new ATOM 0 HG3 LYS A 34 27.716 -11.146 12.973 1.00 53.44 H new ATOM 0 HD2 LYS A 34 29.877 -13.290 13.103 1.00 44.33 H new ATOM 0 HD3 LYS A 34 29.842 -11.991 11.927 1.00 44.33 H new ATOM 0 HE2 LYS A 34 31.342 -11.277 13.636 1.00 41.23 H new ATOM 0 HE3 LYS A 34 29.878 -10.342 13.867 1.00 41.23 H new ATOM 0 HZ1 LYS A 34 31.137 -11.696 15.803 1.00 33.12 H new ATOM 0 HZ2 LYS A 34 29.493 -11.273 15.851 1.00 33.12 H new ATOM 0 HZ3 LYS A 34 29.955 -12.829 15.354 1.00 33.12 H new ATOM 507 N VAL A 35 24.680 -11.688 12.946 1.00 43.11 N ATOM 508 CA VAL A 35 23.884 -10.513 12.592 1.00 23.23 C ATOM 509 C VAL A 35 22.449 -10.645 13.096 1.00 61.52 C ATOM 510 O VAL A 35 21.925 -9.727 13.736 1.00 23.13 O ATOM 511 CB VAL A 35 23.886 -10.244 11.064 1.00 54.43 C ATOM 512 CG1 VAL A 35 22.909 -9.127 10.699 1.00 13.53 C ATOM 513 CG2 VAL A 35 25.295 -9.893 10.589 1.00 61.22 C ATOM 0 H VAL A 35 24.786 -12.371 12.196 1.00 43.11 H new ATOM 0 HA VAL A 35 24.353 -9.661 13.083 1.00 23.23 H new ATOM 0 HB VAL A 35 23.560 -11.154 10.561 1.00 54.43 H new ATOM 0 HG11 VAL A 35 22.932 -8.961 9.622 1.00 13.53 H new ATOM 0 HG12 VAL A 35 21.901 -9.412 11.001 1.00 13.53 H new ATOM 0 HG13 VAL A 35 23.196 -8.210 11.214 1.00 13.53 H new ATOM 0 HG21 VAL A 35 25.281 -9.707 9.515 1.00 61.22 H new ATOM 0 HG22 VAL A 35 25.642 -8.999 11.108 1.00 61.22 H new ATOM 0 HG23 VAL A 35 25.969 -10.722 10.805 1.00 61.22 H new ATOM 523 N THR A 36 21.808 -11.783 12.832 1.00 2.50 N ATOM 524 CA THR A 36 20.417 -11.960 13.238 1.00 74.43 C ATOM 525 C THR A 36 20.348 -12.518 14.656 1.00 40.30 C ATOM 526 O THR A 36 19.479 -12.150 15.444 1.00 4.41 O ATOM 527 CB THR A 36 19.642 -12.879 12.263 1.00 13.42 C ATOM 528 OG1 THR A 36 20.266 -14.162 12.193 1.00 45.52 O ATOM 529 CG2 THR A 36 19.580 -12.268 10.865 1.00 0.42 C ATOM 0 H THR A 36 22.220 -12.581 12.349 1.00 2.50 H new ATOM 0 HA THR A 36 19.941 -10.980 13.213 1.00 74.43 H new ATOM 0 HB THR A 36 18.626 -12.987 12.642 1.00 13.42 H new ATOM 0 HG1 THR A 36 21.183 -14.099 12.534 1.00 45.52 H new ATOM 0 HG21 THR A 36 19.030 -12.935 10.201 1.00 0.42 H new ATOM 0 HG22 THR A 36 19.074 -11.304 10.912 1.00 0.42 H new ATOM 0 HG23 THR A 36 20.592 -12.129 10.483 1.00 0.42 H new ATOM 537 N SER A 37 21.295 -13.384 14.983 1.00 73.22 N ATOM 538 CA SER A 37 21.376 -13.971 16.315 1.00 23.41 C ATOM 539 C SER A 37 22.136 -13.047 17.275 1.00 53.15 C ATOM 540 O SER A 37 22.503 -13.457 18.379 1.00 32.53 O ATOM 541 CB SER A 37 22.049 -15.346 16.226 1.00 53.32 C ATOM 542 OG SER A 37 22.087 -16.000 17.486 1.00 0.42 O ATOM 0 H SER A 37 22.023 -13.698 14.341 1.00 73.22 H new ATOM 0 HA SER A 37 20.368 -14.095 16.712 1.00 23.41 H new ATOM 0 HB2 SER A 37 21.511 -15.968 15.510 1.00 53.32 H new ATOM 0 HB3 SER A 37 23.064 -15.229 15.847 1.00 53.32 H new ATOM 0 HG SER A 37 22.353 -15.360 18.179 1.00 0.42 H new ATOM 548 N CYS A 38 22.364 -11.799 16.850 1.00 5.23 N ATOM 549 CA CYS A 38 23.078 -10.818 17.665 1.00 34.52 C ATOM 550 C CYS A 38 22.446 -10.678 19.048 1.00 23.12 C ATOM 551 O CYS A 38 21.394 -10.051 19.205 1.00 3.10 O ATOM 552 CB CYS A 38 23.094 -9.450 16.974 1.00 14.23 C ATOM 553 SG CYS A 38 23.922 -8.155 17.930 1.00 60.13 S ATOM 0 H CYS A 38 22.062 -11.447 15.942 1.00 5.23 H new ATOM 0 HA CYS A 38 24.100 -11.177 17.783 1.00 34.52 H new ATOM 0 HB2 CYS A 38 23.589 -9.548 16.008 1.00 14.23 H new ATOM 0 HB3 CYS A 38 22.067 -9.142 16.776 1.00 14.23 H new ATOM 0 HG CYS A 38 25.020 -8.627 18.440 1.00 60.13 H new ATOM 559 N ASN A 39 23.089 -11.278 20.042 1.00 61.33 N ATOM 560 CA ASN A 39 22.647 -11.168 21.430 1.00 41.42 C ATOM 561 C ASN A 39 23.152 -9.866 22.047 1.00 2.35 C ATOM 562 O ASN A 39 22.745 -9.496 23.149 1.00 33.11 O ATOM 563 CB ASN A 39 23.135 -12.374 22.248 1.00 25.54 C ATOM 564 CG ASN A 39 24.647 -12.553 22.207 1.00 43.42 C ATOM 565 OD1 ASN A 39 25.181 -13.198 21.301 1.00 70.23 O ATOM 566 ND2 ASN A 39 25.350 -11.996 23.183 1.00 62.21 N ATOM 0 H ASN A 39 23.924 -11.850 19.913 1.00 61.33 H new ATOM 0 HA ASN A 39 21.557 -11.160 21.446 1.00 41.42 H new ATOM 0 HB2 ASN A 39 22.817 -12.255 23.284 1.00 25.54 H new ATOM 0 HB3 ASN A 39 22.658 -13.278 21.870 1.00 25.54 H new ATOM 0 HD21 ASN A 39 26.365 -12.094 23.200 1.00 62.21 H new ATOM 0 HD22 ASN A 39 24.876 -11.469 23.917 1.00 62.21 H new ATOM 573 N ASP A 40 24.028 -9.170 21.320 1.00 33.05 N ATOM 574 CA ASP A 40 24.615 -7.912 21.791 1.00 40.51 C ATOM 575 C ASP A 40 23.535 -6.848 21.963 1.00 63.24 C ATOM 576 O ASP A 40 23.643 -5.968 22.821 1.00 11.15 O ATOM 577 CB ASP A 40 25.680 -7.404 20.804 1.00 33.11 C ATOM 578 CG ASP A 40 26.792 -8.413 20.551 1.00 30.05 C ATOM 579 OD1 ASP A 40 27.693 -8.545 21.409 1.00 21.23 O ATOM 580 OD2 ASP A 40 26.775 -9.071 19.486 1.00 41.30 O1- ATOM 0 H ASP A 40 24.349 -9.458 20.396 1.00 33.05 H new ATOM 0 HA ASP A 40 25.087 -8.104 22.755 1.00 40.51 H new ATOM 0 HB2 ASP A 40 25.200 -7.157 19.857 1.00 33.11 H new ATOM 0 HB3 ASP A 40 26.115 -6.483 21.191 1.00 33.11 H new ATOM 585 N ASN A 41 22.492 -6.946 21.131 1.00 41.33 N ATOM 586 CA ASN A 41 21.367 -6.001 21.139 1.00 21.34 C ATOM 587 C ASN A 41 21.789 -4.642 20.578 1.00 71.21 C ATOM 588 O ASN A 41 21.061 -3.656 20.703 1.00 15.34 O ATOM 589 CB ASN A 41 20.779 -5.836 22.552 1.00 64.12 C ATOM 590 CG ASN A 41 20.166 -7.117 23.099 1.00 32.33 C ATOM 591 OD1 ASN A 41 19.511 -7.889 22.239 1.00 62.31 O flip ATOM 592 ND2 ASN A 41 20.261 -7.399 24.294 1.00 50.02 N flip ATOM 0 H ASN A 41 22.403 -7.683 20.432 1.00 41.33 H new ATOM 0 HA ASN A 41 20.590 -6.416 20.496 1.00 21.34 H new ATOM 0 HB2 ASN A 41 21.564 -5.499 23.228 1.00 64.12 H new ATOM 0 HB3 ASN A 41 20.018 -5.056 22.533 1.00 64.12 H new ATOM 0 HD21 ASN A 41 20.772 -6.782 24.925 1.00 50.02 H new ATOM 0 HD22 ASN A 41 19.828 -8.250 24.653 1.00 50.02 H new ATOM 599 N ILE A 42 22.958 -4.604 19.948 1.00 2.20 N ATOM 600 CA ILE A 42 23.460 -3.388 19.313 1.00 64.41 C ATOM 601 C ILE A 42 22.951 -3.326 17.868 1.00 40.13 C ATOM 602 O ILE A 42 22.518 -4.346 17.325 1.00 21.44 O ATOM 603 CB ILE A 42 25.016 -3.353 19.343 1.00 74.52 C ATOM 604 CG1 ILE A 42 25.547 -1.938 19.036 1.00 2.42 C ATOM 605 CG2 ILE A 42 25.602 -4.377 18.369 1.00 51.44 C ATOM 606 CD1 ILE A 42 27.061 -1.839 19.001 1.00 34.23 C ATOM 0 H ILE A 42 23.581 -5.407 19.863 1.00 2.20 H new ATOM 0 HA ILE A 42 23.095 -2.521 19.863 1.00 64.41 H new ATOM 0 HB ILE A 42 25.337 -3.619 20.350 1.00 74.52 H new ATOM 0 HG12 ILE A 42 25.150 -1.613 18.074 1.00 2.42 H new ATOM 0 HG13 ILE A 42 25.166 -1.247 19.788 1.00 2.42 H new ATOM 0 HG21 ILE A 42 26.690 -4.334 18.407 1.00 51.44 H new ATOM 0 HG22 ILE A 42 25.268 -5.377 18.647 1.00 51.44 H new ATOM 0 HG23 ILE A 42 25.265 -4.151 17.357 1.00 51.44 H new ATOM 0 HD11 ILE A 42 27.353 -0.813 18.779 1.00 34.23 H new ATOM 0 HD12 ILE A 42 27.467 -2.131 19.969 1.00 34.23 H new ATOM 0 HD13 ILE A 42 27.451 -2.502 18.229 1.00 34.23 H new ATOM 618 N LEU A 43 22.978 -2.147 17.249 1.00 74.32 N ATOM 619 CA LEU A 43 22.525 -2.018 15.866 1.00 23.53 C ATOM 620 C LEU A 43 23.599 -2.504 14.901 1.00 51.23 C ATOM 621 O LEU A 43 24.647 -1.868 14.740 1.00 62.43 O ATOM 622 CB LEU A 43 22.140 -0.573 15.530 1.00 54.15 C ATOM 623 CG LEU A 43 20.842 -0.062 16.176 1.00 41.50 C ATOM 624 CD1 LEU A 43 20.480 1.310 15.621 1.00 2.12 C ATOM 625 CD2 LEU A 43 19.694 -1.047 15.956 1.00 13.42 C ATOM 0 H LEU A 43 23.304 -1.280 17.676 1.00 74.32 H new ATOM 0 HA LEU A 43 21.637 -2.641 15.757 1.00 23.53 H new ATOM 0 HB2 LEU A 43 22.957 0.081 15.833 1.00 54.15 H new ATOM 0 HB3 LEU A 43 22.045 -0.484 14.448 1.00 54.15 H new ATOM 0 HG LEU A 43 21.009 0.026 17.250 1.00 41.50 H new ATOM 0 HD11 LEU A 43 19.559 1.660 16.087 1.00 2.12 H new ATOM 0 HD12 LEU A 43 21.285 2.013 15.835 1.00 2.12 H new ATOM 0 HD13 LEU A 43 20.337 1.240 14.543 1.00 2.12 H new ATOM 0 HD21 LEU A 43 18.788 -0.660 16.423 1.00 13.42 H new ATOM 0 HD22 LEU A 43 19.524 -1.175 14.887 1.00 13.42 H new ATOM 0 HD23 LEU A 43 19.950 -2.009 16.401 1.00 13.42 H new ATOM 637 N ILE A 44 23.337 -3.643 14.278 1.00 52.44 N ATOM 638 CA ILE A 44 24.220 -4.188 13.258 1.00 50.43 C ATOM 639 C ILE A 44 23.753 -3.752 11.869 1.00 75.21 C ATOM 640 O ILE A 44 22.721 -4.208 11.374 1.00 1.13 O ATOM 641 CB ILE A 44 24.288 -5.736 13.337 1.00 65.42 C ATOM 642 CG1 ILE A 44 24.971 -6.172 14.647 1.00 51.44 C ATOM 643 CG2 ILE A 44 25.016 -6.313 12.124 1.00 54.14 C ATOM 644 CD1 ILE A 44 25.157 -7.669 14.773 1.00 75.35 C ATOM 0 H ILE A 44 22.511 -4.213 14.464 1.00 52.44 H new ATOM 0 HA ILE A 44 25.222 -3.798 13.439 1.00 50.43 H new ATOM 0 HB ILE A 44 23.271 -6.127 13.330 1.00 65.42 H new ATOM 0 HG12 ILE A 44 25.945 -5.688 14.716 1.00 51.44 H new ATOM 0 HG13 ILE A 44 24.378 -5.817 15.490 1.00 51.44 H new ATOM 0 HG21 ILE A 44 25.050 -7.400 12.203 1.00 54.14 H new ATOM 0 HG22 ILE A 44 24.486 -6.032 11.214 1.00 54.14 H new ATOM 0 HG23 ILE A 44 26.032 -5.920 12.088 1.00 54.14 H new ATOM 0 HD11 ILE A 44 25.644 -7.897 15.721 1.00 75.35 H new ATOM 0 HD12 ILE A 44 24.185 -8.161 14.737 1.00 75.35 H new ATOM 0 HD13 ILE A 44 25.776 -8.029 13.951 1.00 75.35 H new ATOM 656 N LEU A 45 24.505 -2.840 11.263 1.00 20.45 N ATOM 657 CA LEU A 45 24.206 -2.350 9.924 1.00 2.30 C ATOM 658 C LEU A 45 25.051 -3.106 8.902 1.00 11.43 C ATOM 659 O LEU A 45 26.260 -2.906 8.818 1.00 41.20 O ATOM 660 CB LEU A 45 24.481 -0.838 9.814 1.00 20.41 C ATOM 661 CG LEU A 45 23.547 0.085 10.625 1.00 5.35 C ATOM 662 CD1 LEU A 45 23.763 -0.076 12.128 1.00 21.13 C ATOM 663 CD2 LEU A 45 23.741 1.539 10.205 1.00 33.23 C ATOM 0 H LEU A 45 25.335 -2.422 11.684 1.00 20.45 H new ATOM 0 HA LEU A 45 23.148 -2.519 9.723 1.00 2.30 H new ATOM 0 HB2 LEU A 45 25.507 -0.652 10.132 1.00 20.41 H new ATOM 0 HB3 LEU A 45 24.416 -0.553 8.764 1.00 20.41 H new ATOM 0 HG LEU A 45 22.520 -0.208 10.409 1.00 5.35 H new ATOM 0 HD11 LEU A 45 23.088 0.590 12.666 1.00 21.13 H new ATOM 0 HD12 LEU A 45 23.561 -1.108 12.416 1.00 21.13 H new ATOM 0 HD13 LEU A 45 24.794 0.175 12.376 1.00 21.13 H new ATOM 0 HD21 LEU A 45 23.075 2.177 10.786 1.00 33.23 H new ATOM 0 HD22 LEU A 45 24.775 1.835 10.384 1.00 33.23 H new ATOM 0 HD23 LEU A 45 23.512 1.645 9.145 1.00 33.23 H new ATOM 675 N VAL A 46 24.420 -3.989 8.145 1.00 71.44 N ATOM 676 CA VAL A 46 25.133 -4.754 7.125 1.00 20.02 C ATOM 677 C VAL A 46 25.006 -4.066 5.770 1.00 61.11 C ATOM 678 O VAL A 46 23.903 -3.689 5.359 1.00 62.33 O ATOM 679 CB VAL A 46 24.624 -6.217 7.038 1.00 71.02 C ATOM 680 CG1 VAL A 46 24.925 -6.962 8.338 1.00 30.25 C ATOM 681 CG2 VAL A 46 23.128 -6.264 6.722 1.00 14.12 C ATOM 0 H VAL A 46 23.423 -4.196 8.213 1.00 71.44 H new ATOM 0 HA VAL A 46 26.184 -4.791 7.413 1.00 20.02 H new ATOM 0 HB VAL A 46 25.152 -6.712 6.223 1.00 71.02 H new ATOM 0 HG11 VAL A 46 24.562 -7.987 8.262 1.00 30.25 H new ATOM 0 HG12 VAL A 46 26.001 -6.970 8.512 1.00 30.25 H new ATOM 0 HG13 VAL A 46 24.427 -6.461 9.168 1.00 30.25 H new ATOM 0 HG21 VAL A 46 22.800 -7.302 6.667 1.00 14.12 H new ATOM 0 HG22 VAL A 46 22.574 -5.749 7.507 1.00 14.12 H new ATOM 0 HG23 VAL A 46 22.942 -5.774 5.766 1.00 14.12 H new ATOM 691 N ASP A 47 26.136 -3.871 5.092 1.00 61.10 N ATOM 692 CA ASP A 47 26.137 -3.204 3.792 1.00 20.45 C ATOM 693 C ASP A 47 26.322 -4.224 2.678 1.00 31.03 C ATOM 694 O ASP A 47 27.094 -5.179 2.809 1.00 60.20 O ATOM 695 CB ASP A 47 27.235 -2.124 3.705 1.00 64.50 C ATOM 696 CG ASP A 47 28.634 -2.693 3.482 1.00 10.33 C ATOM 697 OD1 ASP A 47 29.291 -3.065 4.475 1.00 43.41 O ATOM 698 OD2 ASP A 47 29.085 -2.752 2.311 1.00 44.34 O1- ATOM 0 H ASP A 47 27.057 -4.163 5.419 1.00 61.10 H new ATOM 0 HA ASP A 47 25.173 -2.710 3.675 1.00 20.45 H new ATOM 0 HB2 ASP A 47 26.996 -1.439 2.891 1.00 64.50 H new ATOM 0 HB3 ASP A 47 27.232 -1.539 4.625 1.00 64.50 H new ATOM 703 N PHE A 48 25.589 -4.032 1.592 1.00 11.44 N ATOM 704 CA PHE A 48 25.715 -4.876 0.417 1.00 43.43 C ATOM 705 C PHE A 48 26.706 -4.261 -0.565 1.00 1.12 C ATOM 706 O PHE A 48 26.328 -3.771 -1.633 1.00 20.03 O ATOM 707 CB PHE A 48 24.344 -5.112 -0.234 1.00 13.33 C ATOM 708 CG PHE A 48 23.471 -6.065 0.552 1.00 42.35 C ATOM 709 CD1 PHE A 48 23.260 -7.363 0.105 1.00 21.12 C ATOM 710 CD2 PHE A 48 22.874 -5.668 1.741 1.00 71.41 C ATOM 711 CE1 PHE A 48 22.475 -8.242 0.826 1.00 73.03 C ATOM 712 CE2 PHE A 48 22.086 -6.545 2.464 1.00 20.25 C ATOM 713 CZ PHE A 48 21.887 -7.831 2.007 1.00 25.33 C ATOM 0 H PHE A 48 24.894 -3.291 1.502 1.00 11.44 H new ATOM 0 HA PHE A 48 26.101 -5.849 0.720 1.00 43.43 H new ATOM 0 HB2 PHE A 48 23.828 -4.157 -0.337 1.00 13.33 H new ATOM 0 HB3 PHE A 48 24.489 -5.507 -1.240 1.00 13.33 H new ATOM 0 HD1 PHE A 48 23.716 -7.689 -0.818 1.00 21.12 H new ATOM 0 HD2 PHE A 48 23.027 -4.663 2.105 1.00 71.41 H new ATOM 0 HE1 PHE A 48 22.321 -9.249 0.467 1.00 73.03 H new ATOM 0 HE2 PHE A 48 21.626 -6.223 3.387 1.00 20.25 H new ATOM 0 HZ PHE A 48 21.272 -8.516 2.572 1.00 25.33 H new ATOM 723 N TRP A 49 27.966 -4.249 -0.139 1.00 34.24 N ATOM 724 CA TRP A 49 29.097 -3.864 -0.975 1.00 41.42 C ATOM 725 C TRP A 49 29.134 -2.364 -1.264 1.00 21.22 C ATOM 726 O TRP A 49 28.582 -1.883 -2.258 1.00 72.24 O ATOM 727 CB TRP A 49 29.123 -4.677 -2.280 1.00 33.30 C ATOM 728 CG TRP A 49 29.388 -6.137 -2.048 1.00 3.14 C ATOM 729 CD1 TRP A 49 28.467 -7.115 -1.806 1.00 44.43 C ATOM 730 CD2 TRP A 49 30.670 -6.775 -2.019 1.00 24.41 C ATOM 731 NE1 TRP A 49 29.099 -8.321 -1.630 1.00 0.32 N ATOM 732 CE2 TRP A 49 30.450 -8.139 -1.757 1.00 35.03 C ATOM 733 CE3 TRP A 49 31.981 -6.325 -2.193 1.00 42.42 C ATOM 734 CZ2 TRP A 49 31.494 -9.055 -1.663 1.00 12.11 C ATOM 735 CZ3 TRP A 49 33.016 -7.235 -2.099 1.00 3.11 C ATOM 736 CH2 TRP A 49 32.767 -8.589 -1.838 1.00 4.13 C ATOM 0 H TRP A 49 28.233 -4.510 0.810 1.00 34.24 H new ATOM 0 HA TRP A 49 29.997 -4.096 -0.406 1.00 41.42 H new ATOM 0 HB2 TRP A 49 28.169 -4.562 -2.794 1.00 33.30 H new ATOM 0 HB3 TRP A 49 29.891 -4.273 -2.940 1.00 33.30 H new ATOM 0 HD1 TRP A 49 27.399 -6.963 -1.760 1.00 44.43 H new ATOM 0 HE1 TRP A 49 28.637 -9.209 -1.436 1.00 0.32 H new ATOM 0 HE3 TRP A 49 32.182 -5.284 -2.397 1.00 42.42 H new ATOM 0 HZ2 TRP A 49 31.305 -10.098 -1.459 1.00 12.11 H new ATOM 0 HZ3 TRP A 49 34.034 -6.897 -2.229 1.00 3.11 H new ATOM 0 HH2 TRP A 49 33.597 -9.277 -1.774 1.00 4.13 H new ATOM 747 N ALA A 50 29.775 -1.629 -0.360 1.00 22.45 N ATOM 748 CA ALA A 50 30.154 -0.242 -0.604 1.00 35.35 C ATOM 749 C ALA A 50 31.680 -0.146 -0.678 1.00 53.44 C ATOM 750 O ALA A 50 32.339 0.194 0.304 1.00 0.02 O ATOM 751 CB ALA A 50 29.599 0.673 0.483 1.00 2.31 C ATOM 0 H ALA A 50 30.045 -1.977 0.560 1.00 22.45 H new ATOM 0 HA ALA A 50 29.729 0.087 -1.552 1.00 35.35 H new ATOM 0 HB1 ALA A 50 29.895 1.702 0.279 1.00 2.31 H new ATOM 0 HB2 ALA A 50 28.511 0.604 0.496 1.00 2.31 H new ATOM 0 HB3 ALA A 50 29.993 0.368 1.452 1.00 2.31 H new ATOM 757 N PRO A 51 32.268 -0.481 -1.845 1.00 40.53 N ATOM 758 CA PRO A 51 33.718 -0.612 -2.002 1.00 70.20 C ATOM 759 C PRO A 51 34.414 0.720 -2.287 1.00 71.11 C ATOM 760 O PRO A 51 35.608 0.744 -2.583 1.00 74.11 O ATOM 761 CB PRO A 51 33.863 -1.572 -3.203 1.00 74.34 C ATOM 762 CG PRO A 51 32.469 -1.833 -3.710 1.00 52.14 C ATOM 763 CD PRO A 51 31.586 -0.774 -3.107 1.00 53.11 C ATOM 0 HA PRO A 51 34.189 -0.973 -1.088 1.00 70.20 H new ATOM 0 HB2 PRO A 51 34.483 -1.128 -3.982 1.00 74.34 H new ATOM 0 HB3 PRO A 51 34.347 -2.501 -2.901 1.00 74.34 H new ATOM 0 HG2 PRO A 51 32.438 -1.789 -4.799 1.00 52.14 H new ATOM 0 HG3 PRO A 51 32.132 -2.829 -3.422 1.00 52.14 H new ATOM 0 HD2 PRO A 51 31.514 0.107 -3.745 1.00 53.11 H new ATOM 0 HD3 PRO A 51 30.570 -1.135 -2.946 1.00 53.11 H new ATOM 771 N TRP A 52 33.657 1.819 -2.226 1.00 22.33 N ATOM 772 CA TRP A 52 34.205 3.173 -2.419 1.00 73.04 C ATOM 773 C TRP A 52 34.846 3.352 -3.803 1.00 50.31 C ATOM 774 O TRP A 52 35.454 4.390 -4.077 1.00 15.24 O ATOM 775 CB TRP A 52 35.245 3.499 -1.332 1.00 35.32 C ATOM 776 CG TRP A 52 34.698 3.483 0.069 1.00 23.52 C ATOM 777 CD1 TRP A 52 34.013 4.488 0.696 1.00 15.32 C ATOM 778 CD2 TRP A 52 34.805 2.417 1.023 1.00 74.15 C ATOM 779 NE1 TRP A 52 33.690 4.110 1.977 1.00 12.34 N ATOM 780 CE2 TRP A 52 34.160 2.844 2.200 1.00 13.14 C ATOM 781 CE3 TRP A 52 35.377 1.142 0.995 1.00 71.12 C ATOM 782 CZ2 TRP A 52 34.081 2.046 3.339 1.00 52.24 C ATOM 783 CZ3 TRP A 52 35.297 0.350 2.125 1.00 71.20 C ATOM 784 CH2 TRP A 52 34.650 0.804 3.281 1.00 73.11 C ATOM 0 H TRP A 52 32.654 1.801 -2.043 1.00 22.33 H new ATOM 0 HA TRP A 52 33.364 3.862 -2.344 1.00 73.04 H new ATOM 0 HB2 TRP A 52 36.062 2.780 -1.399 1.00 35.32 H new ATOM 0 HB3 TRP A 52 35.669 4.483 -1.534 1.00 35.32 H new ATOM 0 HD1 TRP A 52 33.763 5.439 0.249 1.00 15.32 H new ATOM 0 HE1 TRP A 52 33.182 4.681 2.653 1.00 12.34 H new ATOM 0 HE3 TRP A 52 35.873 0.782 0.106 1.00 71.12 H new ATOM 0 HZ2 TRP A 52 33.589 2.395 4.235 1.00 52.24 H new ATOM 0 HZ3 TRP A 52 35.741 -0.635 2.116 1.00 71.20 H new ATOM 0 HH2 TRP A 52 34.599 0.159 4.146 1.00 73.11 H new ATOM 795 N CYS A 53 34.702 2.353 -4.674 1.00 40.41 N ATOM 796 CA CYS A 53 35.348 2.370 -5.988 1.00 72.24 C ATOM 797 C CYS A 53 34.440 2.993 -7.047 1.00 13.10 C ATOM 798 O CYS A 53 34.895 3.336 -8.141 1.00 1.35 O ATOM 799 CB CYS A 53 35.730 0.940 -6.389 1.00 64.50 C ATOM 800 SG CYS A 53 34.350 -0.228 -6.330 1.00 4.22 S ATOM 0 H CYS A 53 34.142 1.520 -4.493 1.00 40.41 H new ATOM 0 HA CYS A 53 36.247 2.983 -5.922 1.00 72.24 H new ATOM 0 HB2 CYS A 53 36.140 0.953 -7.399 1.00 64.50 H new ATOM 0 HB3 CYS A 53 36.522 0.586 -5.728 1.00 64.50 H new ATOM 0 HG CYS A 53 34.764 -1.408 -6.686 1.00 4.22 H new ATOM 806 N GLY A 54 33.160 3.145 -6.711 1.00 12.05 N ATOM 807 CA GLY A 54 32.191 3.681 -7.656 1.00 63.14 C ATOM 808 C GLY A 54 32.378 5.168 -7.910 1.00 21.34 C ATOM 809 O GLY A 54 33.203 5.812 -7.256 1.00 30.51 O ATOM 0 H GLY A 54 32.775 2.906 -5.797 1.00 12.05 H new ATOM 0 HA2 GLY A 54 32.274 3.142 -8.600 1.00 63.14 H new ATOM 0 HA3 GLY A 54 31.184 3.505 -7.276 1.00 63.14 H new ATOM 813 N PRO A 55 31.611 5.747 -8.852 1.00 62.11 N ATOM 814 CA PRO A 55 31.693 7.176 -9.192 1.00 44.20 C ATOM 815 C PRO A 55 30.966 8.056 -8.170 1.00 20.23 C ATOM 816 O PRO A 55 30.330 9.050 -8.527 1.00 51.11 O ATOM 817 CB PRO A 55 31.001 7.236 -10.561 1.00 50.35 C ATOM 818 CG PRO A 55 29.992 6.140 -10.516 1.00 20.21 C ATOM 819 CD PRO A 55 30.598 5.046 -9.668 1.00 4.44 C ATOM 0 HA PRO A 55 32.717 7.550 -9.199 1.00 44.20 H new ATOM 0 HB2 PRO A 55 30.528 8.204 -10.725 1.00 50.35 H new ATOM 0 HB3 PRO A 55 31.713 7.087 -11.373 1.00 50.35 H new ATOM 0 HG2 PRO A 55 29.054 6.491 -10.086 1.00 20.21 H new ATOM 0 HG3 PRO A 55 29.767 5.776 -11.519 1.00 20.21 H new ATOM 0 HD2 PRO A 55 29.847 4.563 -9.043 1.00 4.44 H new ATOM 0 HD3 PRO A 55 31.050 4.268 -10.283 1.00 4.44 H new ATOM 827 N CYS A 56 31.074 7.687 -6.897 1.00 50.20 N ATOM 828 CA CYS A 56 30.430 8.423 -5.820 1.00 63.13 C ATOM 829 C CYS A 56 31.063 9.807 -5.671 1.00 53.23 C ATOM 830 O CYS A 56 32.265 9.926 -5.419 1.00 2.13 O ATOM 831 CB CYS A 56 30.541 7.632 -4.512 1.00 10.11 C ATOM 832 SG CYS A 56 29.862 5.959 -4.614 1.00 70.01 S ATOM 0 H CYS A 56 31.607 6.875 -6.587 1.00 50.20 H new ATOM 0 HA CYS A 56 29.375 8.556 -6.059 1.00 63.13 H new ATOM 0 HB2 CYS A 56 31.590 7.572 -4.222 1.00 10.11 H new ATOM 0 HB3 CYS A 56 30.023 8.177 -3.723 1.00 10.11 H new ATOM 0 HG CYS A 56 30.000 5.364 -3.466 1.00 70.01 H new ATOM 838 N ARG A 57 30.246 10.844 -5.819 1.00 74.52 N ATOM 839 CA ARG A 57 30.723 12.228 -5.780 1.00 55.44 C ATOM 840 C ARG A 57 30.844 12.727 -4.337 1.00 11.15 C ATOM 841 O ARG A 57 30.523 13.877 -4.034 1.00 63.41 O ATOM 842 CB ARG A 57 29.778 13.135 -6.588 1.00 12.30 C ATOM 843 CG ARG A 57 28.338 13.154 -6.074 1.00 63.42 C ATOM 844 CD ARG A 57 27.473 14.131 -6.865 1.00 54.12 C ATOM 845 NE ARG A 57 27.991 15.500 -6.800 1.00 5.12 N ATOM 846 CZ ARG A 57 27.386 16.563 -7.333 1.00 44.05 C ATOM 847 NH1 ARG A 57 26.226 16.427 -7.963 1.00 71.02 N1+ ATOM 848 NH2 ARG A 57 27.946 17.760 -7.227 1.00 43.51 N ATOM 0 H ARG A 57 29.241 10.754 -5.969 1.00 74.52 H new ATOM 0 HA ARG A 57 31.715 12.263 -6.230 1.00 55.44 H new ATOM 0 HB2 ARG A 57 30.170 14.152 -6.576 1.00 12.30 H new ATOM 0 HB3 ARG A 57 29.777 12.806 -7.627 1.00 12.30 H new ATOM 0 HG2 ARG A 57 27.913 12.153 -6.143 1.00 63.42 H new ATOM 0 HG3 ARG A 57 28.331 13.432 -5.020 1.00 63.42 H new ATOM 0 HD2 ARG A 57 27.424 13.811 -7.906 1.00 54.12 H new ATOM 0 HD3 ARG A 57 26.455 14.110 -6.477 1.00 54.12 H new ATOM 0 HE ARG A 57 28.875 15.651 -6.314 1.00 5.12 H new ATOM 0 HH11 ARG A 57 25.793 15.507 -8.041 1.00 71.02 H new ATOM 0 HH12 ARG A 57 25.767 17.243 -8.369 1.00 71.02 H new ATOM 0 HH21 ARG A 57 28.836 17.865 -6.740 1.00 43.51 H new ATOM 0 HH22 ARG A 57 27.487 18.575 -7.633 1.00 43.51 H new ATOM 862 N SER A 58 31.338 11.863 -3.460 1.00 14.32 N ATOM 863 CA SER A 58 31.486 12.191 -2.047 1.00 52.33 C ATOM 864 C SER A 58 32.833 11.694 -1.534 1.00 23.40 C ATOM 865 O SER A 58 33.575 11.026 -2.257 1.00 31.51 O ATOM 866 CB SER A 58 30.340 11.569 -1.229 1.00 40.14 C ATOM 867 OG SER A 58 30.491 11.834 0.159 1.00 23.41 O ATOM 0 H SER A 58 31.646 10.922 -3.705 1.00 14.32 H new ATOM 0 HA SER A 58 31.444 13.274 -1.932 1.00 52.33 H new ATOM 0 HB2 SER A 58 29.386 11.967 -1.575 1.00 40.14 H new ATOM 0 HB3 SER A 58 30.315 10.492 -1.395 1.00 40.14 H new ATOM 0 HG SER A 58 30.184 11.060 0.675 1.00 23.41 H new ATOM 873 N LEU A 59 33.143 12.039 -0.290 1.00 70.31 N ATOM 874 CA LEU A 59 34.370 11.593 0.363 1.00 23.41 C ATOM 875 C LEU A 59 34.058 10.446 1.320 1.00 11.14 C ATOM 876 O LEU A 59 34.955 9.730 1.764 1.00 73.33 O ATOM 877 CB LEU A 59 35.035 12.751 1.137 1.00 63.42 C ATOM 878 CG LEU A 59 35.498 13.959 0.293 1.00 50.24 C ATOM 879 CD1 LEU A 59 36.385 13.509 -0.866 1.00 50.12 C ATOM 880 CD2 LEU A 59 34.305 14.776 -0.211 1.00 62.02 C ATOM 0 H LEU A 59 32.554 12.633 0.293 1.00 70.31 H new ATOM 0 HA LEU A 59 35.063 11.250 -0.405 1.00 23.41 H new ATOM 0 HB2 LEU A 59 34.332 13.108 1.889 1.00 63.42 H new ATOM 0 HB3 LEU A 59 35.899 12.355 1.671 1.00 63.42 H new ATOM 0 HG LEU A 59 36.092 14.606 0.939 1.00 50.24 H new ATOM 0 HD11 LEU A 59 36.697 14.379 -1.444 1.00 50.12 H new ATOM 0 HD12 LEU A 59 37.265 12.999 -0.474 1.00 50.12 H new ATOM 0 HD13 LEU A 59 35.827 12.828 -1.508 1.00 50.12 H new ATOM 0 HD21 LEU A 59 34.665 15.619 -0.801 1.00 62.02 H new ATOM 0 HD22 LEU A 59 33.667 14.145 -0.830 1.00 62.02 H new ATOM 0 HD23 LEU A 59 33.733 15.147 0.639 1.00 62.02 H new ATOM 892 N GLU A 60 32.772 10.279 1.627 1.00 23.25 N ATOM 893 CA GLU A 60 32.326 9.275 2.587 1.00 63.30 C ATOM 894 C GLU A 60 30.811 9.062 2.468 1.00 54.43 C ATOM 895 O GLU A 60 30.058 10.021 2.272 1.00 54.24 O ATOM 896 CB GLU A 60 32.708 9.717 4.009 1.00 32.23 C ATOM 897 CG GLU A 60 32.125 11.072 4.405 1.00 61.51 C ATOM 898 CD GLU A 60 32.778 11.678 5.640 1.00 30.43 C ATOM 899 OE1 GLU A 60 32.900 12.923 5.698 1.00 73.14 O ATOM 900 OE2 GLU A 60 33.181 10.921 6.547 1.00 22.24 O1- ATOM 0 H GLU A 60 32.017 10.832 1.220 1.00 23.25 H new ATOM 0 HA GLU A 60 32.817 8.326 2.372 1.00 63.30 H new ATOM 0 HB2 GLU A 60 32.368 8.963 4.719 1.00 32.23 H new ATOM 0 HB3 GLU A 60 33.794 9.761 4.087 1.00 32.23 H new ATOM 0 HG2 GLU A 60 32.235 11.764 3.570 1.00 61.51 H new ATOM 0 HG3 GLU A 60 31.056 10.959 4.587 1.00 61.51 H new ATOM 907 N PRO A 61 30.346 7.799 2.540 1.00 71.14 N ATOM 908 CA PRO A 61 28.921 7.477 2.499 1.00 63.12 C ATOM 909 C PRO A 61 28.233 7.700 3.849 1.00 34.35 C ATOM 910 O PRO A 61 28.849 8.179 4.807 1.00 5.53 O ATOM 911 CB PRO A 61 28.913 5.993 2.122 1.00 14.52 C ATOM 912 CG PRO A 61 30.175 5.458 2.707 1.00 30.32 C ATOM 913 CD PRO A 61 31.179 6.584 2.639 1.00 11.01 C ATOM 0 HA PRO A 61 28.374 8.111 1.802 1.00 63.12 H new ATOM 0 HB2 PRO A 61 28.039 5.484 2.528 1.00 14.52 H new ATOM 0 HB3 PRO A 61 28.887 5.857 1.041 1.00 14.52 H new ATOM 0 HG2 PRO A 61 30.021 5.135 3.737 1.00 30.32 H new ATOM 0 HG3 PRO A 61 30.525 4.589 2.149 1.00 30.32 H new ATOM 0 HD2 PRO A 61 31.814 6.607 3.524 1.00 11.01 H new ATOM 0 HD3 PRO A 61 31.838 6.480 1.777 1.00 11.01 H new ATOM 921 N GLN A 62 26.965 7.311 3.921 1.00 20.04 N ATOM 922 CA GLN A 62 26.133 7.557 5.098 1.00 30.53 C ATOM 923 C GLN A 62 26.698 6.822 6.321 1.00 60.42 C ATOM 924 O GLN A 62 26.861 7.401 7.413 1.00 0.52 O ATOM 925 CB GLN A 62 24.690 7.085 4.845 1.00 4.44 C ATOM 926 CG GLN A 62 24.060 7.566 3.534 1.00 24.15 C ATOM 927 CD GLN A 62 24.532 6.779 2.323 1.00 74.10 C ATOM 928 OE1 GLN A 62 24.925 5.620 2.438 1.00 42.41 O ATOM 929 NE2 GLN A 62 24.487 7.392 1.154 1.00 51.24 N ATOM 0 H GLN A 62 26.484 6.818 3.169 1.00 20.04 H new ATOM 0 HA GLN A 62 26.133 8.630 5.292 1.00 30.53 H new ATOM 0 HB2 GLN A 62 24.675 5.995 4.857 1.00 4.44 H new ATOM 0 HB3 GLN A 62 24.066 7.421 5.673 1.00 4.44 H new ATOM 0 HG2 GLN A 62 22.975 7.490 3.609 1.00 24.15 H new ATOM 0 HG3 GLN A 62 24.296 8.620 3.390 1.00 24.15 H new ATOM 0 HE21 GLN A 62 24.155 8.355 1.095 1.00 51.24 H new ATOM 0 HE22 GLN A 62 24.784 6.903 0.310 1.00 51.24 H new ATOM 938 N LEU A 63 27.003 5.540 6.113 1.00 40.34 N ATOM 939 CA LEU A 63 27.472 4.669 7.183 1.00 62.14 C ATOM 940 C LEU A 63 28.733 5.229 7.844 1.00 53.24 C ATOM 941 O LEU A 63 28.862 5.181 9.063 1.00 10.51 O ATOM 942 CB LEU A 63 27.676 3.225 6.666 1.00 34.22 C ATOM 943 CG LEU A 63 28.571 3.045 5.416 1.00 63.33 C ATOM 944 CD1 LEU A 63 30.052 2.987 5.789 1.00 33.11 C ATOM 945 CD2 LEU A 63 28.168 1.788 4.642 1.00 74.22 C ATOM 0 H LEU A 63 26.931 5.082 5.204 1.00 40.34 H new ATOM 0 HA LEU A 63 26.703 4.632 7.955 1.00 62.14 H new ATOM 0 HB2 LEU A 63 28.102 2.633 7.476 1.00 34.22 H new ATOM 0 HB3 LEU A 63 26.696 2.803 6.444 1.00 34.22 H new ATOM 0 HG LEU A 63 28.422 3.915 4.777 1.00 63.33 H new ATOM 0 HD11 LEU A 63 30.650 2.860 4.886 1.00 33.11 H new ATOM 0 HD12 LEU A 63 30.338 3.913 6.287 1.00 33.11 H new ATOM 0 HD13 LEU A 63 30.225 2.146 6.460 1.00 33.11 H new ATOM 0 HD21 LEU A 63 28.808 1.679 3.767 1.00 74.22 H new ATOM 0 HD22 LEU A 63 28.279 0.914 5.284 1.00 74.22 H new ATOM 0 HD23 LEU A 63 27.129 1.875 4.323 1.00 74.22 H new ATOM 957 N GLU A 64 29.643 5.792 7.049 1.00 74.41 N ATOM 958 CA GLU A 64 30.845 6.407 7.606 1.00 41.25 C ATOM 959 C GLU A 64 30.482 7.691 8.341 1.00 3.44 C ATOM 960 O GLU A 64 30.961 7.935 9.447 1.00 44.25 O ATOM 961 CB GLU A 64 31.899 6.693 6.523 1.00 1.34 C ATOM 962 CG GLU A 64 32.582 5.440 5.979 1.00 23.15 C ATOM 963 CD GLU A 64 33.874 5.746 5.232 1.00 20.32 C ATOM 964 OE1 GLU A 64 33.826 5.997 4.011 1.00 3.24 O ATOM 965 OE2 GLU A 64 34.950 5.732 5.867 1.00 1.43 O1- ATOM 0 H GLU A 64 29.572 5.835 6.032 1.00 74.41 H new ATOM 0 HA GLU A 64 31.283 5.699 8.309 1.00 41.25 H new ATOM 0 HB2 GLU A 64 31.423 7.223 5.698 1.00 1.34 H new ATOM 0 HB3 GLU A 64 32.657 7.359 6.935 1.00 1.34 H new ATOM 0 HG2 GLU A 64 32.798 4.762 6.805 1.00 23.15 H new ATOM 0 HG3 GLU A 64 31.896 4.920 5.310 1.00 23.15 H new ATOM 972 N LYS A 65 29.606 8.489 7.731 1.00 20.50 N ATOM 973 CA LYS A 65 29.171 9.753 8.320 1.00 60.24 C ATOM 974 C LYS A 65 28.705 9.568 9.764 1.00 52.42 C ATOM 975 O LYS A 65 29.168 10.272 10.667 1.00 3.44 O ATOM 976 CB LYS A 65 28.041 10.390 7.489 1.00 11.51 C ATOM 977 CG LYS A 65 28.515 11.219 6.298 1.00 5.11 C ATOM 978 CD LYS A 65 29.355 12.412 6.750 1.00 2.21 C ATOM 979 CE LYS A 65 29.630 13.394 5.614 1.00 11.43 C ATOM 980 NZ LYS A 65 30.549 14.483 6.039 1.00 71.31 N1+ ATOM 0 H LYS A 65 29.183 8.281 6.826 1.00 20.50 H new ATOM 0 HA LYS A 65 30.033 10.420 8.318 1.00 60.24 H new ATOM 0 HB2 LYS A 65 27.385 9.599 7.126 1.00 11.51 H new ATOM 0 HB3 LYS A 65 27.442 11.026 8.142 1.00 11.51 H new ATOM 0 HG2 LYS A 65 29.102 10.592 5.627 1.00 5.11 H new ATOM 0 HG3 LYS A 65 27.653 11.572 5.732 1.00 5.11 H new ATOM 0 HD2 LYS A 65 28.839 12.931 7.558 1.00 2.21 H new ATOM 0 HD3 LYS A 65 30.302 12.054 7.154 1.00 2.21 H new ATOM 0 HE2 LYS A 65 30.064 12.860 4.769 1.00 11.43 H new ATOM 0 HE3 LYS A 65 28.690 13.825 5.270 1.00 11.43 H new ATOM 0 HZ1 LYS A 65 30.440 15.298 5.402 1.00 71.31 H new ATOM 0 HZ2 LYS A 65 30.319 14.771 7.012 1.00 71.31 H new ATOM 0 HZ3 LYS A 65 31.531 14.143 6.002 1.00 71.31 H new ATOM 994 N LEU A 66 27.782 8.635 9.988 1.00 33.34 N ATOM 995 CA LEU A 66 27.231 8.453 11.335 1.00 31.00 C ATOM 996 C LEU A 66 28.078 7.523 12.214 1.00 73.03 C ATOM 997 O LEU A 66 28.307 7.828 13.387 1.00 63.44 O ATOM 998 CB LEU A 66 25.774 7.973 11.286 1.00 73.24 C ATOM 999 CG LEU A 66 24.758 9.011 10.769 1.00 12.25 C ATOM 1000 CD1 LEU A 66 23.333 8.593 11.121 1.00 21.43 C ATOM 1001 CD2 LEU A 66 25.061 10.405 11.321 1.00 24.51 C ATOM 0 H LEU A 66 27.406 8.007 9.278 1.00 33.34 H new ATOM 0 HA LEU A 66 27.258 9.437 11.803 1.00 31.00 H new ATOM 0 HB2 LEU A 66 25.721 7.089 10.651 1.00 73.24 H new ATOM 0 HB3 LEU A 66 25.476 7.664 12.288 1.00 73.24 H new ATOM 0 HG LEU A 66 24.848 9.053 9.684 1.00 12.25 H new ATOM 0 HD11 LEU A 66 22.632 9.339 10.747 1.00 21.43 H new ATOM 0 HD12 LEU A 66 23.114 7.628 10.664 1.00 21.43 H new ATOM 0 HD13 LEU A 66 23.234 8.513 12.204 1.00 21.43 H new ATOM 0 HD21 LEU A 66 24.328 11.115 10.939 1.00 24.51 H new ATOM 0 HD22 LEU A 66 25.012 10.384 12.410 1.00 24.51 H new ATOM 0 HD23 LEU A 66 26.059 10.711 11.009 1.00 24.51 H new ATOM 1013 N ALA A 67 28.556 6.407 11.658 1.00 33.21 N ATOM 1014 CA ALA A 67 29.239 5.384 12.463 1.00 60.51 C ATOM 1015 C ALA A 67 30.499 5.926 13.137 1.00 4.11 C ATOM 1016 O ALA A 67 30.845 5.498 14.237 1.00 32.33 O ATOM 1017 CB ALA A 67 29.576 4.157 11.626 1.00 61.50 C ATOM 0 H ALA A 67 28.485 6.187 10.664 1.00 33.21 H new ATOM 0 HA ALA A 67 28.543 5.091 13.249 1.00 60.51 H new ATOM 0 HB1 ALA A 67 30.080 3.419 12.249 1.00 61.50 H new ATOM 0 HB2 ALA A 67 28.658 3.727 11.225 1.00 61.50 H new ATOM 0 HB3 ALA A 67 30.231 4.446 10.804 1.00 61.50 H new ATOM 1023 N GLN A 68 31.175 6.871 12.481 1.00 62.24 N ATOM 1024 CA GLN A 68 32.390 7.474 13.041 1.00 13.04 C ATOM 1025 C GLN A 68 32.130 8.009 14.449 1.00 53.05 C ATOM 1026 O GLN A 68 33.016 7.992 15.306 1.00 12.13 O ATOM 1027 CB GLN A 68 32.906 8.598 12.130 1.00 3.32 C ATOM 1028 CG GLN A 68 33.553 8.098 10.842 1.00 70.24 C ATOM 1029 CD GLN A 68 33.894 9.223 9.880 1.00 12.33 C ATOM 1030 OE1 GLN A 68 34.180 10.348 10.293 1.00 32.14 O ATOM 1031 NE2 GLN A 68 33.869 8.930 8.589 1.00 50.53 N ATOM 0 H GLN A 68 30.906 7.235 11.567 1.00 62.24 H new ATOM 0 HA GLN A 68 33.154 6.699 13.103 1.00 13.04 H new ATOM 0 HB2 GLN A 68 32.076 9.257 11.876 1.00 3.32 H new ATOM 0 HB3 GLN A 68 33.631 9.196 12.682 1.00 3.32 H new ATOM 0 HG2 GLN A 68 34.461 7.548 11.087 1.00 70.24 H new ATOM 0 HG3 GLN A 68 32.878 7.397 10.350 1.00 70.24 H new ATOM 0 HE21 GLN A 68 33.628 7.987 8.285 1.00 50.53 H new ATOM 0 HE22 GLN A 68 34.091 9.647 7.899 1.00 50.53 H new ATOM 1040 N GLN A 69 30.911 8.490 14.674 1.00 3.22 N ATOM 1041 CA GLN A 69 30.494 8.966 15.989 1.00 64.01 C ATOM 1042 C GLN A 69 29.792 7.855 16.773 1.00 2.34 C ATOM 1043 O GLN A 69 30.178 7.524 17.894 1.00 32.30 O ATOM 1044 CB GLN A 69 29.561 10.180 15.842 1.00 45.14 C ATOM 1045 CG GLN A 69 30.215 11.402 15.196 1.00 65.55 C ATOM 1046 CD GLN A 69 31.289 12.046 16.064 1.00 2.42 C ATOM 1047 OE1 GLN A 69 31.960 11.379 16.854 1.00 1.02 O ATOM 1048 NE2 GLN A 69 31.457 13.350 15.924 1.00 3.02 N ATOM 0 H GLN A 69 30.190 8.561 13.956 1.00 3.22 H new ATOM 0 HA GLN A 69 31.384 9.266 16.542 1.00 64.01 H new ATOM 0 HB2 GLN A 69 28.696 9.888 15.247 1.00 45.14 H new ATOM 0 HB3 GLN A 69 29.190 10.460 16.828 1.00 45.14 H new ATOM 0 HG2 GLN A 69 30.657 11.107 14.244 1.00 65.55 H new ATOM 0 HG3 GLN A 69 29.446 12.142 14.975 1.00 65.55 H new ATOM 0 HE21 GLN A 69 30.883 13.870 15.260 1.00 3.02 H new ATOM 0 HE22 GLN A 69 32.160 13.836 16.480 1.00 3.02 H new ATOM 1057 N TYR A 70 28.775 7.262 16.154 1.00 15.43 N ATOM 1058 CA TYR A 70 27.865 6.344 16.839 1.00 52.45 C ATOM 1059 C TYR A 70 28.382 4.904 16.881 1.00 43.25 C ATOM 1060 O TYR A 70 27.613 3.996 17.182 1.00 23.43 O ATOM 1061 CB TYR A 70 26.497 6.350 16.146 1.00 41.22 C ATOM 1062 CG TYR A 70 25.823 7.709 16.066 1.00 45.13 C ATOM 1063 CD1 TYR A 70 25.187 8.119 14.900 1.00 21.13 C ATOM 1064 CD2 TYR A 70 25.801 8.570 17.160 1.00 51.10 C ATOM 1065 CE1 TYR A 70 24.549 9.339 14.822 1.00 24.45 C ATOM 1066 CE2 TYR A 70 25.166 9.797 17.088 1.00 75.23 C ATOM 1067 CZ TYR A 70 24.541 10.174 15.917 1.00 51.34 C ATOM 1068 OH TYR A 70 23.895 11.389 15.837 1.00 41.22 O ATOM 0 H TYR A 70 28.558 7.402 15.167 1.00 15.43 H new ATOM 0 HA TYR A 70 27.787 6.700 17.866 1.00 52.45 H new ATOM 0 HB2 TYR A 70 26.617 5.961 15.135 1.00 41.22 H new ATOM 0 HB3 TYR A 70 25.836 5.664 16.675 1.00 41.22 H new ATOM 0 HD1 TYR A 70 25.193 7.469 14.038 1.00 21.13 H new ATOM 0 HD2 TYR A 70 26.287 8.276 18.078 1.00 51.10 H new ATOM 0 HE1 TYR A 70 24.058 9.638 13.907 1.00 24.45 H new ATOM 0 HE2 TYR A 70 25.160 10.456 17.944 1.00 75.23 H new ATOM 0 HH TYR A 70 22.961 11.246 15.579 1.00 41.22 H new ATOM 1078 N THR A 71 29.663 4.684 16.595 1.00 10.13 N ATOM 1079 CA THR A 71 30.219 3.325 16.564 1.00 50.24 C ATOM 1080 C THR A 71 29.920 2.566 17.866 1.00 4.21 C ATOM 1081 O THR A 71 29.720 1.349 17.861 1.00 74.33 O ATOM 1082 CB THR A 71 31.748 3.339 16.297 1.00 24.21 C ATOM 1083 OG1 THR A 71 32.259 1.997 16.209 1.00 64.41 O ATOM 1084 CG2 THR A 71 32.498 4.099 17.388 1.00 61.32 C ATOM 0 H THR A 71 30.335 5.421 16.382 1.00 10.13 H new ATOM 0 HA THR A 71 29.732 2.804 15.740 1.00 50.24 H new ATOM 0 HB THR A 71 31.907 3.850 15.347 1.00 24.21 H new ATOM 0 HG1 THR A 71 33.224 2.025 16.039 1.00 64.41 H new ATOM 0 HG21 THR A 71 33.566 4.089 17.170 1.00 61.32 H new ATOM 0 HG22 THR A 71 32.144 5.129 17.423 1.00 61.32 H new ATOM 0 HG23 THR A 71 32.320 3.622 18.352 1.00 61.32 H new ATOM 1092 N GLU A 72 29.848 3.300 18.972 1.00 42.02 N ATOM 1093 CA GLU A 72 29.598 2.711 20.288 1.00 2.30 C ATOM 1094 C GLU A 72 28.187 2.115 20.380 1.00 20.15 C ATOM 1095 O GLU A 72 27.897 1.313 21.268 1.00 10.35 O ATOM 1096 CB GLU A 72 29.794 3.778 21.376 1.00 23.31 C ATOM 1097 CG GLU A 72 31.204 4.370 21.403 1.00 35.11 C ATOM 1098 CD GLU A 72 31.361 5.487 22.425 1.00 4.31 C ATOM 1099 OE1 GLU A 72 31.245 5.211 23.638 1.00 53.34 O ATOM 1100 OE2 GLU A 72 31.610 6.645 22.019 1.00 12.34 O1- ATOM 0 H GLU A 72 29.960 4.314 18.985 1.00 42.02 H new ATOM 0 HA GLU A 72 30.310 1.899 20.438 1.00 2.30 H new ATOM 0 HB2 GLU A 72 29.074 4.581 21.220 1.00 23.31 H new ATOM 0 HB3 GLU A 72 29.574 3.338 22.349 1.00 23.31 H new ATOM 0 HG2 GLU A 72 31.920 3.579 21.625 1.00 35.11 H new ATOM 0 HG3 GLU A 72 31.450 4.754 20.413 1.00 35.11 H new ATOM 1107 N ASN A 73 27.316 2.509 19.451 1.00 63.04 N ATOM 1108 CA ASN A 73 25.913 2.081 19.462 1.00 35.11 C ATOM 1109 C ASN A 73 25.535 1.430 18.122 1.00 33.10 C ATOM 1110 O ASN A 73 24.446 0.864 17.982 1.00 0.10 O ATOM 1111 CB ASN A 73 25.014 3.299 19.762 1.00 12.34 C ATOM 1112 CG ASN A 73 23.689 2.962 20.448 1.00 31.21 C ATOM 1113 OD1 ASN A 73 23.061 1.854 20.084 1.00 72.31 O flip ATOM 1114 ND2 ASN A 73 23.210 3.727 21.287 1.00 23.54 N flip ATOM 0 H ASN A 73 27.557 3.127 18.676 1.00 63.04 H new ATOM 0 HA ASN A 73 25.767 1.333 20.241 1.00 35.11 H new ATOM 0 HB2 ASN A 73 25.567 3.995 20.392 1.00 12.34 H new ATOM 0 HB3 ASN A 73 24.802 3.816 18.826 1.00 12.34 H new ATOM 0 HD21 ASN A 73 23.713 4.574 21.551 1.00 23.54 H new ATOM 0 HD22 ASN A 73 22.311 3.513 21.718 1.00 23.54 H new ATOM 1121 N VAL A 74 26.443 1.482 17.141 1.00 2.14 N ATOM 1122 CA VAL A 74 26.187 0.896 15.817 1.00 55.14 C ATOM 1123 C VAL A 74 27.459 0.248 15.279 1.00 12.43 C ATOM 1124 O VAL A 74 28.568 0.675 15.601 1.00 43.31 O ATOM 1125 CB VAL A 74 25.669 1.935 14.773 1.00 20.14 C ATOM 1126 CG1 VAL A 74 24.406 2.643 15.267 1.00 3.23 C ATOM 1127 CG2 VAL A 74 26.751 2.951 14.407 1.00 4.53 C ATOM 0 H VAL A 74 27.358 1.922 17.236 1.00 2.14 H new ATOM 0 HA VAL A 74 25.402 0.153 15.957 1.00 55.14 H new ATOM 0 HB VAL A 74 25.412 1.381 13.870 1.00 20.14 H new ATOM 0 HG11 VAL A 74 24.073 3.359 14.516 1.00 3.23 H new ATOM 0 HG12 VAL A 74 23.621 1.907 15.440 1.00 3.23 H new ATOM 0 HG13 VAL A 74 24.623 3.168 16.197 1.00 3.23 H new ATOM 0 HG21 VAL A 74 26.355 3.658 13.678 1.00 4.53 H new ATOM 0 HG22 VAL A 74 27.063 3.489 15.302 1.00 4.53 H new ATOM 0 HG23 VAL A 74 27.608 2.431 13.979 1.00 4.53 H new ATOM 1137 N LYS A 75 27.299 -0.784 14.463 1.00 21.20 N ATOM 1138 CA LYS A 75 28.442 -1.486 13.893 1.00 21.35 C ATOM 1139 C LYS A 75 28.112 -1.949 12.477 1.00 63.31 C ATOM 1140 O LYS A 75 27.088 -2.594 12.259 1.00 34.44 O ATOM 1141 CB LYS A 75 28.815 -2.687 14.779 1.00 1.33 C ATOM 1142 CG LYS A 75 30.284 -3.090 14.683 1.00 33.24 C ATOM 1143 CD LYS A 75 31.204 -1.968 15.164 1.00 0.45 C ATOM 1144 CE LYS A 75 30.938 -1.586 16.622 1.00 50.22 C ATOM 1145 NZ LYS A 75 31.802 -0.461 17.073 1.00 60.14 N1+ ATOM 0 H LYS A 75 26.391 -1.154 14.181 1.00 21.20 H new ATOM 0 HA LYS A 75 29.295 -0.808 13.849 1.00 21.35 H new ATOM 0 HB2 LYS A 75 28.580 -2.448 15.816 1.00 1.33 H new ATOM 0 HB3 LYS A 75 28.195 -3.539 14.500 1.00 1.33 H new ATOM 0 HG2 LYS A 75 30.457 -3.985 15.280 1.00 33.24 H new ATOM 0 HG3 LYS A 75 30.526 -3.344 13.651 1.00 33.24 H new ATOM 0 HD2 LYS A 75 32.243 -2.281 15.056 1.00 0.45 H new ATOM 0 HD3 LYS A 75 31.067 -1.092 14.530 1.00 0.45 H new ATOM 0 HE2 LYS A 75 29.891 -1.307 16.738 1.00 50.22 H new ATOM 0 HE3 LYS A 75 31.110 -2.453 17.260 1.00 50.22 H new ATOM 0 HZ1 LYS A 75 31.726 -0.357 18.105 1.00 60.14 H new ATOM 0 HZ2 LYS A 75 32.790 -0.658 16.816 1.00 60.14 H new ATOM 0 HZ3 LYS A 75 31.494 0.419 16.613 1.00 60.14 H new ATOM 1159 N ILE A 76 28.968 -1.604 11.517 1.00 51.50 N ATOM 1160 CA ILE A 76 28.742 -1.974 10.120 1.00 62.42 C ATOM 1161 C ILE A 76 29.504 -3.253 9.778 1.00 42.41 C ATOM 1162 O ILE A 76 30.610 -3.475 10.273 1.00 55.02 O ATOM 1163 CB ILE A 76 29.145 -0.831 9.139 1.00 12.35 C ATOM 1164 CG1 ILE A 76 28.178 0.367 9.254 1.00 1.12 C ATOM 1165 CG2 ILE A 76 29.189 -1.333 7.692 1.00 3.40 C ATOM 1166 CD1 ILE A 76 28.215 1.087 10.588 1.00 74.42 C ATOM 0 H ILE A 76 29.822 -1.070 11.679 1.00 51.50 H new ATOM 0 HA ILE A 76 27.673 -2.148 10.000 1.00 62.42 H new ATOM 0 HB ILE A 76 30.144 -0.499 9.420 1.00 12.35 H new ATOM 0 HG12 ILE A 76 28.411 1.082 8.465 1.00 1.12 H new ATOM 0 HG13 ILE A 76 27.162 0.015 9.075 1.00 1.12 H new ATOM 0 HG21 ILE A 76 29.473 -0.514 7.031 1.00 3.40 H new ATOM 0 HG22 ILE A 76 29.920 -2.137 7.608 1.00 3.40 H new ATOM 0 HG23 ILE A 76 28.205 -1.706 7.406 1.00 3.40 H new ATOM 0 HD11 ILE A 76 27.504 1.913 10.576 1.00 74.42 H new ATOM 0 HD12 ILE A 76 27.950 0.392 11.384 1.00 74.42 H new ATOM 0 HD13 ILE A 76 29.218 1.475 10.764 1.00 74.42 H new ATOM 1178 N TYR A 77 28.892 -4.099 8.953 1.00 71.03 N ATOM 1179 CA TYR A 77 29.493 -5.363 8.537 1.00 54.11 C ATOM 1180 C TYR A 77 29.310 -5.569 7.032 1.00 51.43 C ATOM 1181 O TYR A 77 28.200 -5.410 6.510 1.00 72.20 O ATOM 1182 CB TYR A 77 28.859 -6.541 9.296 1.00 71.24 C ATOM 1183 CG TYR A 77 29.082 -6.525 10.802 1.00 24.41 C ATOM 1184 CD1 TYR A 77 30.089 -7.285 11.386 1.00 45.12 C ATOM 1185 CD2 TYR A 77 28.280 -5.758 11.641 1.00 42.11 C ATOM 1186 CE1 TYR A 77 30.290 -7.281 12.753 1.00 42.33 C ATOM 1187 CE2 TYR A 77 28.479 -5.749 13.008 1.00 12.11 C ATOM 1188 CZ TYR A 77 29.484 -6.512 13.558 1.00 64.01 C ATOM 1189 OH TYR A 77 29.682 -6.506 14.920 1.00 63.24 O ATOM 0 H TYR A 77 27.968 -3.928 8.555 1.00 71.03 H new ATOM 0 HA TYR A 77 30.557 -5.324 8.769 1.00 54.11 H new ATOM 0 HB2 TYR A 77 27.786 -6.545 9.102 1.00 71.24 H new ATOM 0 HB3 TYR A 77 29.259 -7.472 8.894 1.00 71.24 H new ATOM 0 HD1 TYR A 77 30.727 -7.890 10.759 1.00 45.12 H new ATOM 0 HD2 TYR A 77 27.488 -5.159 11.216 1.00 42.11 H new ATOM 0 HE1 TYR A 77 31.077 -7.880 13.187 1.00 42.33 H new ATOM 0 HE2 TYR A 77 27.848 -5.145 13.643 1.00 12.11 H new ATOM 0 HH TYR A 77 29.029 -5.910 15.343 1.00 63.24 H new ATOM 1199 N LYS A 78 30.393 -5.922 6.342 1.00 62.34 N ATOM 1200 CA LYS A 78 30.334 -6.192 4.905 1.00 72.22 C ATOM 1201 C LYS A 78 29.967 -7.655 4.650 1.00 34.31 C ATOM 1202 O LYS A 78 30.513 -8.564 5.287 1.00 24.42 O ATOM 1203 CB LYS A 78 31.669 -5.852 4.217 1.00 35.54 C ATOM 1204 CG LYS A 78 32.863 -6.666 4.718 1.00 40.51 C ATOM 1205 CD LYS A 78 34.129 -6.397 3.903 1.00 21.44 C ATOM 1206 CE LYS A 78 33.964 -6.809 2.439 1.00 63.24 C ATOM 1207 NZ LYS A 78 35.228 -6.654 1.669 1.00 25.23 N1+ ATOM 0 H LYS A 78 31.321 -6.028 6.753 1.00 62.34 H new ATOM 0 HA LYS A 78 29.561 -5.553 4.478 1.00 72.22 H new ATOM 0 HB2 LYS A 78 31.561 -6.010 3.144 1.00 35.54 H new ATOM 0 HB3 LYS A 78 31.880 -4.793 4.363 1.00 35.54 H new ATOM 0 HG2 LYS A 78 33.050 -6.427 5.765 1.00 40.51 H new ATOM 0 HG3 LYS A 78 32.622 -7.728 4.671 1.00 40.51 H new ATOM 0 HD2 LYS A 78 34.376 -5.337 3.956 1.00 21.44 H new ATOM 0 HD3 LYS A 78 34.965 -6.942 4.341 1.00 21.44 H new ATOM 0 HE2 LYS A 78 33.635 -7.847 2.390 1.00 63.24 H new ATOM 0 HE3 LYS A 78 33.183 -6.204 1.978 1.00 63.24 H new ATOM 0 HZ1 LYS A 78 35.071 -6.944 0.683 1.00 25.23 H new ATOM 0 HZ2 LYS A 78 35.530 -5.659 1.694 1.00 25.23 H new ATOM 0 HZ3 LYS A 78 35.968 -7.250 2.092 1.00 25.23 H new ATOM 1221 N ILE A 79 29.040 -7.866 3.720 1.00 72.50 N ATOM 1222 CA ILE A 79 28.562 -9.204 3.368 1.00 53.33 C ATOM 1223 C ILE A 79 29.370 -9.780 2.198 1.00 33.42 C ATOM 1224 O ILE A 79 30.032 -9.043 1.465 1.00 12.31 O ATOM 1225 CB ILE A 79 27.049 -9.160 2.991 1.00 52.41 C ATOM 1226 CG1 ILE A 79 26.493 -10.565 2.681 1.00 51.14 C ATOM 1227 CG2 ILE A 79 26.817 -8.222 1.805 1.00 52.15 C ATOM 1228 CD1 ILE A 79 26.610 -11.547 3.830 1.00 11.22 C ATOM 0 H ILE A 79 28.598 -7.116 3.188 1.00 72.50 H new ATOM 0 HA ILE A 79 28.695 -9.849 4.237 1.00 53.33 H new ATOM 0 HB ILE A 79 26.509 -8.776 3.857 1.00 52.41 H new ATOM 0 HG12 ILE A 79 25.444 -10.474 2.401 1.00 51.14 H new ATOM 0 HG13 ILE A 79 27.020 -10.970 1.817 1.00 51.14 H new ATOM 0 HG21 ILE A 79 25.756 -8.205 1.557 1.00 52.15 H new ATOM 0 HG22 ILE A 79 27.145 -7.216 2.067 1.00 52.15 H new ATOM 0 HG23 ILE A 79 27.385 -8.576 0.945 1.00 52.15 H new ATOM 0 HD11 ILE A 79 26.196 -12.510 3.529 1.00 11.22 H new ATOM 0 HD12 ILE A 79 27.659 -11.671 4.098 1.00 11.22 H new ATOM 0 HD13 ILE A 79 26.058 -11.168 4.690 1.00 11.22 H new ATOM 1240 N ASN A 80 29.327 -11.106 2.050 1.00 55.21 N ATOM 1241 CA ASN A 80 29.940 -11.790 0.909 1.00 12.33 C ATOM 1242 C ASN A 80 29.195 -11.408 -0.382 1.00 30.24 C ATOM 1243 O ASN A 80 28.224 -10.650 -0.331 1.00 43.42 O ATOM 1244 CB ASN A 80 29.909 -13.315 1.143 1.00 3.31 C ATOM 1245 CG ASN A 80 30.748 -14.098 0.142 1.00 31.22 C ATOM 1246 OD1 ASN A 80 30.264 -14.501 -0.915 1.00 50.11 O ATOM 1247 ND2 ASN A 80 32.015 -14.316 0.462 1.00 15.25 N ATOM 0 H ASN A 80 28.870 -11.732 2.713 1.00 55.21 H new ATOM 0 HA ASN A 80 30.981 -11.482 0.806 1.00 12.33 H new ATOM 0 HB2 ASN A 80 30.267 -13.528 2.150 1.00 3.31 H new ATOM 0 HB3 ASN A 80 28.877 -13.662 1.091 1.00 3.31 H new ATOM 0 HD21 ASN A 80 32.621 -14.832 -0.176 1.00 15.25 H new ATOM 0 HD22 ASN A 80 32.385 -13.968 1.347 1.00 15.25 H new ATOM 1254 N ILE A 81 29.645 -11.928 -1.529 1.00 22.42 N ATOM 1255 CA ILE A 81 29.067 -11.576 -2.831 1.00 23.05 C ATOM 1256 C ILE A 81 27.533 -11.588 -2.787 1.00 33.25 C ATOM 1257 O ILE A 81 26.919 -12.586 -2.402 1.00 51.01 O ATOM 1258 CB ILE A 81 29.562 -12.532 -3.947 1.00 44.25 C ATOM 1259 CG1 ILE A 81 31.101 -12.522 -4.018 1.00 61.14 C ATOM 1260 CG2 ILE A 81 28.953 -12.148 -5.299 1.00 43.44 C ATOM 1261 CD1 ILE A 81 31.676 -13.482 -5.040 1.00 45.22 C ATOM 0 H ILE A 81 30.412 -12.598 -1.582 1.00 22.42 H new ATOM 0 HA ILE A 81 29.402 -10.565 -3.061 1.00 23.05 H new ATOM 0 HB ILE A 81 29.235 -13.543 -3.705 1.00 44.25 H new ATOM 0 HG12 ILE A 81 31.437 -11.512 -4.253 1.00 61.14 H new ATOM 0 HG13 ILE A 81 31.502 -12.770 -3.035 1.00 61.14 H new ATOM 0 HG21 ILE A 81 29.314 -12.831 -6.068 1.00 43.44 H new ATOM 0 HG22 ILE A 81 27.866 -12.210 -5.239 1.00 43.44 H new ATOM 0 HG23 ILE A 81 29.245 -11.129 -5.553 1.00 43.44 H new ATOM 0 HD11 ILE A 81 32.764 -13.416 -5.029 1.00 45.22 H new ATOM 0 HD12 ILE A 81 31.372 -14.500 -4.795 1.00 45.22 H new ATOM 0 HD13 ILE A 81 31.306 -13.222 -6.032 1.00 45.22 H new ATOM 1273 N GLU A 82 26.945 -10.471 -3.216 1.00 44.23 N ATOM 1274 CA GLU A 82 25.510 -10.194 -3.081 1.00 71.24 C ATOM 1275 C GLU A 82 24.619 -11.394 -3.432 1.00 44.33 C ATOM 1276 O GLU A 82 23.749 -11.779 -2.650 1.00 35.15 O ATOM 1277 CB GLU A 82 25.139 -8.990 -3.967 1.00 64.13 C ATOM 1278 CG GLU A 82 25.508 -9.178 -5.439 1.00 31.24 C ATOM 1279 CD GLU A 82 25.137 -7.989 -6.309 1.00 30.42 C ATOM 1280 OE1 GLU A 82 23.925 -7.737 -6.495 1.00 33.41 O ATOM 1281 OE2 GLU A 82 26.050 -7.323 -6.835 1.00 62.11 O1- ATOM 0 H GLU A 82 27.459 -9.719 -3.675 1.00 44.23 H new ATOM 0 HA GLU A 82 25.326 -9.973 -2.030 1.00 71.24 H new ATOM 0 HB2 GLU A 82 24.067 -8.809 -3.890 1.00 64.13 H new ATOM 0 HB3 GLU A 82 25.641 -8.100 -3.586 1.00 64.13 H new ATOM 0 HG2 GLU A 82 26.581 -9.356 -5.517 1.00 31.24 H new ATOM 0 HG3 GLU A 82 25.008 -10.068 -5.821 1.00 31.24 H new ATOM 1288 N ASP A 83 24.859 -12.000 -4.591 1.00 43.44 N ATOM 1289 CA ASP A 83 23.944 -13.005 -5.142 1.00 1.35 C ATOM 1290 C ASP A 83 24.068 -14.358 -4.424 1.00 52.24 C ATOM 1291 O ASP A 83 23.382 -15.321 -4.777 1.00 50.42 O ATOM 1292 CB ASP A 83 24.193 -13.168 -6.651 1.00 61.33 C ATOM 1293 CG ASP A 83 23.124 -14.007 -7.339 1.00 51.23 C ATOM 1294 OD1 ASP A 83 21.959 -13.544 -7.429 1.00 4.11 O ATOM 1295 OD2 ASP A 83 23.436 -15.124 -7.798 1.00 64.43 O1- ATOM 0 H ASP A 83 25.678 -11.815 -5.170 1.00 43.44 H new ATOM 0 HA ASP A 83 22.926 -12.651 -4.980 1.00 1.35 H new ATOM 0 HB2 ASP A 83 24.231 -12.183 -7.117 1.00 61.33 H new ATOM 0 HB3 ASP A 83 25.167 -13.631 -6.806 1.00 61.33 H new ATOM 1300 N ASN A 84 24.924 -14.432 -3.405 1.00 3.22 N ATOM 1301 CA ASN A 84 25.096 -15.674 -2.640 1.00 41.42 C ATOM 1302 C ASN A 84 24.192 -15.694 -1.417 1.00 71.24 C ATOM 1303 O ASN A 84 24.113 -16.696 -0.707 1.00 34.42 O ATOM 1304 CB ASN A 84 26.560 -15.884 -2.229 1.00 4.01 C ATOM 1305 CG ASN A 84 27.441 -16.237 -3.411 1.00 21.53 C ATOM 1306 OD1 ASN A 84 28.026 -15.232 -4.037 1.00 73.13 O flip ATOM 1307 ND2 ASN A 84 27.589 -17.405 -3.764 1.00 73.35 N flip ATOM 0 H ASN A 84 25.506 -13.656 -3.090 1.00 3.22 H new ATOM 0 HA ASN A 84 24.809 -16.498 -3.293 1.00 41.42 H new ATOM 0 HB2 ASN A 84 26.936 -14.977 -1.755 1.00 4.01 H new ATOM 0 HB3 ASN A 84 26.617 -16.679 -1.485 1.00 4.01 H new ATOM 0 HD21 ASN A 84 27.121 -18.155 -3.255 1.00 73.35 H new ATOM 0 HD22 ASN A 84 28.180 -17.624 -4.566 1.00 73.35 H new ATOM 1314 N GLN A 85 23.501 -14.594 -1.192 1.00 22.22 N ATOM 1315 CA GLN A 85 22.536 -14.490 -0.104 1.00 1.01 C ATOM 1316 C GLN A 85 21.210 -13.964 -0.635 1.00 54.43 C ATOM 1317 O GLN A 85 21.126 -12.841 -1.137 1.00 4.25 O ATOM 1318 CB GLN A 85 23.071 -13.600 1.035 1.00 23.04 C ATOM 1319 CG GLN A 85 23.894 -14.369 2.066 1.00 4.41 C ATOM 1320 CD GLN A 85 23.071 -15.428 2.788 1.00 74.21 C ATOM 1321 OE1 GLN A 85 21.864 -15.263 2.991 1.00 63.03 O ATOM 1322 NE2 GLN A 85 23.705 -16.526 3.165 1.00 24.34 N ATOM 0 H GLN A 85 23.589 -13.747 -1.754 1.00 22.22 H new ATOM 0 HA GLN A 85 22.375 -15.485 0.312 1.00 1.01 H new ATOM 0 HB2 GLN A 85 23.685 -12.806 0.609 1.00 23.04 H new ATOM 0 HB3 GLN A 85 22.231 -13.119 1.536 1.00 23.04 H new ATOM 0 HG2 GLN A 85 24.740 -14.845 1.571 1.00 4.41 H new ATOM 0 HG3 GLN A 85 24.303 -13.670 2.795 1.00 4.41 H new ATOM 0 HE21 GLN A 85 24.703 -16.627 2.980 1.00 24.34 H new ATOM 0 HE22 GLN A 85 23.196 -17.271 3.640 1.00 24.34 H new ATOM 1331 N ASP A 86 20.174 -14.788 -0.509 1.00 50.34 N ATOM 1332 CA ASP A 86 18.849 -14.469 -1.038 1.00 2.10 C ATOM 1333 C ASP A 86 18.224 -13.297 -0.287 1.00 44.40 C ATOM 1334 O ASP A 86 17.141 -12.842 -0.642 1.00 61.45 O ATOM 1335 CB ASP A 86 17.926 -15.690 -0.945 1.00 2.12 C ATOM 1336 CG ASP A 86 18.519 -16.931 -1.592 1.00 40.31 C ATOM 1337 OD1 ASP A 86 19.147 -17.742 -0.873 1.00 0.05 O ATOM 1338 OD2 ASP A 86 18.362 -17.104 -2.820 1.00 23.02 O1- ATOM 0 H ASP A 86 20.227 -15.692 -0.040 1.00 50.34 H new ATOM 0 HA ASP A 86 18.969 -14.187 -2.084 1.00 2.10 H new ATOM 0 HB2 ASP A 86 17.714 -15.899 0.103 1.00 2.12 H new ATOM 0 HB3 ASP A 86 16.974 -15.457 -1.423 1.00 2.12 H new ATOM 1343 N VAL A 87 18.907 -12.823 0.756 1.00 13.30 N ATOM 1344 CA VAL A 87 18.453 -11.667 1.529 1.00 62.12 C ATOM 1345 C VAL A 87 18.164 -10.483 0.606 1.00 75.03 C ATOM 1346 O VAL A 87 17.145 -9.796 0.746 1.00 51.34 O ATOM 1347 CB VAL A 87 19.510 -11.251 2.588 1.00 2.21 C ATOM 1348 CG1 VAL A 87 19.021 -10.068 3.424 1.00 43.34 C ATOM 1349 CG2 VAL A 87 19.871 -12.434 3.486 1.00 65.21 C ATOM 0 H VAL A 87 19.784 -13.226 1.087 1.00 13.30 H new ATOM 0 HA VAL A 87 17.536 -11.955 2.044 1.00 62.12 H new ATOM 0 HB VAL A 87 20.408 -10.936 2.056 1.00 2.21 H new ATOM 0 HG11 VAL A 87 19.783 -9.800 4.156 1.00 43.34 H new ATOM 0 HG12 VAL A 87 18.829 -9.216 2.772 1.00 43.34 H new ATOM 0 HG13 VAL A 87 18.102 -10.343 3.941 1.00 43.34 H new ATOM 0 HG21 VAL A 87 20.613 -12.120 4.220 1.00 65.21 H new ATOM 0 HG22 VAL A 87 18.977 -12.786 4.001 1.00 65.21 H new ATOM 0 HG23 VAL A 87 20.281 -13.241 2.878 1.00 65.21 H new ATOM 1359 N ALA A 88 19.059 -10.266 -0.354 1.00 73.53 N ATOM 1360 CA ALA A 88 18.892 -9.195 -1.329 1.00 4.22 C ATOM 1361 C ALA A 88 17.622 -9.419 -2.144 1.00 33.01 C ATOM 1362 O ALA A 88 16.848 -8.491 -2.381 1.00 64.21 O ATOM 1363 CB ALA A 88 20.114 -9.115 -2.239 1.00 23.14 C ATOM 0 H ALA A 88 19.907 -10.819 -0.477 1.00 73.53 H new ATOM 0 HA ALA A 88 18.797 -8.246 -0.800 1.00 4.22 H new ATOM 0 HB1 ALA A 88 19.977 -8.311 -2.963 1.00 23.14 H new ATOM 0 HB2 ALA A 88 21.002 -8.916 -1.639 1.00 23.14 H new ATOM 0 HB3 ALA A 88 20.237 -10.061 -2.766 1.00 23.14 H new ATOM 1369 N THR A 89 17.405 -10.666 -2.545 1.00 32.23 N ATOM 1370 CA THR A 89 16.219 -11.046 -3.300 1.00 45.14 C ATOM 1371 C THR A 89 14.967 -10.927 -2.424 1.00 52.40 C ATOM 1372 O THR A 89 13.876 -10.616 -2.906 1.00 44.23 O ATOM 1373 CB THR A 89 16.356 -12.495 -3.818 1.00 71.01 C ATOM 1374 OG1 THR A 89 17.624 -12.654 -4.472 1.00 30.12 O ATOM 1375 CG2 THR A 89 15.234 -12.848 -4.788 1.00 42.22 C ATOM 0 H THR A 89 18.044 -11.439 -2.357 1.00 32.23 H new ATOM 0 HA THR A 89 16.122 -10.371 -4.150 1.00 45.14 H new ATOM 0 HB THR A 89 16.290 -13.168 -2.963 1.00 71.01 H new ATOM 0 HG1 THR A 89 17.711 -13.574 -4.799 1.00 30.12 H new ATOM 0 HG21 THR A 89 15.361 -13.874 -5.133 1.00 42.22 H new ATOM 0 HG22 THR A 89 14.273 -12.751 -4.283 1.00 42.22 H new ATOM 0 HG23 THR A 89 15.265 -12.172 -5.642 1.00 42.22 H new ATOM 1383 N GLN A 90 15.152 -11.158 -1.125 1.00 42.33 N ATOM 1384 CA GLN A 90 14.067 -11.106 -0.152 1.00 62.23 C ATOM 1385 C GLN A 90 13.516 -9.688 -0.035 1.00 72.23 C ATOM 1386 O GLN A 90 12.323 -9.460 -0.231 1.00 53.33 O ATOM 1387 CB GLN A 90 14.564 -11.612 1.214 1.00 52.23 C ATOM 1388 CG GLN A 90 13.567 -11.420 2.354 1.00 24.12 C ATOM 1389 CD GLN A 90 14.021 -12.075 3.648 1.00 11.15 C ATOM 1390 OE1 GLN A 90 14.698 -13.104 3.635 1.00 13.10 O ATOM 1391 NE2 GLN A 90 13.655 -11.482 4.773 1.00 2.33 N ATOM 0 H GLN A 90 16.060 -11.386 -0.719 1.00 42.33 H new ATOM 0 HA GLN A 90 13.259 -11.753 -0.492 1.00 62.23 H new ATOM 0 HB2 GLN A 90 14.804 -12.672 1.131 1.00 52.23 H new ATOM 0 HB3 GLN A 90 15.490 -11.095 1.465 1.00 52.23 H new ATOM 0 HG2 GLN A 90 13.417 -10.354 2.524 1.00 24.12 H new ATOM 0 HG3 GLN A 90 12.602 -11.834 2.061 1.00 24.12 H new ATOM 0 HE21 GLN A 90 13.094 -10.631 4.742 1.00 2.33 H new ATOM 0 HE22 GLN A 90 13.934 -11.876 5.671 1.00 2.33 H new ATOM 1400 N TYR A 91 14.394 -8.738 0.267 1.00 4.30 N ATOM 1401 CA TYR A 91 13.990 -7.341 0.420 1.00 53.43 C ATOM 1402 C TYR A 91 13.841 -6.658 -0.939 1.00 30.11 C ATOM 1403 O TYR A 91 13.347 -5.533 -1.027 1.00 53.21 O ATOM 1404 CB TYR A 91 14.996 -6.589 1.301 1.00 31.11 C ATOM 1405 CG TYR A 91 15.020 -7.087 2.737 1.00 40.52 C ATOM 1406 CD1 TYR A 91 15.855 -8.130 3.122 1.00 13.10 C ATOM 1407 CD2 TYR A 91 14.194 -6.519 3.703 1.00 74.03 C ATOM 1408 CE1 TYR A 91 15.868 -8.593 4.425 1.00 3.15 C ATOM 1409 CE2 TYR A 91 14.205 -6.975 5.008 1.00 34.24 C ATOM 1410 CZ TYR A 91 15.042 -8.012 5.363 1.00 20.21 C ATOM 1411 OH TYR A 91 15.051 -8.471 6.662 1.00 61.21 O ATOM 0 H TYR A 91 15.390 -8.907 0.411 1.00 4.30 H new ATOM 0 HA TYR A 91 13.016 -7.320 0.910 1.00 53.43 H new ATOM 0 HB2 TYR A 91 15.993 -6.690 0.871 1.00 31.11 H new ATOM 0 HB3 TYR A 91 14.752 -5.527 1.295 1.00 31.11 H new ATOM 0 HD1 TYR A 91 16.505 -8.587 2.390 1.00 13.10 H new ATOM 0 HD2 TYR A 91 13.534 -5.709 3.429 1.00 74.03 H new ATOM 0 HE1 TYR A 91 16.522 -9.405 4.706 1.00 3.15 H new ATOM 0 HE2 TYR A 91 13.561 -6.521 5.746 1.00 34.24 H new ATOM 0 HH TYR A 91 15.941 -8.819 6.880 1.00 61.21 H new ATOM 1421 N GLY A 92 14.268 -7.348 -1.992 1.00 31.34 N ATOM 1422 CA GLY A 92 14.104 -6.838 -3.341 1.00 71.21 C ATOM 1423 C GLY A 92 15.051 -5.695 -3.651 1.00 34.23 C ATOM 1424 O GLY A 92 14.638 -4.656 -4.169 1.00 3.03 O ATOM 0 H GLY A 92 14.727 -8.257 -1.934 1.00 31.34 H new ATOM 0 HA2 GLY A 92 14.270 -7.646 -4.054 1.00 71.21 H new ATOM 0 HA3 GLY A 92 13.076 -6.500 -3.475 1.00 71.21 H new ATOM 1428 N VAL A 93 16.324 -5.888 -3.323 1.00 73.50 N ATOM 1429 CA VAL A 93 17.354 -4.893 -3.598 1.00 73.43 C ATOM 1430 C VAL A 93 17.536 -4.716 -5.107 1.00 61.21 C ATOM 1431 O VAL A 93 18.097 -5.581 -5.784 1.00 11.43 O ATOM 1432 CB VAL A 93 18.708 -5.284 -2.947 1.00 54.32 C ATOM 1433 CG1 VAL A 93 19.806 -4.288 -3.319 1.00 11.30 C ATOM 1434 CG2 VAL A 93 18.562 -5.389 -1.429 1.00 50.32 C ATOM 0 H VAL A 93 16.669 -6.731 -2.863 1.00 73.50 H new ATOM 0 HA VAL A 93 17.026 -3.949 -3.162 1.00 73.43 H new ATOM 0 HB VAL A 93 19.000 -6.261 -3.333 1.00 54.32 H new ATOM 0 HG11 VAL A 93 20.743 -4.587 -2.849 1.00 11.30 H new ATOM 0 HG12 VAL A 93 19.932 -4.273 -4.402 1.00 11.30 H new ATOM 0 HG13 VAL A 93 19.527 -3.293 -2.972 1.00 11.30 H new ATOM 0 HG21 VAL A 93 19.521 -5.664 -0.989 1.00 50.32 H new ATOM 0 HG22 VAL A 93 18.241 -4.428 -1.027 1.00 50.32 H new ATOM 0 HG23 VAL A 93 17.820 -6.150 -1.187 1.00 50.32 H new ATOM 1444 N SER A 94 17.034 -3.603 -5.629 1.00 25.11 N ATOM 1445 CA SER A 94 17.127 -3.301 -7.053 1.00 54.10 C ATOM 1446 C SER A 94 18.139 -2.184 -7.313 1.00 43.34 C ATOM 1447 O SER A 94 18.356 -1.787 -8.458 1.00 0.10 O ATOM 1448 CB SER A 94 15.743 -2.903 -7.578 1.00 65.43 C ATOM 1449 OG SER A 94 15.141 -1.925 -6.740 1.00 73.31 O ATOM 0 H SER A 94 16.554 -2.889 -5.082 1.00 25.11 H new ATOM 0 HA SER A 94 17.473 -4.190 -7.580 1.00 54.10 H new ATOM 0 HB2 SER A 94 15.833 -2.512 -8.592 1.00 65.43 H new ATOM 0 HB3 SER A 94 15.104 -3.784 -7.632 1.00 65.43 H new ATOM 0 HG SER A 94 14.260 -1.686 -7.097 1.00 73.31 H new ATOM 1455 N ALA A 95 18.762 -1.684 -6.248 1.00 1.42 N ATOM 1456 CA ALA A 95 19.704 -0.574 -6.359 1.00 2.23 C ATOM 1457 C ALA A 95 20.779 -0.665 -5.282 1.00 2.15 C ATOM 1458 O ALA A 95 20.469 -0.767 -4.095 1.00 24.14 O ATOM 1459 CB ALA A 95 18.966 0.758 -6.259 1.00 73.13 C ATOM 0 H ALA A 95 18.631 -2.031 -5.298 1.00 1.42 H new ATOM 0 HA ALA A 95 20.190 -0.635 -7.333 1.00 2.23 H new ATOM 0 HB1 ALA A 95 19.680 1.577 -6.343 1.00 73.13 H new ATOM 0 HB2 ALA A 95 18.235 0.830 -7.064 1.00 73.13 H new ATOM 0 HB3 ALA A 95 18.455 0.820 -5.298 1.00 73.13 H new ATOM 1465 N ILE A 96 22.040 -0.640 -5.709 1.00 21.41 N ATOM 1466 CA ILE A 96 23.175 -0.659 -4.788 1.00 72.10 C ATOM 1467 C ILE A 96 23.733 0.760 -4.605 1.00 12.44 C ATOM 1468 O ILE A 96 23.621 1.596 -5.511 1.00 54.32 O ATOM 1469 CB ILE A 96 24.300 -1.606 -5.287 1.00 14.01 C ATOM 1470 CG1 ILE A 96 24.797 -1.181 -6.682 1.00 72.43 C ATOM 1471 CG2 ILE A 96 23.810 -3.056 -5.303 1.00 62.02 C ATOM 1472 CD1 ILE A 96 25.929 -2.036 -7.216 1.00 4.04 C ATOM 0 H ILE A 96 22.303 -0.606 -6.694 1.00 21.41 H new ATOM 0 HA ILE A 96 22.817 -1.036 -3.830 1.00 72.10 H new ATOM 0 HB ILE A 96 25.140 -1.534 -4.596 1.00 14.01 H new ATOM 0 HG12 ILE A 96 23.963 -1.221 -7.382 1.00 72.43 H new ATOM 0 HG13 ILE A 96 25.127 -0.143 -6.639 1.00 72.43 H new ATOM 0 HG21 ILE A 96 24.610 -3.707 -5.655 1.00 62.02 H new ATOM 0 HG22 ILE A 96 23.518 -3.353 -4.296 1.00 62.02 H new ATOM 0 HG23 ILE A 96 22.952 -3.143 -5.970 1.00 62.02 H new ATOM 0 HD11 ILE A 96 26.224 -1.675 -8.201 1.00 4.04 H new ATOM 0 HD12 ILE A 96 26.781 -1.977 -6.538 1.00 4.04 H new ATOM 0 HD13 ILE A 96 25.598 -3.072 -7.293 1.00 4.04 H new ATOM 1484 N PRO A 97 24.328 1.068 -3.431 1.00 63.51 N ATOM 1485 CA PRO A 97 24.480 0.116 -2.319 1.00 0.10 C ATOM 1486 C PRO A 97 23.197 -0.033 -1.495 1.00 23.32 C ATOM 1487 O PRO A 97 22.181 0.613 -1.774 1.00 21.51 O ATOM 1488 CB PRO A 97 25.599 0.749 -1.487 1.00 2.01 C ATOM 1489 CG PRO A 97 25.429 2.218 -1.691 1.00 52.42 C ATOM 1490 CD PRO A 97 24.897 2.392 -3.096 1.00 65.31 C ATOM 0 HA PRO A 97 24.701 -0.895 -2.661 1.00 0.10 H new ATOM 0 HB2 PRO A 97 25.511 0.481 -0.434 1.00 2.01 H new ATOM 0 HB3 PRO A 97 26.581 0.413 -1.820 1.00 2.01 H new ATOM 0 HG2 PRO A 97 24.737 2.635 -0.959 1.00 52.42 H new ATOM 0 HG3 PRO A 97 26.378 2.740 -1.567 1.00 52.42 H new ATOM 0 HD2 PRO A 97 24.140 3.175 -3.142 1.00 65.31 H new ATOM 0 HD3 PRO A 97 25.689 2.673 -3.790 1.00 65.31 H new ATOM 1498 N THR A 98 23.244 -0.896 -0.490 1.00 22.24 N ATOM 1499 CA THR A 98 22.092 -1.148 0.367 1.00 10.42 C ATOM 1500 C THR A 98 22.552 -1.487 1.786 1.00 11.10 C ATOM 1501 O THR A 98 23.468 -2.284 1.967 1.00 71.12 O ATOM 1502 CB THR A 98 21.229 -2.306 -0.194 1.00 61.44 C ATOM 1503 OG1 THR A 98 20.909 -2.057 -1.571 1.00 52.41 O ATOM 1504 CG2 THR A 98 19.937 -2.479 0.600 1.00 21.20 C ATOM 0 H THR A 98 24.073 -1.437 -0.246 1.00 22.24 H new ATOM 0 HA THR A 98 21.485 -0.243 0.392 1.00 10.42 H new ATOM 0 HB THR A 98 21.811 -3.223 -0.107 1.00 61.44 H new ATOM 0 HG1 THR A 98 19.999 -1.700 -1.636 1.00 52.41 H new ATOM 0 HG21 THR A 98 19.358 -3.300 0.178 1.00 21.20 H new ATOM 0 HG22 THR A 98 20.176 -2.701 1.640 1.00 21.20 H new ATOM 0 HG23 THR A 98 19.353 -1.560 0.550 1.00 21.20 H new ATOM 1512 N ILE A 99 21.928 -0.865 2.782 1.00 53.14 N ATOM 1513 CA ILE A 99 22.266 -1.100 4.186 1.00 53.43 C ATOM 1514 C ILE A 99 21.046 -1.635 4.927 1.00 41.44 C ATOM 1515 O ILE A 99 19.945 -1.125 4.753 1.00 35.03 O ATOM 1516 CB ILE A 99 22.738 0.206 4.879 1.00 22.13 C ATOM 1517 CG1 ILE A 99 23.906 0.842 4.105 1.00 34.53 C ATOM 1518 CG2 ILE A 99 23.139 -0.061 6.332 1.00 13.11 C ATOM 1519 CD1 ILE A 99 24.332 2.190 4.648 1.00 33.44 C ATOM 0 H ILE A 99 21.178 -0.188 2.642 1.00 53.14 H new ATOM 0 HA ILE A 99 23.078 -1.827 4.216 1.00 53.43 H new ATOM 0 HB ILE A 99 21.904 0.907 4.879 1.00 22.13 H new ATOM 0 HG12 ILE A 99 24.759 0.164 4.130 1.00 34.53 H new ATOM 0 HG13 ILE A 99 23.619 0.955 3.060 1.00 34.53 H new ATOM 0 HG21 ILE A 99 23.466 0.869 6.796 1.00 13.11 H new ATOM 0 HG22 ILE A 99 22.283 -0.458 6.878 1.00 13.11 H new ATOM 0 HG23 ILE A 99 23.953 -0.785 6.358 1.00 13.11 H new ATOM 0 HD11 ILE A 99 25.159 2.577 4.053 1.00 33.44 H new ATOM 0 HD12 ILE A 99 23.493 2.884 4.598 1.00 33.44 H new ATOM 0 HD13 ILE A 99 24.651 2.080 5.685 1.00 33.44 H new ATOM 1531 N LEU A 100 21.232 -2.676 5.730 1.00 73.12 N ATOM 1532 CA LEU A 100 20.142 -3.235 6.529 1.00 13.03 C ATOM 1533 C LEU A 100 20.458 -3.116 8.017 1.00 44.22 C ATOM 1534 O LEU A 100 21.557 -3.476 8.459 1.00 11.41 O ATOM 1535 CB LEU A 100 19.874 -4.706 6.159 1.00 71.23 C ATOM 1536 CG LEU A 100 18.985 -4.937 4.919 1.00 12.40 C ATOM 1537 CD1 LEU A 100 19.635 -4.390 3.654 1.00 2.31 C ATOM 1538 CD2 LEU A 100 18.667 -6.422 4.758 1.00 54.42 C ATOM 0 H LEU A 100 22.127 -3.152 5.847 1.00 73.12 H new ATOM 0 HA LEU A 100 19.241 -2.662 6.311 1.00 13.03 H new ATOM 0 HB2 LEU A 100 20.832 -5.199 5.993 1.00 71.23 H new ATOM 0 HB3 LEU A 100 19.407 -5.196 7.013 1.00 71.23 H new ATOM 0 HG LEU A 100 18.053 -4.393 5.074 1.00 12.40 H new ATOM 0 HD11 LEU A 100 18.980 -4.571 2.801 1.00 2.31 H new ATOM 0 HD12 LEU A 100 19.800 -3.318 3.764 1.00 2.31 H new ATOM 0 HD13 LEU A 100 20.590 -4.889 3.490 1.00 2.31 H new ATOM 0 HD21 LEU A 100 18.039 -6.566 3.879 1.00 54.42 H new ATOM 0 HD22 LEU A 100 19.595 -6.982 4.638 1.00 54.42 H new ATOM 0 HD23 LEU A 100 18.140 -6.779 5.643 1.00 54.42 H new ATOM 1550 N MET A 101 19.493 -2.600 8.776 1.00 2.21 N ATOM 1551 CA MET A 101 19.639 -2.426 10.220 1.00 62.13 C ATOM 1552 C MET A 101 19.034 -3.619 10.963 1.00 54.12 C ATOM 1553 O MET A 101 17.814 -3.775 10.992 1.00 3.03 O ATOM 1554 CB MET A 101 18.940 -1.131 10.676 1.00 34.31 C ATOM 1555 CG MET A 101 19.499 0.142 10.050 1.00 13.34 C ATOM 1556 SD MET A 101 18.586 1.614 10.555 1.00 74.11 S ATOM 1557 CE MET A 101 18.848 1.612 12.324 1.00 41.34 C ATOM 0 H MET A 101 18.592 -2.292 8.410 1.00 2.21 H new ATOM 0 HA MET A 101 20.702 -2.361 10.451 1.00 62.13 H new ATOM 0 HB2 MET A 101 17.879 -1.202 10.438 1.00 34.31 H new ATOM 0 HB3 MET A 101 19.019 -1.053 11.760 1.00 34.31 H new ATOM 0 HG2 MET A 101 20.546 0.253 10.332 1.00 13.34 H new ATOM 0 HG3 MET A 101 19.469 0.053 8.964 1.00 13.34 H new ATOM 0 HE1 MET A 101 18.296 2.437 12.775 1.00 41.34 H new ATOM 0 HE2 MET A 101 18.497 0.669 12.743 1.00 41.34 H new ATOM 0 HE3 MET A 101 19.911 1.729 12.535 1.00 41.34 H new ATOM 1567 N PHE A 102 19.884 -4.460 11.547 1.00 65.43 N ATOM 1568 CA PHE A 102 19.426 -5.617 12.320 1.00 14.42 C ATOM 1569 C PHE A 102 19.698 -5.422 13.809 1.00 31.21 C ATOM 1570 O PHE A 102 20.678 -4.783 14.194 1.00 52.04 O ATOM 1571 CB PHE A 102 20.110 -6.906 11.839 1.00 30.42 C ATOM 1572 CG PHE A 102 19.598 -7.414 10.514 1.00 42.22 C ATOM 1573 CD1 PHE A 102 20.273 -7.134 9.334 1.00 74.43 C ATOM 1574 CD2 PHE A 102 18.439 -8.176 10.452 1.00 71.01 C ATOM 1575 CE1 PHE A 102 19.806 -7.605 8.123 1.00 43.50 C ATOM 1576 CE2 PHE A 102 17.967 -8.648 9.241 1.00 33.21 C ATOM 1577 CZ PHE A 102 18.651 -8.362 8.075 1.00 72.53 C ATOM 0 H PHE A 102 20.898 -4.363 11.501 1.00 65.43 H new ATOM 0 HA PHE A 102 18.351 -5.707 12.165 1.00 14.42 H new ATOM 0 HB2 PHE A 102 21.182 -6.728 11.758 1.00 30.42 H new ATOM 0 HB3 PHE A 102 19.971 -7.682 12.592 1.00 30.42 H new ATOM 0 HD1 PHE A 102 21.175 -6.540 9.363 1.00 74.43 H new ATOM 0 HD2 PHE A 102 17.900 -8.403 11.360 1.00 71.01 H new ATOM 0 HE1 PHE A 102 20.343 -7.382 7.213 1.00 43.50 H new ATOM 0 HE2 PHE A 102 17.064 -9.240 9.207 1.00 33.21 H new ATOM 0 HZ PHE A 102 18.284 -8.729 7.128 1.00 72.53 H new ATOM 1587 N LYS A 103 18.809 -5.968 14.635 1.00 25.22 N ATOM 1588 CA LYS A 103 18.987 -5.980 16.083 1.00 25.45 C ATOM 1589 C LYS A 103 18.238 -7.168 16.681 1.00 13.12 C ATOM 1590 O LYS A 103 17.005 -7.195 16.691 1.00 21.44 O ATOM 1591 CB LYS A 103 18.490 -4.661 16.703 1.00 1.24 C ATOM 1592 CG LYS A 103 18.666 -4.572 18.221 1.00 55.31 C ATOM 1593 CD LYS A 103 18.330 -3.175 18.751 1.00 32.15 C ATOM 1594 CE LYS A 103 16.867 -2.803 18.524 1.00 51.22 C ATOM 1595 NZ LYS A 103 15.950 -3.555 19.418 1.00 63.31 N1+ ATOM 0 H LYS A 103 17.947 -6.413 14.320 1.00 25.22 H new ATOM 0 HA LYS A 103 20.049 -6.078 16.308 1.00 25.45 H new ATOM 0 HB2 LYS A 103 19.023 -3.831 16.238 1.00 1.24 H new ATOM 0 HB3 LYS A 103 17.434 -4.536 16.464 1.00 1.24 H new ATOM 0 HG2 LYS A 103 18.025 -5.308 18.705 1.00 55.31 H new ATOM 0 HG3 LYS A 103 19.694 -4.823 18.483 1.00 55.31 H new ATOM 0 HD2 LYS A 103 18.552 -3.131 19.817 1.00 32.15 H new ATOM 0 HD3 LYS A 103 18.969 -2.440 18.261 1.00 32.15 H new ATOM 0 HE2 LYS A 103 16.736 -1.734 18.689 1.00 51.22 H new ATOM 0 HE3 LYS A 103 16.601 -3.000 17.485 1.00 51.22 H new ATOM 0 HZ1 LYS A 103 14.968 -3.269 19.228 1.00 63.31 H new ATOM 0 HZ2 LYS A 103 16.054 -4.575 19.243 1.00 63.31 H new ATOM 0 HZ3 LYS A 103 16.185 -3.348 20.410 1.00 63.31 H new ATOM 1609 N ASN A 104 18.994 -8.169 17.131 1.00 1.24 N ATOM 1610 CA ASN A 104 18.430 -9.355 17.789 1.00 2.11 C ATOM 1611 C ASN A 104 17.498 -10.109 16.828 1.00 42.42 C ATOM 1612 O ASN A 104 16.554 -10.776 17.248 1.00 22.31 O ATOM 1613 CB ASN A 104 17.683 -8.939 19.076 1.00 30.41 C ATOM 1614 CG ASN A 104 17.609 -10.035 20.140 1.00 54.41 C ATOM 1615 OD1 ASN A 104 17.475 -11.289 19.733 1.00 65.24 O flip ATOM 1616 ND2 ASN A 104 17.655 -9.742 21.335 1.00 41.12 N flip ATOM 0 H ASN A 104 20.011 -8.184 17.052 1.00 1.24 H new ATOM 0 HA ASN A 104 19.241 -10.028 18.065 1.00 2.11 H new ATOM 0 HB2 ASN A 104 18.177 -8.066 19.503 1.00 30.41 H new ATOM 0 HB3 ASN A 104 16.670 -8.635 18.813 1.00 30.41 H new ATOM 0 HD21 ASN A 104 17.759 -8.767 21.618 1.00 41.12 H new ATOM 0 HD22 ASN A 104 17.589 -10.474 22.042 1.00 41.12 H new ATOM 1623 N GLY A 105 17.792 -10.017 15.531 1.00 43.21 N ATOM 1624 CA GLY A 105 16.993 -10.705 14.524 1.00 53.51 C ATOM 1625 C GLY A 105 15.859 -9.852 13.993 1.00 12.33 C ATOM 1626 O GLY A 105 15.216 -10.213 13.006 1.00 20.32 O ATOM 0 H GLY A 105 18.572 -9.476 15.158 1.00 43.21 H new ATOM 0 HA2 GLY A 105 17.637 -11.002 13.696 1.00 53.51 H new ATOM 0 HA3 GLY A 105 16.584 -11.619 14.954 1.00 53.51 H new ATOM 1630 N LYS A 106 15.610 -8.724 14.645 1.00 31.14 N ATOM 1631 CA LYS A 106 14.584 -7.795 14.200 1.00 2.24 C ATOM 1632 C LYS A 106 15.217 -6.689 13.369 1.00 12.50 C ATOM 1633 O LYS A 106 16.089 -5.968 13.856 1.00 24.13 O ATOM 1634 CB LYS A 106 13.854 -7.195 15.406 1.00 24.41 C ATOM 1635 CG LYS A 106 12.723 -6.249 15.022 1.00 45.15 C ATOM 1636 CD LYS A 106 11.993 -5.706 16.245 1.00 42.35 C ATOM 1637 CE LYS A 106 10.819 -4.824 15.843 1.00 51.24 C ATOM 1638 NZ LYS A 106 9.864 -5.539 14.955 1.00 32.34 N1+ ATOM 0 H LYS A 106 16.107 -8.431 15.486 1.00 31.14 H new ATOM 0 HA LYS A 106 13.861 -8.333 13.587 1.00 2.24 H new ATOM 0 HB2 LYS A 106 13.450 -8.003 16.015 1.00 24.41 H new ATOM 0 HB3 LYS A 106 14.572 -6.658 16.025 1.00 24.41 H new ATOM 0 HG2 LYS A 106 13.126 -5.419 14.442 1.00 45.15 H new ATOM 0 HG3 LYS A 106 12.015 -6.772 14.380 1.00 45.15 H new ATOM 0 HD2 LYS A 106 11.635 -6.535 16.855 1.00 42.35 H new ATOM 0 HD3 LYS A 106 12.687 -5.133 16.861 1.00 42.35 H new ATOM 0 HE2 LYS A 106 10.297 -4.484 16.738 1.00 51.24 H new ATOM 0 HE3 LYS A 106 11.191 -3.935 15.334 1.00 51.24 H new ATOM 0 HZ1 LYS A 106 8.970 -5.010 14.910 1.00 32.34 H new ATOM 0 HZ2 LYS A 106 10.269 -5.617 14.000 1.00 32.34 H new ATOM 0 HZ3 LYS A 106 9.684 -6.491 15.333 1.00 32.34 H new ATOM 1652 N LYS A 107 14.803 -6.574 12.113 1.00 1.15 N ATOM 1653 CA LYS A 107 15.309 -5.515 11.250 1.00 21.01 C ATOM 1654 C LYS A 107 14.504 -4.235 11.486 1.00 22.34 C ATOM 1655 O LYS A 107 13.270 -4.254 11.476 1.00 13.24 O ATOM 1656 CB LYS A 107 15.289 -5.953 9.767 1.00 4.51 C ATOM 1657 CG LYS A 107 13.900 -6.193 9.164 1.00 31.33 C ATOM 1658 CD LYS A 107 13.345 -4.944 8.474 1.00 32.52 C ATOM 1659 CE LYS A 107 11.978 -5.198 7.849 1.00 45.12 C ATOM 1660 NZ LYS A 107 11.436 -3.983 7.181 1.00 3.24 N1+ ATOM 0 H LYS A 107 14.124 -7.195 11.673 1.00 1.15 H new ATOM 0 HA LYS A 107 16.350 -5.311 11.499 1.00 21.01 H new ATOM 0 HB2 LYS A 107 15.795 -5.190 9.175 1.00 4.51 H new ATOM 0 HB3 LYS A 107 15.870 -6.870 9.670 1.00 4.51 H new ATOM 0 HG2 LYS A 107 13.955 -7.010 8.444 1.00 31.33 H new ATOM 0 HG3 LYS A 107 13.214 -6.507 9.951 1.00 31.33 H new ATOM 0 HD2 LYS A 107 13.268 -4.133 9.199 1.00 32.52 H new ATOM 0 HD3 LYS A 107 14.041 -4.616 7.702 1.00 32.52 H new ATOM 0 HE2 LYS A 107 12.056 -6.007 7.122 1.00 45.12 H new ATOM 0 HE3 LYS A 107 11.282 -5.528 8.620 1.00 45.12 H new ATOM 0 HZ1 LYS A 107 10.521 -4.208 6.740 1.00 3.24 H new ATOM 0 HZ2 LYS A 107 11.305 -3.229 7.885 1.00 3.24 H new ATOM 0 HZ3 LYS A 107 12.103 -3.662 6.450 1.00 3.24 H new ATOM 1674 N LEU A 108 15.206 -3.136 11.739 1.00 65.42 N ATOM 1675 CA LEU A 108 14.566 -1.862 12.053 1.00 72.55 C ATOM 1676 C LEU A 108 14.265 -1.087 10.778 1.00 35.35 C ATOM 1677 O LEU A 108 13.155 -0.586 10.587 1.00 3.32 O ATOM 1678 CB LEU A 108 15.457 -1.009 12.977 1.00 63.20 C ATOM 1679 CG LEU A 108 15.800 -1.623 14.351 1.00 51.42 C ATOM 1680 CD1 LEU A 108 14.538 -2.091 15.073 1.00 31.51 C ATOM 1681 CD2 LEU A 108 16.809 -2.761 14.216 1.00 21.12 C ATOM 0 H LEU A 108 16.225 -3.101 11.733 1.00 65.42 H new ATOM 0 HA LEU A 108 13.631 -2.079 12.570 1.00 72.55 H new ATOM 0 HB2 LEU A 108 16.390 -0.798 12.454 1.00 63.20 H new ATOM 0 HB3 LEU A 108 14.961 -0.053 13.143 1.00 63.20 H new ATOM 0 HG LEU A 108 16.263 -0.842 14.955 1.00 51.42 H new ATOM 0 HD11 LEU A 108 14.809 -2.519 16.038 1.00 31.51 H new ATOM 0 HD12 LEU A 108 13.871 -1.243 15.227 1.00 31.51 H new ATOM 0 HD13 LEU A 108 14.033 -2.845 14.470 1.00 31.51 H new ATOM 0 HD21 LEU A 108 17.029 -3.171 15.202 1.00 21.12 H new ATOM 0 HD22 LEU A 108 16.392 -3.544 13.582 1.00 21.12 H new ATOM 0 HD23 LEU A 108 17.727 -2.382 13.768 1.00 21.12 H new ATOM 1693 N SER A 109 15.257 -1.009 9.900 1.00 35.01 N ATOM 1694 CA SER A 109 15.145 -0.216 8.686 1.00 51.33 C ATOM 1695 C SER A 109 16.172 -0.667 7.651 1.00 15.23 C ATOM 1696 O SER A 109 17.047 -1.495 7.943 1.00 74.54 O ATOM 1697 CB SER A 109 15.321 1.269 9.008 1.00 2.34 C ATOM 1698 OG SER A 109 15.074 2.076 7.867 1.00 22.32 O ATOM 0 H SER A 109 16.151 -1.488 10.008 1.00 35.01 H new ATOM 0 HA SER A 109 14.151 -0.365 8.264 1.00 51.33 H new ATOM 0 HB2 SER A 109 14.641 1.552 9.811 1.00 2.34 H new ATOM 0 HB3 SER A 109 16.333 1.447 9.370 1.00 2.34 H new ATOM 0 HG SER A 109 14.238 2.572 7.992 1.00 22.32 H new ATOM 1704 N GLN A 110 16.049 -0.126 6.442 1.00 25.24 N ATOM 1705 CA GLN A 110 16.891 -0.517 5.320 1.00 61.42 C ATOM 1706 C GLN A 110 17.107 0.661 4.361 1.00 23.45 C ATOM 1707 O GLN A 110 16.156 1.344 3.968 1.00 60.52 O ATOM 1708 CB GLN A 110 16.247 -1.715 4.601 1.00 41.22 C ATOM 1709 CG GLN A 110 14.826 -1.447 4.092 1.00 73.01 C ATOM 1710 CD GLN A 110 13.914 -2.663 4.184 1.00 72.02 C ATOM 1711 OE1 GLN A 110 14.053 -3.496 5.082 1.00 70.22 O ATOM 1712 NE2 GLN A 110 12.972 -2.773 3.262 1.00 75.32 N ATOM 0 H GLN A 110 15.364 0.594 6.215 1.00 25.24 H new ATOM 0 HA GLN A 110 17.873 -0.813 5.689 1.00 61.42 H new ATOM 0 HB2 GLN A 110 16.876 -2.000 3.758 1.00 41.22 H new ATOM 0 HB3 GLN A 110 16.223 -2.565 5.283 1.00 41.22 H new ATOM 0 HG2 GLN A 110 14.390 -0.630 4.667 1.00 73.01 H new ATOM 0 HG3 GLN A 110 14.875 -1.116 3.055 1.00 73.01 H new ATOM 0 HE21 GLN A 110 12.886 -2.064 2.533 1.00 75.32 H new ATOM 0 HE22 GLN A 110 12.331 -3.566 3.280 1.00 75.32 H new ATOM 1721 N VAL A 111 18.367 0.914 4.023 1.00 64.25 N ATOM 1722 CA VAL A 111 18.747 1.973 3.092 1.00 3.24 C ATOM 1723 C VAL A 111 18.936 1.396 1.691 1.00 24.33 C ATOM 1724 O VAL A 111 19.867 0.625 1.461 1.00 55.52 O ATOM 1725 CB VAL A 111 20.073 2.647 3.531 1.00 61.41 C ATOM 1726 CG1 VAL A 111 20.389 3.877 2.672 1.00 34.42 C ATOM 1727 CG2 VAL A 111 20.029 2.996 5.017 1.00 25.03 C ATOM 0 H VAL A 111 19.160 0.387 4.389 1.00 64.25 H new ATOM 0 HA VAL A 111 17.949 2.715 3.089 1.00 3.24 H new ATOM 0 HB VAL A 111 20.883 1.934 3.376 1.00 61.41 H new ATOM 0 HG11 VAL A 111 21.325 4.324 3.007 1.00 34.42 H new ATOM 0 HG12 VAL A 111 20.484 3.577 1.628 1.00 34.42 H new ATOM 0 HG13 VAL A 111 19.584 4.605 2.769 1.00 34.42 H new ATOM 0 HG21 VAL A 111 20.967 3.468 5.308 1.00 25.03 H new ATOM 0 HG22 VAL A 111 19.204 3.683 5.205 1.00 25.03 H new ATOM 0 HG23 VAL A 111 19.884 2.087 5.600 1.00 25.03 H new ATOM 1737 N ILE A 112 18.052 1.747 0.766 1.00 32.40 N ATOM 1738 CA ILE A 112 18.174 1.294 -0.620 1.00 75.11 C ATOM 1739 C ILE A 112 18.606 2.459 -1.511 1.00 11.20 C ATOM 1740 O ILE A 112 17.816 3.364 -1.792 1.00 4.23 O ATOM 1741 CB ILE A 112 16.840 0.697 -1.145 1.00 2.44 C ATOM 1742 CG1 ILE A 112 16.361 -0.435 -0.217 1.00 3.54 C ATOM 1743 CG2 ILE A 112 17.006 0.187 -2.579 1.00 24.42 C ATOM 1744 CD1 ILE A 112 15.030 -1.042 -0.617 1.00 72.21 C ATOM 0 H ILE A 112 17.244 2.342 0.946 1.00 32.40 H new ATOM 0 HA ILE A 112 18.929 0.508 -0.650 1.00 75.11 H new ATOM 0 HB ILE A 112 16.085 1.483 -1.150 1.00 2.44 H new ATOM 0 HG12 ILE A 112 17.116 -1.221 -0.200 1.00 3.54 H new ATOM 0 HG13 ILE A 112 16.281 -0.048 0.799 1.00 3.54 H new ATOM 0 HG21 ILE A 112 16.061 -0.228 -2.929 1.00 24.42 H new ATOM 0 HG22 ILE A 112 17.303 1.012 -3.227 1.00 24.42 H new ATOM 0 HG23 ILE A 112 17.773 -0.587 -2.603 1.00 24.42 H new ATOM 0 HD11 ILE A 112 14.764 -1.831 0.086 1.00 72.21 H new ATOM 0 HD12 ILE A 112 14.260 -0.271 -0.605 1.00 72.21 H new ATOM 0 HD13 ILE A 112 15.108 -1.461 -1.620 1.00 72.21 H new ATOM 1756 N GLY A 113 19.863 2.433 -1.945 1.00 22.01 N ATOM 1757 CA GLY A 113 20.413 3.522 -2.735 1.00 51.03 C ATOM 1758 C GLY A 113 21.363 4.375 -1.916 1.00 65.23 C ATOM 1759 O GLY A 113 22.434 3.909 -1.523 1.00 74.41 O ATOM 0 H GLY A 113 20.516 1.671 -1.762 1.00 22.01 H new ATOM 0 HA2 GLY A 113 20.939 3.117 -3.600 1.00 51.03 H new ATOM 0 HA3 GLY A 113 19.602 4.142 -3.117 1.00 51.03 H new ATOM 1763 N ALA A 114 20.976 5.620 -1.648 1.00 55.14 N ATOM 1764 CA ALA A 114 21.785 6.520 -0.830 1.00 60.15 C ATOM 1765 C ALA A 114 20.920 7.624 -0.226 1.00 13.40 C ATOM 1766 O ALA A 114 21.184 8.818 -0.403 1.00 4.53 O ATOM 1767 CB ALA A 114 22.917 7.111 -1.669 1.00 71.33 C ATOM 0 H ALA A 114 20.105 6.029 -1.986 1.00 55.14 H new ATOM 0 HA ALA A 114 22.222 5.952 -0.009 1.00 60.15 H new ATOM 0 HB1 ALA A 114 23.516 7.781 -1.052 1.00 71.33 H new ATOM 0 HB2 ALA A 114 23.547 6.306 -2.048 1.00 71.33 H new ATOM 0 HB3 ALA A 114 22.497 7.668 -2.507 1.00 71.33 H new ATOM 1773 N ASP A 115 19.897 7.216 0.516 1.00 2.01 N ATOM 1774 CA ASP A 115 18.969 8.155 1.142 1.00 2.41 C ATOM 1775 C ASP A 115 19.514 8.634 2.485 1.00 2.03 C ATOM 1776 O ASP A 115 19.060 8.191 3.540 1.00 11.01 O ATOM 1777 CB ASP A 115 17.589 7.503 1.337 1.00 24.00 C ATOM 1778 CG ASP A 115 16.903 7.147 0.026 1.00 35.04 C ATOM 1779 OD1 ASP A 115 15.912 7.817 -0.338 1.00 62.44 O ATOM 1780 OD2 ASP A 115 17.350 6.197 -0.647 1.00 1.24 O1- ATOM 0 H ASP A 115 19.687 6.235 0.701 1.00 2.01 H new ATOM 0 HA ASP A 115 18.860 9.015 0.481 1.00 2.41 H new ATOM 0 HB2 ASP A 115 17.703 6.600 1.937 1.00 24.00 H new ATOM 0 HB3 ASP A 115 16.950 8.182 1.901 1.00 24.00 H new ATOM 1785 N ILE A 116 20.500 9.532 2.437 1.00 1.14 N ATOM 1786 CA ILE A 116 21.137 10.067 3.650 1.00 51.40 C ATOM 1787 C ILE A 116 20.091 10.619 4.634 1.00 22.21 C ATOM 1788 O ILE A 116 20.170 10.380 5.846 1.00 73.12 O ATOM 1789 CB ILE A 116 22.176 11.172 3.295 1.00 32.34 C ATOM 1790 CG1 ILE A 116 22.794 11.799 4.560 1.00 63.51 C ATOM 1791 CG2 ILE A 116 21.542 12.249 2.420 1.00 22.30 C ATOM 1792 CD1 ILE A 116 23.669 10.853 5.359 1.00 43.01 C ATOM 0 H ILE A 116 20.879 9.908 1.568 1.00 1.14 H new ATOM 0 HA ILE A 116 21.659 9.242 4.134 1.00 51.40 H new ATOM 0 HB ILE A 116 22.980 10.696 2.734 1.00 32.34 H new ATOM 0 HG12 ILE A 116 23.387 12.666 4.269 1.00 63.51 H new ATOM 0 HG13 ILE A 116 21.991 12.162 5.201 1.00 63.51 H new ATOM 0 HG21 ILE A 116 22.285 13.010 2.184 1.00 22.30 H new ATOM 0 HG22 ILE A 116 21.177 11.799 1.496 1.00 22.30 H new ATOM 0 HG23 ILE A 116 20.709 12.708 2.953 1.00 22.30 H new ATOM 0 HD11 ILE A 116 24.064 11.373 6.232 1.00 43.01 H new ATOM 0 HD12 ILE A 116 23.078 9.997 5.683 1.00 43.01 H new ATOM 0 HD13 ILE A 116 24.495 10.509 4.737 1.00 43.01 H new ATOM 1804 N SER A 117 19.098 11.323 4.100 1.00 12.33 N ATOM 1805 CA SER A 117 18.031 11.900 4.911 1.00 11.20 C ATOM 1806 C SER A 117 17.234 10.808 5.630 1.00 52.01 C ATOM 1807 O SER A 117 16.707 11.026 6.721 1.00 71.15 O ATOM 1808 CB SER A 117 17.122 12.754 4.021 1.00 2.31 C ATOM 1809 OG SER A 117 16.933 12.138 2.754 1.00 64.34 O ATOM 0 H SER A 117 19.010 11.509 3.101 1.00 12.33 H new ATOM 0 HA SER A 117 18.472 12.535 5.680 1.00 11.20 H new ATOM 0 HB2 SER A 117 16.158 12.896 4.509 1.00 2.31 H new ATOM 0 HB3 SER A 117 17.561 13.743 3.888 1.00 2.31 H new ATOM 0 HG SER A 117 16.349 12.698 2.202 1.00 64.34 H new ATOM 1815 N LYS A 118 17.166 9.628 5.018 1.00 70.20 N ATOM 1816 CA LYS A 118 16.461 8.496 5.612 1.00 41.12 C ATOM 1817 C LYS A 118 17.350 7.847 6.677 1.00 64.21 C ATOM 1818 O LYS A 118 16.884 7.532 7.773 1.00 24.22 O ATOM 1819 CB LYS A 118 16.062 7.473 4.518 1.00 44.23 C ATOM 1820 CG LYS A 118 14.686 6.828 4.722 1.00 71.04 C ATOM 1821 CD LYS A 118 14.653 5.827 5.883 1.00 10.32 C ATOM 1822 CE LYS A 118 14.738 4.375 5.409 1.00 40.44 C ATOM 1823 NZ LYS A 118 15.996 4.080 4.672 1.00 34.52 N1+ ATOM 0 H LYS A 118 17.590 9.431 4.112 1.00 70.20 H new ATOM 0 HA LYS A 118 15.545 8.847 6.087 1.00 41.12 H new ATOM 0 HB2 LYS A 118 16.075 7.973 3.549 1.00 44.23 H new ATOM 0 HB3 LYS A 118 16.816 6.687 4.481 1.00 44.23 H new ATOM 0 HG2 LYS A 118 13.949 7.610 4.904 1.00 71.04 H new ATOM 0 HG3 LYS A 118 14.391 6.320 3.804 1.00 71.04 H new ATOM 0 HD2 LYS A 118 15.482 6.034 6.560 1.00 10.32 H new ATOM 0 HD3 LYS A 118 13.734 5.966 6.452 1.00 10.32 H new ATOM 0 HE2 LYS A 118 14.664 3.712 6.271 1.00 40.44 H new ATOM 0 HE3 LYS A 118 13.886 4.158 4.765 1.00 40.44 H new ATOM 0 HZ1 LYS A 118 16.007 3.079 4.390 1.00 34.52 H new ATOM 0 HZ2 LYS A 118 16.050 4.679 3.824 1.00 34.52 H new ATOM 0 HZ3 LYS A 118 16.812 4.275 5.286 1.00 34.52 H new ATOM 1837 N ILE A 119 18.644 7.709 6.366 1.00 25.11 N ATOM 1838 CA ILE A 119 19.573 7.003 7.251 1.00 13.02 C ATOM 1839 C ILE A 119 19.729 7.738 8.578 1.00 22.40 C ATOM 1840 O ILE A 119 19.724 7.119 9.642 1.00 50.22 O ATOM 1841 CB ILE A 119 20.968 6.761 6.594 1.00 61.20 C ATOM 1842 CG1 ILE A 119 21.861 8.017 6.626 1.00 50.52 C ATOM 1843 CG2 ILE A 119 20.797 6.281 5.160 1.00 71.22 C ATOM 1844 CD1 ILE A 119 22.846 8.049 7.777 1.00 14.11 C ATOM 0 H ILE A 119 19.068 8.075 5.514 1.00 25.11 H new ATOM 0 HA ILE A 119 19.135 6.023 7.439 1.00 13.02 H new ATOM 0 HB ILE A 119 21.469 5.992 7.182 1.00 61.20 H new ATOM 0 HG12 ILE A 119 22.413 8.081 5.688 1.00 50.52 H new ATOM 0 HG13 ILE A 119 21.225 8.900 6.682 1.00 50.52 H new ATOM 0 HG21 ILE A 119 21.777 6.116 4.712 1.00 71.22 H new ATOM 0 HG22 ILE A 119 20.233 5.348 5.153 1.00 71.22 H new ATOM 0 HG23 ILE A 119 20.258 7.035 4.586 1.00 71.22 H new ATOM 0 HD11 ILE A 119 23.435 8.965 7.726 1.00 14.11 H new ATOM 0 HD12 ILE A 119 22.303 8.019 8.722 1.00 14.11 H new ATOM 0 HD13 ILE A 119 23.509 7.187 7.712 1.00 14.11 H new ATOM 1856 N ILE A 120 19.852 9.065 8.520 1.00 42.30 N ATOM 1857 CA ILE A 120 20.003 9.851 9.739 1.00 75.31 C ATOM 1858 C ILE A 120 18.756 9.724 10.612 1.00 21.33 C ATOM 1859 O ILE A 120 18.839 9.750 11.838 1.00 42.51 O ATOM 1860 CB ILE A 120 20.339 11.345 9.443 1.00 43.40 C ATOM 1861 CG1 ILE A 120 19.305 12.003 8.503 1.00 64.10 C ATOM 1862 CG2 ILE A 120 21.743 11.460 8.852 1.00 23.12 C ATOM 1863 CD1 ILE A 120 18.082 12.563 9.204 1.00 14.44 C ATOM 0 H ILE A 120 19.850 9.608 7.656 1.00 42.30 H new ATOM 0 HA ILE A 120 20.853 9.446 10.287 1.00 75.31 H new ATOM 0 HB ILE A 120 20.299 11.882 10.391 1.00 43.40 H new ATOM 0 HG12 ILE A 120 19.793 12.808 7.954 1.00 64.10 H new ATOM 0 HG13 ILE A 120 18.981 11.266 7.768 1.00 64.10 H new ATOM 0 HG21 ILE A 120 21.968 12.507 8.649 1.00 23.12 H new ATOM 0 HG22 ILE A 120 22.470 11.064 9.561 1.00 23.12 H new ATOM 0 HG23 ILE A 120 21.795 10.891 7.924 1.00 23.12 H new ATOM 0 HD11 ILE A 120 17.411 13.005 8.468 1.00 14.44 H new ATOM 0 HD12 ILE A 120 17.565 11.761 9.730 1.00 14.44 H new ATOM 0 HD13 ILE A 120 18.390 13.326 9.919 1.00 14.44 H new ATOM 1875 N SER A 121 17.605 9.568 9.966 1.00 1.22 N ATOM 1876 CA SER A 121 16.346 9.386 10.674 1.00 62.24 C ATOM 1877 C SER A 121 16.280 8.005 11.335 1.00 54.44 C ATOM 1878 O SER A 121 16.039 7.898 12.535 1.00 1.30 O ATOM 1879 CB SER A 121 15.166 9.577 9.712 1.00 43.55 C ATOM 1880 OG SER A 121 15.204 10.865 9.112 1.00 12.24 O ATOM 0 H SER A 121 17.520 9.564 8.950 1.00 1.22 H new ATOM 0 HA SER A 121 16.285 10.138 11.461 1.00 62.24 H new ATOM 0 HB2 SER A 121 15.195 8.810 8.938 1.00 43.55 H new ATOM 0 HB3 SER A 121 14.227 9.450 10.252 1.00 43.55 H new ATOM 0 HG SER A 121 15.744 10.830 8.295 1.00 12.24 H new ATOM 1886 N GLU A 122 16.545 6.958 10.554 1.00 41.24 N ATOM 1887 CA GLU A 122 16.341 5.581 11.001 1.00 4.03 C ATOM 1888 C GLU A 122 17.348 5.189 12.081 1.00 72.25 C ATOM 1889 O GLU A 122 16.987 4.538 13.065 1.00 74.32 O ATOM 1890 CB GLU A 122 16.417 4.620 9.801 1.00 11.25 C ATOM 1891 CG GLU A 122 17.780 4.586 9.108 1.00 55.04 C ATOM 1892 CD GLU A 122 17.743 3.899 7.747 1.00 45.45 C ATOM 1893 OE1 GLU A 122 17.840 2.658 7.688 1.00 31.02 O ATOM 1894 OE2 GLU A 122 17.600 4.602 6.728 1.00 44.13 O1- ATOM 0 H GLU A 122 16.904 7.039 9.603 1.00 41.24 H new ATOM 0 HA GLU A 122 15.348 5.510 11.444 1.00 4.03 H new ATOM 0 HB2 GLU A 122 16.169 3.614 10.140 1.00 11.25 H new ATOM 0 HB3 GLU A 122 15.659 4.907 9.072 1.00 11.25 H new ATOM 0 HG2 GLU A 122 18.143 5.606 8.983 1.00 55.04 H new ATOM 0 HG3 GLU A 122 18.494 4.070 9.749 1.00 55.04 H new ATOM 1901 N ILE A 123 18.603 5.597 11.911 1.00 5.44 N ATOM 1902 CA ILE A 123 19.643 5.287 12.886 1.00 20.54 C ATOM 1903 C ILE A 123 19.378 6.021 14.199 1.00 64.33 C ATOM 1904 O ILE A 123 19.215 5.392 15.246 1.00 13.41 O ATOM 1905 CB ILE A 123 21.052 5.643 12.350 1.00 51.23 C ATOM 1906 CG1 ILE A 123 21.368 4.801 11.100 1.00 22.22 C ATOM 1907 CG2 ILE A 123 22.114 5.428 13.432 1.00 72.53 C ATOM 1908 CD1 ILE A 123 22.712 5.109 10.470 1.00 41.00 C ATOM 0 H ILE A 123 18.923 6.141 11.110 1.00 5.44 H new ATOM 0 HA ILE A 123 19.616 4.212 13.066 1.00 20.54 H new ATOM 0 HB ILE A 123 21.065 6.697 12.073 1.00 51.23 H new ATOM 0 HG12 ILE A 123 21.338 3.745 11.369 1.00 22.22 H new ATOM 0 HG13 ILE A 123 20.586 4.963 10.359 1.00 22.22 H new ATOM 0 HG21 ILE A 123 23.096 5.684 13.034 1.00 72.53 H new ATOM 0 HG22 ILE A 123 21.893 6.063 14.290 1.00 72.53 H new ATOM 0 HG23 ILE A 123 22.110 4.383 13.743 1.00 72.53 H new ATOM 0 HD11 ILE A 123 22.858 4.474 9.596 1.00 41.00 H new ATOM 0 HD12 ILE A 123 22.741 6.156 10.167 1.00 41.00 H new ATOM 0 HD13 ILE A 123 23.505 4.919 11.193 1.00 41.00 H new ATOM 1920 N ASN A 124 19.291 7.349 14.130 1.00 72.01 N ATOM 1921 CA ASN A 124 19.054 8.177 15.320 1.00 64.52 C ATOM 1922 C ASN A 124 17.731 7.803 15.989 1.00 52.12 C ATOM 1923 O ASN A 124 17.536 8.038 17.180 1.00 15.15 O ATOM 1924 CB ASN A 124 19.052 9.671 14.954 1.00 15.21 C ATOM 1925 CG ASN A 124 20.426 10.184 14.548 1.00 11.30 C ATOM 1926 OD1 ASN A 124 21.449 9.743 15.069 1.00 11.11 O ATOM 1927 ND2 ASN A 124 20.460 11.110 13.602 1.00 34.31 N ATOM 0 H ASN A 124 19.381 7.878 13.263 1.00 72.01 H new ATOM 0 HA ASN A 124 19.866 7.989 16.023 1.00 64.52 H new ATOM 0 HB2 ASN A 124 18.351 9.838 14.136 1.00 15.21 H new ATOM 0 HB3 ASN A 124 18.692 10.248 15.806 1.00 15.21 H new ATOM 0 HD21 ASN A 124 21.355 11.481 13.283 1.00 34.31 H new ATOM 0 HD22 ASN A 124 19.591 11.453 13.192 1.00 34.31 H new ATOM 1934 N ASN A 125 16.830 7.217 15.208 1.00 0.24 N ATOM 1935 CA ASN A 125 15.528 6.775 15.708 1.00 50.24 C ATOM 1936 C ASN A 125 15.673 5.612 16.688 1.00 60.23 C ATOM 1937 O ASN A 125 14.856 5.446 17.598 1.00 53.12 O ATOM 1938 CB ASN A 125 14.639 6.357 14.526 1.00 21.42 C ATOM 1939 CG ASN A 125 13.296 5.794 14.947 1.00 2.14 C ATOM 1940 OD1 ASN A 125 13.231 4.485 15.121 1.00 52.11 O flip ATOM 1941 ND2 ASN A 125 12.323 6.529 15.102 1.00 51.12 N flip ATOM 0 H ASN A 125 16.978 7.035 14.215 1.00 0.24 H new ATOM 0 HA ASN A 125 15.066 7.606 16.241 1.00 50.24 H new ATOM 0 HB2 ASN A 125 14.476 7.221 13.882 1.00 21.42 H new ATOM 0 HB3 ASN A 125 15.166 5.611 13.931 1.00 21.42 H new ATOM 0 HD21 ASN A 125 12.415 7.535 14.958 1.00 51.12 H new ATOM 0 HD22 ASN A 125 11.423 6.133 15.375 1.00 51.12 H new ATOM 1948 N ASN A 126 16.720 4.813 16.503 1.00 52.11 N ATOM 1949 CA ASN A 126 16.912 3.595 17.293 1.00 71.15 C ATOM 1950 C ASN A 126 18.116 3.701 18.235 1.00 45.12 C ATOM 1951 O ASN A 126 18.398 2.763 18.981 1.00 25.42 O ATOM 1952 CB ASN A 126 17.073 2.377 16.367 1.00 1.13 C ATOM 1953 CG ASN A 126 15.787 2.009 15.639 1.00 73.11 C ATOM 1954 OD1 ASN A 126 14.970 1.243 16.148 1.00 34.32 O ATOM 1955 ND2 ASN A 126 15.597 2.541 14.438 1.00 65.55 N ATOM 0 H ASN A 126 17.451 4.985 15.813 1.00 52.11 H new ATOM 0 HA ASN A 126 16.023 3.467 17.910 1.00 71.15 H new ATOM 0 HB2 ASN A 126 17.852 2.585 15.634 1.00 1.13 H new ATOM 0 HB3 ASN A 126 17.409 1.523 16.955 1.00 1.13 H new ATOM 0 HD21 ASN A 126 14.754 2.318 13.909 1.00 65.55 H new ATOM 0 HD22 ASN A 126 16.294 3.173 14.044 1.00 65.55 H new ATOM 1962 N ILE A 127 18.827 4.832 18.204 1.00 24.22 N ATOM 1963 CA ILE A 127 19.964 5.050 19.107 1.00 31.24 C ATOM 1964 C ILE A 127 19.883 6.414 19.779 1.00 71.04 C ATOM 1965 O ILE A 127 19.081 7.269 19.396 1.00 13.31 O ATOM 1966 CB ILE A 127 21.342 4.928 18.405 1.00 44.43 C ATOM 1967 CG1 ILE A 127 21.498 5.980 17.300 1.00 53.14 C ATOM 1968 CG2 ILE A 127 21.539 3.527 17.839 1.00 2.03 C ATOM 1969 CD1 ILE A 127 22.900 6.068 16.742 1.00 21.45 C ATOM 0 H ILE A 127 18.638 5.607 17.568 1.00 24.22 H new ATOM 0 HA ILE A 127 19.892 4.256 19.850 1.00 31.24 H new ATOM 0 HB ILE A 127 22.112 5.109 19.154 1.00 44.43 H new ATOM 0 HG12 ILE A 127 20.807 5.748 16.489 1.00 53.14 H new ATOM 0 HG13 ILE A 127 21.211 6.955 17.695 1.00 53.14 H new ATOM 0 HG21 ILE A 127 22.512 3.465 17.351 1.00 2.03 H new ATOM 0 HG22 ILE A 127 21.491 2.798 18.648 1.00 2.03 H new ATOM 0 HG23 ILE A 127 20.755 3.315 17.112 1.00 2.03 H new ATOM 0 HD11 ILE A 127 22.935 6.832 15.965 1.00 21.45 H new ATOM 0 HD12 ILE A 127 23.594 6.330 17.541 1.00 21.45 H new ATOM 0 HD13 ILE A 127 23.183 5.105 16.317 1.00 21.45 H new ATOM 1981 N ASN A 128 20.727 6.597 20.783 1.00 31.31 N ATOM 1982 CA ASN A 128 20.760 7.825 21.567 1.00 11.20 C ATOM 1983 C ASN A 128 21.348 8.975 20.739 1.00 3.50 C ATOM 1984 O ASN A 128 20.754 10.075 20.735 1.00 11.02 O ATOM 1985 CB ASN A 128 21.561 7.612 22.865 1.00 74.44 C ATOM 1986 CG ASN A 128 23.054 7.403 22.639 1.00 51.35 C ATOM 1987 OD1 ASN A 128 23.453 6.174 22.344 1.00 31.03 O flip ATOM 1988 ND2 ASN A 128 23.845 8.343 22.723 1.00 33.10 N flip ATOM 1989 OXT ASN A 128 22.375 8.764 20.062 1.00 0.00 O1- ATOM 0 H ASN A 128 21.409 5.899 21.078 1.00 31.31 H new ATOM 0 HA ASN A 128 19.739 8.093 21.839 1.00 11.20 H new ATOM 0 HB2 ASN A 128 21.419 8.476 23.515 1.00 74.44 H new ATOM 0 HB3 ASN A 128 21.158 6.747 23.392 1.00 74.44 H new ATOM 0 HD21 ASN A 128 23.505 9.277 22.952 1.00 33.10 H new ATOM 0 HD22 ASN A 128 24.840 8.188 22.564 1.00 33.10 H new TER 1996 ASN A 128