USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 55 LYS NZ :NH3+ -178:sc= 1.28 (180deg=-0.0186) USER MOD Set 1.2: A 169 SER OG : rot 120:sc= 1.02 USER MOD Set 2.1: A 14 MET CE :methyl -147:sc= -7.43! (180deg=-5.94!) USER MOD Set 2.2: A 102 HIS : no HE2:sc= -6.67! C(o=-14!,f=-19!) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0.317 USER MOD Set 3.2: A 43 GLN : amide:sc= -2.5! K(o=-2.2!,f=-0.61) USER MOD Set 4.1: A 31 SER OG : rot 130:sc= 0.612 USER MOD Set 4.2: A 32 LYS NZ :NH3+ 175:sc= 2.51 (180deg=1.22) USER MOD Set 5.1: A 21 LYS NZ :NH3+ -136:sc= 0.381 (180deg=-0.023) USER MOD Set 5.2: A 95 GLN : amide:sc= -1.85 K(o=-1.5,f=-3.2!) USER MOD Set 6.1: A 16 HIS : no HD1:sc= -7.19! C(o=-16!,f=-16!) USER MOD Set 6.2: A 19 HIS : no HD1:sc= -5.1! C(o=-16!,f=-29!) USER MOD Set 6.3: A 96 THR OG1 : rot -29:sc= -3.23! USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0843 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0251 X(o=-0.025,f=-0.018) USER MOD Single : A 4 MET CE :methyl -162:sc= -0.116 (180deg=-0.525) USER MOD Single : A 12 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 76:sc= 0.494 USER MOD Single : A 23 THR OG1 : rot -123:sc= -1.73! USER MOD Single : A 30 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.22) USER MOD Single : A 34 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 36 GLN : amide:sc= -1.22! K(o=-1.2!,f=-0.052) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.686 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 53 ASN : amide:sc= -1.06 K(o=-1.1,f=-15!) USER MOD Single : A 56 LYS NZ :NH3+ 140:sc= 1.25 (180deg=0.176) USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 62 THR OG1 : rot 62:sc= 1.29 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0073 USER MOD Single : A 70 THR OG1 : rot 52:sc= 0.121 USER MOD Single : A 71 MET CE :methyl -160:sc= -0.131 (180deg=-0.645) USER MOD Single : A 77 GLN : amide:sc= 1.03 K(o=1,f=-0.38) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -150:sc= -0.0628 (180deg=-0.469) USER MOD Single : A 101 ASN : amide:sc= -0.0533 K(o=-0.053,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= 1.28 (180deg=-0.146) USER MOD Single : A 107 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.3!) USER MOD Single : A 115 ASN : amide:sc= -8.28! C(o=-8.3!,f=-14!) USER MOD Single : A 116 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.05) USER MOD Single : A 117 MET CE :methyl -122:sc= -2.49! (180deg=-7.46!) USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.17) USER MOD Single : A 123 ASN : amide:sc= -2.71 X(o=-2.7,f=-2.4) USER MOD Single : A 128 MET CE :methyl 154:sc= -1.78 (180deg=-2.86) USER MOD Single : A 129 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.055) USER MOD Single : A 132 MET CE :methyl -163:sc= -0.25 (180deg=-0.94) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 145 THR OG1 : rot -11:sc= 0.126 USER MOD Single : A 148 CYS SG : rot 110:sc= -1.64 USER MOD Single : A 149 LYS NZ :NH3+ -146:sc= 0.558 (180deg=-0.0355) USER MOD Single : A 151 SER OG : rot -109:sc= 1.2! USER MOD Single : A 153 LYS NZ :NH3+ -168:sc= -0.0182 (180deg=-0.181) USER MOD Single : A 154 THR OG1 : rot 170:sc= -0.461 USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= 0.033 (180deg=-0.151) USER MOD Single : A 160 HIS : no HD1:sc=-0.00247 X(o=-0.0025,f=-0.0025) USER MOD Single : A 164 MET CE :methyl 140:sc= -2.54! (180deg=-5.46!) USER MOD Single : A 171 MET CE :methyl -153:sc= -0.479 (180deg=-1.52!) USER MOD Single : A 175 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0207) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 179 GDP O2' : rot 24:sc= 0.295 USER MOD Single : A 179 GDP O3' : rot 180:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.600 1.810 -20.922 1.00 11.58 N ATOM 2 CA GLY A 1 -21.683 2.452 -19.587 1.00 11.11 C ATOM 3 C GLY A 1 -22.352 1.562 -18.563 1.00 10.21 C ATOM 4 O GLY A 1 -22.689 0.411 -18.851 1.00 9.82 O ATOM 0 H1 GLY A 1 -20.619 1.850 -21.266 1.00 11.58 H new ATOM 0 H2 GLY A 1 -21.901 0.817 -20.849 1.00 11.58 H new ATOM 0 H3 GLY A 1 -22.221 2.312 -21.588 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -20.679 2.705 -19.245 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -22.237 3.387 -19.670 1.00 11.11 H new ATOM 10 N SER A 2 -22.550 2.089 -17.365 1.00 10.08 N ATOM 11 CA SER A 2 -23.191 1.341 -16.297 1.00 9.47 C ATOM 12 C SER A 2 -24.418 2.081 -15.778 1.00 8.68 C ATOM 13 O SER A 2 -24.332 2.870 -14.841 1.00 8.69 O ATOM 14 CB SER A 2 -22.200 1.098 -15.154 1.00 9.96 C ATOM 15 OG SER A 2 -21.058 0.392 -15.609 1.00 10.61 O ATOM 0 H SER A 2 -22.274 3.037 -17.108 1.00 10.08 H new ATOM 0 HA SER A 2 -23.514 0.380 -16.698 1.00 9.47 H new ATOM 0 HB2 SER A 2 -21.894 2.052 -14.725 1.00 9.96 H new ATOM 0 HB3 SER A 2 -22.688 0.533 -14.360 1.00 9.96 H new ATOM 0 HG SER A 2 -20.441 0.251 -14.861 1.00 10.61 H new ATOM 21 N HIS A 3 -25.556 1.850 -16.418 1.00 8.25 N ATOM 22 CA HIS A 3 -26.826 2.387 -15.949 1.00 7.71 C ATOM 23 C HIS A 3 -27.807 1.253 -15.697 1.00 6.90 C ATOM 24 O HIS A 3 -28.691 1.358 -14.847 1.00 6.93 O ATOM 25 CB HIS A 3 -27.421 3.378 -16.950 1.00 8.30 C ATOM 26 CG HIS A 3 -26.750 4.712 -16.946 1.00 8.89 C ATOM 27 ND1 HIS A 3 -26.353 5.355 -18.096 1.00 9.51 N ATOM 28 CD2 HIS A 3 -26.426 5.539 -15.923 1.00 9.23 C ATOM 29 CE1 HIS A 3 -25.810 6.516 -17.781 1.00 10.14 C ATOM 30 NE2 HIS A 3 -25.843 6.652 -16.471 1.00 9.99 N ATOM 0 H HIS A 3 -25.625 1.291 -17.268 1.00 8.25 H new ATOM 0 HA HIS A 3 -26.640 2.922 -15.018 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -27.357 2.952 -17.951 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -28.480 3.513 -16.728 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -26.595 5.356 -14.872 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -25.406 7.234 -18.480 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -25.492 7.455 -15.949 1.00 9.99 H new ATOM 39 N MET A 4 -27.652 0.178 -16.458 1.00 6.50 N ATOM 40 CA MET A 4 -28.447 -1.025 -16.248 1.00 6.05 C ATOM 41 C MET A 4 -28.012 -1.690 -14.951 1.00 5.19 C ATOM 42 O MET A 4 -28.792 -1.823 -14.008 1.00 5.17 O ATOM 43 CB MET A 4 -28.278 -1.988 -17.426 1.00 6.67 C ATOM 44 CG MET A 4 -29.029 -3.299 -17.260 1.00 7.26 C ATOM 45 SD MET A 4 -28.732 -4.449 -18.619 1.00 8.18 S ATOM 46 CE MET A 4 -29.398 -3.521 -19.999 1.00 8.77 C ATOM 0 H MET A 4 -26.984 0.114 -17.226 1.00 6.50 H new ATOM 0 HA MET A 4 -29.501 -0.756 -16.180 1.00 6.05 H new ATOM 0 HB2 MET A 4 -28.621 -1.497 -18.337 1.00 6.67 H new ATOM 0 HB3 MET A 4 -27.218 -2.202 -17.559 1.00 6.67 H new ATOM 0 HG2 MET A 4 -28.731 -3.767 -16.322 1.00 7.26 H new ATOM 0 HG3 MET A 4 -30.097 -3.095 -17.189 1.00 7.26 H new ATOM 0 HE1 MET A 4 -29.585 -4.195 -20.835 1.00 8.77 H new ATOM 0 HE2 MET A 4 -30.332 -3.046 -19.701 1.00 8.77 H new ATOM 0 HE3 MET A 4 -28.683 -2.757 -20.302 1.00 8.77 H new ATOM 56 N VAL A 5 -26.750 -2.085 -14.907 1.00 4.89 N ATOM 57 CA VAL A 5 -26.166 -2.661 -13.710 1.00 4.47 C ATOM 58 C VAL A 5 -24.810 -2.027 -13.437 1.00 4.02 C ATOM 59 O VAL A 5 -24.050 -1.750 -14.366 1.00 4.26 O ATOM 60 CB VAL A 5 -26.002 -4.197 -13.821 1.00 5.11 C ATOM 61 CG1 VAL A 5 -27.357 -4.886 -13.821 1.00 5.46 C ATOM 62 CG2 VAL A 5 -25.216 -4.577 -15.069 1.00 5.74 C ATOM 0 H VAL A 5 -26.106 -2.016 -15.695 1.00 4.89 H new ATOM 0 HA VAL A 5 -26.849 -2.456 -12.886 1.00 4.47 H new ATOM 0 HB VAL A 5 -25.441 -4.534 -12.949 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -27.217 -5.964 -13.900 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -27.883 -4.655 -12.894 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -27.944 -4.534 -14.669 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -25.117 -5.661 -15.120 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -25.742 -4.218 -15.954 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -24.226 -4.124 -15.027 1.00 5.74 H new ATOM 72 N GLU A 6 -24.529 -1.769 -12.171 1.00 3.71 N ATOM 73 CA GLU A 6 -23.238 -1.231 -11.771 1.00 3.56 C ATOM 74 C GLU A 6 -22.496 -2.231 -10.904 1.00 3.07 C ATOM 75 O GLU A 6 -23.110 -3.007 -10.167 1.00 3.23 O ATOM 76 CB GLU A 6 -23.395 0.088 -11.004 1.00 4.14 C ATOM 77 CG GLU A 6 -23.840 1.258 -11.865 1.00 4.54 C ATOM 78 CD GLU A 6 -23.879 2.560 -11.092 1.00 5.11 C ATOM 79 OE1 GLU A 6 -22.802 3.089 -10.755 1.00 5.70 O ATOM 80 OE2 GLU A 6 -24.990 3.069 -10.826 1.00 5.29 O ATOM 0 H GLU A 6 -25.179 -1.924 -11.400 1.00 3.71 H new ATOM 0 HA GLU A 6 -22.667 -1.038 -12.679 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -24.119 -0.055 -10.202 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -22.444 0.338 -10.534 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -23.162 1.361 -12.712 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -24.829 1.050 -12.272 1.00 4.54 H new ATOM 87 N ARG A 7 -21.183 -2.231 -11.019 1.00 2.85 N ATOM 88 CA ARG A 7 -20.342 -3.021 -10.141 1.00 2.62 C ATOM 89 C ARG A 7 -19.494 -2.099 -9.278 1.00 2.19 C ATOM 90 O ARG A 7 -18.488 -1.556 -9.736 1.00 2.44 O ATOM 91 CB ARG A 7 -19.450 -3.974 -10.945 1.00 3.27 C ATOM 92 CG ARG A 7 -18.355 -4.634 -10.112 1.00 3.86 C ATOM 93 CD ARG A 7 -17.568 -5.652 -10.917 1.00 4.69 C ATOM 94 NE ARG A 7 -18.268 -6.934 -11.024 1.00 5.27 N ATOM 95 CZ ARG A 7 -18.599 -7.515 -12.177 1.00 6.08 C ATOM 96 NH1 ARG A 7 -18.406 -6.884 -13.330 1.00 6.40 N ATOM 97 NH2 ARG A 7 -19.139 -8.728 -12.176 1.00 6.85 N ATOM 0 H ARG A 7 -20.672 -1.689 -11.716 1.00 2.85 H new ATOM 0 HA ARG A 7 -20.981 -3.626 -9.498 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -20.072 -4.749 -11.393 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -18.989 -3.422 -11.764 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -17.677 -3.869 -9.732 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -18.802 -5.123 -9.246 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -17.382 -5.257 -11.916 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -16.596 -5.809 -10.450 1.00 4.69 H new ATOM 0 HE ARG A 7 -18.519 -7.414 -10.159 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -18.002 -5.948 -13.337 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -18.662 -7.336 -14.208 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -19.300 -9.214 -11.294 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -19.393 -9.174 -13.058 1.00 6.85 H new ATOM 111 N PRO A 8 -19.920 -1.876 -8.030 1.00 2.01 N ATOM 112 CA PRO A 8 -19.161 -1.082 -7.070 1.00 2.04 C ATOM 113 C PRO A 8 -17.915 -1.828 -6.622 1.00 1.71 C ATOM 114 O PRO A 8 -18.013 -2.905 -6.030 1.00 1.69 O ATOM 115 CB PRO A 8 -20.131 -0.889 -5.892 1.00 2.57 C ATOM 116 CG PRO A 8 -21.460 -1.361 -6.382 1.00 2.80 C ATOM 117 CD PRO A 8 -21.171 -2.375 -7.447 1.00 2.42 C ATOM 0 HA PRO A 8 -18.817 -0.136 -7.489 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -19.809 -1.461 -5.022 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -20.175 0.157 -5.588 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -22.041 -1.801 -5.571 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -22.046 -0.533 -6.781 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -21.054 -3.376 -7.033 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -21.971 -2.427 -8.186 1.00 2.42 H new ATOM 125 N PRO A 9 -16.728 -1.280 -6.922 1.00 1.83 N ATOM 126 CA PRO A 9 -15.459 -1.912 -6.567 1.00 1.84 C ATOM 127 C PRO A 9 -15.385 -2.220 -5.080 1.00 1.40 C ATOM 128 O PRO A 9 -15.510 -1.316 -4.245 1.00 1.72 O ATOM 129 CB PRO A 9 -14.411 -0.864 -6.952 1.00 2.47 C ATOM 130 CG PRO A 9 -15.075 -0.030 -7.991 1.00 2.76 C ATOM 131 CD PRO A 9 -16.533 -0.001 -7.623 1.00 2.36 C ATOM 0 HA PRO A 9 -15.318 -2.867 -7.072 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -14.116 -0.264 -6.091 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -13.506 -1.332 -7.339 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -14.657 0.976 -8.011 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -14.931 -0.455 -8.984 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -16.770 0.849 -6.983 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -17.169 0.076 -8.505 1.00 2.36 H new ATOM 139 N VAL A 10 -15.204 -3.491 -4.754 1.00 1.18 N ATOM 140 CA VAL A 10 -15.140 -3.918 -3.367 1.00 0.94 C ATOM 141 C VAL A 10 -13.780 -3.564 -2.780 1.00 0.94 C ATOM 142 O VAL A 10 -12.915 -4.425 -2.592 1.00 1.76 O ATOM 143 CB VAL A 10 -15.403 -5.433 -3.212 1.00 1.25 C ATOM 144 CG1 VAL A 10 -15.532 -5.812 -1.741 1.00 1.90 C ATOM 145 CG2 VAL A 10 -16.653 -5.836 -3.976 1.00 2.00 C ATOM 0 H VAL A 10 -15.099 -4.245 -5.433 1.00 1.18 H new ATOM 0 HA VAL A 10 -15.926 -3.393 -2.824 1.00 0.94 H new ATOM 0 HB VAL A 10 -14.552 -5.971 -3.630 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -15.717 -6.883 -1.656 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -14.609 -5.560 -1.218 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -16.362 -5.264 -1.296 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -16.824 -6.906 -3.856 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -17.510 -5.286 -3.587 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -16.523 -5.605 -5.033 1.00 2.00 H new ATOM 155 N VAL A 11 -13.598 -2.280 -2.519 1.00 0.62 N ATOM 156 CA VAL A 11 -12.361 -1.769 -1.959 1.00 0.61 C ATOM 157 C VAL A 11 -12.170 -2.297 -0.541 1.00 0.62 C ATOM 158 O VAL A 11 -12.624 -1.705 0.436 1.00 0.93 O ATOM 159 CB VAL A 11 -12.343 -0.226 -1.964 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.065 0.305 -1.345 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.497 0.297 -3.384 1.00 0.95 C ATOM 0 H VAL A 11 -14.304 -1.564 -2.690 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.537 -2.116 -2.582 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.182 0.126 -1.364 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.078 1.395 -1.361 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -10.989 -0.042 -0.314 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.208 -0.056 -1.914 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.483 1.387 -3.374 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.675 -0.071 -3.998 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.444 -0.050 -3.799 1.00 0.95 H new ATOM 171 N THR A 12 -11.504 -3.434 -0.452 1.00 0.44 N ATOM 172 CA THR A 12 -11.322 -4.122 0.810 1.00 0.45 C ATOM 173 C THR A 12 -10.230 -3.457 1.637 1.00 0.41 C ATOM 174 O THR A 12 -9.102 -3.318 1.177 1.00 0.50 O ATOM 175 CB THR A 12 -10.950 -5.592 0.559 1.00 0.54 C ATOM 176 OG1 THR A 12 -11.865 -6.172 -0.380 1.00 0.61 O ATOM 177 CG2 THR A 12 -10.973 -6.384 1.854 1.00 0.64 C ATOM 0 H THR A 12 -11.076 -3.904 -1.250 1.00 0.44 H new ATOM 0 HA THR A 12 -12.260 -4.072 1.363 1.00 0.45 H new ATOM 0 HB THR A 12 -9.940 -5.626 0.151 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.725 -7.141 -0.418 1.00 0.61 H new ATOM 0 HG21 THR A 12 -10.706 -7.421 1.651 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.257 -5.956 2.555 1.00 0.64 H new ATOM 0 HG23 THR A 12 -11.973 -6.344 2.287 1.00 0.64 H new ATOM 185 N ILE A 13 -10.566 -3.037 2.846 1.00 0.40 N ATOM 186 CA ILE A 13 -9.585 -2.424 3.726 1.00 0.40 C ATOM 187 C ILE A 13 -8.834 -3.490 4.518 1.00 0.37 C ATOM 188 O ILE A 13 -9.418 -4.217 5.323 1.00 0.52 O ATOM 189 CB ILE A 13 -10.232 -1.408 4.688 1.00 0.52 C ATOM 190 CG1 ILE A 13 -10.838 -0.248 3.890 1.00 1.15 C ATOM 191 CG2 ILE A 13 -9.206 -0.890 5.692 1.00 1.26 C ATOM 192 CD1 ILE A 13 -11.438 0.841 4.752 1.00 1.30 C ATOM 0 H ILE A 13 -11.505 -3.109 3.238 1.00 0.40 H new ATOM 0 HA ILE A 13 -8.879 -1.883 3.096 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.027 -1.907 5.243 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -10.065 0.188 3.257 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -11.610 -0.640 3.227 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -9.682 -0.174 6.362 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -8.812 -1.724 6.273 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -8.390 -0.401 5.159 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -11.846 1.626 4.115 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -12.235 0.421 5.366 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -10.666 1.262 5.397 1.00 1.30 H new ATOM 204 N MET A 14 -7.543 -3.589 4.254 1.00 0.26 N ATOM 205 CA MET A 14 -6.676 -4.524 4.932 1.00 0.28 C ATOM 206 C MET A 14 -5.690 -3.763 5.794 1.00 0.24 C ATOM 207 O MET A 14 -5.723 -2.536 5.846 1.00 0.29 O ATOM 208 CB MET A 14 -5.903 -5.349 3.911 1.00 0.36 C ATOM 209 CG MET A 14 -6.760 -6.256 3.050 1.00 0.49 C ATOM 210 SD MET A 14 -7.530 -7.590 3.977 1.00 0.79 S ATOM 211 CE MET A 14 -8.164 -8.583 2.628 1.00 0.69 C ATOM 0 H MET A 14 -7.067 -3.016 3.557 1.00 0.26 H new ATOM 0 HA MET A 14 -7.282 -5.185 5.552 1.00 0.28 H new ATOM 0 HB2 MET A 14 -5.349 -4.672 3.261 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.168 -5.958 4.438 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.536 -5.662 2.568 1.00 0.49 H new ATOM 0 HG3 MET A 14 -6.145 -6.681 2.257 1.00 0.49 H new ATOM 0 HE1 MET A 14 -9.094 -9.062 2.935 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.352 -7.946 1.764 1.00 0.69 H new ATOM 0 HE3 MET A 14 -7.433 -9.346 2.363 1.00 0.69 H new ATOM 221 N GLY A 15 -4.806 -4.484 6.456 1.00 0.27 N ATOM 222 CA GLY A 15 -3.764 -3.848 7.212 1.00 0.27 C ATOM 223 C GLY A 15 -3.530 -4.520 8.530 1.00 0.24 C ATOM 224 O GLY A 15 -4.112 -5.569 8.814 1.00 0.31 O ATOM 0 H GLY A 15 -4.794 -5.504 6.481 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -2.841 -3.856 6.633 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.025 -2.803 7.380 1.00 0.27 H new ATOM 228 N HIS A 16 -2.674 -3.925 9.333 1.00 0.20 N ATOM 229 CA HIS A 16 -2.370 -4.468 10.643 1.00 0.17 C ATOM 230 C HIS A 16 -3.401 -4.012 11.667 1.00 0.19 C ATOM 231 O HIS A 16 -4.151 -3.061 11.450 1.00 0.22 O ATOM 232 CB HIS A 16 -0.973 -4.045 11.094 1.00 0.17 C ATOM 233 CG HIS A 16 -0.511 -4.721 12.351 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.565 -6.085 12.499 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.026 -4.175 13.483 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.114 -6.331 13.722 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.225 -5.203 14.351 1.00 0.22 N ATOM 0 H HIS A 16 -2.175 -3.065 9.103 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.402 -5.555 10.569 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.263 -4.260 10.295 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -0.962 -2.966 11.248 1.00 0.17 H new ATOM 0 HD2 HIS A 16 0.135 -3.124 13.670 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.032 -7.318 14.154 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.599 -5.123 15.297 1.00 0.22 H new ATOM 245 N VAL A 17 -3.434 -4.717 12.777 1.00 0.20 N ATOM 246 CA VAL A 17 -4.294 -4.370 13.895 1.00 0.25 C ATOM 247 C VAL A 17 -3.710 -3.188 14.660 1.00 0.26 C ATOM 248 O VAL A 17 -2.503 -2.964 14.622 1.00 0.25 O ATOM 249 CB VAL A 17 -4.450 -5.582 14.821 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.086 -6.132 15.207 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.234 -5.261 16.066 1.00 0.36 C ATOM 0 H VAL A 17 -2.865 -5.549 12.933 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.276 -4.085 13.517 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.009 -6.333 14.263 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.213 -6.992 15.864 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.550 -6.438 14.309 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.516 -5.361 15.725 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.314 -6.154 16.686 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.724 -4.476 16.625 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.232 -4.920 15.790 1.00 0.36 H new ATOM 261 N ASP A 18 -4.578 -2.414 15.314 1.00 0.31 N ATOM 262 CA ASP A 18 -4.177 -1.213 16.058 1.00 0.36 C ATOM 263 C ASP A 18 -3.822 -0.083 15.093 1.00 0.34 C ATOM 264 O ASP A 18 -3.834 1.092 15.459 1.00 0.41 O ATOM 265 CB ASP A 18 -3.020 -1.519 17.018 1.00 0.42 C ATOM 266 CG ASP A 18 -2.652 -0.339 17.903 1.00 0.55 C ATOM 267 OD1 ASP A 18 -1.840 0.502 17.478 1.00 0.59 O ATOM 268 OD2 ASP A 18 -3.155 -0.265 19.042 1.00 0.69 O ATOM 0 H ASP A 18 -5.580 -2.600 15.344 1.00 0.31 H new ATOM 0 HA ASP A 18 -5.021 -0.885 16.664 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.292 -2.366 17.647 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.146 -1.819 16.440 1.00 0.42 H new ATOM 273 N HIS A 19 -3.520 -0.444 13.850 1.00 0.29 N ATOM 274 CA HIS A 19 -3.381 0.536 12.788 1.00 0.32 C ATOM 275 C HIS A 19 -4.771 0.924 12.296 1.00 0.43 C ATOM 276 O HIS A 19 -4.935 1.835 11.498 1.00 0.63 O ATOM 277 CB HIS A 19 -2.538 0.003 11.622 1.00 0.29 C ATOM 278 CG HIS A 19 -1.167 -0.467 12.001 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.249 -0.816 11.043 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.611 -0.626 13.227 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.838 -1.178 11.700 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.664 -1.081 13.022 1.00 0.24 N ATOM 0 H HIS A 19 -3.368 -1.409 13.557 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.861 1.407 13.186 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.073 -0.823 11.153 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.443 0.788 10.872 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.082 -0.432 14.179 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.751 -1.510 11.229 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.351 -1.304 13.742 1.00 0.24 H new ATOM 290 N GLY A 20 -5.776 0.198 12.771 1.00 0.42 N ATOM 291 CA GLY A 20 -7.140 0.607 12.548 1.00 0.54 C ATOM 292 C GLY A 20 -7.998 -0.418 11.842 1.00 0.57 C ATOM 293 O GLY A 20 -8.486 -0.164 10.747 1.00 0.79 O ATOM 0 H GLY A 20 -5.666 -0.664 13.305 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.596 0.843 13.509 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.139 1.526 11.962 1.00 0.54 H new ATOM 297 N LYS A 21 -8.185 -1.582 12.454 1.00 0.61 N ATOM 298 CA LYS A 21 -9.181 -2.525 11.968 1.00 0.95 C ATOM 299 C LYS A 21 -10.589 -1.928 12.037 1.00 0.89 C ATOM 300 O LYS A 21 -11.164 -1.551 11.021 1.00 1.05 O ATOM 301 CB LYS A 21 -9.116 -3.818 12.769 1.00 1.36 C ATOM 302 CG LYS A 21 -7.884 -4.643 12.470 1.00 1.79 C ATOM 303 CD LYS A 21 -7.913 -5.152 11.040 1.00 2.30 C ATOM 304 CE LYS A 21 -6.641 -5.896 10.693 1.00 2.66 C ATOM 305 NZ LYS A 21 -6.747 -6.615 9.398 1.00 3.31 N ATOM 0 H LYS A 21 -7.667 -1.891 13.276 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.959 -2.743 10.923 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -9.137 -3.580 13.833 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -10.004 -4.414 12.558 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -6.990 -4.041 12.629 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -7.828 -5.485 13.160 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -8.770 -5.811 10.904 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.044 -4.313 10.356 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -5.811 -5.191 10.648 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -6.412 -6.609 11.485 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -6.345 -7.569 9.497 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -7.747 -6.688 9.122 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -6.223 -6.093 8.667 1.00 3.31 H new ATOM 319 N THR A 22 -11.137 -1.835 13.240 1.00 0.84 N ATOM 320 CA THR A 22 -12.481 -1.307 13.417 1.00 0.87 C ATOM 321 C THR A 22 -12.477 0.219 13.382 1.00 0.79 C ATOM 322 O THR A 22 -13.410 0.839 12.875 1.00 0.79 O ATOM 323 CB THR A 22 -13.084 -1.781 14.750 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.778 -3.168 14.950 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.593 -1.583 14.767 1.00 1.18 C ATOM 0 H THR A 22 -10.674 -2.117 14.104 1.00 0.84 H new ATOM 0 HA THR A 22 -13.090 -1.681 12.594 1.00 0.87 H new ATOM 0 HB THR A 22 -12.650 -1.187 15.555 1.00 1.02 H new ATOM 0 HG1 THR A 22 -11.841 -3.260 15.223 1.00 1.21 H new ATOM 0 HG21 THR A 22 -14.994 -1.926 15.721 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.823 -0.526 14.636 1.00 1.18 H new ATOM 0 HG23 THR A 22 -15.044 -2.155 13.956 1.00 1.18 H new ATOM 333 N THR A 23 -11.409 0.813 13.904 1.00 0.75 N ATOM 334 CA THR A 23 -11.301 2.261 14.021 1.00 0.75 C ATOM 335 C THR A 23 -11.410 2.976 12.678 1.00 0.67 C ATOM 336 O THR A 23 -11.893 4.103 12.615 1.00 0.66 O ATOM 337 CB THR A 23 -9.980 2.652 14.697 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.070 1.542 14.667 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.210 3.088 16.135 1.00 1.17 C ATOM 0 H THR A 23 -10.597 0.306 14.256 1.00 0.75 H new ATOM 0 HA THR A 23 -12.144 2.580 14.634 1.00 0.75 H new ATOM 0 HB THR A 23 -9.552 3.491 14.148 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.797 1.318 15.581 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.257 3.359 16.590 1.00 1.17 H new ATOM 0 HG22 THR A 23 -10.878 3.949 16.152 1.00 1.17 H new ATOM 0 HG23 THR A 23 -10.660 2.269 16.696 1.00 1.17 H new ATOM 347 N LEU A 24 -10.980 2.330 11.603 1.00 0.65 N ATOM 348 CA LEU A 24 -11.018 2.948 10.292 1.00 0.63 C ATOM 349 C LEU A 24 -12.454 3.041 9.804 1.00 0.64 C ATOM 350 O LEU A 24 -12.923 4.116 9.440 1.00 0.65 O ATOM 351 CB LEU A 24 -10.195 2.130 9.325 1.00 0.67 C ATOM 352 CG LEU A 24 -9.440 2.915 8.241 1.00 0.84 C ATOM 353 CD1 LEU A 24 -10.403 3.666 7.331 1.00 1.49 C ATOM 354 CD2 LEU A 24 -8.449 3.884 8.880 1.00 1.30 C ATOM 0 H LEU A 24 -10.603 1.382 11.616 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.603 3.954 10.355 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.469 1.552 9.897 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.855 1.416 8.833 1.00 0.67 H new ATOM 0 HG LEU A 24 -8.890 2.199 7.630 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -9.838 4.211 6.575 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -11.071 2.956 6.843 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -10.990 4.369 7.923 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.922 4.433 8.099 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.986 4.586 9.518 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.730 3.326 9.480 1.00 1.30 H new ATOM 366 N LEU A 25 -13.160 1.916 9.822 1.00 0.68 N ATOM 367 CA LEU A 25 -14.552 1.883 9.387 1.00 0.75 C ATOM 368 C LEU A 25 -15.449 2.605 10.379 1.00 0.74 C ATOM 369 O LEU A 25 -16.626 2.827 10.116 1.00 0.82 O ATOM 370 CB LEU A 25 -15.043 0.450 9.185 1.00 0.85 C ATOM 371 CG LEU A 25 -14.378 -0.308 8.035 1.00 0.92 C ATOM 372 CD1 LEU A 25 -15.191 -1.538 7.671 1.00 1.63 C ATOM 373 CD2 LEU A 25 -14.213 0.598 6.826 1.00 1.69 C ATOM 0 H LEU A 25 -12.793 1.016 10.132 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.602 2.398 8.428 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -14.881 -0.107 10.108 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -16.119 0.472 9.011 1.00 0.85 H new ATOM 0 HG LEU A 25 -13.389 -0.631 8.360 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -14.704 -2.066 6.851 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -15.261 -2.197 8.536 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -16.192 -1.235 7.364 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -13.738 0.043 6.017 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.191 0.950 6.499 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -13.591 1.452 7.094 1.00 1.69 H new ATOM 385 N ASP A 26 -14.895 2.975 11.519 1.00 0.71 N ATOM 386 CA ASP A 26 -15.638 3.729 12.507 1.00 0.75 C ATOM 387 C ASP A 26 -15.464 5.195 12.210 1.00 0.70 C ATOM 388 O ASP A 26 -16.419 5.973 12.190 1.00 0.76 O ATOM 389 CB ASP A 26 -15.125 3.433 13.905 1.00 0.81 C ATOM 390 CG ASP A 26 -15.958 4.091 14.985 1.00 1.01 C ATOM 391 OD1 ASP A 26 -15.723 5.279 15.291 1.00 1.23 O ATOM 392 OD2 ASP A 26 -16.866 3.425 15.534 1.00 1.13 O ATOM 0 H ASP A 26 -13.932 2.765 11.782 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.690 3.448 12.462 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.118 2.355 14.064 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.093 3.775 13.989 1.00 0.81 H new ATOM 397 N ALA A 27 -14.223 5.534 11.923 1.00 0.63 N ATOM 398 CA ALA A 27 -13.828 6.901 11.646 1.00 0.61 C ATOM 399 C ALA A 27 -14.359 7.350 10.292 1.00 0.58 C ATOM 400 O ALA A 27 -14.556 8.538 10.043 1.00 0.62 O ATOM 401 CB ALA A 27 -12.317 6.986 11.676 1.00 0.61 C ATOM 0 H ALA A 27 -13.455 4.864 11.875 1.00 0.63 H new ATOM 0 HA ALA A 27 -14.249 7.562 12.404 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -12.006 8.010 11.469 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.955 6.689 12.660 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.900 6.320 10.920 1.00 0.61 H new ATOM 407 N ILE A 28 -14.584 6.381 9.428 1.00 0.56 N ATOM 408 CA ILE A 28 -15.008 6.638 8.068 1.00 0.57 C ATOM 409 C ILE A 28 -16.519 6.884 7.999 1.00 0.64 C ATOM 410 O ILE A 28 -17.000 7.621 7.136 1.00 0.71 O ATOM 411 CB ILE A 28 -14.594 5.454 7.162 1.00 0.61 C ATOM 412 CG1 ILE A 28 -14.444 5.891 5.710 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.585 4.303 7.266 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.706 4.865 4.877 1.00 0.85 C ATOM 0 H ILE A 28 -14.478 5.391 9.650 1.00 0.56 H new ATOM 0 HA ILE A 28 -14.516 7.543 7.711 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.624 5.104 7.516 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -15.431 6.063 5.280 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.910 6.840 5.671 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -15.265 3.488 6.617 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.627 3.951 8.297 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.573 4.645 6.958 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.624 5.221 3.850 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.708 4.711 5.289 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -14.253 3.923 4.892 1.00 0.85 H new ATOM 426 N ARG A 29 -17.260 6.304 8.942 1.00 0.70 N ATOM 427 CA ARG A 29 -18.715 6.412 8.945 1.00 0.82 C ATOM 428 C ARG A 29 -19.169 7.781 9.428 1.00 0.86 C ATOM 429 O ARG A 29 -20.086 8.370 8.865 1.00 1.07 O ATOM 430 CB ARG A 29 -19.341 5.320 9.816 1.00 0.99 C ATOM 431 CG ARG A 29 -19.204 3.930 9.225 1.00 1.06 C ATOM 432 CD ARG A 29 -19.857 2.871 10.103 1.00 1.06 C ATOM 433 NE ARG A 29 -21.275 3.137 10.343 1.00 1.62 N ATOM 434 CZ ARG A 29 -22.183 2.191 10.592 1.00 2.19 C ATOM 435 NH1 ARG A 29 -21.844 0.904 10.571 1.00 2.49 N ATOM 436 NH2 ARG A 29 -23.434 2.534 10.857 1.00 3.04 N ATOM 0 H ARG A 29 -16.876 5.756 9.712 1.00 0.70 H new ATOM 0 HA ARG A 29 -19.052 6.281 7.917 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.873 5.337 10.800 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -20.398 5.543 9.962 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.659 3.911 8.234 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -18.148 3.693 9.096 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -19.749 1.895 9.630 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -19.333 2.822 11.058 1.00 1.06 H new ATOM 0 HE ARG A 29 -21.590 4.107 10.319 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -20.883 0.633 10.363 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -22.545 0.189 10.763 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -23.701 3.518 10.870 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -24.131 1.814 11.048 1.00 3.04 H new ATOM 450 N HIS A 30 -18.512 8.297 10.456 1.00 0.83 N ATOM 451 CA HIS A 30 -18.896 9.583 11.032 1.00 0.98 C ATOM 452 C HIS A 30 -18.106 10.714 10.398 1.00 0.95 C ATOM 453 O HIS A 30 -17.842 11.751 11.003 1.00 1.10 O ATOM 454 CB HIS A 30 -18.661 9.583 12.519 1.00 1.15 C ATOM 455 CG HIS A 30 -19.380 10.671 13.242 1.00 1.60 C ATOM 456 ND1 HIS A 30 -18.752 11.689 13.927 1.00 2.04 N ATOM 457 CD2 HIS A 30 -20.689 10.887 13.369 1.00 2.10 C ATOM 458 CE1 HIS A 30 -19.664 12.487 14.448 1.00 2.61 C ATOM 459 NE2 HIS A 30 -20.853 12.019 14.122 1.00 2.65 N ATOM 0 H HIS A 30 -17.714 7.850 10.908 1.00 0.83 H new ATOM 0 HA HIS A 30 -19.957 9.736 10.833 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -18.972 8.621 12.927 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -17.592 9.678 12.708 1.00 1.15 H new ATOM 0 HD2 HIS A 30 -21.478 10.279 12.953 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -19.471 13.370 15.039 1.00 2.61 H new ATOM 0 HE2 HIS A 30 -21.747 12.432 14.387 1.00 2.65 H new ATOM 468 N SER A 31 -17.727 10.481 9.180 1.00 0.82 N ATOM 469 CA SER A 31 -17.004 11.453 8.405 1.00 0.84 C ATOM 470 C SER A 31 -17.957 12.047 7.379 1.00 1.00 C ATOM 471 O SER A 31 -18.007 13.264 7.188 1.00 1.38 O ATOM 472 CB SER A 31 -15.798 10.784 7.727 1.00 0.78 C ATOM 473 OG SER A 31 -14.924 11.740 7.148 1.00 1.46 O ATOM 0 H SER A 31 -17.910 9.606 8.688 1.00 0.82 H new ATOM 0 HA SER A 31 -16.623 12.250 9.043 1.00 0.84 H new ATOM 0 HB2 SER A 31 -15.253 10.189 8.460 1.00 0.78 H new ATOM 0 HB3 SER A 31 -16.148 10.098 6.956 1.00 0.78 H new ATOM 0 HG SER A 31 -14.005 11.561 7.437 1.00 1.46 H new ATOM 479 N LYS A 32 -18.740 11.169 6.754 1.00 0.91 N ATOM 480 CA LYS A 32 -19.714 11.568 5.753 1.00 1.09 C ATOM 481 C LYS A 32 -20.556 10.377 5.324 1.00 1.10 C ATOM 482 O LYS A 32 -20.411 9.299 5.894 1.00 1.37 O ATOM 483 CB LYS A 32 -19.025 12.210 4.549 1.00 1.39 C ATOM 484 CG LYS A 32 -17.893 11.394 3.946 1.00 1.56 C ATOM 485 CD LYS A 32 -16.553 11.932 4.414 1.00 2.24 C ATOM 486 CE LYS A 32 -15.394 11.067 3.968 1.00 3.10 C ATOM 487 NZ LYS A 32 -14.103 11.578 4.501 1.00 3.92 N ATOM 0 H LYS A 32 -18.713 10.165 6.930 1.00 0.91 H new ATOM 0 HA LYS A 32 -20.376 12.312 6.197 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -19.772 12.393 3.777 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -18.632 13.181 4.849 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -17.994 10.348 4.235 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -17.948 11.430 2.858 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -16.417 12.943 4.030 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -16.553 12.002 5.502 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -15.550 10.043 4.307 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -15.355 11.040 2.879 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -13.339 10.919 4.250 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -13.903 12.512 4.090 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -14.163 11.660 5.536 1.00 3.92 H new ATOM 501 N VAL A 33 -21.393 10.597 4.295 1.00 1.17 N ATOM 502 CA VAL A 33 -22.430 9.656 3.812 1.00 1.39 C ATOM 503 C VAL A 33 -23.380 9.180 4.921 1.00 1.51 C ATOM 504 O VAL A 33 -24.580 9.430 4.851 1.00 2.31 O ATOM 505 CB VAL A 33 -21.878 8.450 2.981 1.00 2.16 C ATOM 506 CG1 VAL A 33 -20.960 7.532 3.772 1.00 3.10 C ATOM 507 CG2 VAL A 33 -23.030 7.650 2.391 1.00 3.06 C ATOM 0 H VAL A 33 -21.369 11.462 3.756 1.00 1.17 H new ATOM 0 HA VAL A 33 -23.015 10.256 3.115 1.00 1.39 H new ATOM 0 HB VAL A 33 -21.271 8.881 2.185 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -20.617 6.720 3.131 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -20.101 8.098 4.131 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -21.503 7.119 4.622 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -22.635 6.813 1.815 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -23.660 7.271 3.196 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -23.622 8.292 1.739 1.00 3.06 H new ATOM 517 N THR A 34 -22.856 8.519 5.930 1.00 1.46 N ATOM 518 CA THR A 34 -23.653 8.068 7.051 1.00 1.91 C ATOM 519 C THR A 34 -23.616 9.097 8.177 1.00 2.50 C ATOM 520 O THR A 34 -22.580 9.711 8.434 1.00 2.78 O ATOM 521 CB THR A 34 -23.143 6.708 7.556 1.00 1.83 C ATOM 522 OG1 THR A 34 -21.710 6.685 7.534 1.00 2.42 O ATOM 523 CG2 THR A 34 -23.689 5.575 6.700 1.00 1.73 C ATOM 0 H THR A 34 -21.867 8.279 5.997 1.00 1.46 H new ATOM 0 HA THR A 34 -24.685 7.952 6.719 1.00 1.91 H new ATOM 0 HB THR A 34 -23.492 6.568 8.579 1.00 1.83 H new ATOM 0 HG1 THR A 34 -21.362 7.363 8.151 1.00 2.42 H new ATOM 0 HG21 THR A 34 -23.315 4.623 7.076 1.00 1.73 H new ATOM 0 HG22 THR A 34 -24.778 5.579 6.742 1.00 1.73 H new ATOM 0 HG23 THR A 34 -23.365 5.710 5.668 1.00 1.73 H new ATOM 531 N GLU A 35 -24.749 9.301 8.830 1.00 3.15 N ATOM 532 CA GLU A 35 -24.844 10.281 9.899 1.00 3.98 C ATOM 533 C GLU A 35 -25.190 9.606 11.219 1.00 4.05 C ATOM 534 O GLU A 35 -24.317 9.326 12.041 1.00 4.33 O ATOM 535 CB GLU A 35 -25.898 11.345 9.576 1.00 4.75 C ATOM 536 CG GLU A 35 -25.658 12.080 8.268 1.00 5.08 C ATOM 537 CD GLU A 35 -26.612 13.241 8.085 1.00 5.84 C ATOM 538 OE1 GLU A 35 -26.305 14.344 8.582 1.00 6.34 O ATOM 539 OE2 GLU A 35 -27.678 13.060 7.459 1.00 6.16 O ATOM 0 H GLU A 35 -25.616 8.800 8.638 1.00 3.15 H new ATOM 0 HA GLU A 35 -23.872 10.765 9.990 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -26.878 10.870 9.539 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -25.926 12.071 10.388 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -24.632 12.447 8.242 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -25.770 11.385 7.436 1.00 5.08 H new ATOM 546 N GLN A 36 -26.469 9.322 11.406 1.00 4.07 N ATOM 547 CA GLN A 36 -26.943 8.720 12.640 1.00 4.38 C ATOM 548 C GLN A 36 -27.690 7.423 12.354 1.00 4.02 C ATOM 549 O GLN A 36 -28.177 6.757 13.266 1.00 4.41 O ATOM 550 CB GLN A 36 -27.848 9.701 13.391 1.00 5.16 C ATOM 551 CG GLN A 36 -29.147 10.004 12.664 1.00 5.59 C ATOM 552 CD GLN A 36 -29.950 11.112 13.311 1.00 6.26 C ATOM 553 OE1 GLN A 36 -31.179 11.094 13.283 1.00 6.59 O ATOM 554 NE2 GLN A 36 -29.267 12.090 13.887 1.00 6.79 N ATOM 0 H GLN A 36 -27.199 9.500 10.716 1.00 4.07 H new ATOM 0 HA GLN A 36 -26.081 8.487 13.265 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -28.078 9.291 14.374 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -27.306 10.632 13.553 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -28.923 10.281 11.634 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -29.754 9.099 12.626 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -28.247 12.068 13.889 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -29.761 12.865 14.329 1.00 6.79 H new ATOM 563 N GLU A 37 -27.775 7.068 11.079 1.00 3.65 N ATOM 564 CA GLU A 37 -28.463 5.858 10.668 1.00 3.72 C ATOM 565 C GLU A 37 -27.456 4.759 10.338 1.00 3.46 C ATOM 566 O GLU A 37 -26.244 4.972 10.427 1.00 3.48 O ATOM 567 CB GLU A 37 -29.401 6.139 9.485 1.00 4.27 C ATOM 568 CG GLU A 37 -28.973 7.295 8.592 1.00 4.95 C ATOM 569 CD GLU A 37 -27.652 7.057 7.898 1.00 5.60 C ATOM 570 OE1 GLU A 37 -27.654 6.432 6.825 1.00 5.76 O ATOM 571 OE2 GLU A 37 -26.607 7.488 8.434 1.00 6.24 O ATOM 0 H GLU A 37 -27.373 7.605 10.311 1.00 3.65 H new ATOM 0 HA GLU A 37 -29.079 5.508 11.497 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -29.476 5.237 8.877 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -30.399 6.347 9.872 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -29.744 7.470 7.841 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -28.902 8.202 9.193 1.00 4.95 H new ATOM 578 N ALA A 38 -27.958 3.588 9.973 1.00 3.77 N ATOM 579 CA ALA A 38 -27.132 2.390 9.905 1.00 4.17 C ATOM 580 C ALA A 38 -26.536 2.152 8.519 1.00 4.07 C ATOM 581 O ALA A 38 -25.712 1.254 8.344 1.00 4.46 O ATOM 582 CB ALA A 38 -27.941 1.182 10.342 1.00 4.95 C ATOM 0 H ALA A 38 -28.935 3.441 9.719 1.00 3.77 H new ATOM 0 HA ALA A 38 -26.292 2.543 10.583 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -27.319 0.289 10.289 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -28.284 1.325 11.367 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -28.802 1.063 9.684 1.00 4.95 H new ATOM 588 N GLY A 39 -26.972 2.933 7.540 1.00 4.00 N ATOM 589 CA GLY A 39 -26.428 2.824 6.198 1.00 4.22 C ATOM 590 C GLY A 39 -26.810 1.524 5.517 1.00 4.22 C ATOM 591 O GLY A 39 -26.155 1.098 4.566 1.00 4.68 O ATOM 0 H GLY A 39 -27.696 3.643 7.651 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -26.782 3.662 5.597 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -25.342 2.901 6.243 1.00 4.22 H new ATOM 595 N GLY A 40 -27.867 0.890 6.004 1.00 4.14 N ATOM 596 CA GLY A 40 -28.304 -0.372 5.437 1.00 4.55 C ATOM 597 C GLY A 40 -27.577 -1.562 6.034 1.00 4.28 C ATOM 598 O GLY A 40 -27.881 -2.711 5.711 1.00 4.37 O ATOM 0 H GLY A 40 -28.432 1.227 6.784 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -29.376 -0.487 5.599 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -28.144 -0.357 4.359 1.00 4.55 H new ATOM 602 N ILE A 41 -26.626 -1.285 6.913 1.00 4.35 N ATOM 603 CA ILE A 41 -25.823 -2.330 7.532 1.00 4.40 C ATOM 604 C ILE A 41 -26.187 -2.488 9.006 1.00 4.54 C ATOM 605 O ILE A 41 -26.434 -1.505 9.703 1.00 5.04 O ATOM 606 CB ILE A 41 -24.315 -2.015 7.405 1.00 4.99 C ATOM 607 CG1 ILE A 41 -23.913 -1.918 5.928 1.00 5.27 C ATOM 608 CG2 ILE A 41 -23.474 -3.068 8.122 1.00 5.57 C ATOM 609 CD1 ILE A 41 -24.152 -3.193 5.144 1.00 5.56 C ATOM 0 H ILE A 41 -26.390 -0.340 7.215 1.00 4.35 H new ATOM 0 HA ILE A 41 -26.035 -3.263 7.009 1.00 4.40 H new ATOM 0 HB ILE A 41 -24.127 -1.053 7.881 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -24.471 -1.106 5.462 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -22.857 -1.656 5.865 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -22.417 -2.823 8.017 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -23.739 -3.087 9.179 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -23.665 -4.047 7.682 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -23.844 -3.047 4.109 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -23.573 -4.005 5.584 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -25.212 -3.446 5.175 1.00 5.56 H new ATOM 621 N THR A 42 -26.244 -3.730 9.463 1.00 4.43 N ATOM 622 CA THR A 42 -26.534 -4.025 10.857 1.00 4.86 C ATOM 623 C THR A 42 -25.233 -4.338 11.611 1.00 4.64 C ATOM 624 O THR A 42 -24.157 -3.961 11.150 1.00 4.68 O ATOM 625 CB THR A 42 -27.541 -5.203 10.962 1.00 5.21 C ATOM 626 OG1 THR A 42 -27.891 -5.465 12.327 1.00 5.55 O ATOM 627 CG2 THR A 42 -26.979 -6.467 10.324 1.00 5.93 C ATOM 0 H THR A 42 -26.092 -4.555 8.883 1.00 4.43 H new ATOM 0 HA THR A 42 -26.993 -3.150 11.318 1.00 4.86 H new ATOM 0 HB THR A 42 -28.440 -4.908 10.420 1.00 5.21 H new ATOM 0 HG1 THR A 42 -28.527 -6.210 12.364 1.00 5.55 H new ATOM 0 HG21 THR A 42 -27.706 -7.274 10.413 1.00 5.93 H new ATOM 0 HG22 THR A 42 -26.771 -6.281 9.270 1.00 5.93 H new ATOM 0 HG23 THR A 42 -26.057 -6.752 10.831 1.00 5.93 H new ATOM 635 N GLN A 43 -25.318 -5.001 12.759 1.00 4.73 N ATOM 636 CA GLN A 43 -24.120 -5.362 13.514 1.00 4.79 C ATOM 637 C GLN A 43 -23.362 -6.474 12.798 1.00 4.45 C ATOM 638 O GLN A 43 -22.167 -6.664 13.005 1.00 4.74 O ATOM 639 CB GLN A 43 -24.461 -5.792 14.945 1.00 5.52 C ATOM 640 CG GLN A 43 -25.182 -4.725 15.753 1.00 5.96 C ATOM 641 CD GLN A 43 -26.678 -4.698 15.496 1.00 6.23 C ATOM 642 OE1 GLN A 43 -27.302 -3.639 15.523 1.00 6.39 O ATOM 643 NE2 GLN A 43 -27.267 -5.863 15.274 1.00 6.63 N ATOM 0 H GLN A 43 -26.195 -5.298 13.186 1.00 4.73 H new ATOM 0 HA GLN A 43 -23.487 -4.476 13.575 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -25.082 -6.687 14.907 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -23.541 -6.065 15.461 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -25.004 -4.898 16.814 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -24.760 -3.749 15.514 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -26.714 -6.720 15.259 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -28.274 -5.904 15.117 1.00 6.63 H new ATOM 652 N HIS A 44 -24.076 -7.206 11.950 1.00 4.15 N ATOM 653 CA HIS A 44 -23.449 -8.195 11.088 1.00 4.05 C ATOM 654 C HIS A 44 -22.713 -7.472 9.971 1.00 3.55 C ATOM 655 O HIS A 44 -23.347 -6.829 9.127 1.00 3.72 O ATOM 656 CB HIS A 44 -24.484 -9.162 10.504 1.00 4.61 C ATOM 657 CG HIS A 44 -25.123 -10.054 11.519 1.00 5.23 C ATOM 658 ND1 HIS A 44 -24.733 -11.359 11.732 1.00 5.76 N ATOM 659 CD2 HIS A 44 -26.143 -9.826 12.374 1.00 5.72 C ATOM 660 CE1 HIS A 44 -25.488 -11.890 12.675 1.00 6.54 C ATOM 661 NE2 HIS A 44 -26.352 -10.981 13.082 1.00 6.49 N ATOM 0 H HIS A 44 -25.088 -7.132 11.843 1.00 4.15 H new ATOM 0 HA HIS A 44 -22.748 -8.786 11.677 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -25.261 -8.586 10.001 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -24.002 -9.779 9.745 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -26.693 -8.903 12.480 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -25.411 -12.900 13.050 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -27.059 -11.115 13.805 1.00 6.49 H new ATOM 670 N ILE A 45 -21.387 -7.585 9.985 1.00 3.31 N ATOM 671 CA ILE A 45 -20.513 -6.831 9.099 1.00 3.06 C ATOM 672 C ILE A 45 -20.414 -5.388 9.587 1.00 2.33 C ATOM 673 O ILE A 45 -21.338 -4.859 10.204 1.00 2.50 O ATOM 674 CB ILE A 45 -20.995 -6.871 7.629 1.00 3.87 C ATOM 675 CG1 ILE A 45 -21.144 -8.320 7.156 1.00 4.51 C ATOM 676 CG2 ILE A 45 -20.063 -6.106 6.699 1.00 4.43 C ATOM 677 CD1 ILE A 45 -19.890 -9.143 7.342 1.00 5.17 C ATOM 0 H ILE A 45 -20.887 -8.209 10.619 1.00 3.31 H new ATOM 0 HA ILE A 45 -19.528 -7.297 9.124 1.00 3.06 H new ATOM 0 HB ILE A 45 -21.967 -6.379 7.593 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -21.963 -8.790 7.701 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -21.419 -8.324 6.101 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -20.441 -6.162 5.678 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -20.013 -5.063 7.011 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -19.066 -6.545 6.741 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -20.065 -10.158 6.987 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -19.074 -8.696 6.775 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -19.625 -9.169 8.399 1.00 5.17 H new ATOM 689 N GLY A 46 -19.285 -4.769 9.329 1.00 2.18 N ATOM 690 CA GLY A 46 -19.040 -3.424 9.821 1.00 2.10 C ATOM 691 C GLY A 46 -18.788 -2.445 8.702 1.00 1.86 C ATOM 692 O GLY A 46 -18.658 -1.240 8.931 1.00 2.51 O ATOM 0 H GLY A 46 -18.522 -5.170 8.784 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -19.897 -3.091 10.406 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -18.181 -3.435 10.492 1.00 2.10 H new ATOM 696 N ALA A 47 -18.717 -2.968 7.489 1.00 1.36 N ATOM 697 CA ALA A 47 -18.469 -2.153 6.313 1.00 1.12 C ATOM 698 C ALA A 47 -19.764 -1.556 5.785 1.00 1.01 C ATOM 699 O ALA A 47 -20.824 -1.756 6.377 1.00 1.17 O ATOM 700 CB ALA A 47 -17.807 -2.986 5.240 1.00 1.29 C ATOM 0 H ALA A 47 -18.829 -3.963 7.293 1.00 1.36 H new ATOM 0 HA ALA A 47 -17.805 -1.335 6.594 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -17.624 -2.368 4.361 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -16.860 -3.375 5.614 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -18.459 -3.817 4.970 1.00 1.29 H new ATOM 706 N TYR A 48 -19.680 -0.842 4.665 1.00 0.85 N ATOM 707 CA TYR A 48 -20.834 -0.144 4.124 1.00 0.89 C ATOM 708 C TYR A 48 -20.465 0.531 2.807 1.00 0.81 C ATOM 709 O TYR A 48 -19.298 0.538 2.409 1.00 0.73 O ATOM 710 CB TYR A 48 -21.351 0.893 5.129 1.00 0.97 C ATOM 711 CG TYR A 48 -20.480 2.116 5.250 1.00 0.94 C ATOM 712 CD1 TYR A 48 -19.126 2.016 5.558 1.00 0.92 C ATOM 713 CD2 TYR A 48 -21.021 3.373 5.047 1.00 1.20 C ATOM 714 CE1 TYR A 48 -18.342 3.145 5.651 1.00 1.15 C ATOM 715 CE2 TYR A 48 -20.246 4.504 5.143 1.00 1.40 C ATOM 716 CZ TYR A 48 -18.908 4.388 5.445 1.00 1.37 C ATOM 717 OH TYR A 48 -18.131 5.519 5.531 1.00 1.70 O ATOM 0 H TYR A 48 -18.825 -0.734 4.119 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.627 -0.868 3.938 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.354 1.202 4.834 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.438 0.423 6.109 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.686 1.044 5.726 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -22.070 3.467 4.809 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -17.291 3.059 5.884 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -20.684 5.478 4.982 1.00 1.40 H new ATOM 0 HH TYR A 48 -18.684 6.310 5.358 1.00 1.70 H new ATOM 727 N GLN A 49 -21.462 1.093 2.137 1.00 0.91 N ATOM 728 CA GLN A 49 -21.247 1.772 0.867 1.00 0.89 C ATOM 729 C GLN A 49 -21.211 3.283 1.074 1.00 0.90 C ATOM 730 O GLN A 49 -22.164 3.873 1.591 1.00 1.02 O ATOM 731 CB GLN A 49 -22.351 1.396 -0.120 1.00 1.02 C ATOM 732 CG GLN A 49 -22.440 -0.099 -0.373 1.00 1.09 C ATOM 733 CD GLN A 49 -23.597 -0.482 -1.272 1.00 1.45 C ATOM 734 OE1 GLN A 49 -23.466 -0.533 -2.493 1.00 1.87 O ATOM 735 NE2 GLN A 49 -24.744 -0.765 -0.673 1.00 1.91 N ATOM 0 H GLN A 49 -22.432 1.092 2.454 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.288 1.457 0.457 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -23.308 1.751 0.262 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -22.175 1.909 -1.066 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -21.509 -0.441 -0.824 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -22.542 -0.617 0.580 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -24.815 -0.712 0.343 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -25.556 -1.036 -1.228 1.00 1.91 H new ATOM 744 N VAL A 50 -20.112 3.895 0.671 1.00 0.85 N ATOM 745 CA VAL A 50 -19.906 5.327 0.861 1.00 0.91 C ATOM 746 C VAL A 50 -20.528 6.125 -0.296 1.00 0.96 C ATOM 747 O VAL A 50 -20.950 5.550 -1.296 1.00 1.01 O ATOM 748 CB VAL A 50 -18.393 5.641 0.993 1.00 0.93 C ATOM 749 CG1 VAL A 50 -18.134 7.089 1.383 1.00 1.53 C ATOM 750 CG2 VAL A 50 -17.762 4.710 2.012 1.00 1.34 C ATOM 0 H VAL A 50 -19.339 3.420 0.205 1.00 0.85 H new ATOM 0 HA VAL A 50 -20.403 5.627 1.784 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.940 5.483 0.014 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -17.060 7.258 1.462 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -18.550 7.750 0.623 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -18.606 7.297 2.343 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -16.699 4.935 2.101 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -18.244 4.849 2.979 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.889 3.677 1.688 1.00 1.34 H new ATOM 760 N THR A 51 -20.599 7.441 -0.131 1.00 1.09 N ATOM 761 CA THR A 51 -21.173 8.352 -1.106 1.00 1.16 C ATOM 762 C THR A 51 -20.633 9.755 -0.830 1.00 1.19 C ATOM 763 O THR A 51 -21.256 10.538 -0.118 1.00 1.28 O ATOM 764 CB THR A 51 -22.718 8.365 -1.025 1.00 1.29 C ATOM 765 OG1 THR A 51 -23.238 7.046 -1.250 1.00 1.51 O ATOM 766 CG2 THR A 51 -23.316 9.317 -2.050 1.00 1.42 C ATOM 0 H THR A 51 -20.250 7.912 0.704 1.00 1.09 H new ATOM 0 HA THR A 51 -20.896 8.021 -2.107 1.00 1.16 H new ATOM 0 HB THR A 51 -22.993 8.706 -0.027 1.00 1.29 H new ATOM 0 HG1 THR A 51 -24.216 7.066 -1.195 1.00 1.51 H new ATOM 0 HG21 THR A 51 -24.403 9.304 -1.968 1.00 1.42 H new ATOM 0 HG22 THR A 51 -22.950 10.327 -1.865 1.00 1.42 H new ATOM 0 HG23 THR A 51 -23.024 9.003 -3.052 1.00 1.42 H new ATOM 774 N VAL A 52 -19.442 10.045 -1.346 1.00 1.36 N ATOM 775 CA VAL A 52 -18.851 11.373 -1.197 1.00 1.62 C ATOM 776 C VAL A 52 -19.703 12.398 -1.933 1.00 1.81 C ATOM 777 O VAL A 52 -20.208 13.356 -1.350 1.00 2.11 O ATOM 778 CB VAL A 52 -17.390 11.417 -1.722 1.00 1.88 C ATOM 779 CG1 VAL A 52 -17.262 10.751 -3.089 1.00 1.98 C ATOM 780 CG2 VAL A 52 -16.889 12.854 -1.787 1.00 2.27 C ATOM 0 H VAL A 52 -18.869 9.383 -1.869 1.00 1.36 H new ATOM 0 HA VAL A 52 -18.824 11.612 -0.134 1.00 1.62 H new ATOM 0 HB VAL A 52 -16.772 10.857 -1.020 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -16.226 10.802 -3.423 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -17.569 9.708 -3.016 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -17.900 11.267 -3.806 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -15.864 12.865 -2.157 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -17.524 13.431 -2.460 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -16.920 13.296 -0.791 1.00 2.27 H new ATOM 790 N ASN A 53 -19.854 12.165 -3.214 1.00 1.81 N ATOM 791 CA ASN A 53 -20.731 12.929 -4.052 1.00 1.99 C ATOM 792 C ASN A 53 -21.903 12.051 -4.453 1.00 1.80 C ATOM 793 O ASN A 53 -23.066 12.382 -4.217 1.00 1.82 O ATOM 794 CB ASN A 53 -19.967 13.444 -5.278 1.00 2.39 C ATOM 795 CG ASN A 53 -18.951 12.474 -5.842 1.00 3.10 C ATOM 796 OD1 ASN A 53 -19.050 11.259 -5.674 1.00 3.68 O ATOM 797 ND2 ASN A 53 -17.965 13.012 -6.532 1.00 3.42 N ATOM 0 H ASN A 53 -19.358 11.423 -3.708 1.00 1.81 H new ATOM 0 HA ASN A 53 -21.110 13.798 -3.515 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -20.685 13.692 -6.059 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -19.456 14.369 -5.009 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -17.250 12.416 -6.949 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -17.917 14.024 -6.649 1.00 3.42 H new ATOM 804 N ASP A 54 -21.560 10.928 -5.058 1.00 1.81 N ATOM 805 CA ASP A 54 -22.507 9.856 -5.337 1.00 1.82 C ATOM 806 C ASP A 54 -21.767 8.598 -5.763 1.00 2.08 C ATOM 807 O ASP A 54 -22.226 7.842 -6.613 1.00 2.23 O ATOM 808 CB ASP A 54 -23.517 10.264 -6.408 1.00 2.01 C ATOM 809 CG ASP A 54 -22.873 10.595 -7.742 1.00 2.47 C ATOM 810 OD1 ASP A 54 -22.423 11.746 -7.917 1.00 2.99 O ATOM 811 OD2 ASP A 54 -22.823 9.711 -8.623 1.00 2.69 O ATOM 0 H ASP A 54 -20.610 10.730 -5.373 1.00 1.81 H new ATOM 0 HA ASP A 54 -23.059 9.652 -4.420 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -24.234 9.455 -6.549 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -24.078 11.130 -6.058 1.00 2.01 H new ATOM 816 N LYS A 55 -20.629 8.359 -5.141 1.00 2.27 N ATOM 817 CA LYS A 55 -19.812 7.218 -5.511 1.00 2.75 C ATOM 818 C LYS A 55 -19.941 6.131 -4.471 1.00 1.92 C ATOM 819 O LYS A 55 -19.329 6.203 -3.404 1.00 2.45 O ATOM 820 CB LYS A 55 -18.345 7.617 -5.705 1.00 4.02 C ATOM 821 CG LYS A 55 -17.966 7.841 -7.164 1.00 5.04 C ATOM 822 CD LYS A 55 -18.698 9.029 -7.762 1.00 5.92 C ATOM 823 CE LYS A 55 -18.629 9.031 -9.281 1.00 6.66 C ATOM 824 NZ LYS A 55 -17.233 8.987 -9.789 1.00 7.36 N ATOM 0 H LYS A 55 -20.252 8.931 -4.386 1.00 2.27 H new ATOM 0 HA LYS A 55 -20.173 6.836 -6.466 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -18.147 8.529 -5.142 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -17.706 6.839 -5.287 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -16.891 8.002 -7.239 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -18.196 6.945 -7.741 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -19.741 9.009 -7.446 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -18.266 9.953 -7.378 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -19.180 8.173 -9.667 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -19.123 9.925 -9.662 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -17.240 9.024 -10.828 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -16.702 9.800 -9.417 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -16.778 8.105 -9.478 1.00 7.36 H new ATOM 838 N LYS A 56 -20.764 5.138 -4.786 1.00 1.27 N ATOM 839 CA LYS A 56 -21.032 4.035 -3.874 1.00 1.10 C ATOM 840 C LYS A 56 -19.834 3.098 -3.768 1.00 1.03 C ATOM 841 O LYS A 56 -19.736 2.101 -4.480 1.00 1.91 O ATOM 842 CB LYS A 56 -22.291 3.259 -4.293 1.00 1.91 C ATOM 843 CG LYS A 56 -22.575 3.251 -5.794 1.00 2.63 C ATOM 844 CD LYS A 56 -23.632 4.283 -6.166 1.00 3.33 C ATOM 845 CE LYS A 56 -24.047 4.173 -7.629 1.00 3.92 C ATOM 846 NZ LYS A 56 -23.054 4.784 -8.552 1.00 4.46 N ATOM 0 H LYS A 56 -21.261 5.075 -5.675 1.00 1.27 H new ATOM 0 HA LYS A 56 -21.211 4.465 -2.889 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -22.195 2.228 -3.951 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -23.151 3.687 -3.778 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -21.655 3.457 -6.341 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -22.910 2.259 -6.097 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -24.507 4.151 -5.530 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -23.246 5.284 -5.973 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -24.179 3.122 -7.887 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -25.013 4.659 -7.767 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -22.953 4.187 -9.397 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -23.379 5.731 -8.834 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -22.135 4.862 -8.071 1.00 4.46 H new ATOM 860 N ILE A 57 -18.920 3.443 -2.874 1.00 0.92 N ATOM 861 CA ILE A 57 -17.735 2.635 -2.635 1.00 0.72 C ATOM 862 C ILE A 57 -17.960 1.713 -1.449 1.00 0.69 C ATOM 863 O ILE A 57 -18.049 2.168 -0.308 1.00 0.80 O ATOM 864 CB ILE A 57 -16.494 3.514 -2.356 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.364 4.616 -3.409 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.239 2.653 -2.334 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.272 5.619 -3.101 1.00 0.75 C ATOM 0 H ILE A 57 -18.978 4.283 -2.299 1.00 0.92 H new ATOM 0 HA ILE A 57 -17.553 2.050 -3.537 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.616 3.986 -1.381 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -16.164 4.160 -4.379 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.315 5.141 -3.494 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.370 3.281 -2.137 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.328 1.900 -1.551 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -15.119 2.160 -3.299 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.236 6.371 -3.889 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.481 6.103 -2.147 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.312 5.106 -3.045 1.00 0.75 H new ATOM 879 N THR A 58 -18.076 0.426 -1.723 1.00 0.71 N ATOM 880 CA THR A 58 -18.247 -0.554 -0.670 1.00 0.71 C ATOM 881 C THR A 58 -16.892 -0.992 -0.131 1.00 0.71 C ATOM 882 O THR A 58 -16.247 -1.886 -0.687 1.00 0.82 O ATOM 883 CB THR A 58 -19.012 -1.790 -1.171 1.00 0.85 C ATOM 884 OG1 THR A 58 -20.076 -1.381 -2.040 1.00 0.96 O ATOM 885 CG2 THR A 58 -19.586 -2.577 0.000 1.00 0.86 C ATOM 0 H THR A 58 -18.055 0.037 -2.666 1.00 0.71 H new ATOM 0 HA THR A 58 -18.827 -0.083 0.124 1.00 0.71 H new ATOM 0 HB THR A 58 -18.318 -2.429 -1.716 1.00 0.85 H new ATOM 0 HG1 THR A 58 -20.560 -2.171 -2.359 1.00 0.96 H new ATOM 0 HG21 THR A 58 -20.124 -3.448 -0.375 1.00 0.86 H new ATOM 0 HG22 THR A 58 -18.775 -2.904 0.651 1.00 0.86 H new ATOM 0 HG23 THR A 58 -20.271 -1.943 0.564 1.00 0.86 H new ATOM 893 N PHE A 59 -16.454 -0.338 0.933 1.00 0.67 N ATOM 894 CA PHE A 59 -15.194 -0.684 1.582 1.00 0.77 C ATOM 895 C PHE A 59 -15.324 -1.997 2.344 1.00 0.96 C ATOM 896 O PHE A 59 -15.646 -1.983 3.529 1.00 1.57 O ATOM 897 CB PHE A 59 -14.753 0.419 2.553 1.00 0.80 C ATOM 898 CG PHE A 59 -14.248 1.669 1.895 1.00 0.72 C ATOM 899 CD1 PHE A 59 -12.904 1.815 1.598 1.00 1.07 C ATOM 900 CD2 PHE A 59 -15.109 2.706 1.595 1.00 1.04 C ATOM 901 CE1 PHE A 59 -12.431 2.972 1.010 1.00 1.10 C ATOM 902 CE2 PHE A 59 -14.642 3.869 1.009 1.00 1.06 C ATOM 903 CZ PHE A 59 -13.302 4.001 0.718 1.00 0.80 C ATOM 0 H PHE A 59 -16.952 0.438 1.369 1.00 0.67 H new ATOM 0 HA PHE A 59 -14.442 -0.791 0.800 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -15.595 0.677 3.195 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -13.970 0.023 3.199 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -12.217 1.015 1.829 1.00 1.07 H new ATOM 0 HD2 PHE A 59 -16.161 2.608 1.821 1.00 1.04 H new ATOM 0 HE1 PHE A 59 -11.381 3.071 0.779 1.00 1.10 H new ATOM 0 HE2 PHE A 59 -15.327 4.672 0.780 1.00 1.06 H new ATOM 0 HZ PHE A 59 -12.934 4.908 0.262 1.00 0.80 H new ATOM 913 N LEU A 60 -15.062 -3.116 1.653 1.00 1.19 N ATOM 914 CA LEU A 60 -15.173 -4.463 2.235 1.00 1.38 C ATOM 915 C LEU A 60 -16.642 -4.889 2.340 1.00 1.95 C ATOM 916 O LEU A 60 -17.542 -4.050 2.344 1.00 2.65 O ATOM 917 CB LEU A 60 -14.482 -4.519 3.615 1.00 1.84 C ATOM 918 CG LEU A 60 -14.650 -5.820 4.405 1.00 2.35 C ATOM 919 CD1 LEU A 60 -13.975 -6.978 3.693 1.00 2.89 C ATOM 920 CD2 LEU A 60 -14.091 -5.662 5.810 1.00 3.21 C ATOM 0 H LEU A 60 -14.768 -3.114 0.676 1.00 1.19 H new ATOM 0 HA LEU A 60 -14.665 -5.165 1.574 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -13.416 -4.341 3.472 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -14.863 -3.698 4.222 1.00 1.84 H new ATOM 0 HG LEU A 60 -15.715 -6.040 4.475 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -14.109 -7.890 4.274 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -14.420 -7.108 2.707 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -12.911 -6.769 3.586 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -14.218 -6.595 6.359 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -13.031 -5.415 5.754 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -14.623 -4.862 6.326 1.00 3.21 H new ATOM 932 N ASP A 61 -16.883 -6.198 2.390 1.00 2.43 N ATOM 933 CA ASP A 61 -18.240 -6.716 2.536 1.00 3.40 C ATOM 934 C ASP A 61 -18.249 -8.045 3.291 1.00 3.45 C ATOM 935 O ASP A 61 -18.583 -8.089 4.469 1.00 3.73 O ATOM 936 CB ASP A 61 -18.918 -6.888 1.174 1.00 4.36 C ATOM 937 CG ASP A 61 -20.316 -7.462 1.305 1.00 5.14 C ATOM 938 OD1 ASP A 61 -21.252 -6.704 1.632 1.00 5.61 O ATOM 939 OD2 ASP A 61 -20.483 -8.683 1.102 1.00 5.55 O ATOM 0 H ASP A 61 -16.160 -6.915 2.332 1.00 2.43 H new ATOM 0 HA ASP A 61 -18.802 -5.983 3.115 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -18.968 -5.923 0.669 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -18.313 -7.544 0.548 1.00 4.36 H new ATOM 944 N THR A 62 -17.869 -9.126 2.617 1.00 3.65 N ATOM 945 CA THR A 62 -17.911 -10.449 3.225 1.00 4.03 C ATOM 946 C THR A 62 -16.515 -10.947 3.588 1.00 4.27 C ATOM 947 O THR A 62 -15.760 -11.380 2.722 1.00 4.71 O ATOM 948 CB THR A 62 -18.567 -11.484 2.287 1.00 4.83 C ATOM 949 OG1 THR A 62 -19.894 -11.070 1.927 1.00 5.19 O ATOM 950 CG2 THR A 62 -18.627 -12.854 2.951 1.00 5.45 C ATOM 0 H THR A 62 -17.530 -9.111 1.655 1.00 3.65 H new ATOM 0 HA THR A 62 -18.508 -10.347 4.131 1.00 4.03 H new ATOM 0 HB THR A 62 -17.956 -11.552 1.387 1.00 4.83 H new ATOM 0 HG1 THR A 62 -19.851 -10.219 1.443 1.00 5.19 H new ATOM 0 HG21 THR A 62 -19.093 -13.568 2.272 1.00 5.45 H new ATOM 0 HG22 THR A 62 -17.617 -13.187 3.190 1.00 5.45 H new ATOM 0 HG23 THR A 62 -19.214 -12.789 3.867 1.00 5.45 H new ATOM 958 N PRO A 63 -16.152 -10.890 4.876 1.00 4.49 N ATOM 959 CA PRO A 63 -14.913 -11.449 5.383 1.00 5.20 C ATOM 960 C PRO A 63 -15.127 -12.835 5.999 1.00 5.56 C ATOM 961 O PRO A 63 -14.489 -13.193 6.989 1.00 6.11 O ATOM 962 CB PRO A 63 -14.518 -10.434 6.459 1.00 5.69 C ATOM 963 CG PRO A 63 -15.798 -9.766 6.884 1.00 5.34 C ATOM 964 CD PRO A 63 -16.893 -10.239 5.952 1.00 4.58 C ATOM 0 HA PRO A 63 -14.159 -11.596 4.609 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -14.036 -10.927 7.303 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -13.808 -9.705 6.067 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -16.038 -10.020 7.916 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -15.698 -8.682 6.838 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -17.574 -10.930 6.448 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -17.495 -9.409 5.582 1.00 4.58 H new ATOM 972 N GLY A 64 -16.028 -13.608 5.399 1.00 5.49 N ATOM 973 CA GLY A 64 -16.390 -14.909 5.942 1.00 6.04 C ATOM 974 C GLY A 64 -15.558 -16.038 5.370 1.00 5.99 C ATOM 975 O GLY A 64 -16.097 -17.076 4.982 1.00 6.36 O ATOM 0 H GLY A 64 -16.518 -13.356 4.541 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -16.272 -14.890 7.025 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -17.443 -15.102 5.739 1.00 6.04 H new ATOM 979 N HIS A 65 -14.246 -15.815 5.326 1.00 5.85 N ATOM 980 CA HIS A 65 -13.265 -16.770 4.801 1.00 6.04 C ATOM 981 C HIS A 65 -11.963 -16.015 4.609 1.00 5.42 C ATOM 982 O HIS A 65 -10.884 -16.457 4.992 1.00 5.51 O ATOM 983 CB HIS A 65 -13.710 -17.360 3.455 1.00 6.53 C ATOM 984 CG HIS A 65 -12.871 -18.514 2.990 1.00 7.30 C ATOM 985 ND1 HIS A 65 -13.235 -19.823 3.190 1.00 8.05 N ATOM 986 CD2 HIS A 65 -11.693 -18.550 2.322 1.00 7.71 C ATOM 987 CE1 HIS A 65 -12.322 -20.617 2.668 1.00 8.78 C ATOM 988 NE2 HIS A 65 -11.376 -19.871 2.135 1.00 8.61 N ATOM 0 H HIS A 65 -13.824 -14.949 5.660 1.00 5.85 H new ATOM 0 HA HIS A 65 -13.156 -17.599 5.500 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -14.746 -17.687 3.538 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -13.683 -16.576 2.699 1.00 6.53 H new ATOM 0 HD2 HIS A 65 -11.113 -17.699 1.998 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -12.345 -21.697 2.676 1.00 8.78 H new ATOM 0 HE2 HIS A 65 -10.543 -20.219 1.660 1.00 8.61 H new ATOM 997 N GLU A 66 -12.125 -14.864 3.995 1.00 5.13 N ATOM 998 CA GLU A 66 -11.078 -13.890 3.798 1.00 4.83 C ATOM 999 C GLU A 66 -11.804 -12.572 3.616 1.00 4.30 C ATOM 1000 O GLU A 66 -13.004 -12.584 3.341 1.00 4.72 O ATOM 1001 CB GLU A 66 -10.238 -14.237 2.555 1.00 5.31 C ATOM 1002 CG GLU A 66 -8.755 -13.900 2.675 1.00 5.97 C ATOM 1003 CD GLU A 66 -8.484 -12.417 2.834 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -8.459 -11.931 3.984 1.00 6.87 O ATOM 1005 OE2 GLU A 66 -8.284 -11.734 1.808 1.00 7.05 O ATOM 0 H GLU A 66 -13.021 -14.572 3.606 1.00 5.13 H new ATOM 0 HA GLU A 66 -10.381 -13.858 4.635 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -10.339 -15.303 2.350 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -10.649 -13.707 1.696 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -8.338 -14.432 3.530 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -8.235 -14.264 1.789 1.00 5.97 H new ATOM 1012 N ALA A 67 -11.136 -11.455 3.800 1.00 3.82 N ATOM 1013 CA ALA A 67 -11.790 -10.173 3.607 1.00 3.70 C ATOM 1014 C ALA A 67 -11.994 -9.916 2.116 1.00 2.58 C ATOM 1015 O ALA A 67 -12.864 -9.143 1.721 1.00 2.95 O ATOM 1016 CB ALA A 67 -10.997 -9.059 4.269 1.00 4.55 C ATOM 0 H ALA A 67 -10.156 -11.403 4.078 1.00 3.82 H new ATOM 0 HA ALA A 67 -12.770 -10.195 4.084 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -11.505 -8.108 4.112 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -10.917 -9.255 5.338 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -9.999 -9.014 3.833 1.00 4.55 H new ATOM 1022 N PHE A 68 -11.170 -10.568 1.300 1.00 1.79 N ATOM 1023 CA PHE A 68 -11.343 -10.560 -0.137 1.00 1.15 C ATOM 1024 C PHE A 68 -12.585 -11.355 -0.530 1.00 1.77 C ATOM 1025 O PHE A 68 -12.929 -12.347 0.116 1.00 2.37 O ATOM 1026 CB PHE A 68 -10.111 -11.165 -0.807 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.599 -10.337 -1.939 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -10.003 -9.024 -2.062 1.00 1.67 C ATOM 1029 CD2 PHE A 68 -8.708 -10.859 -2.863 1.00 1.08 C ATOM 1030 CE1 PHE A 68 -9.534 -8.232 -3.092 1.00 2.10 C ATOM 1031 CE2 PHE A 68 -8.231 -10.071 -3.898 1.00 1.52 C ATOM 1032 CZ PHE A 68 -8.647 -8.757 -4.011 1.00 2.00 C ATOM 0 H PHE A 68 -10.369 -11.112 1.621 1.00 1.79 H new ATOM 0 HA PHE A 68 -11.469 -9.529 -0.468 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -9.322 -11.284 -0.065 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -10.356 -12.162 -1.174 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -10.695 -8.610 -1.344 1.00 1.67 H new ATOM 0 HD2 PHE A 68 -8.384 -11.885 -2.776 1.00 1.08 H new ATOM 0 HE1 PHE A 68 -9.860 -7.206 -3.178 1.00 2.10 H new ATOM 0 HE2 PHE A 68 -7.536 -10.482 -4.615 1.00 1.52 H new ATOM 0 HZ PHE A 68 -8.278 -8.141 -4.818 1.00 2.00 H new ATOM 1042 N THR A 69 -13.240 -10.922 -1.599 1.00 2.35 N ATOM 1043 CA THR A 69 -14.441 -11.582 -2.093 1.00 3.31 C ATOM 1044 C THR A 69 -14.150 -13.025 -2.497 1.00 3.54 C ATOM 1045 O THR A 69 -13.060 -13.337 -2.988 1.00 3.89 O ATOM 1046 CB THR A 69 -15.020 -10.815 -3.296 1.00 4.11 C ATOM 1047 OG1 THR A 69 -13.961 -10.428 -4.181 1.00 4.46 O ATOM 1048 CG2 THR A 69 -15.777 -9.580 -2.834 1.00 4.90 C ATOM 0 H THR A 69 -12.956 -10.109 -2.145 1.00 2.35 H new ATOM 0 HA THR A 69 -15.172 -11.589 -1.284 1.00 3.31 H new ATOM 0 HB THR A 69 -15.713 -11.471 -3.822 1.00 4.11 H new ATOM 0 HG1 THR A 69 -14.335 -9.942 -4.945 1.00 4.46 H new ATOM 0 HG21 THR A 69 -16.177 -9.053 -3.700 1.00 4.90 H new ATOM 0 HG22 THR A 69 -16.596 -9.879 -2.180 1.00 4.90 H new ATOM 0 HG23 THR A 69 -15.101 -8.921 -2.290 1.00 4.90 H new ATOM 1056 N THR A 70 -15.127 -13.903 -2.295 1.00 3.82 N ATOM 1057 CA THR A 70 -14.953 -15.314 -2.592 1.00 4.35 C ATOM 1058 C THR A 70 -15.049 -15.571 -4.092 1.00 4.41 C ATOM 1059 O THR A 70 -16.055 -16.074 -4.593 1.00 4.95 O ATOM 1060 CB THR A 70 -15.982 -16.183 -1.837 1.00 5.16 C ATOM 1061 OG1 THR A 70 -17.305 -15.665 -2.027 1.00 5.40 O ATOM 1062 CG2 THR A 70 -15.657 -16.233 -0.353 1.00 5.84 C ATOM 0 H THR A 70 -16.046 -13.659 -1.927 1.00 3.82 H new ATOM 0 HA THR A 70 -13.957 -15.596 -2.251 1.00 4.35 H new ATOM 0 HB THR A 70 -15.934 -17.195 -2.240 1.00 5.16 H new ATOM 0 HG1 THR A 70 -17.477 -15.551 -2.985 1.00 5.40 H new ATOM 0 HG21 THR A 70 -16.394 -16.850 0.160 1.00 5.84 H new ATOM 0 HG22 THR A 70 -14.664 -16.661 -0.212 1.00 5.84 H new ATOM 0 HG23 THR A 70 -15.679 -15.224 0.059 1.00 5.84 H new ATOM 1070 N MET A 71 -13.987 -15.216 -4.804 1.00 4.19 N ATOM 1071 CA MET A 71 -13.920 -15.412 -6.245 1.00 4.50 C ATOM 1072 C MET A 71 -13.345 -16.786 -6.576 1.00 4.86 C ATOM 1073 O MET A 71 -12.697 -16.969 -7.605 1.00 5.21 O ATOM 1074 CB MET A 71 -13.063 -14.321 -6.893 1.00 4.42 C ATOM 1075 CG MET A 71 -13.617 -12.915 -6.718 1.00 4.38 C ATOM 1076 SD MET A 71 -12.579 -11.651 -7.480 1.00 4.69 S ATOM 1077 CE MET A 71 -11.058 -11.844 -6.551 1.00 4.34 C ATOM 0 H MET A 71 -13.154 -14.787 -4.402 1.00 4.19 H new ATOM 0 HA MET A 71 -14.933 -15.351 -6.643 1.00 4.50 H new ATOM 0 HB2 MET A 71 -12.060 -14.361 -6.468 1.00 4.42 H new ATOM 0 HB3 MET A 71 -12.967 -14.533 -7.958 1.00 4.42 H new ATOM 0 HG2 MET A 71 -14.616 -12.867 -7.151 1.00 4.38 H new ATOM 0 HG3 MET A 71 -13.720 -12.700 -5.654 1.00 4.38 H new ATOM 0 HE1 MET A 71 -10.459 -10.938 -6.642 1.00 4.34 H new ATOM 0 HE2 MET A 71 -11.293 -12.020 -5.501 1.00 4.34 H new ATOM 0 HE3 MET A 71 -10.496 -12.691 -6.944 1.00 4.34 H new ATOM 1087 N ARG A 72 -13.579 -17.744 -5.690 1.00 5.04 N ATOM 1088 CA ARG A 72 -13.091 -19.101 -5.878 1.00 5.54 C ATOM 1089 C ARG A 72 -14.131 -19.933 -6.613 1.00 5.80 C ATOM 1090 O ARG A 72 -13.839 -20.541 -7.642 1.00 6.36 O ATOM 1091 CB ARG A 72 -12.759 -19.735 -4.524 1.00 5.95 C ATOM 1092 CG ARG A 72 -12.244 -21.164 -4.613 1.00 6.36 C ATOM 1093 CD ARG A 72 -10.945 -21.251 -5.399 1.00 6.73 C ATOM 1094 NE ARG A 72 -10.351 -22.585 -5.324 1.00 7.09 N ATOM 1095 CZ ARG A 72 -9.734 -23.193 -6.337 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -9.623 -22.587 -7.514 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -9.219 -24.402 -6.164 1.00 8.21 N ATOM 0 H ARG A 72 -14.107 -17.604 -4.829 1.00 5.04 H new ATOM 0 HA ARG A 72 -12.182 -19.070 -6.479 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -12.011 -19.122 -4.022 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -13.653 -19.721 -3.900 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -12.087 -21.557 -3.608 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -12.998 -21.793 -5.087 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -11.134 -20.996 -6.442 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -10.238 -20.516 -5.014 1.00 6.73 H new ATOM 0 HE ARG A 72 -10.413 -23.084 -4.437 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -10.011 -21.653 -7.645 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -9.150 -23.056 -8.286 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -9.296 -24.864 -5.258 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -8.746 -24.870 -6.937 1.00 8.21 H new ATOM 1111 N ALA A 73 -15.349 -19.950 -6.081 1.00 5.58 N ATOM 1112 CA ALA A 73 -16.457 -20.636 -6.732 1.00 6.01 C ATOM 1113 C ALA A 73 -16.749 -20.002 -8.087 1.00 5.86 C ATOM 1114 O ALA A 73 -16.888 -20.693 -9.096 1.00 6.36 O ATOM 1115 CB ALA A 73 -17.696 -20.602 -5.850 1.00 6.36 C ATOM 0 H ALA A 73 -15.593 -19.496 -5.201 1.00 5.58 H new ATOM 0 HA ALA A 73 -16.176 -21.677 -6.890 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -18.514 -21.119 -6.352 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -17.482 -21.096 -4.902 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -17.981 -19.567 -5.663 1.00 6.36 H new ATOM 1121 N ARG A 74 -16.820 -18.679 -8.101 1.00 5.40 N ATOM 1122 CA ARG A 74 -17.050 -17.930 -9.325 1.00 5.50 C ATOM 1123 C ARG A 74 -16.772 -16.455 -9.080 1.00 5.18 C ATOM 1124 O ARG A 74 -16.396 -16.069 -7.974 1.00 5.49 O ATOM 1125 CB ARG A 74 -18.488 -18.122 -9.819 1.00 6.12 C ATOM 1126 CG ARG A 74 -19.538 -17.449 -8.952 1.00 6.76 C ATOM 1127 CD ARG A 74 -20.934 -17.749 -9.461 1.00 7.55 C ATOM 1128 NE ARG A 74 -21.945 -16.894 -8.846 1.00 8.14 N ATOM 1129 CZ ARG A 74 -23.158 -17.313 -8.502 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -23.474 -18.603 -8.579 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -24.045 -16.441 -8.052 1.00 9.65 N ATOM 0 H ARG A 74 -16.720 -18.098 -7.268 1.00 5.40 H new ATOM 0 HA ARG A 74 -16.375 -18.302 -10.095 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -18.567 -17.733 -10.834 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -18.704 -19.189 -9.869 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -19.440 -17.793 -7.922 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -19.373 -16.372 -8.945 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -20.960 -17.617 -10.543 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -21.174 -18.793 -9.261 1.00 7.55 H new ATOM 0 HE ARG A 74 -21.706 -15.918 -8.670 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -22.783 -19.279 -8.904 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -24.408 -18.916 -8.313 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -23.796 -15.455 -7.971 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -24.978 -16.754 -7.786 1.00 9.65 H new ATOM 1145 N GLY A 75 -16.958 -15.640 -10.103 1.00 4.93 N ATOM 1146 CA GLY A 75 -16.736 -14.218 -9.966 1.00 4.87 C ATOM 1147 C GLY A 75 -16.444 -13.568 -11.296 1.00 4.49 C ATOM 1148 O GLY A 75 -17.323 -12.943 -11.889 1.00 4.54 O ATOM 0 H GLY A 75 -17.260 -15.939 -11.030 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -17.615 -13.754 -9.519 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -15.903 -14.044 -9.285 1.00 4.87 H new ATOM 1152 N ALA A 76 -15.210 -13.741 -11.770 1.00 4.53 N ATOM 1153 CA ALA A 76 -14.777 -13.212 -13.062 1.00 4.52 C ATOM 1154 C ALA A 76 -15.077 -11.720 -13.189 1.00 3.91 C ATOM 1155 O ALA A 76 -15.763 -11.284 -14.115 1.00 4.15 O ATOM 1156 CB ALA A 76 -15.418 -13.991 -14.203 1.00 5.47 C ATOM 0 H ALA A 76 -14.483 -14.252 -11.269 1.00 4.53 H new ATOM 0 HA ALA A 76 -13.696 -13.335 -13.123 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -15.083 -13.582 -15.156 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -15.128 -15.039 -14.136 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -16.503 -13.910 -14.135 1.00 5.47 H new ATOM 1162 N GLN A 77 -14.566 -10.945 -12.244 1.00 3.61 N ATOM 1163 CA GLN A 77 -14.748 -9.505 -12.267 1.00 3.40 C ATOM 1164 C GLN A 77 -13.443 -8.810 -12.642 1.00 2.90 C ATOM 1165 O GLN A 77 -12.411 -9.463 -12.781 1.00 3.33 O ATOM 1166 CB GLN A 77 -15.307 -9.009 -10.926 1.00 4.25 C ATOM 1167 CG GLN A 77 -14.674 -9.654 -9.704 1.00 4.87 C ATOM 1168 CD GLN A 77 -15.614 -9.665 -8.510 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -16.379 -10.610 -8.321 1.00 6.14 O ATOM 1170 NE2 GLN A 77 -15.577 -8.615 -7.705 1.00 6.26 N ATOM 0 H GLN A 77 -14.023 -11.291 -11.453 1.00 3.61 H new ATOM 0 HA GLN A 77 -15.482 -9.251 -13.032 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -15.168 -7.930 -10.865 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -16.381 -9.193 -10.904 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -14.383 -10.676 -9.945 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -13.763 -9.116 -9.442 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -14.929 -7.850 -7.894 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -16.196 -8.571 -6.896 1.00 6.26 H new ATOM 1179 N VAL A 78 -13.501 -7.495 -12.816 1.00 2.65 N ATOM 1180 CA VAL A 78 -12.398 -6.747 -13.416 1.00 2.75 C ATOM 1181 C VAL A 78 -11.126 -6.731 -12.555 1.00 2.21 C ATOM 1182 O VAL A 78 -10.173 -7.458 -12.840 1.00 2.72 O ATOM 1183 CB VAL A 78 -12.827 -5.303 -13.775 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -13.652 -5.309 -15.053 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -13.625 -4.660 -12.645 1.00 4.21 C ATOM 0 H VAL A 78 -14.302 -6.922 -12.550 1.00 2.65 H new ATOM 0 HA VAL A 78 -12.146 -7.281 -14.332 1.00 2.75 H new ATOM 0 HB VAL A 78 -11.923 -4.713 -13.927 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -13.950 -4.290 -15.299 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -13.057 -5.720 -15.868 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -14.542 -5.922 -14.909 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -13.910 -3.647 -12.931 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -14.522 -5.248 -12.452 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -13.014 -4.624 -11.743 1.00 4.21 H new ATOM 1195 N THR A 79 -11.104 -5.905 -11.518 1.00 1.82 N ATOM 1196 CA THR A 79 -9.924 -5.767 -10.681 1.00 1.90 C ATOM 1197 C THR A 79 -10.238 -4.925 -9.442 1.00 1.53 C ATOM 1198 O THR A 79 -9.823 -3.770 -9.323 1.00 1.82 O ATOM 1199 CB THR A 79 -8.737 -5.160 -11.479 1.00 2.70 C ATOM 1200 OG1 THR A 79 -7.617 -4.919 -10.617 1.00 3.20 O ATOM 1201 CG2 THR A 79 -9.132 -3.864 -12.181 1.00 3.41 C ATOM 0 H THR A 79 -11.891 -5.321 -11.237 1.00 1.82 H new ATOM 0 HA THR A 79 -9.626 -6.762 -10.351 1.00 1.90 H new ATOM 0 HB THR A 79 -8.456 -5.888 -12.240 1.00 2.70 H new ATOM 0 HG1 THR A 79 -6.879 -4.538 -11.138 1.00 3.20 H new ATOM 0 HG21 THR A 79 -8.275 -3.471 -12.728 1.00 3.41 H new ATOM 0 HG22 THR A 79 -9.947 -4.061 -12.877 1.00 3.41 H new ATOM 0 HG23 THR A 79 -9.456 -3.133 -11.440 1.00 3.41 H new ATOM 1209 N ASP A 80 -10.985 -5.519 -8.523 1.00 1.21 N ATOM 1210 CA ASP A 80 -11.370 -4.844 -7.290 1.00 1.14 C ATOM 1211 C ASP A 80 -10.137 -4.498 -6.477 1.00 0.88 C ATOM 1212 O ASP A 80 -9.260 -5.334 -6.267 1.00 1.12 O ATOM 1213 CB ASP A 80 -12.327 -5.715 -6.474 1.00 1.60 C ATOM 1214 CG ASP A 80 -13.662 -5.895 -7.163 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -13.766 -6.771 -8.045 1.00 2.60 O ATOM 1216 OD2 ASP A 80 -14.617 -5.164 -6.812 1.00 2.66 O ATOM 0 H ASP A 80 -11.339 -6.472 -8.608 1.00 1.21 H new ATOM 0 HA ASP A 80 -11.888 -3.920 -7.547 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -11.873 -6.691 -6.305 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -12.483 -5.262 -5.495 1.00 1.60 H new ATOM 1221 N ILE A 81 -10.087 -3.266 -6.017 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.889 -2.722 -5.406 1.00 0.42 C ATOM 1223 C ILE A 81 -8.876 -2.977 -3.902 1.00 0.38 C ATOM 1224 O ILE A 81 -9.916 -2.916 -3.247 1.00 0.57 O ATOM 1225 CB ILE A 81 -8.807 -1.205 -5.671 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -8.885 -0.923 -7.175 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -7.533 -0.619 -5.085 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -8.885 0.551 -7.519 1.00 0.71 C ATOM 0 H ILE A 81 -10.871 -2.614 -6.055 1.00 0.63 H new ATOM 0 HA ILE A 81 -8.027 -3.220 -5.849 1.00 0.42 H new ATOM 0 HB ILE A 81 -9.655 -0.727 -5.181 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.040 -1.402 -7.670 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -9.790 -1.380 -7.575 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -7.499 0.452 -5.285 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -7.517 -0.787 -4.008 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -6.668 -1.101 -5.540 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -8.942 0.672 -8.601 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -9.745 1.033 -7.054 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -7.968 1.011 -7.150 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.705 -3.264 -3.352 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.591 -3.484 -1.916 1.00 0.28 C ATOM 1242 C VAL A 82 -6.801 -2.365 -1.261 1.00 0.23 C ATOM 1243 O VAL A 82 -5.775 -1.925 -1.768 1.00 0.26 O ATOM 1244 CB VAL A 82 -6.915 -4.828 -1.581 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.579 -4.911 -2.264 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -6.747 -4.987 -0.072 1.00 1.17 C ATOM 0 H VAL A 82 -6.830 -3.349 -3.870 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.609 -3.502 -1.527 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.551 -5.637 -1.940 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.106 -5.863 -2.023 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.717 -4.836 -3.343 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -4.944 -4.094 -1.922 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.268 -5.942 0.142 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.128 -4.176 0.313 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -7.725 -4.956 0.408 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.301 -1.909 -0.143 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.609 -0.953 0.683 1.00 0.19 C ATOM 1258 C ILE A 83 -5.759 -1.679 1.689 1.00 0.19 C ATOM 1259 O ILE A 83 -6.142 -2.722 2.200 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.590 -0.012 1.412 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.203 0.924 0.392 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -6.901 0.773 2.533 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -8.999 2.061 0.998 1.00 0.37 C ATOM 0 H ILE A 83 -8.209 -2.193 0.224 1.00 0.22 H new ATOM 0 HA ILE A 83 -5.981 -0.342 0.035 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.369 -0.608 1.887 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.408 1.340 -0.227 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.854 0.350 -0.268 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.627 1.424 3.021 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.488 0.077 3.264 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.097 1.377 2.113 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.405 2.686 0.202 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -9.817 1.656 1.594 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.349 2.661 1.635 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.604 -1.141 1.960 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.744 -1.710 2.952 1.00 0.23 C ATOM 1277 C LEU A 84 -3.356 -0.608 3.941 1.00 0.24 C ATOM 1278 O LEU A 84 -2.617 0.313 3.598 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.532 -2.365 2.263 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.437 -2.931 3.173 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.520 -1.822 3.620 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.028 -3.660 4.372 1.00 1.01 C ATOM 0 H LEU A 84 -4.237 -0.305 1.504 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.244 -2.498 3.515 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -2.898 -3.173 1.630 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.076 -1.626 1.604 1.00 0.39 H new ATOM 0 HG LEU A 84 -0.862 -3.660 2.603 1.00 0.31 H new ATOM 0 HD11 LEU A 84 0.257 -2.230 4.267 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.059 -1.357 2.748 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.093 -1.075 4.169 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.222 -4.048 4.995 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.636 -2.968 4.955 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.649 -4.486 4.026 1.00 1.01 H new ATOM 1294 N VAL A 85 -3.897 -0.684 5.143 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.647 0.319 6.162 1.00 0.27 C ATOM 1296 C VAL A 85 -2.432 -0.042 7.003 1.00 0.25 C ATOM 1297 O VAL A 85 -2.415 -1.065 7.690 1.00 0.29 O ATOM 1298 CB VAL A 85 -4.876 0.478 7.076 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.581 1.439 8.208 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.077 0.949 6.277 1.00 0.40 C ATOM 0 H VAL A 85 -4.518 -1.437 5.439 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.451 1.263 5.654 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.109 -0.496 7.507 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.463 1.537 8.841 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -3.749 1.059 8.800 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.319 2.414 7.798 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -6.936 1.056 6.940 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -5.853 1.911 5.816 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.306 0.219 5.501 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.410 0.793 6.920 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.233 0.650 7.749 1.00 0.20 C ATOM 1312 C VAL A 86 0.028 1.916 8.547 1.00 0.17 C ATOM 1313 O VAL A 86 0.102 3.013 7.992 1.00 0.22 O ATOM 1314 CB VAL A 86 1.017 0.323 6.911 1.00 0.23 C ATOM 1315 CG1 VAL A 86 1.073 -1.157 6.587 1.00 0.49 C ATOM 1316 CG2 VAL A 86 1.050 1.155 5.636 1.00 0.64 C ATOM 0 H VAL A 86 -1.376 1.585 6.278 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.429 -0.178 8.430 1.00 0.20 H new ATOM 0 HB VAL A 86 1.896 0.577 7.503 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.964 -1.366 5.995 1.00 0.49 H new ATOM 0 HG12 VAL A 86 1.110 -1.731 7.513 1.00 0.49 H new ATOM 0 HG13 VAL A 86 0.186 -1.439 6.020 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.942 0.906 5.062 1.00 0.64 H new ATOM 0 HG22 VAL A 86 0.163 0.942 5.039 1.00 0.64 H new ATOM 0 HG23 VAL A 86 1.068 2.214 5.893 1.00 0.64 H new ATOM 1326 N ALA A 87 0.142 1.765 9.852 1.00 0.17 N ATOM 1327 CA ALA A 87 0.504 2.875 10.716 1.00 0.18 C ATOM 1328 C ALA A 87 1.924 3.322 10.415 1.00 0.16 C ATOM 1329 O ALA A 87 2.826 2.495 10.336 1.00 0.24 O ATOM 1330 CB ALA A 87 0.380 2.453 12.168 1.00 0.28 C ATOM 0 H ALA A 87 -0.011 0.882 10.340 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.171 3.711 10.533 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.652 3.288 12.814 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -0.648 2.155 12.374 1.00 0.28 H new ATOM 0 HB3 ALA A 87 1.047 1.613 12.361 1.00 0.28 H new ATOM 1336 N ALA A 88 2.134 4.622 10.253 1.00 0.12 N ATOM 1337 CA ALA A 88 3.446 5.130 9.869 1.00 0.14 C ATOM 1338 C ALA A 88 4.419 5.048 11.018 1.00 0.16 C ATOM 1339 O ALA A 88 5.620 5.244 10.846 1.00 0.22 O ATOM 1340 CB ALA A 88 3.354 6.569 9.403 1.00 0.17 C ATOM 0 H ALA A 88 1.420 5.339 10.380 1.00 0.12 H new ATOM 0 HA ALA A 88 3.805 4.506 9.050 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.345 6.925 9.122 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.689 6.631 8.542 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.961 7.188 10.210 1.00 0.17 H new ATOM 1346 N ASP A 89 3.896 4.793 12.191 1.00 0.16 N ATOM 1347 CA ASP A 89 4.745 4.678 13.367 1.00 0.21 C ATOM 1348 C ASP A 89 4.948 3.219 13.775 1.00 0.22 C ATOM 1349 O ASP A 89 5.496 2.936 14.843 1.00 0.37 O ATOM 1350 CB ASP A 89 4.153 5.475 14.526 1.00 0.30 C ATOM 1351 CG ASP A 89 2.994 4.766 15.190 1.00 0.39 C ATOM 1352 OD1 ASP A 89 2.134 4.229 14.470 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.932 4.759 16.440 1.00 0.58 O ATOM 0 H ASP A 89 2.900 4.661 12.364 1.00 0.16 H new ATOM 0 HA ASP A 89 5.722 5.089 13.113 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.930 5.664 15.266 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.818 6.446 14.161 1.00 0.30 H new ATOM 1358 N ASP A 90 4.522 2.293 12.922 1.00 0.19 N ATOM 1359 CA ASP A 90 4.640 0.867 13.230 1.00 0.23 C ATOM 1360 C ASP A 90 4.971 0.058 11.973 1.00 0.25 C ATOM 1361 O ASP A 90 5.783 -0.865 12.019 1.00 0.42 O ATOM 1362 CB ASP A 90 3.352 0.362 13.878 1.00 0.26 C ATOM 1363 CG ASP A 90 3.548 -0.928 14.650 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.484 -0.999 15.467 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.792 -1.898 14.408 1.00 0.46 O ATOM 0 H ASP A 90 4.095 2.499 12.019 1.00 0.19 H new ATOM 0 HA ASP A 90 5.461 0.733 13.935 1.00 0.23 H new ATOM 0 HB2 ASP A 90 2.965 1.127 14.551 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.599 0.207 13.105 1.00 0.26 H new ATOM 1370 N GLY A 91 4.345 0.417 10.856 1.00 0.20 N ATOM 1371 CA GLY A 91 4.708 -0.153 9.568 1.00 0.21 C ATOM 1372 C GLY A 91 4.064 -1.496 9.284 1.00 0.22 C ATOM 1373 O GLY A 91 2.910 -1.728 9.632 1.00 0.37 O ATOM 0 H GLY A 91 3.587 1.098 10.819 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.427 0.547 8.781 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.791 -0.265 9.524 1.00 0.21 H new ATOM 1377 N VAL A 92 4.810 -2.373 8.633 1.00 0.26 N ATOM 1378 CA VAL A 92 4.312 -3.684 8.247 1.00 0.26 C ATOM 1379 C VAL A 92 4.628 -4.719 9.307 1.00 0.24 C ATOM 1380 O VAL A 92 5.771 -4.871 9.746 1.00 0.28 O ATOM 1381 CB VAL A 92 4.893 -4.121 6.889 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.662 -5.603 6.632 1.00 0.96 C ATOM 1383 CG2 VAL A 92 4.271 -3.295 5.786 1.00 1.03 C ATOM 0 H VAL A 92 5.776 -2.197 8.357 1.00 0.26 H new ATOM 0 HA VAL A 92 3.229 -3.607 8.150 1.00 0.26 H new ATOM 0 HB VAL A 92 5.970 -3.956 6.908 1.00 0.32 H new ATOM 0 HG11 VAL A 92 5.085 -5.875 5.665 1.00 0.96 H new ATOM 0 HG12 VAL A 92 5.143 -6.188 7.416 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.592 -5.810 6.631 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.682 -3.604 4.825 1.00 1.03 H new ATOM 0 HG22 VAL A 92 3.191 -3.444 5.784 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.491 -2.241 5.953 1.00 1.03 H new ATOM 1393 N MET A 93 3.596 -5.428 9.691 1.00 0.22 N ATOM 1394 CA MET A 93 3.655 -6.388 10.772 1.00 0.22 C ATOM 1395 C MET A 93 3.152 -7.744 10.262 1.00 0.22 C ATOM 1396 O MET A 93 2.750 -7.841 9.100 1.00 0.23 O ATOM 1397 CB MET A 93 2.797 -5.857 11.920 1.00 0.21 C ATOM 1398 CG MET A 93 3.181 -4.448 12.340 1.00 0.23 C ATOM 1399 SD MET A 93 4.675 -4.415 13.336 1.00 0.28 S ATOM 1400 CE MET A 93 4.010 -5.060 14.861 1.00 0.27 C ATOM 0 H MET A 93 2.676 -5.355 9.257 1.00 0.22 H new ATOM 0 HA MET A 93 4.674 -6.527 11.132 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.749 -5.869 11.620 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.891 -6.525 12.776 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.326 -3.834 11.451 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.361 -4.004 12.904 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.564 -4.646 15.703 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.959 -4.782 14.946 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.099 -6.146 14.866 1.00 0.27 H new ATOM 1410 N PRO A 94 3.164 -8.807 11.096 1.00 0.25 N ATOM 1411 CA PRO A 94 2.754 -10.155 10.666 1.00 0.30 C ATOM 1412 C PRO A 94 1.416 -10.194 9.925 1.00 0.28 C ATOM 1413 O PRO A 94 1.365 -10.631 8.774 1.00 0.31 O ATOM 1414 CB PRO A 94 2.667 -10.935 11.977 1.00 0.37 C ATOM 1415 CG PRO A 94 3.638 -10.258 12.879 1.00 0.58 C ATOM 1416 CD PRO A 94 3.597 -8.801 12.511 1.00 0.30 C ATOM 0 HA PRO A 94 3.461 -10.565 9.945 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.658 -10.908 12.388 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.925 -11.984 11.832 1.00 0.37 H new ATOM 0 HG2 PRO A 94 3.367 -10.404 13.925 1.00 0.58 H new ATOM 0 HG3 PRO A 94 4.641 -10.665 12.749 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.899 -8.249 13.141 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.573 -8.331 12.629 1.00 0.30 H new ATOM 1424 N GLN A 95 0.334 -9.723 10.548 1.00 0.29 N ATOM 1425 CA GLN A 95 -0.976 -9.841 9.930 1.00 0.32 C ATOM 1426 C GLN A 95 -1.143 -8.813 8.814 1.00 0.31 C ATOM 1427 O GLN A 95 -2.068 -8.894 8.002 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.096 -9.716 10.967 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.601 -8.304 11.205 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.027 -8.289 11.737 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -4.978 -8.312 10.960 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.194 -8.220 13.052 1.00 0.34 N ATOM 0 H GLN A 95 0.342 -9.267 11.460 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.048 -10.835 9.489 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -2.934 -10.336 10.650 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -1.740 -10.122 11.914 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -1.945 -7.799 11.914 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.556 -7.741 10.273 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.382 -8.203 13.669 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.134 -8.184 13.445 1.00 0.34 H new ATOM 1441 N THR A 96 -0.227 -7.859 8.770 1.00 0.26 N ATOM 1442 CA THR A 96 -0.235 -6.830 7.747 1.00 0.25 C ATOM 1443 C THR A 96 0.143 -7.436 6.406 1.00 0.25 C ATOM 1444 O THR A 96 -0.555 -7.260 5.406 1.00 0.31 O ATOM 1445 CB THR A 96 0.749 -5.707 8.083 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.916 -5.641 9.497 1.00 0.24 O ATOM 1447 CG2 THR A 96 0.237 -4.371 7.582 1.00 0.28 C ATOM 0 H THR A 96 0.538 -7.777 9.439 1.00 0.26 H new ATOM 0 HA THR A 96 -1.240 -6.411 7.700 1.00 0.25 H new ATOM 0 HB THR A 96 1.700 -5.921 7.596 1.00 0.25 H new ATOM 0 HG1 THR A 96 0.096 -5.947 9.938 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.954 -3.589 7.833 1.00 0.28 H new ATOM 0 HG22 THR A 96 0.109 -4.413 6.500 1.00 0.28 H new ATOM 0 HG23 THR A 96 -0.721 -4.149 8.052 1.00 0.28 H new ATOM 1455 N VAL A 97 1.242 -8.177 6.392 1.00 0.25 N ATOM 1456 CA VAL A 97 1.702 -8.785 5.180 1.00 0.31 C ATOM 1457 C VAL A 97 0.863 -9.999 4.771 1.00 0.23 C ATOM 1458 O VAL A 97 0.826 -10.351 3.604 1.00 0.24 O ATOM 1459 CB VAL A 97 3.202 -9.129 5.255 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.595 -9.693 6.605 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.588 -10.094 4.156 1.00 1.38 C ATOM 0 H VAL A 97 1.821 -8.363 7.211 1.00 0.25 H new ATOM 0 HA VAL A 97 1.571 -8.043 4.392 1.00 0.31 H new ATOM 0 HB VAL A 97 3.747 -8.195 5.117 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.661 -9.920 6.608 1.00 1.02 H new ATOM 0 HG12 VAL A 97 3.377 -8.961 7.383 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.030 -10.605 6.797 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.651 -10.322 4.229 1.00 1.38 H new ATOM 0 HG22 VAL A 97 3.012 -11.013 4.260 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.380 -9.643 3.186 1.00 1.38 H new ATOM 1471 N GLU A 98 0.156 -10.618 5.701 1.00 0.24 N ATOM 1472 CA GLU A 98 -0.784 -11.672 5.319 1.00 0.29 C ATOM 1473 C GLU A 98 -1.898 -11.066 4.466 1.00 0.31 C ATOM 1474 O GLU A 98 -2.453 -11.715 3.581 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.363 -12.363 6.551 1.00 0.39 C ATOM 1476 CG GLU A 98 -0.305 -12.980 7.444 1.00 0.92 C ATOM 1477 CD GLU A 98 -0.892 -13.828 8.552 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -1.402 -13.261 9.540 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -0.835 -15.071 8.442 1.00 1.97 O ATOM 0 H GLU A 98 0.207 -10.421 6.700 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.254 -12.428 4.739 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -1.939 -11.639 7.128 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.057 -13.140 6.231 1.00 0.39 H new ATOM 0 HG2 GLU A 98 0.362 -13.593 6.838 1.00 0.92 H new ATOM 0 HG3 GLU A 98 0.301 -12.187 7.882 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.192 -9.797 4.725 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.121 -9.040 3.902 1.00 0.35 C ATOM 1488 C ALA A 99 -2.454 -8.623 2.592 1.00 0.34 C ATOM 1489 O ALA A 99 -3.127 -8.286 1.624 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.623 -7.825 4.662 1.00 0.39 C ATOM 0 H ALA A 99 -1.796 -9.270 5.504 1.00 0.31 H new ATOM 0 HA ALA A 99 -3.975 -9.673 3.662 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.318 -7.266 4.036 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.132 -8.149 5.570 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.780 -7.187 4.927 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.125 -8.634 2.568 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.385 -8.426 1.341 1.00 0.29 C ATOM 1498 C ILE A 100 -0.366 -9.716 0.530 1.00 0.29 C ATOM 1499 O ILE A 100 -0.618 -9.717 -0.673 1.00 0.34 O ATOM 1500 CB ILE A 100 1.061 -8.011 1.643 1.00 0.32 C ATOM 1501 CG1 ILE A 100 1.083 -6.647 2.344 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.864 -7.990 0.358 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.441 -6.263 2.886 1.00 0.41 C ATOM 0 H ILE A 100 -0.542 -8.786 3.391 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.874 -7.632 0.776 1.00 0.29 H new ATOM 0 HB ILE A 100 1.517 -8.736 2.317 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.753 -5.882 1.641 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.365 -6.658 3.164 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.891 -7.695 0.575 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.859 -8.984 -0.090 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.421 -7.276 -0.336 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.378 -5.287 3.367 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.766 -7.006 3.614 1.00 0.41 H new ATOM 0 HD13 ILE A 100 3.160 -6.218 2.068 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.061 -10.802 1.225 1.00 0.29 N ATOM 1516 CA ASN A 101 -0.060 -12.141 0.663 1.00 0.34 C ATOM 1517 C ASN A 101 -1.381 -12.416 -0.038 1.00 0.36 C ATOM 1518 O ASN A 101 -1.403 -12.908 -1.163 1.00 0.43 O ATOM 1519 CB ASN A 101 0.196 -13.157 1.783 1.00 0.44 C ATOM 1520 CG ASN A 101 1.638 -13.170 2.239 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.546 -12.795 1.496 1.00 0.67 O ATOM 1522 ND2 ASN A 101 1.860 -13.631 3.454 1.00 0.64 N ATOM 0 H ASN A 101 0.197 -10.775 2.212 1.00 0.29 H new ATOM 0 HA ASN A 101 0.734 -12.230 -0.079 1.00 0.34 H new ATOM 0 HB2 ASN A 101 -0.447 -12.926 2.632 1.00 0.44 H new ATOM 0 HB3 ASN A 101 -0.080 -14.152 1.435 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.814 -13.687 3.812 1.00 0.64 H new ATOM 0 HD22 ASN A 101 1.078 -13.931 4.036 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.473 -12.055 0.627 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.806 -12.086 0.047 1.00 0.43 C ATOM 1531 C HIS A 102 -3.827 -11.398 -1.322 1.00 0.37 C ATOM 1532 O HIS A 102 -4.381 -11.920 -2.291 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.773 -11.388 1.034 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.607 -10.310 0.432 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -5.449 -8.972 0.699 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.575 -10.395 -0.469 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -6.299 -8.279 -0.027 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.001 -9.121 -0.751 1.00 1.91 N ATOM 0 H HIS A 102 -2.455 -11.730 1.594 1.00 0.35 H new ATOM 0 HA HIS A 102 -4.118 -13.118 -0.113 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -5.433 -12.140 1.468 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.191 -10.964 1.853 1.00 0.61 H new ATOM 0 HD1 HIS A 102 -4.777 -8.577 1.357 1.00 2.07 H new ATOM 0 HD2 HIS A 102 -6.960 -11.305 -0.904 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -6.402 -7.204 -0.028 1.00 2.50 H new ATOM 1547 N ALA A 103 -3.222 -10.227 -1.391 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.362 -9.377 -2.554 1.00 0.41 C ATOM 1549 C ALA A 103 -2.480 -9.847 -3.702 1.00 0.40 C ATOM 1550 O ALA A 103 -2.884 -9.793 -4.854 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.043 -7.936 -2.200 1.00 0.47 C ATOM 0 H ALA A 103 -2.629 -9.844 -0.654 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.399 -9.439 -2.885 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.153 -7.311 -3.086 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -3.728 -7.591 -1.425 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.018 -7.869 -1.834 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.273 -10.299 -3.389 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.357 -10.803 -4.407 1.00 0.49 C ATOM 1559 C LYS A 104 -0.808 -12.161 -4.886 1.00 0.54 C ATOM 1560 O LYS A 104 -0.559 -12.560 -6.026 1.00 0.66 O ATOM 1561 CB LYS A 104 1.043 -10.886 -3.837 1.00 0.61 C ATOM 1562 CG LYS A 104 1.523 -9.555 -3.330 1.00 0.70 C ATOM 1563 CD LYS A 104 1.530 -8.523 -4.450 1.00 0.84 C ATOM 1564 CE LYS A 104 2.142 -7.205 -4.020 1.00 0.99 C ATOM 1565 NZ LYS A 104 2.089 -6.195 -5.113 1.00 1.66 N ATOM 0 H LYS A 104 -0.904 -10.328 -2.438 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.355 -10.119 -5.256 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.061 -11.612 -3.024 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.726 -11.250 -4.604 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.878 -9.215 -2.520 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.527 -9.658 -2.917 1.00 0.70 H new ATOM 0 HD2 LYS A 104 2.086 -8.918 -5.300 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.508 -8.352 -4.789 1.00 0.84 H new ATOM 0 HE2 LYS A 104 1.613 -6.825 -3.146 1.00 0.99 H new ATOM 0 HE3 LYS A 104 3.178 -7.364 -3.721 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.886 -5.534 -5.014 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 2.151 -6.676 -6.033 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.194 -5.669 -5.057 1.00 1.66 H new ATOM 1579 N ALA A 105 -1.453 -12.866 -3.982 1.00 0.51 N ATOM 1580 CA ALA A 105 -2.105 -14.132 -4.319 1.00 0.61 C ATOM 1581 C ALA A 105 -3.082 -13.946 -5.480 1.00 0.62 C ATOM 1582 O ALA A 105 -3.185 -14.801 -6.360 1.00 0.77 O ATOM 1583 CB ALA A 105 -2.826 -14.719 -3.115 1.00 0.65 C ATOM 0 H ALA A 105 -1.545 -12.591 -3.004 1.00 0.51 H new ATOM 0 HA ALA A 105 -1.327 -14.832 -4.625 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -3.300 -15.659 -3.398 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -2.109 -14.901 -2.314 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -3.586 -14.019 -2.769 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.800 -12.829 -5.476 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.712 -12.509 -6.574 1.00 0.64 C ATOM 1591 C ALA A 106 -4.017 -11.687 -7.662 1.00 0.64 C ATOM 1592 O ALA A 106 -4.355 -11.791 -8.842 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.937 -11.770 -6.056 1.00 0.68 C ATOM 0 H ALA A 106 -3.771 -12.132 -4.732 1.00 0.54 H new ATOM 0 HA ALA A 106 -5.031 -13.451 -7.020 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.603 -11.541 -6.888 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -6.461 -12.396 -5.334 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.626 -10.843 -5.575 1.00 0.68 H new ATOM 1599 N ASN A 107 -3.066 -10.855 -7.226 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.224 -10.023 -8.096 1.00 0.65 C ATOM 1601 C ASN A 107 -2.985 -8.766 -8.469 1.00 0.60 C ATOM 1602 O ASN A 107 -3.112 -8.396 -9.635 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.728 -10.767 -9.331 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.631 -10.021 -10.058 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.083 -9.197 -9.475 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.462 -10.331 -11.326 1.00 1.41 N ATOM 0 H ASN A 107 -2.854 -10.737 -6.235 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.326 -9.753 -7.540 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.360 -11.749 -9.035 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.563 -10.931 -10.012 1.00 0.85 H new ATOM 0 HD21 ASN A 107 0.280 -9.886 -11.865 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.073 -11.017 -11.769 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.479 -8.114 -7.433 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.334 -6.957 -7.558 1.00 0.42 C ATOM 1615 C VAL A 108 -3.607 -5.684 -7.123 1.00 0.37 C ATOM 1616 O VAL A 108 -2.779 -5.718 -6.206 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.598 -7.157 -6.692 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -5.263 -7.818 -5.366 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.276 -5.839 -6.437 1.00 1.35 C ATOM 0 H VAL A 108 -3.292 -8.381 -6.467 1.00 0.44 H new ATOM 0 HA VAL A 108 -4.615 -6.847 -8.605 1.00 0.42 H new ATOM 0 HB VAL A 108 -6.272 -7.811 -7.245 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.174 -7.944 -4.782 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -4.812 -8.793 -5.549 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -4.562 -7.192 -4.814 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -7.164 -5.999 -5.826 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -5.590 -5.172 -5.914 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -6.565 -5.389 -7.387 1.00 1.35 H new ATOM 1629 N PRO A 109 -3.876 -4.550 -7.802 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.366 -3.239 -7.390 1.00 0.33 C ATOM 1631 C PRO A 109 -3.900 -2.810 -6.024 1.00 0.28 C ATOM 1632 O PRO A 109 -5.055 -3.086 -5.666 1.00 0.29 O ATOM 1633 CB PRO A 109 -3.861 -2.281 -8.476 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.237 -3.150 -9.629 1.00 0.47 C ATOM 1635 CD PRO A 109 -4.667 -4.463 -9.041 1.00 0.40 C ATOM 0 HA PRO A 109 -2.281 -3.252 -7.287 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -4.714 -1.699 -8.128 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.084 -1.570 -8.757 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.043 -2.700 -10.209 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -3.394 -3.284 -10.307 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -5.738 -4.482 -8.838 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -4.455 -5.294 -9.713 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.063 -2.117 -5.265 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.418 -1.780 -3.901 1.00 0.21 C ATOM 1645 C ILE A 110 -3.625 -0.275 -3.721 1.00 0.19 C ATOM 1646 O ILE A 110 -3.202 0.542 -4.539 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.333 -2.304 -2.923 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.305 -3.833 -2.951 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.522 -1.789 -1.500 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.176 -4.466 -1.582 1.00 0.60 C ATOM 0 H ILE A 110 -2.148 -1.783 -5.568 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.367 -2.265 -3.674 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.372 -1.917 -3.263 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.218 -4.195 -3.424 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.472 -4.161 -3.573 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.734 -2.188 -0.861 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.474 -0.700 -1.498 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.493 -2.110 -1.123 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.163 -5.551 -1.683 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.250 -4.134 -1.113 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.022 -4.169 -0.963 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.303 0.047 -2.640 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.465 1.406 -2.158 1.00 0.18 C ATOM 1664 C ILE A 111 -3.968 1.429 -0.725 1.00 0.16 C ATOM 1665 O ILE A 111 -4.736 1.262 0.220 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.936 1.898 -2.197 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.422 2.068 -3.634 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.087 3.222 -1.449 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.810 3.255 -4.335 1.00 0.37 C ATOM 0 H ILE A 111 -4.770 -0.646 -2.055 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.902 2.075 -2.808 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.546 1.139 -1.707 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.192 1.164 -4.197 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.507 2.175 -3.633 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.127 3.547 -1.490 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.790 3.088 -0.409 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.453 3.977 -1.914 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.198 3.317 -5.352 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -6.062 4.167 -3.794 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.727 3.140 -4.367 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.671 1.547 -0.557 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.116 1.611 0.763 1.00 0.18 C ATOM 1683 C VAL A 112 -2.494 2.916 1.389 1.00 0.20 C ATOM 1684 O VAL A 112 -2.639 3.932 0.717 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.594 1.470 0.767 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.054 1.506 2.167 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.190 0.182 0.108 1.00 0.19 C ATOM 0 H VAL A 112 -1.990 1.600 -1.315 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.521 0.774 1.332 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.178 2.310 0.210 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.031 1.404 2.141 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.318 2.455 2.635 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.482 0.686 2.743 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.896 0.094 0.117 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.627 -0.657 0.650 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.546 0.173 -0.922 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.656 2.872 2.668 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.071 4.024 3.410 1.00 0.24 C ATOM 1699 C ALA A 113 -2.407 4.038 4.760 1.00 0.25 C ATOM 1700 O ALA A 113 -2.746 3.265 5.656 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.581 4.061 3.515 1.00 0.29 C ATOM 0 H ALA A 113 -2.505 2.037 3.234 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.759 4.927 2.885 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.885 4.941 4.081 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.014 4.105 2.516 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.932 3.163 4.024 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.424 4.900 4.866 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.698 5.091 6.089 1.00 0.27 C ATOM 1709 C ILE A 114 -1.573 5.841 7.077 1.00 0.30 C ATOM 1710 O ILE A 114 -2.239 6.784 6.700 1.00 0.50 O ATOM 1711 CB ILE A 114 0.602 5.879 5.827 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.629 5.005 5.106 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.177 6.414 7.116 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.460 4.959 3.602 1.00 0.59 C ATOM 0 H ILE A 114 -1.107 5.491 4.097 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.431 4.119 6.503 1.00 0.27 H new ATOM 0 HB ILE A 114 0.358 6.725 5.185 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.629 5.374 5.337 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.565 3.990 5.499 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.093 6.966 6.904 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.454 7.079 7.589 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.400 5.584 7.787 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.228 4.318 3.169 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.475 4.561 3.359 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.555 5.965 3.194 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.578 5.413 8.322 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.356 6.082 9.352 1.00 0.22 C ATOM 1728 C ASN A 115 -1.395 6.493 10.417 1.00 0.20 C ATOM 1729 O ASN A 115 -0.208 6.155 10.346 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.468 5.164 9.893 1.00 0.33 C ATOM 1731 CG ASN A 115 -3.106 4.401 11.151 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -2.001 3.925 11.312 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.046 4.300 12.066 1.00 0.56 N ATOM 0 H ASN A 115 -1.052 4.603 8.649 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.868 6.957 8.952 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -4.353 5.768 10.093 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -3.739 4.449 9.116 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -3.856 3.811 12.941 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.965 4.711 11.901 1.00 0.56 H new ATOM 1740 N LYS A 116 -1.882 7.238 11.374 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.059 7.691 12.455 1.00 0.20 C ATOM 1742 C LYS A 116 0.010 8.670 11.973 1.00 0.21 C ATOM 1743 O LYS A 116 1.118 8.720 12.507 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.432 6.486 13.154 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.413 5.702 14.006 1.00 0.32 C ATOM 1746 CD LYS A 116 -0.700 4.635 14.817 1.00 0.40 C ATOM 1747 CE LYS A 116 -1.659 3.690 15.520 1.00 0.51 C ATOM 1748 NZ LYS A 116 -0.922 2.628 16.259 1.00 0.59 N ATOM 0 H LYS A 116 -2.854 7.544 11.423 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.682 8.231 13.168 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.004 5.822 12.403 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.390 6.828 13.782 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -1.941 6.381 14.676 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.164 5.237 13.367 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.048 4.060 14.159 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.061 5.115 15.559 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.285 4.252 16.213 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.325 3.233 14.788 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.600 2.017 16.757 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.370 2.057 15.587 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -0.280 3.067 16.949 1.00 0.59 H new ATOM 1762 N MET A 117 -0.345 9.460 10.968 1.00 0.21 N ATOM 1763 CA MET A 117 0.518 10.513 10.469 1.00 0.28 C ATOM 1764 C MET A 117 0.332 11.750 11.323 1.00 0.29 C ATOM 1765 O MET A 117 1.118 12.695 11.269 1.00 0.37 O ATOM 1766 CB MET A 117 0.180 10.813 9.015 1.00 0.38 C ATOM 1767 CG MET A 117 0.583 9.695 8.072 1.00 0.48 C ATOM 1768 SD MET A 117 2.347 9.672 7.756 1.00 0.77 S ATOM 1769 CE MET A 117 2.497 11.197 6.844 1.00 0.92 C ATOM 0 H MET A 117 -1.237 9.386 10.480 1.00 0.21 H new ATOM 0 HA MET A 117 1.559 10.195 10.521 1.00 0.28 H new ATOM 0 HB2 MET A 117 -0.892 10.988 8.925 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.680 11.734 8.714 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.280 8.738 8.497 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.049 9.809 7.129 1.00 0.48 H new ATOM 0 HE1 MET A 117 2.924 10.993 5.862 1.00 0.92 H new ATOM 0 HE2 MET A 117 1.512 11.648 6.725 1.00 0.92 H new ATOM 0 HE3 MET A 117 3.147 11.883 7.387 1.00 0.92 H new ATOM 1779 N ASP A 118 -0.742 11.731 12.102 1.00 0.27 N ATOM 1780 CA ASP A 118 -0.982 12.748 13.124 1.00 0.34 C ATOM 1781 C ASP A 118 0.082 12.627 14.195 1.00 0.33 C ATOM 1782 O ASP A 118 0.487 13.609 14.817 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.365 12.578 13.768 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.490 11.300 14.581 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -2.556 10.222 13.975 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.532 11.367 15.826 1.00 0.76 O ATOM 0 H ASP A 118 -1.468 11.017 12.046 1.00 0.27 H new ATOM 0 HA ASP A 118 -0.944 13.729 12.651 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.567 13.433 14.413 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.126 12.581 12.987 1.00 0.39 H new ATOM 1791 N LYS A 119 0.524 11.398 14.397 1.00 0.23 N ATOM 1792 CA LYS A 119 1.560 11.102 15.369 1.00 0.26 C ATOM 1793 C LYS A 119 2.915 11.575 14.856 1.00 0.28 C ATOM 1794 O LYS A 119 3.270 11.327 13.711 1.00 0.26 O ATOM 1795 CB LYS A 119 1.603 9.597 15.652 1.00 0.29 C ATOM 1796 CG LYS A 119 0.290 9.048 16.188 1.00 0.36 C ATOM 1797 CD LYS A 119 0.396 7.575 16.551 1.00 0.72 C ATOM 1798 CE LYS A 119 1.274 7.356 17.770 1.00 0.87 C ATOM 1799 NZ LYS A 119 1.334 5.922 18.153 1.00 1.17 N ATOM 0 H LYS A 119 0.176 10.581 13.894 1.00 0.23 H new ATOM 0 HA LYS A 119 1.331 11.629 16.295 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.862 9.069 14.734 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.395 9.392 16.372 1.00 0.29 H new ATOM 0 HG2 LYS A 119 -0.009 9.618 17.068 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.492 9.182 15.440 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.600 7.176 16.744 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.803 7.021 15.705 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.280 7.720 17.564 1.00 0.87 H new ATOM 0 HE3 LYS A 119 0.889 7.940 18.606 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 1.858 5.823 19.046 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 0.369 5.555 18.275 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.818 5.383 17.406 1.00 1.17 H new ATOM 1813 N PRO A 120 3.695 12.262 15.709 1.00 0.38 N ATOM 1814 CA PRO A 120 5.049 12.726 15.360 1.00 0.45 C ATOM 1815 C PRO A 120 5.988 11.563 15.049 1.00 0.40 C ATOM 1816 O PRO A 120 7.072 11.743 14.498 1.00 0.45 O ATOM 1817 CB PRO A 120 5.520 13.462 16.619 1.00 0.57 C ATOM 1818 CG PRO A 120 4.630 12.984 17.717 1.00 0.58 C ATOM 1819 CD PRO A 120 3.314 12.663 17.076 1.00 0.48 C ATOM 0 HA PRO A 120 5.046 13.350 14.466 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.565 13.240 16.836 1.00 0.57 H new ATOM 0 HB3 PRO A 120 5.443 14.542 16.494 1.00 0.57 H new ATOM 0 HG2 PRO A 120 5.051 12.105 18.205 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.513 13.749 18.485 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.795 11.861 17.601 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.647 13.525 17.072 1.00 0.48 H new ATOM 1827 N GLU A 121 5.543 10.374 15.415 1.00 0.35 N ATOM 1828 CA GLU A 121 6.291 9.144 15.196 1.00 0.37 C ATOM 1829 C GLU A 121 6.069 8.623 13.782 1.00 0.30 C ATOM 1830 O GLU A 121 6.663 7.627 13.369 1.00 0.37 O ATOM 1831 CB GLU A 121 5.843 8.120 16.230 1.00 0.48 C ATOM 1832 CG GLU A 121 5.890 8.681 17.638 1.00 0.62 C ATOM 1833 CD GLU A 121 5.217 7.797 18.661 1.00 1.04 C ATOM 1834 OE1 GLU A 121 5.831 6.803 19.094 1.00 1.40 O ATOM 1835 OE2 GLU A 121 4.081 8.118 19.065 1.00 1.45 O ATOM 0 H GLU A 121 4.645 10.231 15.877 1.00 0.35 H new ATOM 0 HA GLU A 121 7.359 9.334 15.307 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.828 7.794 16.003 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.482 7.239 16.169 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.930 8.830 17.927 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.413 9.661 17.646 1.00 0.62 H new ATOM 1842 N ALA A 122 5.206 9.320 13.053 1.00 0.24 N ATOM 1843 CA ALA A 122 4.902 8.995 11.664 1.00 0.22 C ATOM 1844 C ALA A 122 6.151 8.976 10.802 1.00 0.21 C ATOM 1845 O ALA A 122 6.877 9.966 10.708 1.00 0.26 O ATOM 1846 CB ALA A 122 3.902 9.988 11.093 1.00 0.27 C ATOM 0 H ALA A 122 4.696 10.128 13.409 1.00 0.24 H new ATOM 0 HA ALA A 122 4.469 7.995 11.654 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.686 9.731 10.056 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.981 9.952 11.675 1.00 0.27 H new ATOM 0 HB3 ALA A 122 4.321 10.993 11.138 1.00 0.27 H new ATOM 1852 N ASN A 123 6.406 7.836 10.196 1.00 0.21 N ATOM 1853 CA ASN A 123 7.443 7.723 9.194 1.00 0.23 C ATOM 1854 C ASN A 123 6.864 7.004 7.993 1.00 0.23 C ATOM 1855 O ASN A 123 7.115 5.821 7.772 1.00 0.25 O ATOM 1856 CB ASN A 123 8.632 6.944 9.737 1.00 0.26 C ATOM 1857 CG ASN A 123 9.939 7.395 9.181 1.00 0.42 C ATOM 1858 OD1 ASN A 123 10.982 7.217 9.798 1.00 0.95 O ATOM 1859 ND2 ASN A 123 9.911 7.984 8.021 1.00 0.52 N ATOM 0 H ASN A 123 5.904 6.968 10.382 1.00 0.21 H new ATOM 0 HA ASN A 123 7.791 8.717 8.913 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.655 7.040 10.823 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.496 5.886 9.514 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.777 8.315 7.596 1.00 0.52 H new ATOM 0 HD22 ASN A 123 9.023 8.115 7.537 1.00 0.52 H new ATOM 1866 N PRO A 124 6.077 7.725 7.204 1.00 0.25 N ATOM 1867 CA PRO A 124 5.326 7.156 6.086 1.00 0.32 C ATOM 1868 C PRO A 124 6.194 6.541 5.016 1.00 0.33 C ATOM 1869 O PRO A 124 6.042 5.372 4.682 1.00 0.35 O ATOM 1870 CB PRO A 124 4.582 8.351 5.529 1.00 0.40 C ATOM 1871 CG PRO A 124 5.351 9.537 5.987 1.00 0.32 C ATOM 1872 CD PRO A 124 5.830 9.169 7.350 1.00 0.27 C ATOM 0 HA PRO A 124 4.690 6.336 6.419 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.531 8.311 4.441 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.556 8.382 5.895 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.184 9.752 5.318 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.726 10.429 6.014 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.734 9.712 7.626 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.084 9.381 8.116 1.00 0.27 H new ATOM 1880 N ASP A 125 7.092 7.337 4.475 1.00 0.37 N ATOM 1881 CA ASP A 125 8.021 6.872 3.449 1.00 0.44 C ATOM 1882 C ASP A 125 8.799 5.666 3.949 1.00 0.34 C ATOM 1883 O ASP A 125 9.210 4.800 3.176 1.00 0.33 O ATOM 1884 CB ASP A 125 8.984 7.987 3.053 1.00 0.61 C ATOM 1885 CG ASP A 125 8.261 9.199 2.510 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.835 10.061 3.313 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.130 9.308 1.274 1.00 1.13 O ATOM 0 H ASP A 125 7.204 8.319 4.727 1.00 0.37 H new ATOM 0 HA ASP A 125 7.444 6.581 2.571 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.577 8.278 3.920 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.680 7.614 2.302 1.00 0.61 H new ATOM 1892 N ARG A 126 8.946 5.592 5.263 1.00 0.31 N ATOM 1893 CA ARG A 126 9.669 4.493 5.886 1.00 0.31 C ATOM 1894 C ARG A 126 8.818 3.240 5.839 1.00 0.27 C ATOM 1895 O ARG A 126 9.220 2.214 5.292 1.00 0.30 O ATOM 1896 CB ARG A 126 9.998 4.832 7.340 1.00 0.35 C ATOM 1897 CG ARG A 126 10.686 3.718 8.112 1.00 0.51 C ATOM 1898 CD ARG A 126 12.194 3.737 7.911 1.00 1.24 C ATOM 1899 NE ARG A 126 12.817 4.910 8.527 1.00 1.92 N ATOM 1900 CZ ARG A 126 14.134 5.063 8.676 1.00 2.94 C ATOM 1901 NH1 ARG A 126 14.967 4.099 8.296 1.00 3.49 N ATOM 1902 NH2 ARG A 126 14.618 6.167 9.232 1.00 3.79 N ATOM 0 H ARG A 126 8.575 6.279 5.919 1.00 0.31 H new ATOM 0 HA ARG A 126 10.599 4.328 5.343 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.636 5.715 7.357 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.074 5.096 7.855 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.460 3.818 9.174 1.00 0.51 H new ATOM 0 HG3 ARG A 126 10.289 2.755 7.791 1.00 0.51 H new ATOM 0 HD2 ARG A 126 12.627 2.832 8.336 1.00 1.24 H new ATOM 0 HD3 ARG A 126 12.417 3.727 6.844 1.00 1.24 H new ATOM 0 HE ARG A 126 12.207 5.656 8.863 1.00 1.92 H new ATOM 0 HH11 ARG A 126 14.600 3.239 7.889 1.00 3.49 H new ATOM 0 HH12 ARG A 126 15.973 4.220 8.411 1.00 3.49 H new ATOM 0 HH21 ARG A 126 13.983 6.900 9.546 1.00 3.79 H new ATOM 0 HH22 ARG A 126 15.625 6.282 9.345 1.00 3.79 H new ATOM 1916 N VAL A 127 7.626 3.350 6.399 1.00 0.25 N ATOM 1917 CA VAL A 127 6.711 2.224 6.467 1.00 0.28 C ATOM 1918 C VAL A 127 6.216 1.807 5.080 1.00 0.28 C ATOM 1919 O VAL A 127 5.954 0.632 4.845 1.00 0.33 O ATOM 1920 CB VAL A 127 5.528 2.507 7.424 1.00 0.36 C ATOM 1921 CG1 VAL A 127 6.068 2.831 8.800 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.623 3.634 6.931 1.00 0.44 C ATOM 0 H VAL A 127 7.268 4.210 6.814 1.00 0.25 H new ATOM 0 HA VAL A 127 7.272 1.384 6.877 1.00 0.28 H new ATOM 0 HB VAL A 127 4.911 1.609 7.461 1.00 0.36 H new ATOM 0 HG11 VAL A 127 5.239 3.031 9.478 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.646 1.985 9.173 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.709 3.710 8.741 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.812 3.787 7.643 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.203 4.552 6.839 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.208 3.368 5.959 1.00 0.44 H new ATOM 1932 N MET A 128 6.138 2.758 4.148 1.00 0.27 N ATOM 1933 CA MET A 128 5.705 2.449 2.784 1.00 0.31 C ATOM 1934 C MET A 128 6.833 1.759 2.013 1.00 0.26 C ATOM 1935 O MET A 128 6.596 1.124 0.984 1.00 0.35 O ATOM 1936 CB MET A 128 5.210 3.716 2.048 1.00 0.52 C ATOM 1937 CG MET A 128 6.310 4.654 1.564 1.00 0.81 C ATOM 1938 SD MET A 128 5.706 6.305 1.117 1.00 0.67 S ATOM 1939 CE MET A 128 4.639 5.978 -0.292 1.00 0.46 C ATOM 0 H MET A 128 6.366 3.739 4.310 1.00 0.27 H new ATOM 0 HA MET A 128 4.860 1.762 2.841 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.612 3.409 1.190 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.549 4.270 2.715 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.064 4.751 2.345 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.802 4.209 0.699 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.884 6.760 -0.366 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.235 5.962 -1.204 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.150 5.013 -0.162 1.00 0.46 H new ATOM 1949 N GLN A 129 8.061 1.863 2.518 1.00 0.24 N ATOM 1950 CA GLN A 129 9.163 1.094 1.949 1.00 0.27 C ATOM 1951 C GLN A 129 9.079 -0.361 2.390 1.00 0.30 C ATOM 1952 O GLN A 129 9.473 -1.263 1.656 1.00 0.33 O ATOM 1953 CB GLN A 129 10.525 1.679 2.319 1.00 0.32 C ATOM 1954 CG GLN A 129 11.025 2.708 1.320 1.00 0.42 C ATOM 1955 CD GLN A 129 12.447 3.152 1.590 1.00 0.54 C ATOM 1956 OE1 GLN A 129 12.821 4.289 1.304 1.00 1.17 O ATOM 1957 NE2 GLN A 129 13.255 2.260 2.136 1.00 1.31 N ATOM 0 H GLN A 129 8.314 2.460 3.305 1.00 0.24 H new ATOM 0 HA GLN A 129 9.068 1.148 0.865 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.460 2.140 3.304 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.252 0.871 2.393 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.965 2.290 0.315 1.00 0.42 H new ATOM 0 HG3 GLN A 129 10.368 3.578 1.343 1.00 0.42 H new ATOM 0 HE21 GLN A 129 12.908 1.327 2.359 1.00 1.31 H new ATOM 0 HE22 GLN A 129 14.225 2.505 2.334 1.00 1.31 H new ATOM 1966 N GLU A 130 8.545 -0.588 3.583 1.00 0.37 N ATOM 1967 CA GLU A 130 8.311 -1.947 4.059 1.00 0.43 C ATOM 1968 C GLU A 130 7.280 -2.611 3.161 1.00 0.36 C ATOM 1969 O GLU A 130 7.310 -3.824 2.921 1.00 0.35 O ATOM 1970 CB GLU A 130 7.809 -1.927 5.497 1.00 0.61 C ATOM 1971 CG GLU A 130 8.500 -0.883 6.345 1.00 0.63 C ATOM 1972 CD GLU A 130 8.008 -0.864 7.778 1.00 1.04 C ATOM 1973 OE1 GLU A 130 7.408 -1.865 8.218 1.00 1.63 O ATOM 1974 OE2 GLU A 130 8.233 0.146 8.476 1.00 1.64 O ATOM 0 H GLU A 130 8.267 0.145 4.236 1.00 0.37 H new ATOM 0 HA GLU A 130 9.246 -2.507 4.029 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.736 -1.738 5.500 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.961 -2.910 5.944 1.00 0.61 H new ATOM 0 HG2 GLU A 130 9.574 -1.070 6.338 1.00 0.63 H new ATOM 0 HG3 GLU A 130 8.344 0.100 5.900 1.00 0.63 H new ATOM 1981 N LEU A 131 6.384 -1.783 2.640 1.00 0.36 N ATOM 1982 CA LEU A 131 5.383 -2.240 1.704 1.00 0.37 C ATOM 1983 C LEU A 131 6.061 -2.809 0.477 1.00 0.29 C ATOM 1984 O LEU A 131 5.743 -3.912 0.035 1.00 0.32 O ATOM 1985 CB LEU A 131 4.438 -1.105 1.283 1.00 0.49 C ATOM 1986 CG LEU A 131 3.240 -0.832 2.202 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.826 -2.076 2.926 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.534 0.262 3.200 1.00 1.18 C ATOM 0 H LEU A 131 6.336 -0.787 2.856 1.00 0.36 H new ATOM 0 HA LEU A 131 4.788 -3.008 2.198 1.00 0.37 H new ATOM 0 HB2 LEU A 131 5.022 -0.188 1.203 1.00 0.49 H new ATOM 0 HB3 LEU A 131 4.058 -1.330 0.286 1.00 0.49 H new ATOM 0 HG LEU A 131 2.422 -0.500 1.563 1.00 0.71 H new ATOM 0 HD11 LEU A 131 1.975 -1.856 3.571 1.00 1.36 H new ATOM 0 HD12 LEU A 131 2.545 -2.841 2.203 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.657 -2.438 3.532 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.660 0.424 3.831 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.381 -0.030 3.821 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.774 1.184 2.670 1.00 1.18 H new ATOM 2000 N MET A 132 7.028 -2.069 -0.057 1.00 0.25 N ATOM 2001 CA MET A 132 7.691 -2.495 -1.279 1.00 0.26 C ATOM 2002 C MET A 132 8.599 -3.689 -1.029 1.00 0.30 C ATOM 2003 O MET A 132 9.057 -4.331 -1.973 1.00 0.37 O ATOM 2004 CB MET A 132 8.490 -1.363 -1.928 1.00 0.32 C ATOM 2005 CG MET A 132 9.819 -1.075 -1.248 1.00 0.88 C ATOM 2006 SD MET A 132 10.722 0.282 -2.008 1.00 1.60 S ATOM 2007 CE MET A 132 10.779 -0.252 -3.715 1.00 1.61 C ATOM 0 H MET A 132 7.364 -1.187 0.331 1.00 0.25 H new ATOM 0 HA MET A 132 6.901 -2.790 -1.970 1.00 0.26 H new ATOM 0 HB2 MET A 132 8.675 -1.615 -2.972 1.00 0.32 H new ATOM 0 HB3 MET A 132 7.886 -0.456 -1.921 1.00 0.32 H new ATOM 0 HG2 MET A 132 9.640 -0.842 -0.198 1.00 0.88 H new ATOM 0 HG3 MET A 132 10.436 -1.973 -1.274 1.00 0.88 H new ATOM 0 HE1 MET A 132 11.546 0.311 -4.247 1.00 1.61 H new ATOM 0 HE2 MET A 132 11.015 -1.315 -3.756 1.00 1.61 H new ATOM 0 HE3 MET A 132 9.811 -0.077 -4.184 1.00 1.61 H new ATOM 2017 N GLU A 133 8.846 -4.002 0.235 1.00 0.32 N ATOM 2018 CA GLU A 133 9.634 -5.169 0.566 1.00 0.40 C ATOM 2019 C GLU A 133 8.786 -6.405 0.340 1.00 0.38 C ATOM 2020 O GLU A 133 9.293 -7.480 0.024 1.00 0.45 O ATOM 2021 CB GLU A 133 10.135 -5.106 2.004 1.00 0.54 C ATOM 2022 CG GLU A 133 11.058 -3.930 2.265 1.00 0.79 C ATOM 2023 CD GLU A 133 11.879 -4.104 3.518 1.00 1.07 C ATOM 2024 OE1 GLU A 133 11.325 -3.968 4.626 1.00 1.53 O ATOM 2025 OE2 GLU A 133 13.088 -4.396 3.399 1.00 1.67 O ATOM 0 H GLU A 133 8.514 -3.467 1.037 1.00 0.32 H new ATOM 0 HA GLU A 133 10.514 -5.206 -0.076 1.00 0.40 H new ATOM 0 HB2 GLU A 133 9.280 -5.045 2.677 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.661 -6.031 2.240 1.00 0.54 H new ATOM 0 HG2 GLU A 133 11.725 -3.801 1.413 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.465 -3.019 2.347 1.00 0.79 H new ATOM 2032 N TYR A 134 7.480 -6.228 0.497 1.00 0.35 N ATOM 2033 CA TYR A 134 6.515 -7.223 0.083 1.00 0.40 C ATOM 2034 C TYR A 134 5.934 -6.846 -1.285 1.00 0.41 C ATOM 2035 O TYR A 134 4.777 -7.135 -1.603 1.00 0.50 O ATOM 2036 CB TYR A 134 5.451 -7.381 1.157 1.00 0.46 C ATOM 2037 CG TYR A 134 5.991 -8.108 2.374 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.596 -9.358 2.272 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.859 -7.549 3.637 1.00 0.88 C ATOM 2040 CE1 TYR A 134 7.054 -10.019 3.394 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.310 -8.208 4.763 1.00 0.95 C ATOM 2042 CZ TYR A 134 7.055 -9.438 4.574 1.00 0.80 C ATOM 2043 OH TYR A 134 7.362 -10.105 5.757 1.00 0.95 O ATOM 0 H TYR A 134 7.068 -5.393 0.913 1.00 0.35 H new ATOM 0 HA TYR A 134 6.997 -8.194 -0.035 1.00 0.40 H new ATOM 0 HB2 TYR A 134 5.083 -6.399 1.453 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.602 -7.931 0.751 1.00 0.46 H new ATOM 0 HD1 TYR A 134 6.709 -9.817 1.301 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.394 -6.580 3.741 1.00 0.88 H new ATOM 0 HE1 TYR A 134 7.418 -11.032 3.301 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.115 -7.821 5.752 1.00 0.95 H new ATOM 0 HH TYR A 134 7.301 -9.481 6.510 1.00 0.95 H new ATOM 2053 N ASN A 135 6.791 -6.185 -2.072 1.00 0.36 N ATOM 2054 CA ASN A 135 6.533 -5.811 -3.464 1.00 0.43 C ATOM 2055 C ASN A 135 5.298 -4.923 -3.619 1.00 0.48 C ATOM 2056 O ASN A 135 4.502 -5.082 -4.546 1.00 0.64 O ATOM 2057 CB ASN A 135 6.417 -7.061 -4.337 1.00 0.58 C ATOM 2058 CG ASN A 135 6.450 -6.754 -5.818 1.00 0.71 C ATOM 2059 OD1 ASN A 135 7.047 -5.770 -6.253 1.00 0.89 O ATOM 2060 ND2 ASN A 135 5.832 -7.610 -6.604 1.00 1.10 N ATOM 0 H ASN A 135 7.711 -5.887 -1.746 1.00 0.36 H new ATOM 0 HA ASN A 135 7.384 -5.219 -3.799 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.232 -7.743 -4.095 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.487 -7.578 -4.100 1.00 0.58 H new ATOM 0 HD21 ASN A 135 5.837 -7.470 -7.614 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.348 -8.413 -6.203 1.00 1.10 H new ATOM 2067 N LEU A 136 5.143 -3.990 -2.711 1.00 0.44 N ATOM 2068 CA LEU A 136 4.117 -2.985 -2.832 1.00 0.54 C ATOM 2069 C LEU A 136 4.741 -1.643 -3.118 1.00 0.41 C ATOM 2070 O LEU A 136 5.178 -0.938 -2.210 1.00 0.47 O ATOM 2071 CB LEU A 136 3.305 -2.937 -1.566 1.00 0.78 C ATOM 2072 CG LEU A 136 2.476 -4.184 -1.314 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.984 -4.199 0.116 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.323 -4.233 -2.297 1.00 1.17 C ATOM 0 H LEU A 136 5.720 -3.907 -1.874 1.00 0.44 H new ATOM 0 HA LEU A 136 3.456 -3.238 -3.661 1.00 0.54 H new ATOM 0 HB2 LEU A 136 3.977 -2.784 -0.722 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.641 -2.074 -1.606 1.00 0.78 H new ATOM 0 HG LEU A 136 3.091 -5.071 -1.463 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.390 -5.097 0.287 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.837 -4.193 0.794 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.369 -3.318 0.299 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.728 -5.128 -2.116 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.698 -3.350 -2.169 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.713 -4.256 -3.315 1.00 1.17 H new ATOM 2086 N VAL A 137 4.796 -1.294 -4.385 1.00 0.31 N ATOM 2087 CA VAL A 137 5.501 -0.101 -4.791 1.00 0.27 C ATOM 2088 C VAL A 137 4.539 1.041 -5.039 1.00 0.29 C ATOM 2089 O VAL A 137 3.655 0.955 -5.891 1.00 0.33 O ATOM 2090 CB VAL A 137 6.349 -0.316 -6.048 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.208 0.917 -6.307 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.199 -1.568 -5.909 1.00 0.41 C ATOM 0 H VAL A 137 4.363 -1.817 -5.147 1.00 0.31 H new ATOM 0 HA VAL A 137 6.169 0.148 -3.966 1.00 0.27 H new ATOM 0 HB VAL A 137 5.692 -0.461 -6.906 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.810 0.760 -7.202 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.565 1.785 -6.450 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.865 1.089 -5.454 1.00 0.43 H new ATOM 0 HG21 VAL A 137 7.795 -1.705 -6.811 1.00 0.41 H new ATOM 0 HG22 VAL A 137 7.861 -1.465 -5.049 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.552 -2.433 -5.767 1.00 0.41 H new ATOM 2102 N PRO A 138 4.691 2.093 -4.238 1.00 0.34 N ATOM 2103 CA PRO A 138 3.963 3.339 -4.374 1.00 0.43 C ATOM 2104 C PRO A 138 3.878 3.821 -5.802 1.00 0.43 C ATOM 2105 O PRO A 138 4.816 3.687 -6.591 1.00 0.45 O ATOM 2106 CB PRO A 138 4.803 4.309 -3.558 1.00 0.53 C ATOM 2107 CG PRO A 138 5.422 3.482 -2.499 1.00 0.54 C ATOM 2108 CD PRO A 138 5.569 2.107 -3.070 1.00 0.39 C ATOM 0 HA PRO A 138 2.928 3.238 -4.047 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.561 4.791 -4.176 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.188 5.101 -3.131 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.391 3.887 -2.206 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.800 3.467 -1.604 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.603 1.903 -3.349 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.278 1.345 -2.347 1.00 0.39 H new ATOM 2116 N GLU A 139 2.746 4.405 -6.108 1.00 0.48 N ATOM 2117 CA GLU A 139 2.532 5.010 -7.420 1.00 0.56 C ATOM 2118 C GLU A 139 3.360 6.279 -7.530 1.00 0.56 C ATOM 2119 O GLU A 139 3.666 6.753 -8.626 1.00 0.64 O ATOM 2120 CB GLU A 139 1.056 5.313 -7.669 1.00 0.71 C ATOM 2121 CG GLU A 139 0.206 4.077 -7.899 1.00 1.35 C ATOM 2122 CD GLU A 139 0.643 3.296 -9.115 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.650 2.573 -9.020 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.008 3.414 -10.171 1.00 2.78 O ATOM 0 H GLU A 139 1.952 4.480 -5.473 1.00 0.48 H new ATOM 0 HA GLU A 139 2.848 4.298 -8.182 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.659 5.862 -6.815 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.971 5.968 -8.536 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.258 3.435 -7.020 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.837 4.373 -8.016 1.00 1.35 H new ATOM 2131 N GLU A 140 3.724 6.819 -6.375 1.00 0.54 N ATOM 2132 CA GLU A 140 4.666 7.920 -6.301 1.00 0.60 C ATOM 2133 C GLU A 140 6.057 7.466 -6.747 1.00 0.56 C ATOM 2134 O GLU A 140 6.898 8.290 -7.104 1.00 0.65 O ATOM 2135 CB GLU A 140 4.729 8.511 -4.878 1.00 0.67 C ATOM 2136 CG GLU A 140 4.594 7.498 -3.763 1.00 0.63 C ATOM 2137 CD GLU A 140 3.151 7.259 -3.373 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.488 6.413 -4.012 1.00 1.57 O ATOM 2139 OE2 GLU A 140 2.676 7.922 -2.432 1.00 1.27 O ATOM 0 H GLU A 140 3.375 6.506 -5.469 1.00 0.54 H new ATOM 0 HA GLU A 140 4.316 8.702 -6.975 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.677 9.036 -4.760 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.938 9.253 -4.773 1.00 0.67 H new ATOM 0 HG2 GLU A 140 5.044 6.556 -4.075 1.00 0.63 H new ATOM 0 HG3 GLU A 140 5.151 7.844 -2.892 1.00 0.63 H new ATOM 2146 N TRP A 141 6.304 6.152 -6.727 1.00 0.47 N ATOM 2147 CA TRP A 141 7.592 5.615 -7.122 1.00 0.49 C ATOM 2148 C TRP A 141 7.489 4.857 -8.441 1.00 0.51 C ATOM 2149 O TRP A 141 8.501 4.463 -9.025 1.00 0.66 O ATOM 2150 CB TRP A 141 8.123 4.696 -6.048 1.00 0.45 C ATOM 2151 CG TRP A 141 8.230 5.327 -4.693 1.00 0.46 C ATOM 2152 CD1 TRP A 141 8.076 6.647 -4.366 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.518 4.651 -3.479 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.228 6.817 -3.013 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.506 5.605 -2.447 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.775 3.323 -3.169 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.749 5.266 -1.123 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.016 2.984 -1.858 1.00 0.50 C ATOM 2159 CH2 TRP A 141 8.996 3.950 -0.848 1.00 0.52 C ATOM 0 H TRP A 141 5.623 5.448 -6.440 1.00 0.47 H new ATOM 0 HA TRP A 141 8.278 6.451 -7.257 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.473 3.823 -5.979 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.108 4.337 -6.348 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.866 7.439 -5.070 1.00 0.54 H new ATOM 0 HE1 TRP A 141 8.147 7.702 -2.512 1.00 0.55 H new ATOM 0 HE3 TRP A 141 8.786 2.570 -3.943 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.743 6.012 -0.342 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.224 1.955 -1.605 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.180 3.650 0.173 1.00 0.52 H new ATOM 2170 N GLY A 142 6.262 4.634 -8.891 1.00 0.45 N ATOM 2171 CA GLY A 142 6.045 3.996 -10.175 1.00 0.50 C ATOM 2172 C GLY A 142 5.866 2.490 -10.080 1.00 0.45 C ATOM 2173 O GLY A 142 6.210 1.765 -11.014 1.00 0.53 O ATOM 0 H GLY A 142 5.410 4.884 -8.389 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.162 4.430 -10.643 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.891 4.213 -10.827 1.00 0.50 H new ATOM 2177 N GLY A 143 5.336 2.009 -8.959 1.00 0.39 N ATOM 2178 CA GLY A 143 5.072 0.587 -8.834 1.00 0.41 C ATOM 2179 C GLY A 143 3.684 0.215 -9.310 1.00 0.45 C ATOM 2180 O GLY A 143 3.414 0.233 -10.513 1.00 0.60 O ATOM 0 H GLY A 143 5.087 2.570 -8.145 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.812 0.031 -9.409 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.188 0.289 -7.792 1.00 0.41 H new ATOM 2184 N ASP A 144 2.808 -0.131 -8.371 1.00 0.40 N ATOM 2185 CA ASP A 144 1.409 -0.390 -8.701 1.00 0.45 C ATOM 2186 C ASP A 144 0.545 -0.405 -7.438 1.00 0.33 C ATOM 2187 O ASP A 144 -0.119 -1.401 -7.089 1.00 0.35 O ATOM 2188 CB ASP A 144 1.280 -1.707 -9.461 1.00 0.64 C ATOM 2189 CG ASP A 144 -0.101 -1.931 -10.046 1.00 1.33 C ATOM 2190 OD1 ASP A 144 -0.457 -1.229 -11.015 1.00 1.91 O ATOM 2191 OD2 ASP A 144 -0.838 -2.796 -9.524 1.00 1.91 O ATOM 0 H ASP A 144 3.039 -0.238 -7.383 1.00 0.40 H new ATOM 0 HA ASP A 144 1.051 0.416 -9.342 1.00 0.45 H new ATOM 0 HB2 ASP A 144 2.015 -1.727 -10.266 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.520 -2.531 -8.789 1.00 0.64 H new ATOM 2196 N THR A 145 0.540 0.725 -6.763 1.00 0.26 N ATOM 2197 CA THR A 145 -0.246 0.903 -5.557 1.00 0.24 C ATOM 2198 C THR A 145 -0.353 2.378 -5.197 1.00 0.27 C ATOM 2199 O THR A 145 0.659 3.036 -4.954 1.00 0.37 O ATOM 2200 CB THR A 145 0.369 0.156 -4.358 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.383 -1.259 -4.583 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.411 0.462 -3.099 1.00 0.30 C ATOM 0 H THR A 145 1.080 1.547 -7.033 1.00 0.26 H new ATOM 0 HA THR A 145 -1.234 0.493 -5.765 1.00 0.24 H new ATOM 0 HB THR A 145 1.398 0.497 -4.241 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.154 -1.470 -5.375 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.032 -0.071 -2.258 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.382 1.534 -2.905 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.446 0.144 -3.226 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.565 2.906 -5.162 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.762 4.264 -4.709 1.00 0.28 C ATOM 2212 C ILE A 146 -1.575 4.322 -3.198 1.00 0.23 C ATOM 2213 O ILE A 146 -2.419 3.853 -2.428 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.151 4.805 -5.099 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.224 5.088 -6.602 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.479 6.056 -4.304 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.343 6.237 -7.048 1.00 0.63 C ATOM 0 H ILE A 146 -2.416 2.418 -5.440 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.022 4.898 -5.198 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.891 4.041 -4.861 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.937 4.189 -7.147 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.257 5.308 -6.872 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.464 6.423 -4.593 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.478 5.821 -3.240 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.732 6.823 -4.508 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.447 6.379 -8.124 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.644 7.148 -6.531 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.303 6.012 -6.810 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.437 4.842 -2.791 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.114 4.991 -1.385 1.00 0.30 C ATOM 2231 C PHE A 147 -0.642 6.314 -0.855 1.00 0.32 C ATOM 2232 O PHE A 147 -0.254 7.386 -1.321 1.00 0.50 O ATOM 2233 CB PHE A 147 1.394 4.931 -1.186 1.00 0.41 C ATOM 2234 CG PHE A 147 1.944 3.541 -1.059 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.943 2.690 -2.140 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.462 3.085 0.144 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.452 1.413 -2.038 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.972 1.805 0.250 1.00 0.36 C ATOM 2239 CZ PHE A 147 2.968 0.969 -0.844 1.00 0.33 C ATOM 0 H PHE A 147 0.291 5.174 -3.424 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.585 4.175 -0.836 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.880 5.426 -2.027 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.653 5.495 -0.290 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.537 3.027 -3.082 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.467 3.736 1.006 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.445 0.760 -2.898 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.374 1.460 1.191 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.368 -0.031 -0.764 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.550 6.234 0.091 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.084 7.409 0.744 1.00 0.27 C ATOM 2251 C CYS A 148 -1.464 7.576 2.128 1.00 0.31 C ATOM 2252 O CYS A 148 -1.368 6.618 2.887 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.600 7.284 0.858 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.449 7.128 -0.729 1.00 0.68 S ATOM 0 H CYS A 148 -1.939 5.354 0.430 1.00 0.26 H new ATOM 0 HA CYS A 148 -1.839 8.289 0.149 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.837 6.415 1.472 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -3.988 8.158 1.381 1.00 0.30 H new ATOM 0 HG CYS A 148 -4.920 5.923 -0.852 1.00 0.68 H new ATOM 2260 N LYS A 149 -1.025 8.782 2.443 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.496 9.084 3.769 1.00 0.28 C ATOM 2262 C LYS A 149 -1.550 9.835 4.570 1.00 0.28 C ATOM 2263 O LYS A 149 -1.836 10.999 4.288 1.00 0.40 O ATOM 2264 CB LYS A 149 0.777 9.926 3.650 1.00 0.36 C ATOM 2265 CG LYS A 149 1.908 9.229 2.906 1.00 0.56 C ATOM 2266 CD LYS A 149 3.079 10.172 2.681 1.00 0.89 C ATOM 2267 CE LYS A 149 4.270 9.452 2.068 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.418 10.374 1.845 1.00 1.44 N ATOM 0 H LYS A 149 -1.023 9.573 1.799 1.00 0.29 H new ATOM 0 HA LYS A 149 -0.248 8.154 4.281 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.538 10.858 3.138 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.121 10.191 4.650 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.241 8.361 3.475 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.544 8.861 1.947 1.00 0.56 H new ATOM 0 HD2 LYS A 149 2.770 10.987 2.026 1.00 0.89 H new ATOM 0 HD3 LYS A 149 3.373 10.620 3.630 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.579 8.638 2.723 1.00 1.01 H new ATOM 0 HE3 LYS A 149 3.975 9.003 1.120 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 5.932 10.088 0.987 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.066 11.346 1.730 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 6.060 10.333 2.662 1.00 1.44 H new ATOM 2282 N LEU A 150 -2.146 9.172 5.552 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.257 9.752 6.279 1.00 0.22 C ATOM 2284 C LEU A 150 -3.166 9.498 7.776 1.00 0.19 C ATOM 2285 O LEU A 150 -2.196 8.971 8.298 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.574 9.188 5.734 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.801 7.693 5.903 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.603 7.386 7.155 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.474 7.117 4.669 1.00 0.84 C ATOM 0 H LEU A 150 -1.877 8.237 5.859 1.00 0.21 H new ATOM 0 HA LEU A 150 -3.219 10.831 6.133 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.396 9.714 6.220 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.630 9.422 4.671 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.827 7.218 6.020 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.745 6.309 7.241 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.066 7.753 8.030 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.575 7.876 7.094 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.629 6.047 4.805 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.436 7.607 4.517 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.840 7.283 3.798 1.00 0.84 H new ATOM 2301 N SER A 151 -4.229 9.874 8.436 1.00 0.26 N ATOM 2302 CA SER A 151 -4.417 9.672 9.851 1.00 0.29 C ATOM 2303 C SER A 151 -5.893 9.779 10.118 1.00 0.25 C ATOM 2304 O SER A 151 -6.469 10.868 10.056 1.00 0.29 O ATOM 2305 CB SER A 151 -3.657 10.678 10.687 1.00 0.46 C ATOM 2306 OG SER A 151 -2.748 10.004 11.509 1.00 1.77 O ATOM 0 H SER A 151 -5.016 10.346 7.989 1.00 0.26 H new ATOM 0 HA SER A 151 -4.028 8.693 10.132 1.00 0.29 H new ATOM 0 HB2 SER A 151 -3.130 11.380 10.041 1.00 0.46 H new ATOM 0 HB3 SER A 151 -4.350 11.261 11.293 1.00 0.46 H new ATOM 0 HG SER A 151 -3.049 10.055 12.440 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.518 8.650 10.355 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.942 8.635 10.618 1.00 0.31 C ATOM 2314 C ALA A 152 -8.210 9.275 11.962 1.00 0.33 C ATOM 2315 O ALA A 152 -9.344 9.622 12.292 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.483 7.228 10.562 1.00 0.41 C ATOM 0 H ALA A 152 -6.069 7.734 10.372 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.457 9.209 9.848 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.554 7.242 10.763 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.305 6.809 9.572 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.981 6.615 11.311 1.00 0.41 H new ATOM 2322 N LYS A 153 -7.140 9.430 12.728 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.192 10.188 13.961 1.00 0.34 C ATOM 2324 C LYS A 153 -7.541 11.647 13.676 1.00 0.36 C ATOM 2325 O LYS A 153 -8.540 12.158 14.175 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.858 10.111 14.675 1.00 0.35 C ATOM 2327 CG LYS A 153 -5.975 9.952 16.178 1.00 0.60 C ATOM 2328 CD LYS A 153 -6.592 11.179 16.837 1.00 1.12 C ATOM 2329 CE LYS A 153 -6.670 11.027 18.348 1.00 1.65 C ATOM 2330 NZ LYS A 153 -7.534 9.886 18.746 1.00 2.30 N ATOM 0 H LYS A 153 -6.223 9.038 12.513 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.965 9.759 14.598 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.290 9.272 14.274 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.288 11.014 14.458 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.583 9.076 16.403 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -4.987 9.772 16.601 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -6.001 12.061 16.590 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -7.592 11.343 16.436 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -5.668 10.881 18.750 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -7.058 11.947 18.786 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -7.727 9.936 19.767 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -8.431 9.930 18.222 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -7.050 8.992 18.528 1.00 2.30 H new ATOM 2344 N THR A 154 -6.734 12.303 12.850 1.00 0.30 N ATOM 2345 CA THR A 154 -6.907 13.726 12.600 1.00 0.39 C ATOM 2346 C THR A 154 -7.965 14.011 11.538 1.00 0.36 C ATOM 2347 O THR A 154 -8.347 15.162 11.325 1.00 0.41 O ATOM 2348 CB THR A 154 -5.575 14.357 12.185 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.791 13.385 11.481 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.813 14.858 13.398 1.00 0.70 C ATOM 0 H THR A 154 -5.958 11.874 12.345 1.00 0.30 H new ATOM 0 HA THR A 154 -7.254 14.171 13.533 1.00 0.39 H new ATOM 0 HB THR A 154 -5.776 15.209 11.536 1.00 0.47 H new ATOM 0 HG1 THR A 154 -4.013 13.823 11.076 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.870 15.302 13.078 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.409 15.608 13.918 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.611 14.024 14.071 1.00 0.70 H new ATOM 2358 N LYS A 155 -8.427 12.948 10.880 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.462 13.046 9.845 1.00 0.32 C ATOM 2360 C LYS A 155 -8.973 13.843 8.656 1.00 0.34 C ATOM 2361 O LYS A 155 -9.682 14.689 8.122 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.749 13.672 10.382 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.484 12.782 11.352 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.654 11.387 10.783 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.637 10.574 11.615 1.00 0.61 C ATOM 2366 NZ LYS A 155 -12.303 10.600 13.067 1.00 1.36 N ATOM 0 H LYS A 155 -8.097 11.997 11.047 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.681 12.027 9.528 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -10.509 14.614 10.874 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -11.407 13.908 9.546 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.936 12.731 12.293 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -12.461 13.210 11.576 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -12.009 11.451 9.754 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.689 10.881 10.757 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -13.644 10.965 11.469 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -12.641 9.542 11.263 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -12.865 9.881 13.565 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -11.291 10.398 13.194 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -12.520 11.540 13.456 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.763 13.550 8.235 1.00 0.30 N ATOM 2381 CA GLU A 156 -7.161 14.282 7.129 1.00 0.33 C ATOM 2382 C GLU A 156 -7.171 13.421 5.884 1.00 0.28 C ATOM 2383 O GLU A 156 -7.903 13.662 4.917 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.716 14.654 7.454 1.00 0.40 C ATOM 2385 CG GLU A 156 -5.533 15.205 8.851 1.00 1.30 C ATOM 2386 CD GLU A 156 -4.081 15.474 9.177 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -3.371 14.529 9.558 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -3.643 16.636 9.047 1.00 1.52 O ATOM 0 H GLU A 156 -7.176 12.817 8.634 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.739 15.191 6.965 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.087 13.772 7.335 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.369 15.393 6.732 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -6.103 16.129 8.952 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -5.940 14.498 9.574 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.376 12.378 5.953 1.00 0.29 N ATOM 2396 CA GLY A 157 -6.177 11.519 4.825 1.00 0.28 C ATOM 2397 C GLY A 157 -7.376 10.650 4.498 1.00 0.27 C ATOM 2398 O GLY A 157 -7.374 9.978 3.476 1.00 0.29 O ATOM 0 H GLY A 157 -5.856 12.109 6.788 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.934 12.128 3.955 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.317 10.878 5.016 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.397 10.636 5.358 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.597 9.869 5.063 1.00 0.28 C ATOM 2404 C LEU A 158 -10.301 10.476 3.868 1.00 0.30 C ATOM 2405 O LEU A 158 -10.819 9.770 2.994 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.533 9.822 6.269 1.00 0.31 C ATOM 2407 CG LEU A 158 -10.070 8.926 7.417 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -11.146 8.846 8.490 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.720 7.537 6.905 1.00 0.80 C ATOM 0 H LEU A 158 -8.413 11.138 6.246 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.308 8.844 4.831 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.661 10.836 6.649 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.513 9.481 5.935 1.00 0.31 H new ATOM 0 HG LEU A 158 -9.173 9.362 7.857 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.803 8.205 9.302 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -11.349 9.845 8.877 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -12.058 8.431 8.061 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.393 6.914 7.737 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.598 7.089 6.440 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.918 7.611 6.170 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.300 11.799 3.822 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.850 12.508 2.686 1.00 0.38 C ATOM 2423 C ASP A 159 -9.944 12.313 1.488 1.00 0.32 C ATOM 2424 O ASP A 159 -10.405 12.015 0.391 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.021 13.996 2.989 1.00 0.50 C ATOM 2426 CG ASP A 159 -11.988 14.246 4.122 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -13.200 14.008 3.936 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -11.544 14.696 5.201 1.00 2.20 O ATOM 0 H ASP A 159 -9.925 12.398 4.557 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.838 12.103 2.467 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -10.052 14.426 3.241 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -11.374 14.508 2.094 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.639 12.434 1.719 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.651 12.247 0.662 1.00 0.30 C ATOM 2435 C HIS A 160 -7.691 10.816 0.115 1.00 0.28 C ATOM 2436 O HIS A 160 -7.274 10.562 -1.014 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.254 12.584 1.187 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.163 12.411 0.173 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -4.822 13.381 -0.745 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.341 11.365 -0.065 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -3.838 12.935 -1.504 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.523 11.714 -1.111 1.00 0.54 N ATOM 0 H HIS A 160 -8.242 12.661 2.631 1.00 0.30 H new ATOM 0 HA HIS A 160 -7.893 12.923 -0.158 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.248 13.616 1.539 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.039 11.952 2.049 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.330 10.427 0.470 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -3.369 13.478 -2.311 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -2.794 11.128 -1.517 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.208 9.892 0.914 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.296 8.498 0.518 1.00 0.28 C ATOM 2453 C LEU A 161 -9.297 8.355 -0.608 1.00 0.29 C ATOM 2454 O LEU A 161 -8.992 7.815 -1.672 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.723 7.637 1.709 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.706 6.130 1.472 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.291 5.645 1.195 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.297 5.400 2.668 1.00 1.16 C ATOM 0 H LEU A 161 -8.574 10.088 1.846 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.317 8.161 0.177 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -8.068 7.862 2.551 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.731 7.929 2.003 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.317 5.912 0.596 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.302 4.568 1.029 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -6.902 6.145 0.308 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.654 5.874 2.049 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.278 4.326 2.484 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.711 5.626 3.558 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.327 5.724 2.820 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.490 8.874 -0.373 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.536 8.835 -1.374 1.00 0.37 C ATOM 2472 C LEU A 162 -11.165 9.713 -2.568 1.00 0.38 C ATOM 2473 O LEU A 162 -11.606 9.463 -3.681 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.881 9.243 -0.752 1.00 0.47 C ATOM 2475 CG LEU A 162 -12.996 10.672 -0.206 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -13.263 11.678 -1.317 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -14.090 10.741 0.844 1.00 1.51 C ATOM 0 H LEU A 162 -10.756 9.326 0.502 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.642 7.815 -1.744 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -13.657 9.106 -1.505 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.100 8.552 0.062 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.042 10.934 0.252 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -13.338 12.679 -0.891 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -12.445 11.650 -2.037 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -14.197 11.426 -1.819 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -14.164 11.759 1.226 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -15.041 10.450 0.398 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -13.851 10.063 1.663 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.340 10.735 -2.331 1.00 0.37 N ATOM 2490 CA GLU A 163 -9.840 11.583 -3.410 1.00 0.44 C ATOM 2491 C GLU A 163 -9.009 10.769 -4.400 1.00 0.41 C ATOM 2492 O GLU A 163 -9.033 11.021 -5.606 1.00 0.50 O ATOM 2493 CB GLU A 163 -8.992 12.730 -2.855 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.777 13.722 -2.012 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.893 14.772 -1.370 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -7.676 14.792 -1.656 1.00 2.57 O ATOM 2497 OE2 GLU A 163 -9.409 15.589 -0.576 1.00 2.14 O ATOM 0 H GLU A 163 -10.006 10.993 -1.403 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.704 11.999 -3.928 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.185 12.314 -2.252 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.528 13.261 -3.686 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.523 14.213 -2.637 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.318 13.183 -1.234 1.00 1.03 H new ATOM 2504 N MET A 164 -8.277 9.791 -3.889 1.00 0.37 N ATOM 2505 CA MET A 164 -7.447 8.944 -4.736 1.00 0.39 C ATOM 2506 C MET A 164 -8.283 7.839 -5.362 1.00 0.37 C ATOM 2507 O MET A 164 -8.086 7.467 -6.518 1.00 0.43 O ATOM 2508 CB MET A 164 -6.294 8.345 -3.931 1.00 0.43 C ATOM 2509 CG MET A 164 -5.347 9.373 -3.324 1.00 0.64 C ATOM 2510 SD MET A 164 -4.328 10.243 -4.546 1.00 0.58 S ATOM 2511 CE MET A 164 -5.502 11.387 -5.272 1.00 0.53 C ATOM 0 H MET A 164 -8.240 9.563 -2.895 1.00 0.37 H new ATOM 0 HA MET A 164 -7.029 9.559 -5.533 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.707 7.732 -3.130 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.722 7.680 -4.578 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.930 10.104 -2.765 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.693 8.873 -2.610 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.017 12.349 -5.439 1.00 0.53 H new ATOM 0 HE2 MET A 164 -5.857 10.990 -6.223 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.347 11.519 -4.596 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.231 7.329 -4.591 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.120 6.276 -5.060 1.00 0.38 C ATOM 2523 C ILE A 165 -11.085 6.800 -6.123 1.00 0.44 C ATOM 2524 O ILE A 165 -11.308 6.147 -7.142 1.00 0.52 O ATOM 2525 CB ILE A 165 -10.923 5.672 -3.894 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -9.977 4.949 -2.929 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -11.995 4.730 -4.420 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -10.659 4.395 -1.699 1.00 0.50 C ATOM 0 H ILE A 165 -9.405 7.629 -3.632 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.495 5.500 -5.502 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.421 6.474 -3.350 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.488 4.132 -3.460 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.194 5.641 -2.617 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.554 4.311 -3.583 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.675 5.280 -5.071 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.526 3.923 -4.983 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -9.923 3.899 -1.067 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.124 5.209 -1.143 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.423 3.677 -1.999 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.658 7.977 -5.889 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.596 8.557 -6.842 1.00 0.57 C ATOM 2542 C LEU A 166 -11.862 8.994 -8.106 1.00 0.61 C ATOM 2543 O LEU A 166 -12.439 9.024 -9.187 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.401 9.704 -6.196 1.00 0.66 C ATOM 2545 CG LEU A 166 -13.218 11.107 -6.788 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -14.411 11.982 -6.440 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -11.947 11.750 -6.265 1.00 1.38 C ATOM 0 H LEU A 166 -11.491 8.542 -5.056 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.321 7.798 -7.135 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -14.459 9.448 -6.253 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -13.140 9.747 -5.139 1.00 0.66 H new ATOM 0 HG LEU A 166 -13.143 11.011 -7.871 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -14.270 12.976 -6.865 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -15.319 11.538 -6.848 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -14.501 12.061 -5.357 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -11.837 12.744 -6.698 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -12.000 11.831 -5.179 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -11.089 11.137 -6.541 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.574 9.286 -7.968 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.728 9.528 -9.128 1.00 0.64 C ATOM 2561 C LEU A 167 -9.772 8.296 -10.025 1.00 0.66 C ATOM 2562 O LEU A 167 -9.905 8.395 -11.245 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.289 9.825 -8.678 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.393 10.553 -9.697 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -6.959 9.622 -10.821 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -8.109 11.768 -10.261 1.00 1.51 C ATOM 0 H LEU A 167 -10.096 9.360 -7.070 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.090 10.393 -9.683 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.332 10.425 -7.769 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.811 8.881 -8.415 1.00 0.64 H new ATOM 0 HG LEU A 167 -6.496 10.885 -9.174 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -6.328 10.168 -11.522 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -6.399 8.785 -10.404 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.839 9.246 -11.342 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -7.462 12.271 -10.979 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -9.026 11.452 -10.758 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -8.354 12.455 -9.451 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.686 7.130 -9.396 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.818 5.864 -10.084 1.00 0.69 C ATOM 2580 C VAL A 168 -11.251 5.672 -10.590 1.00 0.77 C ATOM 2581 O VAL A 168 -11.464 5.157 -11.685 1.00 0.89 O ATOM 2582 CB VAL A 168 -9.430 4.700 -9.151 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -9.572 3.372 -9.859 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -8.009 4.879 -8.630 1.00 0.66 C ATOM 0 H VAL A 168 -9.522 7.042 -8.393 1.00 0.61 H new ATOM 0 HA VAL A 168 -9.143 5.870 -10.939 1.00 0.69 H new ATOM 0 HB VAL A 168 -10.112 4.707 -8.301 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -9.293 2.566 -9.180 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -10.606 3.237 -10.176 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -8.920 3.354 -10.732 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -7.755 4.047 -7.973 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -7.314 4.904 -9.469 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.940 5.814 -8.074 1.00 0.66 H new ATOM 2594 N SER A 169 -12.226 6.093 -9.786 1.00 0.74 N ATOM 2595 CA SER A 169 -13.632 6.050 -10.192 1.00 0.87 C ATOM 2596 C SER A 169 -13.846 6.758 -11.538 1.00 0.96 C ATOM 2597 O SER A 169 -14.520 6.224 -12.423 1.00 1.12 O ATOM 2598 CB SER A 169 -14.517 6.681 -9.107 1.00 0.88 C ATOM 2599 OG SER A 169 -15.898 6.584 -9.431 1.00 1.35 O ATOM 0 H SER A 169 -12.070 6.468 -8.850 1.00 0.74 H new ATOM 0 HA SER A 169 -13.916 5.005 -10.317 1.00 0.87 H new ATOM 0 HB2 SER A 169 -14.332 6.187 -8.153 1.00 0.88 H new ATOM 0 HB3 SER A 169 -14.246 7.729 -8.981 1.00 0.88 H new ATOM 0 HG SER A 169 -16.362 6.073 -8.735 1.00 1.35 H new ATOM 2605 N GLU A 170 -13.271 7.954 -11.698 1.00 0.96 N ATOM 2606 CA GLU A 170 -13.368 8.671 -12.971 1.00 1.11 C ATOM 2607 C GLU A 170 -12.451 8.050 -14.022 1.00 1.17 C ATOM 2608 O GLU A 170 -12.745 8.088 -15.219 1.00 1.37 O ATOM 2609 CB GLU A 170 -13.027 10.156 -12.815 1.00 1.26 C ATOM 2610 CG GLU A 170 -14.151 10.997 -12.233 1.00 1.84 C ATOM 2611 CD GLU A 170 -14.172 11.014 -10.722 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -13.424 11.820 -10.129 1.00 2.56 O ATOM 2613 OE2 GLU A 170 -14.950 10.245 -10.125 1.00 2.73 O ATOM 0 H GLU A 170 -12.742 8.439 -10.974 1.00 0.96 H new ATOM 0 HA GLU A 170 -14.404 8.586 -13.300 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -12.150 10.250 -12.175 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -12.755 10.559 -13.791 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -14.056 12.019 -12.598 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -15.105 10.616 -12.597 1.00 1.84 H new ATOM 2620 N MET A 171 -11.340 7.486 -13.569 1.00 1.11 N ATOM 2621 CA MET A 171 -10.378 6.837 -14.457 1.00 1.28 C ATOM 2622 C MET A 171 -11.029 5.652 -15.170 1.00 1.54 C ATOM 2623 O MET A 171 -10.846 5.463 -16.370 1.00 1.88 O ATOM 2624 CB MET A 171 -9.157 6.390 -13.639 1.00 1.31 C ATOM 2625 CG MET A 171 -7.978 5.877 -14.456 1.00 1.43 C ATOM 2626 SD MET A 171 -8.180 4.176 -15.021 1.00 1.66 S ATOM 2627 CE MET A 171 -8.384 3.318 -13.461 1.00 1.68 C ATOM 0 H MET A 171 -11.079 7.464 -12.583 1.00 1.11 H new ATOM 0 HA MET A 171 -10.050 7.542 -15.221 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.819 7.230 -13.033 1.00 1.31 H new ATOM 0 HB3 MET A 171 -9.469 5.605 -12.950 1.00 1.31 H new ATOM 0 HG2 MET A 171 -7.837 6.525 -15.321 1.00 1.43 H new ATOM 0 HG3 MET A 171 -7.072 5.946 -13.854 1.00 1.43 H new ATOM 0 HE1 MET A 171 -8.048 2.286 -13.566 1.00 1.68 H new ATOM 0 HE2 MET A 171 -7.793 3.815 -12.692 1.00 1.68 H new ATOM 0 HE3 MET A 171 -9.436 3.330 -13.174 1.00 1.68 H new ATOM 2637 N GLU A 172 -11.835 4.905 -14.420 1.00 1.62 N ATOM 2638 CA GLU A 172 -12.501 3.690 -14.905 1.00 2.07 C ATOM 2639 C GLU A 172 -13.579 4.001 -15.963 1.00 2.05 C ATOM 2640 O GLU A 172 -14.251 3.099 -16.466 1.00 2.58 O ATOM 2641 CB GLU A 172 -13.110 2.958 -13.690 1.00 2.47 C ATOM 2642 CG GLU A 172 -13.883 1.680 -14.001 1.00 3.01 C ATOM 2643 CD GLU A 172 -13.048 0.618 -14.688 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -12.074 0.131 -14.070 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -13.347 0.282 -15.849 1.00 4.04 O ATOM 0 H GLU A 172 -12.049 5.125 -13.447 1.00 1.62 H new ATOM 0 HA GLU A 172 -11.767 3.053 -15.400 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -12.305 2.713 -12.997 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -13.778 3.647 -13.173 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -14.283 1.272 -13.073 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -14.736 1.926 -14.634 1.00 3.01 H new ATOM 2652 N GLU A 173 -13.744 5.272 -16.315 1.00 1.85 N ATOM 2653 CA GLU A 173 -14.729 5.647 -17.323 1.00 2.28 C ATOM 2654 C GLU A 173 -14.418 5.008 -18.678 1.00 2.77 C ATOM 2655 O GLU A 173 -15.294 4.405 -19.299 1.00 3.47 O ATOM 2656 CB GLU A 173 -14.819 7.167 -17.487 1.00 2.50 C ATOM 2657 CG GLU A 173 -15.608 7.574 -18.722 1.00 2.86 C ATOM 2658 CD GLU A 173 -15.904 9.054 -18.797 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -14.967 9.852 -18.606 1.00 3.91 O ATOM 2660 OE2 GLU A 173 -17.072 9.428 -19.023 1.00 3.82 O ATOM 0 H GLU A 173 -13.215 6.051 -15.923 1.00 1.85 H new ATOM 0 HA GLU A 173 -15.690 5.274 -16.969 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -15.288 7.598 -16.602 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -13.813 7.583 -17.549 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -15.051 7.279 -19.611 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -16.549 7.024 -18.738 1.00 2.86 H new ATOM 2667 N LEU A 174 -13.179 5.135 -19.134 1.00 2.83 N ATOM 2668 CA LEU A 174 -12.822 4.648 -20.462 1.00 3.69 C ATOM 2669 C LEU A 174 -11.717 3.608 -20.387 1.00 3.89 C ATOM 2670 O LEU A 174 -11.861 2.497 -20.896 1.00 4.73 O ATOM 2671 CB LEU A 174 -12.399 5.813 -21.362 1.00 4.31 C ATOM 2672 CG LEU A 174 -12.068 5.430 -22.805 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -13.252 4.734 -23.457 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -11.669 6.660 -23.605 1.00 5.72 C ATOM 0 H LEU A 174 -12.414 5.564 -18.614 1.00 2.83 H new ATOM 0 HA LEU A 174 -13.703 4.172 -20.894 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -13.200 6.553 -21.373 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -11.526 6.295 -20.921 1.00 4.31 H new ATOM 0 HG LEU A 174 -11.226 4.738 -22.792 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -12.998 4.469 -24.483 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -13.496 3.830 -22.898 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -14.112 5.403 -23.457 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -11.437 6.368 -24.629 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -12.492 7.374 -23.609 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -10.791 7.120 -23.151 1.00 5.72 H new ATOM 2686 N LYS A 175 -10.615 3.971 -19.761 1.00 3.42 N ATOM 2687 CA LYS A 175 -9.500 3.056 -19.587 1.00 3.88 C ATOM 2688 C LYS A 175 -9.462 2.534 -18.158 1.00 4.00 C ATOM 2689 O LYS A 175 -10.197 3.018 -17.303 1.00 4.36 O ATOM 2690 CB LYS A 175 -8.168 3.723 -19.976 1.00 4.27 C ATOM 2691 CG LYS A 175 -8.090 5.226 -19.712 1.00 4.29 C ATOM 2692 CD LYS A 175 -8.047 5.563 -18.229 1.00 4.24 C ATOM 2693 CE LYS A 175 -7.723 7.035 -17.995 1.00 4.99 C ATOM 2694 NZ LYS A 175 -8.749 7.941 -18.581 1.00 5.49 N ATOM 0 H LYS A 175 -10.466 4.898 -19.362 1.00 3.42 H new ATOM 0 HA LYS A 175 -9.645 2.207 -20.255 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -7.362 3.232 -19.431 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -7.988 3.547 -21.037 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -7.202 5.630 -20.198 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -8.952 5.715 -20.166 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -9.008 5.325 -17.774 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -7.298 4.943 -17.736 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -7.646 7.222 -16.924 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -6.750 7.264 -18.429 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -8.503 8.929 -18.367 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -8.782 7.808 -19.612 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -9.680 7.720 -18.174 1.00 5.49 H new ATOM 2708 N ALA A 176 -8.642 1.528 -17.913 1.00 4.26 N ATOM 2709 CA ALA A 176 -8.500 0.974 -16.574 1.00 4.89 C ATOM 2710 C ALA A 176 -7.091 0.446 -16.367 1.00 5.36 C ATOM 2711 O ALA A 176 -6.867 -0.487 -15.594 1.00 5.78 O ATOM 2712 CB ALA A 176 -9.520 -0.130 -16.345 1.00 5.48 C ATOM 0 H ALA A 176 -8.064 1.077 -18.622 1.00 4.26 H new ATOM 0 HA ALA A 176 -8.682 1.768 -15.850 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -9.400 -0.533 -15.339 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -10.526 0.275 -16.456 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -9.366 -0.925 -17.075 1.00 5.48 H new ATOM 2718 N ASN A 177 -6.138 1.048 -17.069 1.00 5.66 N ATOM 2719 CA ASN A 177 -4.751 0.602 -17.009 1.00 6.40 C ATOM 2720 C ASN A 177 -3.787 1.668 -17.544 1.00 6.79 C ATOM 2721 O ASN A 177 -2.929 2.148 -16.800 1.00 6.94 O ATOM 2722 CB ASN A 177 -4.580 -0.717 -17.779 1.00 6.79 C ATOM 2723 CG ASN A 177 -3.164 -1.256 -17.730 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -2.455 -1.100 -16.738 1.00 7.72 O ATOM 2725 ND2 ASN A 177 -2.736 -1.884 -18.814 1.00 7.88 N ATOM 0 H ASN A 177 -6.300 1.845 -17.685 1.00 5.66 H new ATOM 0 HA ASN A 177 -4.502 0.434 -15.961 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -5.260 -1.462 -17.367 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -4.868 -0.563 -18.819 1.00 6.79 H new ATOM 0 HD21 ASN A 177 -1.788 -2.258 -18.846 1.00 7.88 H new ATOM 0 HD22 ASN A 177 -3.355 -1.994 -19.618 1.00 7.88 H new ATOM 2732 N PRO A 178 -3.902 2.070 -18.829 1.00 7.29 N ATOM 2733 CA PRO A 178 -2.961 2.985 -19.451 1.00 8.00 C ATOM 2734 C PRO A 178 -3.427 4.440 -19.410 1.00 8.71 C ATOM 2735 O PRO A 178 -3.803 4.977 -20.473 1.00 9.19 O ATOM 2736 CB PRO A 178 -2.922 2.462 -20.886 1.00 8.54 C ATOM 2737 CG PRO A 178 -4.269 1.844 -21.128 1.00 8.16 C ATOM 2738 CD PRO A 178 -4.945 1.681 -19.787 1.00 7.54 C ATOM 2739 OXT PRO A 178 -3.408 5.042 -18.321 1.00 9.00 O ATOM 0 HA PRO A 178 -1.995 3.006 -18.947 1.00 8.00 H new ATOM 0 HB2 PRO A 178 -2.729 3.269 -21.592 1.00 8.54 H new ATOM 0 HB3 PRO A 178 -2.126 1.729 -21.014 1.00 8.54 H new ATOM 0 HG2 PRO A 178 -4.868 2.476 -21.784 1.00 8.16 H new ATOM 0 HG3 PRO A 178 -4.164 0.879 -21.624 1.00 8.16 H new ATOM 0 HD2 PRO A 178 -5.826 2.317 -19.702 1.00 7.54 H new ATOM 0 HD3 PRO A 178 -5.276 0.655 -19.626 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.513 -2.898 16.192 1.00 0.68 P HETATM 2749 O1B GDP A 179 -7.376 -2.468 15.315 1.00 1.61 O HETATM 2750 O2B GDP A 179 -8.245 -4.200 16.936 1.00 1.63 O HETATM 2751 O3B GDP A 179 -9.897 -2.828 15.531 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.556 -1.749 17.399 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.381 -0.418 17.512 1.00 0.75 P HETATM 2754 O1A GDP A 179 -9.902 -0.216 18.886 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.347 -0.233 16.364 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.219 0.665 17.256 1.00 0.69 O HETATM 2757 C5' GDP A 179 -6.965 0.550 17.926 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.362 1.913 18.171 1.00 0.66 C HETATM 2759 O4' GDP A 179 -5.915 2.457 16.905 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.301 2.973 18.740 1.00 0.75 C HETATM 2761 O3' GDP A 179 -7.045 3.183 20.125 1.00 0.96 O HETATM 2762 C2' GDP A 179 -7.029 4.248 17.933 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.650 5.325 18.763 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.834 3.851 17.063 1.00 0.62 C HETATM 2765 N9 GDP A 179 -5.838 4.476 15.743 1.00 0.55 N HETATM 2766 C8 GDP A 179 -6.506 4.034 14.627 1.00 0.62 C HETATM 2767 N7 GDP A 179 -6.318 4.791 13.581 1.00 0.61 N HETATM 2768 C5 GDP A 179 -5.476 5.796 14.032 1.00 0.49 C HETATM 2769 C6 GDP A 179 -4.925 6.901 13.342 1.00 0.45 C HETATM 2770 O6 GDP A 179 -5.071 7.219 12.154 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.119 7.680 14.165 1.00 0.37 N HETATM 2772 C2 GDP A 179 -3.878 7.423 15.493 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.099 8.309 16.140 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.382 6.386 16.152 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.169 5.621 15.365 1.00 0.46 C HETATM 0 HO3' GDP A 179 -7.656 3.867 20.471 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -6.267 4.977 19.596 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.884 8.173 17.128 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.724 9.117 15.643 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.101 0.031 18.875 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -3.675 8.501 13.753 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.130 3.141 14.616 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.282 -0.053 17.328 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.579 1.727 18.906 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.344 2.668 18.661 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.909 4.579 17.382 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.918 4.183 17.551 1.00 0.62 H new