USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 SER OG : rot 180:sc= -0.202 USER MOD Set 1.2: A 99 THR OG1 : rot -82:sc= -0.0595 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 148 SER OG : rot -37:sc= 0.935 USER MOD Set 3.1: A 32 ASN : amide:sc= 0 K(o=-0.37,f=-1.3) USER MOD Set 3.2: A 34 MET CE :methyl 165:sc= -0.372 (180deg=-0.622) USER MOD Single : A 3 THR OG1 : rot -154:sc= -0.91 USER MOD Single : A 10 MET CE :methyl -165:sc= 0 (180deg=-0.244) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00766) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.169 USER MOD Single : A 31 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 46 THR OG1 : rot -67:sc= 0.507 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0342 (180deg=-0.248) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.772 K(o=-0.77,f=-3.6!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0445 (180deg=-0.321) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 170:sc= -0.225 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0432 (180deg=-0.302) USER MOD Single : A 76 MET CE :methyl 166:sc= -0.0671 (180deg=-0.187) USER MOD Single : A 78 HIS : no HE2:sc= -0.0124 K(o=-0.012,f=-0.8) USER MOD Single : A 80 ASN : amide:sc= -1.09 K(o=-1.1,f=-5.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0582 K(o=-0.058,f=-0.74) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.0155 F(o=-0.61,f=-0.016) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -7:sc= 0.841 USER MOD Single : A 108 SER OG : rot 67:sc= 1.16 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.713 F(o=-2,f=-0.71) USER MOD Single : A 111 SER OG : rot 73:sc= 0.962 USER MOD Single : A 123 ASN : amide:sc= -1.89! C(o=-1.9!,f=-7.3!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 161:sc= -0.148 (180deg=-0.564) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.436 2.620 7.100 1.00 0.00 N ATOM 32 CA THR A 3 -23.813 3.820 6.556 0.68 0.00 C ATOM 33 C THR A 3 -23.678 3.698 5.035 1.00 0.00 C ATOM 34 O THR A 3 -23.805 2.604 4.487 1.00 0.00 O ATOM 35 CB THR A 3 -22.432 4.067 7.211 0.64 0.00 C ATOM 36 OG1 THR A 3 -22.244 5.464 7.464 0.10 0.00 O ATOM 37 CG2 THR A 3 -21.296 3.554 6.338 1.00 0.00 C ATOM 0 HA THR A 3 -24.449 4.676 6.782 0.68 0.00 H new ATOM 0 HB THR A 3 -22.416 3.517 8.152 0.64 0.00 H new ATOM 0 HG1 THR A 3 -21.286 5.669 7.472 0.10 0.00 H new ATOM 0 HG21 THR A 3 -20.343 3.745 6.831 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.414 2.482 6.180 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.316 4.067 5.376 1.00 0.00 H new ATOM 45 N PRO A 4 -23.420 4.815 4.333 0.46 0.00 N ATOM 46 CA PRO A 4 -23.283 4.812 2.881 1.00 0.00 C ATOM 47 C PRO A 4 -21.901 4.357 2.437 0.87 0.00 C ATOM 48 O PRO A 4 -21.744 3.765 1.370 0.48 0.00 O ATOM 49 CB PRO A 4 -23.527 6.272 2.482 0.46 0.00 C ATOM 50 CG PRO A 4 -23.499 7.080 3.746 0.73 0.00 C ATOM 51 CD PRO A 4 -23.213 6.151 4.893 1.00 0.00 C ATOM 0 HA PRO A 4 -23.978 4.117 2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -22.761 6.616 1.787 0.46 0.00 H new ATOM 0 HB3 PRO A 4 -24.487 6.379 1.977 0.46 0.00 H new ATOM 0 HG2 PRO A 4 -22.735 7.855 3.685 0.73 0.00 H new ATOM 0 HG3 PRO A 4 -24.453 7.585 3.895 0.73 0.00 H new ATOM 0 HD2 PRO A 4 -22.195 6.275 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.881 6.338 5.734 1.00 0.00 H new ATOM 59 N ALA A 5 -20.899 4.639 3.263 0.20 0.00 N ATOM 60 CA ALA A 5 -19.532 4.248 2.959 0.11 0.00 C ATOM 61 C ALA A 5 -19.413 2.729 2.883 0.37 0.00 C ATOM 62 O ALA A 5 -18.632 2.193 2.097 0.19 0.00 O ATOM 63 CB ALA A 5 -18.574 4.806 4.003 0.23 0.00 C ATOM 0 H ALA A 5 -21.010 5.136 4.147 0.20 0.00 H new ATOM 0 HA ALA A 5 -19.264 4.663 1.987 0.11 0.00 H new ATOM 0 HB1 ALA A 5 -17.555 4.504 3.760 0.23 0.00 H new ATOM 0 HB2 ALA A 5 -18.638 5.894 4.011 0.23 0.00 H new ATOM 0 HB3 ALA A 5 -18.842 4.420 4.986 0.23 0.00 H new ATOM 69 N ARG A 6 -20.202 2.044 3.708 1.00 0.00 N ATOM 70 CA ARG A 6 -20.202 0.585 3.747 1.00 0.00 C ATOM 71 C ARG A 6 -20.828 0.011 2.480 0.70 0.00 C ATOM 72 O ARG A 6 -20.317 -0.946 1.900 0.06 0.00 O ATOM 73 CB ARG A 6 -20.971 0.089 4.977 0.25 0.00 C ATOM 74 CG ARG A 6 -20.869 -1.412 5.196 0.34 0.00 C ATOM 75 CD ARG A 6 -21.706 -1.855 6.386 0.17 0.00 C ATOM 76 NE ARG A 6 -21.573 -3.286 6.648 1.00 0.00 N ATOM 77 CZ ARG A 6 -22.064 -3.888 7.728 0.31 0.00 C ATOM 78 NH1 ARG A 6 -22.715 -3.184 8.644 0.18 0.00 N ATOM 79 NH2 ARG A 6 -21.904 -5.194 7.892 0.05 0.00 N ATOM 0 H ARG A 6 -20.853 2.480 4.362 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.168 0.245 3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.595 0.603 5.862 0.25 0.00 H new ATOM 0 HB3 ARG A 6 -22.021 0.362 4.873 0.25 0.00 H new ATOM 0 HG2 ARG A 6 -21.201 -1.936 4.300 0.34 0.00 H new ATOM 0 HG3 ARG A 6 -19.827 -1.688 5.359 0.34 0.00 H new ATOM 0 HD2 ARG A 6 -21.403 -1.295 7.271 0.17 0.00 H new ATOM 0 HD3 ARG A 6 -22.753 -1.616 6.201 0.17 0.00 H new ATOM 0 HE ARG A 6 -21.075 -3.856 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.840 -2.179 8.521 0.18 0.00 H new ATOM 0 HH12 ARG A 6 -23.091 -3.647 9.471 0.18 0.00 H new ATOM 0 HH21 ARG A 6 -21.404 -5.739 7.190 0.05 0.00 H new ATOM 0 HH22 ARG A 6 -22.281 -5.654 8.721 0.05 0.00 H new ATOM 93 N ARG A 7 -21.940 0.606 2.059 0.07 0.00 N ATOM 94 CA ARG A 7 -22.650 0.164 0.862 0.19 0.00 C ATOM 95 C ARG A 7 -21.749 0.225 -0.369 0.84 0.00 C ATOM 96 O ARG A 7 -21.725 -0.704 -1.176 0.61 0.00 O ATOM 97 CB ARG A 7 -23.893 1.030 0.644 0.14 0.00 C ATOM 98 CG ARG A 7 -24.684 0.663 -0.600 0.08 0.00 C ATOM 99 CD ARG A 7 -25.858 1.606 -0.809 0.37 0.00 C ATOM 100 NE ARG A 7 -25.430 2.999 -0.900 0.39 0.00 N ATOM 101 CZ ARG A 7 -26.270 4.030 -0.909 0.67 0.00 C ATOM 102 NH1 ARG A 7 -27.580 3.827 -0.844 0.42 0.00 N ATOM 103 NH2 ARG A 7 -25.800 5.268 -0.984 0.72 0.00 N ATOM 0 H ARG A 7 -22.371 1.400 2.532 0.07 0.00 H new ATOM 0 HA ARG A 7 -22.952 -0.873 1.009 0.19 0.00 H new ATOM 0 HB2 ARG A 7 -24.542 0.943 1.515 0.14 0.00 H new ATOM 0 HB3 ARG A 7 -23.589 2.075 0.575 0.14 0.00 H new ATOM 0 HG2 ARG A 7 -24.030 0.695 -1.471 0.08 0.00 H new ATOM 0 HG3 ARG A 7 -25.049 -0.360 -0.512 0.08 0.00 H new ATOM 0 HD2 ARG A 7 -26.388 1.329 -1.720 0.37 0.00 H new ATOM 0 HD3 ARG A 7 -26.563 1.496 0.015 0.37 0.00 H new ATOM 0 HE ARG A 7 -24.430 3.192 -0.960 0.39 0.00 H new ATOM 0 HH11 ARG A 7 -27.947 2.877 -0.787 0.42 0.00 H new ATOM 0 HH12 ARG A 7 -28.220 4.621 -0.851 0.42 0.00 H new ATOM 0 HH21 ARG A 7 -24.794 5.429 -1.035 0.72 0.00 H new ATOM 0 HH22 ARG A 7 -26.444 6.059 -0.991 0.72 0.00 H new ATOM 117 N ARG A 8 -21.013 1.324 -0.507 0.40 0.00 N ATOM 118 CA ARG A 8 -20.113 1.504 -1.641 1.00 0.00 C ATOM 119 C ARG A 8 -19.065 0.395 -1.690 0.66 0.00 C ATOM 120 O ARG A 8 -18.734 -0.111 -2.762 1.00 0.00 O ATOM 121 CB ARG A 8 -19.425 2.869 -1.563 0.29 0.00 C ATOM 122 CG ARG A 8 -20.389 4.047 -1.601 0.18 0.00 C ATOM 123 CD ARG A 8 -20.967 4.259 -2.993 0.31 0.00 C ATOM 124 NE ARG A 8 -21.949 3.236 -3.346 0.17 0.00 N ATOM 125 CZ ARG A 8 -22.608 3.217 -4.502 0.20 0.00 C ATOM 126 NH1 ARG A 8 -22.392 4.161 -5.406 1.00 0.00 N ATOM 127 NH2 ARG A 8 -23.485 2.255 -4.751 0.14 0.00 N ATOM 0 H ARG A 8 -21.022 2.103 0.152 0.40 0.00 H new ATOM 0 HA ARG A 8 -20.708 1.456 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.841 2.919 -0.644 0.29 0.00 H new ATOM 0 HB3 ARG A 8 -18.723 2.959 -2.392 0.29 0.00 H new ATOM 0 HG2 ARG A 8 -21.200 3.876 -0.893 0.18 0.00 H new ATOM 0 HG3 ARG A 8 -19.871 4.951 -1.281 0.18 0.00 H new ATOM 0 HD2 ARG A 8 -21.435 5.242 -3.044 0.31 0.00 H new ATOM 0 HD3 ARG A 8 -20.159 4.252 -3.725 0.31 0.00 H new ATOM 0 HE ARG A 8 -22.140 2.497 -2.670 0.17 0.00 H new ATOM 0 HH11 ARG A 8 -21.720 4.904 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -22.898 4.145 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.656 1.528 -4.056 0.14 0.00 H new ATOM 0 HH22 ARG A 8 -23.989 2.242 -5.637 0.14 0.00 H new ATOM 141 N LEU A 9 -18.552 0.023 -0.521 0.82 0.00 N ATOM 142 CA LEU A 9 -17.542 -1.028 -0.425 0.18 0.00 C ATOM 143 C LEU A 9 -18.065 -2.345 -0.987 0.96 0.00 C ATOM 144 O LEU A 9 -17.320 -3.103 -1.607 1.00 0.00 O ATOM 145 CB LEU A 9 -17.112 -1.217 1.031 0.36 0.00 C ATOM 146 CG LEU A 9 -16.174 -0.139 1.577 0.05 0.00 C ATOM 147 CD1 LEU A 9 -16.044 -0.263 3.088 0.70 0.00 C ATOM 148 CD2 LEU A 9 -14.808 -0.237 0.913 0.37 0.00 C ATOM 0 H LEU A 9 -18.819 0.433 0.374 0.82 0.00 H new ATOM 0 HA LEU A 9 -16.680 -0.721 -1.017 0.18 0.00 H new ATOM 0 HB2 LEU A 9 -18.005 -1.250 1.656 0.36 0.00 H new ATOM 0 HB3 LEU A 9 -16.621 -2.186 1.126 0.36 0.00 H new ATOM 0 HG LEU A 9 -16.599 0.838 1.347 0.05 0.00 H new ATOM 0 HD11 LEU A 9 -15.373 0.511 3.460 0.70 0.00 H new ATOM 0 HD12 LEU A 9 -17.025 -0.145 3.548 0.70 0.00 H new ATOM 0 HD13 LEU A 9 -15.641 -1.244 3.339 0.70 0.00 H new ATOM 0 HD21 LEU A 9 -14.153 0.537 1.313 0.37 0.00 H new ATOM 0 HD22 LEU A 9 -14.376 -1.217 1.113 0.37 0.00 H new ATOM 0 HD23 LEU A 9 -14.916 -0.101 -0.163 0.37 0.00 H new ATOM 160 N MET A 10 -19.347 -2.612 -0.761 1.00 0.00 N ATOM 161 CA MET A 10 -19.968 -3.838 -1.248 0.08 0.00 C ATOM 162 C MET A 10 -19.851 -3.939 -2.764 0.13 0.00 C ATOM 163 O MET A 10 -19.699 -5.030 -3.315 0.90 0.00 O ATOM 164 CB MET A 10 -21.440 -3.889 -0.834 0.49 0.00 C ATOM 165 CG MET A 10 -21.652 -3.792 0.668 0.85 0.00 C ATOM 166 SD MET A 10 -23.389 -3.923 1.135 1.00 0.00 S ATOM 167 CE MET A 10 -23.278 -3.708 2.909 1.00 0.00 C ATOM 0 H MET A 10 -19.975 -1.997 -0.244 1.00 0.00 H new ATOM 0 HA MET A 10 -19.444 -4.684 -0.803 0.08 0.00 H new ATOM 0 HB2 MET A 10 -21.975 -3.074 -1.322 0.49 0.00 H new ATOM 0 HB3 MET A 10 -21.879 -4.819 -1.195 0.49 0.00 H new ATOM 0 HG2 MET A 10 -21.086 -4.582 1.162 0.85 0.00 H new ATOM 0 HG3 MET A 10 -21.254 -2.843 1.027 0.85 0.00 H new ATOM 0 HE1 MET A 10 -24.213 -4.023 3.373 1.00 0.00 H new ATOM 0 HE2 MET A 10 -22.458 -4.312 3.298 1.00 0.00 H new ATOM 0 HE3 MET A 10 -23.096 -2.658 3.138 1.00 0.00 H new ATOM 177 N ARG A 11 -19.919 -2.793 -3.434 1.00 0.00 N ATOM 178 CA ARG A 11 -19.820 -2.743 -4.887 1.00 0.00 C ATOM 179 C ARG A 11 -18.380 -2.954 -5.344 1.00 0.00 C ATOM 180 O ARG A 11 -18.134 -3.460 -6.440 0.13 0.00 O ATOM 181 CB ARG A 11 -20.340 -1.401 -5.406 0.71 0.00 C ATOM 182 CG ARG A 11 -21.759 -1.083 -4.958 0.07 0.00 C ATOM 183 CD ARG A 11 -22.762 -2.078 -5.523 1.00 0.00 C ATOM 184 NE ARG A 11 -24.120 -1.807 -5.058 1.00 0.00 N ATOM 185 CZ ARG A 11 -25.190 -2.471 -5.481 0.78 0.00 C ATOM 186 NH1 ARG A 11 -25.064 -3.434 -6.383 0.07 0.00 N ATOM 187 NH2 ARG A 11 -26.391 -2.170 -5.004 0.36 0.00 N ATOM 0 H ARG A 11 -20.043 -1.883 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.432 -3.547 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.674 -0.607 -5.067 0.71 0.00 H new ATOM 0 HB3 ARG A 11 -20.304 -1.404 -6.495 0.71 0.00 H new ATOM 0 HG2 ARG A 11 -21.808 -1.094 -3.869 0.07 0.00 H new ATOM 0 HG3 ARG A 11 -22.025 -0.076 -5.279 0.07 0.00 H new ATOM 0 HD2 ARG A 11 -22.737 -2.040 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.474 -3.088 -5.233 1.00 0.00 H new ATOM 0 HE ARG A 11 -24.254 -1.066 -4.370 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.143 -3.667 -6.755 0.07 0.00 H new ATOM 0 HH12 ARG A 11 -25.888 -3.942 -6.705 0.07 0.00 H new ATOM 0 HH21 ARG A 11 -26.493 -1.428 -4.312 0.36 0.00 H new ATOM 0 HH22 ARG A 11 -27.212 -2.681 -5.330 0.36 0.00 H new ATOM 201 N ASP A 12 -17.434 -2.561 -4.497 1.00 0.00 N ATOM 202 CA ASP A 12 -16.017 -2.711 -4.811 1.00 0.00 C ATOM 203 C ASP A 12 -15.591 -4.172 -4.710 1.00 0.00 C ATOM 204 O ASP A 12 -14.814 -4.660 -5.531 0.54 0.00 O ATOM 205 CB ASP A 12 -15.169 -1.857 -3.868 0.40 0.00 C ATOM 206 CG ASP A 12 -15.447 -0.374 -4.022 1.00 0.00 C ATOM 207 OD1 ASP A 12 -15.019 0.207 -5.041 0.79 0.00 O ATOM 208 OD2 ASP A 12 -16.092 0.206 -3.123 0.46 0.00 O ATOM 0 H ASP A 12 -17.622 -2.137 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.861 -2.373 -5.835 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -15.364 -2.155 -2.838 0.40 0.00 H new ATOM 0 HB3 ASP A 12 -14.113 -2.048 -4.060 0.40 0.00 H new ATOM 213 N PHE A 13 -16.106 -4.862 -3.698 0.07 0.00 N ATOM 214 CA PHE A 13 -15.781 -6.268 -3.488 1.00 0.00 C ATOM 215 C PHE A 13 -16.326 -7.123 -4.627 1.00 0.00 C ATOM 216 O PHE A 13 -15.626 -7.988 -5.158 1.00 0.00 O ATOM 217 CB PHE A 13 -16.348 -6.749 -2.149 1.00 0.00 C ATOM 218 CG PHE A 13 -16.153 -8.218 -1.900 0.35 0.00 C ATOM 219 CD1 PHE A 13 -14.887 -8.782 -1.943 0.11 0.00 C ATOM 220 CD2 PHE A 13 -17.236 -9.033 -1.618 0.12 0.00 C ATOM 221 CE1 PHE A 13 -14.709 -10.133 -1.712 0.11 0.00 C ATOM 222 CE2 PHE A 13 -17.064 -10.384 -1.387 0.22 0.00 C ATOM 223 CZ PHE A 13 -15.798 -10.935 -1.433 0.81 0.00 C ATOM 0 H PHE A 13 -16.750 -4.471 -3.011 0.07 0.00 H new ATOM 0 HA PHE A 13 -14.696 -6.370 -3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -15.876 -6.188 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -17.414 -6.522 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -14.031 -8.159 -2.159 0.11 0.00 H new ATOM 0 HD2 PHE A 13 -18.228 -8.607 -1.578 0.12 0.00 H new ATOM 0 HE1 PHE A 13 -13.718 -10.561 -1.750 0.11 0.00 H new ATOM 0 HE2 PHE A 13 -17.918 -11.009 -1.171 0.22 0.00 H new ATOM 0 HZ PHE A 13 -15.660 -11.991 -1.251 0.81 0.00 H new ATOM 233 N LYS A 14 -17.578 -6.877 -4.995 0.05 0.00 N ATOM 234 CA LYS A 14 -18.224 -7.612 -6.070 0.11 0.00 C ATOM 235 C LYS A 14 -17.397 -7.548 -7.351 0.07 0.00 C ATOM 236 O LYS A 14 -17.302 -8.527 -8.091 0.07 0.00 O ATOM 237 CB LYS A 14 -19.612 -7.038 -6.322 0.88 0.00 C ATOM 238 CG LYS A 14 -20.628 -8.085 -6.723 0.67 0.00 C ATOM 239 CD LYS A 14 -22.026 -7.508 -6.765 0.44 0.00 C ATOM 240 CE LYS A 14 -22.248 -6.668 -8.013 0.35 0.00 C ATOM 241 NZ LYS A 14 -23.638 -6.140 -8.088 1.00 0.00 N ATOM 0 H LYS A 14 -18.168 -6.168 -4.559 0.05 0.00 H new ATOM 0 HA LYS A 14 -18.309 -8.657 -5.770 0.11 0.00 H new ATOM 0 HB2 LYS A 14 -19.958 -6.532 -5.420 0.88 0.00 H new ATOM 0 HB3 LYS A 14 -19.549 -6.284 -7.106 0.88 0.00 H new ATOM 0 HG2 LYS A 14 -20.370 -8.489 -7.702 0.67 0.00 H new ATOM 0 HG3 LYS A 14 -20.596 -8.915 -6.017 0.67 0.00 H new ATOM 0 HD2 LYS A 14 -22.755 -8.318 -6.736 0.44 0.00 H new ATOM 0 HD3 LYS A 14 -22.194 -6.896 -5.879 0.44 0.00 H new ATOM 0 HE2 LYS A 14 -21.543 -5.837 -8.021 0.35 0.00 H new ATOM 0 HE3 LYS A 14 -22.040 -7.270 -8.897 0.35 0.00 H new ATOM 0 HZ1 LYS A 14 -23.738 -5.545 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -24.308 -6.933 -8.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.840 -5.572 -7.241 1.00 0.00 H new ATOM 255 N ARG A 15 -16.803 -6.389 -7.605 0.18 0.00 N ATOM 256 CA ARG A 15 -15.984 -6.186 -8.795 0.32 0.00 C ATOM 257 C ARG A 15 -14.592 -6.788 -8.615 1.00 0.00 C ATOM 258 O ARG A 15 -13.926 -7.138 -9.589 0.33 0.00 O ATOM 259 CB ARG A 15 -15.873 -4.693 -9.111 0.36 0.00 C ATOM 260 CG ARG A 15 -15.001 -4.381 -10.317 1.00 0.00 C ATOM 261 CD ARG A 15 -15.596 -4.941 -11.600 0.31 0.00 C ATOM 262 NE ARG A 15 -14.789 -4.604 -12.770 0.06 0.00 N ATOM 263 CZ ARG A 15 -15.186 -4.804 -14.025 1.00 0.00 C ATOM 264 NH1 ARG A 15 -16.378 -5.331 -14.269 0.06 0.00 N ATOM 265 NH2 ARG A 15 -14.392 -4.475 -15.034 1.00 0.00 N ATOM 0 H ARG A 15 -16.873 -5.571 -7.000 0.18 0.00 H new ATOM 0 HA ARG A 15 -16.469 -6.693 -9.629 0.32 0.00 H new ATOM 0 HB2 ARG A 15 -16.872 -4.293 -9.284 0.36 0.00 H new ATOM 0 HB3 ARG A 15 -15.470 -4.176 -8.240 0.36 0.00 H new ATOM 0 HG2 ARG A 15 -14.883 -3.302 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.006 -4.799 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.680 -6.025 -11.518 0.31 0.00 H new ATOM 0 HD3 ARG A 15 -16.606 -4.552 -11.732 0.31 0.00 H new ATOM 0 HE ARG A 15 -13.869 -4.192 -12.617 0.06 0.00 H new ATOM 0 HH11 ARG A 15 -16.992 -5.584 -13.495 0.06 0.00 H new ATOM 0 HH12 ARG A 15 -16.681 -5.484 -15.231 0.06 0.00 H new ATOM 0 HH21 ARG A 15 -13.475 -4.068 -14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.698 -4.629 -15.995 1.00 0.00 H new ATOM 279 N LEU A 16 -14.158 -6.901 -7.363 0.15 0.00 N ATOM 280 CA LEU A 16 -12.840 -7.446 -7.056 0.49 0.00 C ATOM 281 C LEU A 16 -12.783 -8.947 -7.336 0.56 0.00 C ATOM 282 O LEU A 16 -11.841 -9.434 -7.959 1.00 0.00 O ATOM 283 CB LEU A 16 -12.483 -7.174 -5.590 0.44 0.00 C ATOM 284 CG LEU A 16 -11.001 -6.896 -5.310 0.46 0.00 C ATOM 285 CD1 LEU A 16 -10.135 -8.075 -5.730 0.21 0.00 C ATOM 286 CD2 LEU A 16 -10.552 -5.624 -6.017 0.80 0.00 C ATOM 0 H LEU A 16 -14.700 -6.622 -6.545 0.15 0.00 H new ATOM 0 HA LEU A 16 -12.114 -6.951 -7.701 0.49 0.00 H new ATOM 0 HB2 LEU A 16 -13.066 -6.320 -5.245 0.44 0.00 H new ATOM 0 HB3 LEU A 16 -12.792 -8.033 -4.994 0.44 0.00 H new ATOM 0 HG LEU A 16 -10.882 -6.755 -4.236 0.46 0.00 H new ATOM 0 HD11 LEU A 16 -9.089 -7.851 -5.520 0.21 0.00 H new ATOM 0 HD12 LEU A 16 -10.435 -8.963 -5.173 0.21 0.00 H new ATOM 0 HD13 LEU A 16 -10.260 -8.256 -6.797 0.21 0.00 H new ATOM 0 HD21 LEU A 16 -9.498 -5.443 -5.806 0.80 0.00 H new ATOM 0 HD22 LEU A 16 -10.693 -5.736 -7.092 0.80 0.00 H new ATOM 0 HD23 LEU A 16 -11.143 -4.781 -5.659 0.80 0.00 H new ATOM 298 N GLN A 17 -13.796 -9.675 -6.875 1.00 0.00 N ATOM 299 CA GLN A 17 -13.851 -11.115 -7.069 0.32 0.00 C ATOM 300 C GLN A 17 -14.065 -11.472 -8.540 1.00 0.00 C ATOM 301 O GLN A 17 -13.545 -12.478 -9.023 1.00 0.00 O ATOM 302 CB GLN A 17 -14.970 -11.711 -6.216 0.16 0.00 C ATOM 303 CG GLN A 17 -16.367 -11.326 -6.673 0.40 0.00 C ATOM 304 CD GLN A 17 -17.452 -12.030 -5.882 0.46 0.00 C ATOM 305 OE1 GLN A 17 -17.281 -12.328 -4.701 0.50 0.00 O ATOM 306 NE2 GLN A 17 -18.576 -12.305 -6.536 0.07 0.00 N ATOM 0 H GLN A 17 -14.589 -9.288 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.894 -11.535 -6.759 0.32 0.00 H new ATOM 0 HB2 GLN A 17 -14.882 -12.797 -6.227 0.16 0.00 H new ATOM 0 HB3 GLN A 17 -14.835 -11.390 -5.183 0.16 0.00 H new ATOM 0 HG2 GLN A 17 -16.493 -10.248 -6.576 0.40 0.00 H new ATOM 0 HG3 GLN A 17 -16.479 -11.566 -7.730 0.40 0.00 H new ATOM 0 HE21 GLN A 17 -18.674 -12.039 -7.516 0.07 0.00 H new ATOM 0 HE22 GLN A 17 -19.340 -12.782 -6.058 0.07 0.00 H new ATOM 315 N GLU A 18 -14.831 -10.644 -9.245 1.00 0.00 N ATOM 316 CA GLU A 18 -15.114 -10.881 -10.658 0.52 0.00 C ATOM 317 C GLU A 18 -13.935 -10.463 -11.528 0.11 0.00 C ATOM 318 O GLU A 18 -13.660 -11.079 -12.557 1.00 0.00 O ATOM 319 CB GLU A 18 -16.369 -10.118 -11.085 0.78 0.00 C ATOM 320 CG GLU A 18 -17.616 -10.518 -10.313 1.00 0.00 C ATOM 321 CD GLU A 18 -17.991 -11.973 -10.521 1.00 0.00 C ATOM 322 OE1 GLU A 18 -18.687 -12.270 -11.516 0.22 0.00 O ATOM 323 OE2 GLU A 18 -17.592 -12.815 -9.690 0.98 0.00 O ATOM 0 H GLU A 18 -15.266 -9.805 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.282 -11.950 -10.792 0.52 0.00 H new ATOM 0 HB2 GLU A 18 -16.197 -9.050 -10.953 0.78 0.00 H new ATOM 0 HB3 GLU A 18 -16.541 -10.284 -12.148 0.78 0.00 H new ATOM 0 HG2 GLU A 18 -17.454 -10.337 -9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.448 -9.885 -10.621 1.00 0.00 H new ATOM 330 N ASP A 19 -13.242 -9.413 -11.107 0.06 0.00 N ATOM 331 CA ASP A 19 -12.090 -8.909 -11.844 0.09 0.00 C ATOM 332 C ASP A 19 -11.083 -8.263 -10.893 0.18 0.00 C ATOM 333 O ASP A 19 -11.064 -7.043 -10.735 0.14 0.00 O ATOM 334 CB ASP A 19 -12.537 -7.901 -12.904 0.92 0.00 C ATOM 335 CG ASP A 19 -11.380 -7.379 -13.735 1.00 0.00 C ATOM 336 OD1 ASP A 19 -11.037 -8.025 -14.748 0.29 0.00 O ATOM 337 OD2 ASP A 19 -10.817 -6.325 -13.372 0.16 0.00 O ATOM 0 H ASP A 19 -13.458 -8.892 -10.257 0.06 0.00 H new ATOM 0 HA ASP A 19 -11.606 -9.750 -12.341 0.09 0.00 H new ATOM 0 HB2 ASP A 19 -13.269 -8.370 -13.561 0.92 0.00 H new ATOM 0 HB3 ASP A 19 -13.037 -7.064 -12.417 0.92 0.00 H new ATOM 342 N PRO A 20 -10.237 -9.081 -10.238 0.76 0.00 N ATOM 343 CA PRO A 20 -9.225 -8.583 -9.300 0.56 0.00 C ATOM 344 C PRO A 20 -8.118 -7.800 -10.004 0.07 0.00 C ATOM 345 O PRO A 20 -7.875 -7.995 -11.194 0.14 0.00 O ATOM 346 CB PRO A 20 -8.663 -9.860 -8.668 0.10 0.00 C ATOM 347 CG PRO A 20 -8.919 -10.928 -9.676 1.00 0.00 C ATOM 348 CD PRO A 20 -10.204 -10.552 -10.357 0.70 0.00 C ATOM 0 HA PRO A 20 -9.648 -7.887 -8.576 0.56 0.00 H new ATOM 0 HB2 PRO A 20 -7.598 -9.762 -8.458 0.10 0.00 H new ATOM 0 HB3 PRO A 20 -9.156 -10.083 -7.722 0.10 0.00 H new ATOM 0 HG2 PRO A 20 -8.101 -10.992 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.001 -11.904 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.215 -10.871 -11.399 0.70 0.00 H new ATOM 0 HD3 PRO A 20 -11.065 -11.014 -9.873 0.70 0.00 H new ATOM 356 N PRO A 21 -7.429 -6.901 -9.274 1.00 0.00 N ATOM 357 CA PRO A 21 -6.346 -6.088 -9.841 0.10 0.00 C ATOM 358 C PRO A 21 -5.189 -6.943 -10.348 0.40 0.00 C ATOM 359 O PRO A 21 -4.976 -8.059 -9.873 0.17 0.00 O ATOM 360 CB PRO A 21 -5.891 -5.210 -8.668 0.31 0.00 C ATOM 361 CG PRO A 21 -7.011 -5.257 -7.685 0.20 0.00 C ATOM 362 CD PRO A 21 -7.643 -6.607 -7.846 1.00 0.00 C ATOM 0 HA PRO A 21 -6.681 -5.515 -10.706 0.10 0.00 H new ATOM 0 HB2 PRO A 21 -4.967 -5.587 -8.230 0.31 0.00 H new ATOM 0 HB3 PRO A 21 -5.696 -4.188 -8.994 0.31 0.00 H new ATOM 0 HG2 PRO A 21 -6.644 -5.116 -6.668 0.20 0.00 H new ATOM 0 HG3 PRO A 21 -7.732 -4.463 -7.877 0.20 0.00 H new ATOM 0 HD2 PRO A 21 -7.173 -7.353 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.703 -6.590 -7.591 1.00 0.00 H new ATOM 370 N VAL A 22 -4.444 -6.413 -11.313 1.00 0.00 N ATOM 371 CA VAL A 22 -3.310 -7.131 -11.887 0.53 0.00 C ATOM 372 C VAL A 22 -2.034 -6.872 -11.091 0.34 0.00 C ATOM 373 O VAL A 22 -1.600 -5.728 -10.948 0.40 0.00 O ATOM 374 CB VAL A 22 -3.076 -6.731 -13.356 0.44 0.00 C ATOM 375 CG1 VAL A 22 -2.001 -7.604 -13.986 0.42 0.00 C ATOM 376 CG2 VAL A 22 -4.374 -6.819 -14.145 0.90 0.00 C ATOM 0 H VAL A 22 -4.605 -5.489 -11.714 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.553 -8.193 -11.842 0.53 0.00 H new ATOM 0 HB VAL A 22 -2.730 -5.698 -13.380 0.44 0.00 H new ATOM 0 HG11 VAL A 22 -1.851 -7.305 -15.023 0.42 0.00 H new ATOM 0 HG12 VAL A 22 -1.068 -7.486 -13.436 0.42 0.00 H new ATOM 0 HG13 VAL A 22 -2.313 -8.648 -13.951 0.42 0.00 H new ATOM 0 HG21 VAL A 22 -4.190 -6.533 -15.181 0.90 0.00 H new ATOM 0 HG22 VAL A 22 -4.751 -7.841 -14.112 0.90 0.00 H new ATOM 0 HG23 VAL A 22 -5.112 -6.146 -13.708 0.90 0.00 H new ATOM 386 N GLY A 23 -1.438 -7.944 -10.578 0.12 0.00 N ATOM 387 CA GLY A 23 -0.218 -7.818 -9.800 0.48 0.00 C ATOM 388 C GLY A 23 -0.496 -7.728 -8.313 1.00 0.00 C ATOM 389 O GLY A 23 0.255 -8.266 -7.498 1.00 0.00 O ATOM 0 H GLY A 23 -1.779 -8.899 -10.687 0.12 0.00 H new ATOM 0 HA2 GLY A 23 0.427 -8.675 -9.996 0.48 0.00 H new ATOM 0 HA3 GLY A 23 0.326 -6.930 -10.121 0.48 0.00 H new ATOM 393 N VAL A 24 -1.582 -7.048 -7.960 0.21 0.00 N ATOM 394 CA VAL A 24 -1.968 -6.886 -6.565 0.12 0.00 C ATOM 395 C VAL A 24 -3.363 -7.447 -6.321 0.50 0.00 C ATOM 396 O VAL A 24 -4.232 -7.375 -7.191 0.43 0.00 O ATOM 397 CB VAL A 24 -1.933 -5.407 -6.143 0.18 0.00 C ATOM 398 CG1 VAL A 24 -0.504 -4.889 -6.134 0.08 0.00 C ATOM 399 CG2 VAL A 24 -2.799 -4.569 -7.068 0.63 0.00 C ATOM 0 H VAL A 24 -2.212 -6.599 -8.625 0.21 0.00 H new ATOM 0 HA VAL A 24 -1.247 -7.439 -5.964 0.12 0.00 H new ATOM 0 HB VAL A 24 -2.333 -5.328 -5.132 0.18 0.00 H new ATOM 0 HG11 VAL A 24 -0.499 -3.841 -5.833 0.08 0.00 H new ATOM 0 HG12 VAL A 24 0.090 -5.472 -5.430 0.08 0.00 H new ATOM 0 HG13 VAL A 24 -0.077 -4.982 -7.133 0.08 0.00 H new ATOM 0 HG21 VAL A 24 -2.762 -3.526 -6.755 0.63 0.00 H new ATOM 0 HG22 VAL A 24 -2.429 -4.654 -8.090 0.63 0.00 H new ATOM 0 HG23 VAL A 24 -3.828 -4.925 -7.024 0.63 0.00 H new ATOM 409 N SER A 25 -3.574 -8.010 -5.137 0.08 0.00 N ATOM 410 CA SER A 25 -4.867 -8.583 -4.787 1.00 0.00 C ATOM 411 C SER A 25 -5.317 -8.108 -3.411 0.35 0.00 C ATOM 412 O SER A 25 -4.543 -8.118 -2.457 0.07 0.00 O ATOM 413 CB SER A 25 -4.792 -10.111 -4.813 0.14 0.00 C ATOM 414 OG SER A 25 -4.398 -10.580 -6.090 0.13 0.00 O ATOM 0 H SER A 25 -2.868 -8.082 -4.405 0.08 0.00 H new ATOM 0 HA SER A 25 -5.598 -8.248 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.083 -10.456 -4.061 0.14 0.00 H new ATOM 0 HB3 SER A 25 -5.764 -10.530 -4.552 0.14 0.00 H new ATOM 0 HG SER A 25 -4.356 -11.559 -6.080 0.13 0.00 H new ATOM 420 N GLY A 26 -6.575 -7.693 -3.315 0.08 0.00 N ATOM 421 CA GLY A 26 -7.104 -7.222 -2.050 0.08 0.00 C ATOM 422 C GLY A 26 -8.517 -7.707 -1.795 0.11 0.00 C ATOM 423 O GLY A 26 -9.414 -7.485 -2.609 0.62 0.00 O ATOM 0 H GLY A 26 -7.237 -7.675 -4.091 0.08 0.00 H new ATOM 0 HA2 GLY A 26 -6.456 -7.559 -1.241 0.08 0.00 H new ATOM 0 HA3 GLY A 26 -7.090 -6.132 -2.037 0.08 0.00 H new ATOM 427 N ALA A 27 -8.713 -8.373 -0.662 0.28 0.00 N ATOM 428 CA ALA A 27 -10.025 -8.895 -0.302 0.14 0.00 C ATOM 429 C ALA A 27 -10.231 -8.863 1.214 1.00 0.00 C ATOM 430 O ALA A 27 -9.268 -8.947 1.976 0.44 0.00 O ATOM 431 CB ALA A 27 -10.189 -10.311 -0.831 1.00 0.00 C ATOM 0 H ALA A 27 -7.980 -8.564 0.022 0.28 0.00 H new ATOM 0 HA ALA A 27 -10.783 -8.259 -0.758 0.14 0.00 H new ATOM 0 HB1 ALA A 27 -11.173 -10.691 -0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.092 -10.307 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.420 -10.952 -0.400 1.00 0.00 H new ATOM 437 N PRO A 28 -11.492 -8.741 1.668 0.24 0.00 N ATOM 438 CA PRO A 28 -11.812 -8.702 3.099 0.31 0.00 C ATOM 439 C PRO A 28 -11.607 -10.055 3.770 0.58 0.00 C ATOM 440 O PRO A 28 -12.175 -11.061 3.345 0.13 0.00 O ATOM 441 CB PRO A 28 -13.290 -8.310 3.122 0.19 0.00 C ATOM 442 CG PRO A 28 -13.826 -8.784 1.816 0.35 0.00 C ATOM 443 CD PRO A 28 -12.702 -8.632 0.829 0.48 0.00 C ATOM 0 HA PRO A 28 -11.168 -8.012 3.645 0.31 0.00 H new ATOM 0 HB2 PRO A 28 -13.811 -8.778 3.957 0.19 0.00 H new ATOM 0 HB3 PRO A 28 -13.412 -7.233 3.233 0.19 0.00 H new ATOM 0 HG2 PRO A 28 -14.151 -9.822 1.881 0.35 0.00 H new ATOM 0 HG3 PRO A 28 -14.693 -8.197 1.514 0.35 0.00 H new ATOM 0 HD2 PRO A 28 -12.732 -9.408 0.064 0.48 0.00 H new ATOM 0 HD3 PRO A 28 -12.748 -7.673 0.313 0.48 0.00 H new ATOM 451 N SER A 29 -10.791 -10.073 4.821 1.00 0.00 N ATOM 452 CA SER A 29 -10.509 -11.304 5.548 0.12 0.00 C ATOM 453 C SER A 29 -11.763 -11.832 6.237 0.23 0.00 C ATOM 454 O SER A 29 -12.319 -12.853 5.837 0.55 0.00 O ATOM 455 CB SER A 29 -9.402 -11.072 6.578 0.05 0.00 C ATOM 456 OG SER A 29 -9.718 -9.987 7.434 1.00 0.00 O ATOM 0 H SER A 29 -10.315 -9.249 5.187 1.00 0.00 H new ATOM 0 HA SER A 29 -10.173 -12.051 4.829 0.12 0.00 H new ATOM 0 HB2 SER A 29 -9.257 -11.976 7.170 0.05 0.00 H new ATOM 0 HB3 SER A 29 -8.461 -10.872 6.066 0.05 0.00 H new ATOM 0 HG SER A 29 -8.995 -9.861 8.084 1.00 0.00 H new ATOM 462 N GLU A 30 -12.204 -11.125 7.275 1.00 0.00 N ATOM 463 CA GLU A 30 -13.391 -11.518 8.025 1.00 0.00 C ATOM 464 C GLU A 30 -13.755 -10.447 9.050 0.30 0.00 C ATOM 465 O GLU A 30 -14.930 -10.140 9.253 0.09 0.00 O ATOM 466 CB GLU A 30 -13.154 -12.858 8.728 0.73 0.00 C ATOM 467 CG GLU A 30 -14.433 -13.607 9.074 0.35 0.00 C ATOM 468 CD GLU A 30 -15.248 -12.917 10.149 0.82 0.00 C ATOM 469 OE1 GLU A 30 -14.843 -12.973 11.329 1.00 0.00 O ATOM 470 OE2 GLU A 30 -16.291 -12.320 9.811 0.39 0.00 O ATOM 0 H GLU A 30 -11.755 -10.275 7.615 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.220 -11.627 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.537 -13.489 8.088 0.73 0.00 H new ATOM 0 HB3 GLU A 30 -12.589 -12.682 9.643 0.73 0.00 H new ATOM 0 HG2 GLU A 30 -15.041 -13.712 8.175 0.35 0.00 H new ATOM 0 HG3 GLU A 30 -14.180 -14.614 9.407 0.35 0.00 H new ATOM 477 N ASN A 31 -12.736 -9.877 9.684 0.18 0.00 N ATOM 478 CA ASN A 31 -12.943 -8.844 10.693 1.00 0.00 C ATOM 479 C ASN A 31 -13.531 -7.578 10.076 0.10 0.00 C ATOM 480 O ASN A 31 -12.813 -6.770 9.486 0.05 0.00 O ATOM 481 CB ASN A 31 -11.624 -8.516 11.396 0.09 0.00 C ATOM 482 CG ASN A 31 -11.112 -9.671 12.236 0.07 0.00 C ATOM 483 OD1 ASN A 31 -11.345 -10.837 11.919 1.00 0.00 O ATOM 484 ND2 ASN A 31 -10.406 -9.352 13.316 0.07 0.00 N ATOM 0 H ASN A 31 -11.758 -10.113 9.517 0.18 0.00 H new ATOM 0 HA ASN A 31 -13.654 -9.230 11.424 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.874 -8.253 10.650 0.09 0.00 H new ATOM 0 HB3 ASN A 31 -11.762 -7.642 12.032 0.09 0.00 H new ATOM 0 HD21 ASN A 31 -10.034 -10.087 13.918 0.07 0.00 H new ATOM 0 HD22 ASN A 31 -10.236 -8.372 13.543 0.07 0.00 H new ATOM 491 N ASN A 32 -14.847 -7.417 10.216 1.00 0.00 N ATOM 492 CA ASN A 32 -15.547 -6.251 9.686 0.08 0.00 C ATOM 493 C ASN A 32 -15.310 -6.087 8.186 0.21 0.00 C ATOM 494 O ASN A 32 -14.795 -6.988 7.524 1.00 0.00 O ATOM 495 CB ASN A 32 -15.103 -4.985 10.422 0.15 0.00 C ATOM 496 CG ASN A 32 -15.405 -5.041 11.907 0.08 0.00 C ATOM 497 OD1 ASN A 32 -16.369 -5.678 12.333 1.00 0.00 O ATOM 498 ND2 ASN A 32 -14.580 -4.371 12.703 0.72 0.00 N ATOM 0 H ASN A 32 -15.451 -8.085 10.695 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.614 -6.408 9.845 0.08 0.00 H new ATOM 0 HB2 ASN A 32 -14.032 -4.841 10.277 0.15 0.00 H new ATOM 0 HB3 ASN A 32 -15.603 -4.120 9.985 0.15 0.00 H new ATOM 0 HD21 ASN A 32 -14.733 -4.371 13.712 0.72 0.00 H new ATOM 0 HD22 ASN A 32 -13.794 -3.857 12.306 0.72 0.00 H new ATOM 505 N ILE A 33 -15.696 -4.926 7.660 0.44 0.00 N ATOM 506 CA ILE A 33 -15.536 -4.634 6.241 0.27 0.00 C ATOM 507 C ILE A 33 -14.536 -3.498 6.026 1.00 0.00 C ATOM 508 O ILE A 33 -14.155 -3.195 4.896 1.00 0.00 O ATOM 509 CB ILE A 33 -16.889 -4.259 5.596 1.00 0.00 C ATOM 510 CG1 ILE A 33 -16.756 -4.161 4.071 0.07 0.00 C ATOM 511 CG2 ILE A 33 -17.410 -2.950 6.171 0.16 0.00 C ATOM 512 CD1 ILE A 33 -18.082 -4.013 3.356 0.68 0.00 C ATOM 0 H ILE A 33 -16.123 -4.172 8.199 0.44 0.00 H new ATOM 0 HA ILE A 33 -15.155 -5.537 5.763 0.27 0.00 H new ATOM 0 HB ILE A 33 -17.606 -5.047 5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -16.122 -3.309 3.824 0.07 0.00 H new ATOM 0 HG13 ILE A 33 -16.250 -5.053 3.701 0.07 0.00 H new ATOM 0 HG21 ILE A 33 -18.364 -2.702 5.705 0.16 0.00 H new ATOM 0 HG22 ILE A 33 -17.548 -3.055 7.247 0.16 0.00 H new ATOM 0 HG23 ILE A 33 -16.692 -2.154 5.973 0.16 0.00 H new ATOM 0 HD11 ILE A 33 -17.911 -3.950 2.281 0.68 0.00 H new ATOM 0 HD12 ILE A 33 -18.711 -4.877 3.573 0.68 0.00 H new ATOM 0 HD13 ILE A 33 -18.581 -3.106 3.698 0.68 0.00 H new ATOM 524 N MET A 34 -14.111 -2.872 7.119 1.00 0.00 N ATOM 525 CA MET A 34 -13.154 -1.774 7.044 0.07 0.00 C ATOM 526 C MET A 34 -11.728 -2.298 6.902 1.00 0.00 C ATOM 527 O MET A 34 -10.926 -1.742 6.149 0.48 0.00 O ATOM 528 CB MET A 34 -13.266 -0.883 8.282 0.22 0.00 C ATOM 529 CG MET A 34 -14.625 -0.220 8.432 0.34 0.00 C ATOM 530 SD MET A 34 -15.901 -1.357 9.009 0.28 0.00 S ATOM 531 CE MET A 34 -15.431 -1.551 10.725 1.00 0.00 C ATOM 0 H MET A 34 -14.413 -3.106 8.065 1.00 0.00 H new ATOM 0 HA MET A 34 -13.390 -1.182 6.160 0.07 0.00 H new ATOM 0 HB2 MET A 34 -13.063 -1.482 9.170 0.22 0.00 H new ATOM 0 HB3 MET A 34 -12.498 -0.111 8.235 0.22 0.00 H new ATOM 0 HG2 MET A 34 -14.543 0.611 9.132 0.34 0.00 H new ATOM 0 HG3 MET A 34 -14.927 0.200 7.472 0.34 0.00 H new ATOM 0 HE1 MET A 34 -16.255 -2.000 11.279 1.00 0.00 H new ATOM 0 HE2 MET A 34 -14.555 -2.196 10.792 1.00 0.00 H new ATOM 0 HE3 MET A 34 -15.197 -0.575 11.151 1.00 0.00 H new ATOM 541 N GLN A 35 -11.416 -3.366 7.628 0.49 0.00 N ATOM 542 CA GLN A 35 -10.084 -3.960 7.581 0.58 0.00 C ATOM 543 C GLN A 35 -9.976 -4.975 6.447 0.95 0.00 C ATOM 544 O GLN A 35 -10.604 -6.035 6.486 0.41 0.00 O ATOM 545 CB GLN A 35 -9.756 -4.635 8.915 0.05 0.00 C ATOM 546 CG GLN A 35 -8.337 -5.176 8.993 0.12 0.00 C ATOM 547 CD GLN A 35 -8.040 -5.847 10.320 0.09 0.00 C ATOM 548 OE1 GLN A 35 -8.241 -7.051 10.479 0.89 0.00 O ATOM 549 NE2 GLN A 35 -7.561 -5.069 11.285 0.47 0.00 N ATOM 0 H GLN A 35 -12.067 -3.838 8.256 0.49 0.00 H new ATOM 0 HA GLN A 35 -9.366 -3.161 7.397 0.58 0.00 H new ATOM 0 HB2 GLN A 35 -9.907 -3.918 9.722 0.05 0.00 H new ATOM 0 HB3 GLN A 35 -10.457 -5.453 9.080 0.05 0.00 H new ATOM 0 HG2 GLN A 35 -8.180 -5.891 8.185 0.12 0.00 H new ATOM 0 HG3 GLN A 35 -7.632 -4.360 8.837 0.12 0.00 H new ATOM 0 HE21 GLN A 35 -7.409 -4.076 11.111 0.47 0.00 H new ATOM 0 HE22 GLN A 35 -7.345 -5.465 12.200 0.47 0.00 H new ATOM 558 N TRP A 36 -9.181 -4.642 5.435 0.05 0.00 N ATOM 559 CA TRP A 36 -8.984 -5.522 4.286 1.00 0.00 C ATOM 560 C TRP A 36 -7.526 -5.951 4.172 0.05 0.00 C ATOM 561 O TRP A 36 -6.615 -5.132 4.301 1.00 0.00 O ATOM 562 CB TRP A 36 -9.427 -4.824 2.993 1.00 0.00 C ATOM 563 CG TRP A 36 -10.910 -4.872 2.759 1.00 0.00 C ATOM 564 CD1 TRP A 36 -11.894 -4.813 3.705 1.00 0.00 C ATOM 565 CD2 TRP A 36 -11.577 -4.982 1.494 0.15 0.00 C ATOM 566 NE1 TRP A 36 -13.129 -4.884 3.107 1.00 0.00 N ATOM 567 CE2 TRP A 36 -12.962 -4.988 1.752 0.36 0.00 C ATOM 568 CE3 TRP A 36 -11.141 -5.077 0.168 1.00 0.00 C ATOM 569 CZ2 TRP A 36 -13.910 -5.084 0.737 1.00 0.00 C ATOM 570 CZ3 TRP A 36 -12.084 -5.172 -0.839 0.29 0.00 C ATOM 571 CH2 TRP A 36 -13.454 -5.176 -0.550 1.00 0.00 C ATOM 0 H TRP A 36 -8.661 -3.766 5.387 0.05 0.00 H new ATOM 0 HA TRP A 36 -9.595 -6.412 4.436 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.107 -3.783 3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.919 -5.288 2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.726 -4.724 4.768 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.025 -4.863 3.594 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -10.086 -5.076 -0.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.967 -5.086 0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.758 -5.244 -1.866 0.29 0.00 H new ATOM 0 HH2 TRP A 36 -14.165 -5.253 -1.359 1.00 0.00 H new ATOM 582 N ASN A 37 -7.311 -7.241 3.931 0.98 0.00 N ATOM 583 CA ASN A 37 -5.962 -7.781 3.799 0.10 0.00 C ATOM 584 C ASN A 37 -5.600 -7.966 2.329 1.00 0.00 C ATOM 585 O ASN A 37 -6.231 -8.749 1.618 0.50 0.00 O ATOM 586 CB ASN A 37 -5.849 -9.118 4.539 0.73 0.00 C ATOM 587 CG ASN A 37 -4.445 -9.688 4.500 0.20 0.00 C ATOM 588 OD1 ASN A 37 -3.446 -8.814 4.548 0.21 0.00 O flip ATOM 589 ND2 ASN A 37 -4.258 -10.904 4.437 0.39 0.00 N flip ATOM 0 H ASN A 37 -8.054 -7.932 3.823 0.98 0.00 H new ATOM 0 HA ASN A 37 -5.264 -7.071 4.243 0.10 0.00 H new ATOM 0 HB2 ASN A 37 -6.153 -8.982 5.577 0.73 0.00 H new ATOM 0 HB3 ASN A 37 -6.541 -9.834 4.095 0.73 0.00 H new ATOM 0 HD21 ASN A 37 -5.054 -11.541 4.402 0.39 0.00 H new ATOM 0 HD22 ASN A 37 -3.307 -11.274 4.420 0.39 0.00 H new ATOM 596 N ALA A 38 -4.581 -7.239 1.880 0.09 0.00 N ATOM 597 CA ALA A 38 -4.144 -7.313 0.491 0.30 0.00 C ATOM 598 C ALA A 38 -2.677 -7.717 0.386 0.34 0.00 C ATOM 599 O ALA A 38 -1.875 -7.424 1.274 0.12 0.00 O ATOM 600 CB ALA A 38 -4.374 -5.979 -0.200 1.00 0.00 C ATOM 0 H ALA A 38 -4.043 -6.593 2.458 0.09 0.00 H new ATOM 0 HA ALA A 38 -4.736 -8.082 -0.006 0.30 0.00 H new ATOM 0 HB1 ALA A 38 -4.044 -6.045 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.435 -5.733 -0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.807 -5.201 0.312 1.00 0.00 H new ATOM 606 N VAL A 39 -2.337 -8.390 -0.708 0.82 0.00 N ATOM 607 CA VAL A 39 -0.970 -8.837 -0.940 0.48 0.00 C ATOM 608 C VAL A 39 -0.384 -8.181 -2.189 0.36 0.00 C ATOM 609 O VAL A 39 -0.823 -8.449 -3.307 0.88 0.00 O ATOM 610 CB VAL A 39 -0.900 -10.368 -1.092 0.13 0.00 C ATOM 611 CG1 VAL A 39 0.546 -10.836 -1.151 0.10 0.00 C ATOM 612 CG2 VAL A 39 -1.644 -11.051 0.044 0.36 0.00 C ATOM 0 H VAL A 39 -2.992 -8.638 -1.449 0.82 0.00 H new ATOM 0 HA VAL A 39 -0.384 -8.541 -0.070 0.48 0.00 H new ATOM 0 HB VAL A 39 -1.383 -10.643 -2.030 0.13 0.00 H new ATOM 0 HG11 VAL A 39 0.573 -11.920 -1.258 0.10 0.00 H new ATOM 0 HG12 VAL A 39 1.043 -10.374 -2.004 0.10 0.00 H new ATOM 0 HG13 VAL A 39 1.059 -10.549 -0.233 0.10 0.00 H new ATOM 0 HG21 VAL A 39 -1.584 -12.132 -0.080 0.36 0.00 H new ATOM 0 HG22 VAL A 39 -1.193 -10.769 0.996 0.36 0.00 H new ATOM 0 HG23 VAL A 39 -2.689 -10.742 0.032 0.36 0.00 H new ATOM 622 N ILE A 40 0.611 -7.322 -1.985 0.25 0.00 N ATOM 623 CA ILE A 40 1.264 -6.624 -3.088 1.00 0.00 C ATOM 624 C ILE A 40 2.636 -7.228 -3.374 0.67 0.00 C ATOM 625 O ILE A 40 3.413 -7.489 -2.455 0.10 0.00 O ATOM 626 CB ILE A 40 1.432 -5.121 -2.783 0.15 0.00 C ATOM 627 CG1 ILE A 40 0.062 -4.448 -2.644 1.00 0.00 C ATOM 628 CG2 ILE A 40 2.258 -4.445 -3.871 0.28 0.00 C ATOM 629 CD1 ILE A 40 0.140 -2.972 -2.311 0.85 0.00 C ATOM 0 H ILE A 40 0.983 -7.092 -1.064 0.25 0.00 H new ATOM 0 HA ILE A 40 0.624 -6.738 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 40 1.963 -5.015 -1.837 0.15 0.00 H new ATOM 0 HG12 ILE A 40 -0.490 -4.573 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.506 -4.958 -1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.367 -3.385 -3.640 0.28 0.00 H new ATOM 0 HG22 ILE A 40 3.243 -4.908 -3.921 0.28 0.00 H new ATOM 0 HG23 ILE A 40 1.756 -4.557 -4.832 0.28 0.00 H new ATOM 0 HD11 ILE A 40 -0.867 -2.564 -2.228 0.85 0.00 H new ATOM 0 HD12 ILE A 40 0.664 -2.840 -1.364 0.85 0.00 H new ATOM 0 HD13 ILE A 40 0.680 -2.449 -3.100 0.85 0.00 H new ATOM 641 N PHE A 41 2.928 -7.445 -4.651 1.00 0.00 N ATOM 642 CA PHE A 41 4.208 -8.012 -5.056 0.27 0.00 C ATOM 643 C PHE A 41 5.067 -6.960 -5.751 0.23 0.00 C ATOM 644 O PHE A 41 4.559 -6.136 -6.511 0.09 0.00 O ATOM 645 CB PHE A 41 3.993 -9.209 -5.984 0.35 0.00 C ATOM 646 CG PHE A 41 3.130 -10.285 -5.389 0.57 0.00 C ATOM 647 CD1 PHE A 41 3.494 -10.908 -4.205 1.00 0.00 C ATOM 648 CD2 PHE A 41 1.960 -10.680 -6.016 1.00 0.00 C ATOM 649 CE1 PHE A 41 2.705 -11.901 -3.658 0.99 0.00 C ATOM 650 CE2 PHE A 41 1.166 -11.672 -5.473 1.00 0.00 C ATOM 651 CZ PHE A 41 1.541 -12.284 -4.293 0.84 0.00 C ATOM 0 H PHE A 41 2.295 -7.237 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 41 4.729 -8.350 -4.160 0.27 0.00 H new ATOM 0 HB2 PHE A 41 3.538 -8.862 -6.912 0.35 0.00 H new ATOM 0 HB3 PHE A 41 4.962 -9.635 -6.244 0.35 0.00 H new ATOM 0 HD1 PHE A 41 4.405 -10.613 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.665 -10.207 -6.941 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.999 -12.377 -2.734 0.99 0.00 H new ATOM 0 HE2 PHE A 41 0.254 -11.968 -5.970 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.924 -13.062 -3.868 0.84 0.00 H new ATOM 661 N GLY A 42 6.368 -6.994 -5.483 0.78 0.00 N ATOM 662 CA GLY A 42 7.273 -6.036 -6.092 0.07 0.00 C ATOM 663 C GLY A 42 7.288 -6.136 -7.608 0.43 0.00 C ATOM 664 O GLY A 42 7.185 -7.235 -8.153 0.58 0.00 O ATOM 0 H GLY A 42 6.811 -7.666 -4.857 0.78 0.00 H new ATOM 0 HA2 GLY A 42 6.980 -5.027 -5.800 0.07 0.00 H new ATOM 0 HA3 GLY A 42 8.281 -6.199 -5.710 0.07 0.00 H new ATOM 668 N PRO A 43 7.411 -5.001 -8.322 0.33 0.00 N ATOM 669 CA PRO A 43 7.435 -4.998 -9.788 0.27 0.00 C ATOM 670 C PRO A 43 8.673 -5.693 -10.346 0.23 0.00 C ATOM 671 O PRO A 43 9.534 -6.145 -9.590 0.08 0.00 O ATOM 672 CB PRO A 43 7.446 -3.509 -10.148 0.08 0.00 C ATOM 673 CG PRO A 43 7.997 -2.827 -8.945 1.00 0.00 C ATOM 674 CD PRO A 43 7.541 -3.641 -7.765 1.00 0.00 C ATOM 0 HA PRO A 43 6.589 -5.541 -10.209 0.27 0.00 H new ATOM 0 HB2 PRO A 43 8.063 -3.320 -11.026 0.08 0.00 H new ATOM 0 HB3 PRO A 43 6.443 -3.151 -10.380 0.08 0.00 H new ATOM 0 HG2 PRO A 43 9.085 -2.777 -8.988 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.633 -1.802 -8.876 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.264 -3.607 -6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.594 -3.277 -7.367 1.00 0.00 H new ATOM 682 N GLU A 44 8.757 -5.773 -11.669 0.17 0.00 N ATOM 683 CA GLU A 44 9.891 -6.411 -12.326 0.07 0.00 C ATOM 684 C GLU A 44 11.048 -5.431 -12.489 0.28 0.00 C ATOM 685 O GLU A 44 10.857 -4.303 -12.944 0.12 0.00 O ATOM 686 CB GLU A 44 9.474 -6.959 -13.694 0.08 0.00 C ATOM 687 CG GLU A 44 10.586 -7.697 -14.421 0.92 0.00 C ATOM 688 CD GLU A 44 11.077 -8.913 -13.659 0.22 0.00 C ATOM 689 OE1 GLU A 44 10.494 -10.002 -13.841 0.25 0.00 O ATOM 690 OE2 GLU A 44 12.045 -8.773 -12.881 0.28 0.00 O ATOM 0 H GLU A 44 8.053 -5.404 -12.308 0.17 0.00 H new ATOM 0 HA GLU A 44 10.224 -7.237 -11.698 0.07 0.00 H new ATOM 0 HB2 GLU A 44 8.628 -7.633 -13.563 0.08 0.00 H new ATOM 0 HB3 GLU A 44 9.130 -6.133 -14.317 0.08 0.00 H new ATOM 0 HG2 GLU A 44 10.229 -8.008 -15.403 0.92 0.00 H new ATOM 0 HG3 GLU A 44 11.421 -7.016 -14.587 0.92 0.00 H new ATOM 697 N GLY A 45 12.247 -5.869 -12.117 0.17 0.00 N ATOM 698 CA GLY A 45 13.416 -5.015 -12.227 0.83 0.00 C ATOM 699 C GLY A 45 13.671 -4.224 -10.959 0.48 0.00 C ATOM 700 O GLY A 45 14.302 -3.166 -10.994 0.10 0.00 O ATOM 0 H GLY A 45 12.430 -6.800 -11.742 0.17 0.00 H new ATOM 0 HA2 GLY A 45 14.290 -5.626 -12.453 0.83 0.00 H new ATOM 0 HA3 GLY A 45 13.283 -4.327 -13.062 0.83 0.00 H new ATOM 704 N THR A 46 13.179 -4.739 -9.837 0.09 0.00 N ATOM 705 CA THR A 46 13.353 -4.078 -8.549 0.30 0.00 C ATOM 706 C THR A 46 13.853 -5.060 -7.492 1.00 0.00 C ATOM 707 O THR A 46 13.670 -6.269 -7.629 0.25 0.00 O ATOM 708 CB THR A 46 12.035 -3.444 -8.064 0.13 0.00 C ATOM 709 OG1 THR A 46 10.993 -4.426 -8.048 1.00 0.00 O ATOM 710 CG2 THR A 46 11.633 -2.284 -8.962 0.63 0.00 C ATOM 0 H THR A 46 12.656 -5.614 -9.794 0.09 0.00 H new ATOM 0 HA THR A 46 14.095 -3.292 -8.691 0.30 0.00 H new ATOM 0 HB THR A 46 12.189 -3.066 -7.053 0.13 0.00 H new ATOM 0 HG1 THR A 46 10.791 -4.704 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.700 -1.851 -8.601 0.63 0.00 H new ATOM 0 HG22 THR A 46 12.415 -1.525 -8.947 0.63 0.00 H new ATOM 0 HG23 THR A 46 11.496 -2.644 -9.982 0.63 0.00 H new ATOM 718 N PRO A 47 14.492 -4.555 -6.421 1.00 0.00 N ATOM 719 CA PRO A 47 15.010 -5.406 -5.343 0.23 0.00 C ATOM 720 C PRO A 47 13.895 -6.060 -4.529 0.12 0.00 C ATOM 721 O PRO A 47 14.155 -6.726 -3.528 0.13 0.00 O ATOM 722 CB PRO A 47 15.810 -4.433 -4.474 1.00 0.00 C ATOM 723 CG PRO A 47 15.201 -3.101 -4.737 0.13 0.00 C ATOM 724 CD PRO A 47 14.766 -3.125 -6.174 0.50 0.00 C ATOM 0 HA PRO A 47 15.601 -6.237 -5.729 0.23 0.00 H new ATOM 0 HB2 PRO A 47 15.743 -4.698 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.867 -4.444 -4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.354 -2.921 -4.075 0.13 0.00 H new ATOM 0 HG3 PRO A 47 15.920 -2.301 -4.560 0.13 0.00 H new ATOM 0 HD2 PRO A 47 13.880 -2.512 -6.337 0.50 0.00 H new ATOM 0 HD3 PRO A 47 15.543 -2.744 -6.836 0.50 0.00 H new ATOM 732 N PHE A 48 12.655 -5.865 -4.967 1.00 0.00 N ATOM 733 CA PHE A 48 11.499 -6.434 -4.281 0.42 0.00 C ATOM 734 C PHE A 48 10.842 -7.520 -5.130 0.38 0.00 C ATOM 735 O PHE A 48 9.979 -8.258 -4.650 0.08 0.00 O ATOM 736 CB PHE A 48 10.475 -5.341 -3.973 1.00 0.00 C ATOM 737 CG PHE A 48 11.065 -4.127 -3.313 0.40 0.00 C ATOM 738 CD1 PHE A 48 11.223 -4.076 -1.938 0.11 0.00 C ATOM 739 CD2 PHE A 48 11.457 -3.034 -4.070 0.27 0.00 C ATOM 740 CE1 PHE A 48 11.761 -2.957 -1.330 0.16 0.00 C ATOM 741 CE2 PHE A 48 11.995 -1.913 -3.469 1.00 0.00 C ATOM 742 CZ PHE A 48 12.147 -1.874 -2.096 1.00 0.00 C ATOM 0 H PHE A 48 12.424 -5.316 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 48 11.847 -6.879 -3.349 0.42 0.00 H new ATOM 0 HB2 PHE A 48 9.989 -5.039 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.700 -5.754 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.923 -4.920 -1.334 0.11 0.00 H new ATOM 0 HD2 PHE A 48 11.340 -3.059 -5.143 0.27 0.00 H new ATOM 0 HE1 PHE A 48 11.879 -2.929 -0.257 0.16 0.00 H new ATOM 0 HE2 PHE A 48 12.296 -1.068 -4.071 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.567 -0.999 -1.623 1.00 0.00 H new ATOM 752 N GLU A 49 11.256 -7.611 -6.391 0.11 0.00 N ATOM 753 CA GLU A 49 10.702 -8.598 -7.317 0.15 0.00 C ATOM 754 C GLU A 49 10.861 -10.020 -6.780 0.99 0.00 C ATOM 755 O GLU A 49 10.081 -10.911 -7.119 1.00 0.00 O ATOM 756 CB GLU A 49 11.383 -8.476 -8.684 0.23 0.00 C ATOM 757 CG GLU A 49 12.817 -8.979 -8.705 0.06 0.00 C ATOM 758 CD GLU A 49 13.483 -8.783 -10.051 1.00 0.00 C ATOM 759 OE1 GLU A 49 13.992 -7.671 -10.307 0.35 0.00 O ATOM 760 OE2 GLU A 49 13.497 -9.741 -10.852 0.18 0.00 O ATOM 0 H GLU A 49 11.975 -7.012 -6.797 0.11 0.00 H new ATOM 0 HA GLU A 49 9.636 -8.396 -7.423 0.15 0.00 H new ATOM 0 HB2 GLU A 49 10.802 -9.033 -9.419 0.23 0.00 H new ATOM 0 HB3 GLU A 49 11.370 -7.431 -8.993 0.23 0.00 H new ATOM 0 HG2 GLU A 49 13.392 -8.458 -7.940 0.06 0.00 H new ATOM 0 HG3 GLU A 49 12.830 -10.038 -8.448 0.06 0.00 H new ATOM 767 N ASP A 50 11.872 -10.227 -5.943 0.53 0.00 N ATOM 768 CA ASP A 50 12.136 -11.545 -5.371 0.07 0.00 C ATOM 769 C ASP A 50 11.297 -11.791 -4.118 0.24 0.00 C ATOM 770 O ASP A 50 10.722 -12.865 -3.946 0.21 0.00 O ATOM 771 CB ASP A 50 13.622 -11.686 -5.037 0.97 0.00 C ATOM 772 CG ASP A 50 13.972 -13.067 -4.516 0.30 0.00 C ATOM 773 OD1 ASP A 50 14.239 -13.962 -5.343 0.12 0.00 O ATOM 774 OD2 ASP A 50 13.981 -13.250 -3.280 1.00 0.00 O ATOM 0 H ASP A 50 12.523 -9.500 -5.645 0.53 0.00 H new ATOM 0 HA ASP A 50 11.858 -12.292 -6.115 0.07 0.00 H new ATOM 0 HB2 ASP A 50 14.213 -11.477 -5.929 0.97 0.00 H new ATOM 0 HB3 ASP A 50 13.896 -10.940 -4.291 0.97 0.00 H new ATOM 779 N GLY A 51 11.231 -10.788 -3.245 0.38 0.00 N ATOM 780 CA GLY A 51 10.470 -10.924 -2.014 0.06 0.00 C ATOM 781 C GLY A 51 9.019 -10.515 -2.163 0.16 0.00 C ATOM 782 O GLY A 51 8.590 -10.088 -3.237 0.07 0.00 O ATOM 0 H GLY A 51 11.690 -9.885 -3.368 0.38 0.00 H new ATOM 0 HA2 GLY A 51 10.516 -11.960 -1.678 0.06 0.00 H new ATOM 0 HA3 GLY A 51 10.935 -10.316 -1.238 0.06 0.00 H new ATOM 786 N THR A 52 8.259 -10.651 -1.079 0.14 0.00 N ATOM 787 CA THR A 52 6.846 -10.288 -1.077 0.29 0.00 C ATOM 788 C THR A 52 6.512 -9.426 0.135 0.93 0.00 C ATOM 789 O THR A 52 7.268 -9.386 1.107 0.46 0.00 O ATOM 790 CB THR A 52 5.944 -11.537 -1.070 0.81 0.00 C ATOM 791 OG1 THR A 52 6.176 -12.306 0.115 0.28 0.00 O ATOM 792 CG2 THR A 52 6.206 -12.400 -2.296 0.15 0.00 C ATOM 0 H THR A 52 8.601 -11.011 -0.188 0.14 0.00 H new ATOM 0 HA THR A 52 6.658 -9.723 -1.990 0.29 0.00 H new ATOM 0 HB THR A 52 4.906 -11.206 -1.090 0.81 0.00 H new ATOM 0 HG1 THR A 52 5.597 -13.097 0.111 0.28 0.00 H new ATOM 0 HG21 THR A 52 5.558 -13.276 -2.270 0.15 0.00 H new ATOM 0 HG22 THR A 52 6.000 -11.823 -3.198 0.15 0.00 H new ATOM 0 HG23 THR A 52 7.248 -12.720 -2.300 0.15 0.00 H new ATOM 800 N PHE A 53 5.378 -8.734 0.076 0.83 0.00 N ATOM 801 CA PHE A 53 4.952 -7.869 1.174 0.05 0.00 C ATOM 802 C PHE A 53 3.447 -7.960 1.400 0.24 0.00 C ATOM 803 O PHE A 53 2.687 -8.273 0.484 1.00 0.00 O ATOM 804 CB PHE A 53 5.348 -6.419 0.892 1.00 0.00 C ATOM 805 CG PHE A 53 6.821 -6.157 1.040 0.24 0.00 C ATOM 806 CD1 PHE A 53 7.694 -6.416 -0.005 0.10 0.00 C ATOM 807 CD2 PHE A 53 7.330 -5.652 2.225 0.43 0.00 C ATOM 808 CE1 PHE A 53 9.049 -6.176 0.131 0.89 0.00 C ATOM 809 CE2 PHE A 53 8.684 -5.411 2.366 0.97 0.00 C ATOM 810 CZ PHE A 53 9.544 -5.674 1.318 1.00 0.00 C ATOM 0 H PHE A 53 4.738 -8.754 -0.718 0.83 0.00 H new ATOM 0 HA PHE A 53 5.454 -8.210 2.079 0.05 0.00 H new ATOM 0 HB2 PHE A 53 5.041 -6.158 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.801 -5.764 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.312 -6.809 -0.935 0.10 0.00 H new ATOM 0 HD2 PHE A 53 6.662 -5.444 3.048 0.43 0.00 H new ATOM 0 HE1 PHE A 53 9.719 -6.381 -0.691 0.89 0.00 H new ATOM 0 HE2 PHE A 53 9.069 -5.017 3.295 0.97 0.00 H new ATOM 0 HZ PHE A 53 10.602 -5.487 1.427 1.00 0.00 H new ATOM 820 N LYS A 54 3.027 -7.680 2.631 0.98 0.00 N ATOM 821 CA LYS A 54 1.616 -7.723 2.993 0.07 0.00 C ATOM 822 C LYS A 54 1.206 -6.446 3.717 0.07 0.00 C ATOM 823 O LYS A 54 1.839 -6.046 4.695 0.78 0.00 O ATOM 824 CB LYS A 54 1.333 -8.938 3.877 0.10 0.00 C ATOM 825 CG LYS A 54 1.539 -10.266 3.167 1.00 0.00 C ATOM 826 CD LYS A 54 1.262 -11.439 4.092 0.16 0.00 C ATOM 827 CE LYS A 54 1.416 -12.767 3.369 0.09 0.00 C ATOM 828 NZ LYS A 54 2.787 -12.942 2.814 0.10 0.00 N ATOM 0 H LYS A 54 3.648 -7.420 3.397 0.98 0.00 H new ATOM 0 HA LYS A 54 1.031 -7.806 2.077 0.07 0.00 H new ATOM 0 HB2 LYS A 54 1.981 -8.899 4.753 0.10 0.00 H new ATOM 0 HB3 LYS A 54 0.306 -8.883 4.238 0.10 0.00 H new ATOM 0 HG2 LYS A 54 0.882 -10.322 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.562 -10.327 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.946 -11.404 4.940 0.16 0.00 H new ATOM 0 HD3 LYS A 54 0.252 -11.357 4.493 0.16 0.00 H new ATOM 0 HE2 LYS A 54 1.196 -13.583 4.058 0.09 0.00 H new ATOM 0 HE3 LYS A 54 0.687 -12.827 2.561 0.09 0.00 H new ATOM 0 HZ1 LYS A 54 2.915 -13.928 2.511 0.10 0.00 H new ATOM 0 HZ2 LYS A 54 2.915 -12.310 1.998 0.10 0.00 H new ATOM 0 HZ3 LYS A 54 3.490 -12.710 3.545 0.10 0.00 H new ATOM 842 N LEU A 55 0.142 -5.812 3.233 0.97 0.00 N ATOM 843 CA LEU A 55 -0.350 -4.578 3.833 0.53 0.00 C ATOM 844 C LEU A 55 -1.860 -4.631 4.051 0.19 0.00 C ATOM 845 O LEU A 55 -2.551 -5.484 3.493 0.18 0.00 O ATOM 846 CB LEU A 55 0.025 -3.357 2.976 1.00 0.00 C ATOM 847 CG LEU A 55 -0.081 -3.518 1.449 1.00 0.00 C ATOM 848 CD1 LEU A 55 1.031 -4.409 0.912 0.20 0.00 C ATOM 849 CD2 LEU A 55 -1.442 -4.065 1.043 0.21 0.00 C ATOM 0 H LEU A 55 -0.395 -6.133 2.427 0.97 0.00 H new ATOM 0 HA LEU A 55 0.130 -4.475 4.806 0.53 0.00 H new ATOM 0 HB2 LEU A 55 -0.613 -2.525 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.050 -3.076 3.217 1.00 0.00 H new ATOM 0 HG LEU A 55 0.031 -2.527 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.931 -4.505 -0.169 0.20 0.00 H new ATOM 0 HD12 LEU A 55 1.998 -3.966 1.149 0.20 0.00 H new ATOM 0 HD13 LEU A 55 0.961 -5.395 1.371 0.20 0.00 H new ATOM 0 HD21 LEU A 55 -1.484 -4.167 -0.041 0.21 0.00 H new ATOM 0 HD22 LEU A 55 -1.595 -5.040 1.505 0.21 0.00 H new ATOM 0 HD23 LEU A 55 -2.223 -3.380 1.374 0.21 0.00 H new ATOM 861 N VAL A 56 -2.363 -3.715 4.873 0.10 0.00 N ATOM 862 CA VAL A 56 -3.788 -3.649 5.173 1.00 0.00 C ATOM 863 C VAL A 56 -4.371 -2.293 4.780 0.08 0.00 C ATOM 864 O VAL A 56 -3.748 -1.254 4.996 0.34 0.00 O ATOM 865 CB VAL A 56 -4.057 -3.898 6.671 0.68 0.00 C ATOM 866 CG1 VAL A 56 -3.297 -2.897 7.526 0.70 0.00 C ATOM 867 CG2 VAL A 56 -5.549 -3.841 6.970 0.07 0.00 C ATOM 0 H VAL A 56 -1.802 -3.006 5.345 0.10 0.00 H new ATOM 0 HA VAL A 56 -4.272 -4.432 4.589 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.701 -4.898 6.919 0.68 0.00 H new ATOM 0 HG11 VAL A 56 -3.500 -3.090 8.579 0.70 0.00 H new ATOM 0 HG12 VAL A 56 -2.228 -2.996 7.339 0.70 0.00 H new ATOM 0 HG13 VAL A 56 -3.617 -1.886 7.274 0.70 0.00 H new ATOM 0 HG21 VAL A 56 -5.714 -4.020 8.033 0.07 0.00 H new ATOM 0 HG22 VAL A 56 -5.936 -2.858 6.703 0.07 0.00 H new ATOM 0 HG23 VAL A 56 -6.066 -4.605 6.389 0.07 0.00 H new ATOM 877 N ILE A 57 -5.566 -2.315 4.196 1.00 0.00 N ATOM 878 CA ILE A 57 -6.234 -1.090 3.777 0.86 0.00 C ATOM 879 C ILE A 57 -7.470 -0.835 4.633 0.07 0.00 C ATOM 880 O ILE A 57 -8.466 -1.551 4.533 0.69 0.00 O ATOM 881 CB ILE A 57 -6.650 -1.145 2.291 1.00 0.00 C ATOM 882 CG1 ILE A 57 -5.444 -1.450 1.400 1.00 0.00 C ATOM 883 CG2 ILE A 57 -7.295 0.169 1.872 1.00 0.00 C ATOM 884 CD1 ILE A 57 -5.085 -2.920 1.339 0.20 0.00 C ATOM 0 H ILE A 57 -6.090 -3.168 4.003 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.521 -0.276 3.907 0.86 0.00 H new ATOM 0 HB ILE A 57 -7.378 -1.948 2.171 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.650 -1.094 0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.583 -0.890 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.583 0.115 0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.180 0.351 2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.585 0.984 2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.221 -3.057 0.689 0.20 0.00 H new ATOM 0 HD12 ILE A 57 -4.846 -3.278 2.340 0.20 0.00 H new ATOM 0 HD13 ILE A 57 -5.930 -3.485 0.944 0.20 0.00 H new ATOM 896 N GLU A 58 -7.396 0.190 5.476 0.06 0.00 N ATOM 897 CA GLU A 58 -8.505 0.539 6.355 0.05 0.00 C ATOM 898 C GLU A 58 -9.376 1.628 5.738 1.00 0.00 C ATOM 899 O GLU A 58 -8.880 2.517 5.047 1.00 0.00 O ATOM 900 CB GLU A 58 -7.977 1.006 7.714 0.51 0.00 C ATOM 901 CG GLU A 58 -7.091 -0.015 8.407 0.10 0.00 C ATOM 902 CD GLU A 58 -6.553 0.486 9.734 0.48 0.00 C ATOM 903 OE1 GLU A 58 -7.237 0.298 10.762 0.34 0.00 O ATOM 904 OE2 GLU A 58 -5.446 1.066 9.744 0.08 0.00 O ATOM 0 H GLU A 58 -6.579 0.793 5.569 0.06 0.00 H new ATOM 0 HA GLU A 58 -9.116 -0.353 6.492 0.05 0.00 H new ATOM 0 HB2 GLU A 58 -7.414 1.930 7.578 0.51 0.00 H new ATOM 0 HB3 GLU A 58 -8.822 1.240 8.362 0.51 0.00 H new ATOM 0 HG2 GLU A 58 -7.658 -0.931 8.572 0.10 0.00 H new ATOM 0 HG3 GLU A 58 -6.257 -0.270 7.754 0.10 0.00 H new ATOM 911 N PHE A 59 -10.679 1.546 5.992 0.37 0.00 N ATOM 912 CA PHE A 59 -11.625 2.524 5.469 0.10 0.00 C ATOM 913 C PHE A 59 -12.414 3.168 6.604 0.09 0.00 C ATOM 914 O PHE A 59 -12.655 2.543 7.637 1.00 0.00 O ATOM 915 CB PHE A 59 -12.585 1.858 4.480 1.00 0.00 C ATOM 916 CG PHE A 59 -11.906 1.282 3.269 1.00 0.00 C ATOM 917 CD1 PHE A 59 -11.371 0.005 3.300 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.808 2.019 2.098 0.12 0.00 C ATOM 919 CE1 PHE A 59 -10.751 -0.529 2.186 0.07 0.00 C ATOM 920 CE2 PHE A 59 -11.188 1.492 0.981 0.47 0.00 C ATOM 921 CZ PHE A 59 -10.660 0.217 1.025 0.97 0.00 C ATOM 0 H PHE A 59 -11.103 0.811 6.558 0.37 0.00 H new ATOM 0 HA PHE A 59 -11.062 3.300 4.950 0.10 0.00 H new ATOM 0 HB2 PHE A 59 -13.127 1.064 4.993 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.324 2.591 4.156 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -11.439 -0.580 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -12.221 3.016 2.059 0.12 0.00 H new ATOM 0 HE1 PHE A 59 -10.339 -1.526 2.222 0.07 0.00 H new ATOM 0 HE2 PHE A 59 -11.117 2.076 0.076 0.47 0.00 H new ATOM 0 HZ PHE A 59 -10.176 -0.198 0.153 0.97 0.00 H new ATOM 931 N SER A 60 -12.813 4.422 6.411 1.00 0.00 N ATOM 932 CA SER A 60 -13.574 5.146 7.420 0.25 0.00 C ATOM 933 C SER A 60 -15.070 5.063 7.137 0.23 0.00 C ATOM 934 O SER A 60 -15.510 5.258 6.004 1.00 0.00 O ATOM 935 CB SER A 60 -13.137 6.609 7.466 1.00 0.00 C ATOM 936 OG SER A 60 -11.768 6.724 7.814 0.20 0.00 O ATOM 0 H SER A 60 -12.621 4.957 5.564 1.00 0.00 H new ATOM 0 HA SER A 60 -13.377 4.683 8.387 0.25 0.00 H new ATOM 0 HB2 SER A 60 -13.308 7.073 6.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.746 7.151 8.190 1.00 0.00 H new ATOM 0 HG SER A 60 -11.514 7.670 7.835 0.20 0.00 H new ATOM 942 N GLU A 61 -15.849 4.773 8.175 1.00 0.00 N ATOM 943 CA GLU A 61 -17.297 4.669 8.036 0.12 0.00 C ATOM 944 C GLU A 61 -17.912 6.033 7.737 0.07 0.00 C ATOM 945 O GLU A 61 -19.112 6.141 7.486 1.00 0.00 O ATOM 946 CB GLU A 61 -17.913 4.080 9.307 0.06 0.00 C ATOM 947 CG GLU A 61 -17.620 4.893 10.559 0.05 0.00 C ATOM 948 CD GLU A 61 -18.251 4.297 11.802 0.66 0.00 C ATOM 949 OE1 GLU A 61 -19.411 4.649 12.105 0.21 0.00 O ATOM 950 OE2 GLU A 61 -17.587 3.479 12.472 0.06 0.00 O ATOM 0 H GLU A 61 -15.502 4.606 9.120 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.512 4.004 7.200 0.12 0.00 H new ATOM 0 HB2 GLU A 61 -18.993 4.006 9.177 0.06 0.00 H new ATOM 0 HB3 GLU A 61 -17.538 3.066 9.446 0.06 0.00 H new ATOM 0 HG2 GLU A 61 -16.541 4.960 10.700 0.05 0.00 H new ATOM 0 HG3 GLU A 61 -17.987 5.910 10.422 0.05 0.00 H new ATOM 957 N GLU A 62 -17.079 7.071 7.770 0.13 0.00 N ATOM 958 CA GLU A 62 -17.534 8.429 7.497 0.80 0.00 C ATOM 959 C GLU A 62 -18.155 8.529 6.107 0.06 0.00 C ATOM 960 O GLU A 62 -19.376 8.475 5.957 0.08 0.00 O ATOM 961 CB GLU A 62 -16.371 9.415 7.619 0.26 0.00 C ATOM 962 CG GLU A 62 -15.983 9.735 9.054 0.18 0.00 C ATOM 963 CD GLU A 62 -15.385 8.547 9.780 0.11 0.00 C ATOM 964 OE1 GLU A 62 -16.157 7.687 10.252 0.11 0.00 O ATOM 965 OE2 GLU A 62 -14.140 8.479 9.881 1.00 0.00 O ATOM 0 H GLU A 62 -16.084 6.996 7.984 0.13 0.00 H new ATOM 0 HA GLU A 62 -18.296 8.682 8.234 0.80 0.00 H new ATOM 0 HB2 GLU A 62 -15.504 9.005 7.101 0.26 0.00 H new ATOM 0 HB3 GLU A 62 -16.638 10.341 7.110 0.26 0.00 H new ATOM 0 HG2 GLU A 62 -15.265 10.556 9.057 0.18 0.00 H new ATOM 0 HG3 GLU A 62 -16.864 10.080 9.595 0.18 0.00 H new ATOM 972 N TYR A 63 -17.305 8.671 5.094 1.00 0.00 N ATOM 973 CA TYR A 63 -17.765 8.779 3.714 0.07 0.00 C ATOM 974 C TYR A 63 -16.781 8.099 2.763 0.61 0.00 C ATOM 975 O TYR A 63 -15.584 8.032 3.047 1.00 0.00 O ATOM 976 CB TYR A 63 -17.937 10.248 3.323 0.43 0.00 C ATOM 977 CG TYR A 63 -19.010 10.967 4.109 0.11 0.00 C ATOM 978 CD1 TYR A 63 -20.349 10.851 3.758 0.06 0.00 C ATOM 979 CD2 TYR A 63 -18.684 11.758 5.204 0.16 0.00 C ATOM 980 CE1 TYR A 63 -21.334 11.505 4.475 0.06 0.00 C ATOM 981 CE2 TYR A 63 -19.664 12.414 5.927 1.00 0.00 C ATOM 982 CZ TYR A 63 -20.986 12.285 5.558 0.41 0.00 C ATOM 983 OH TYR A 63 -21.962 12.938 6.274 0.08 0.00 O ATOM 0 H TYR A 63 -16.292 8.714 5.204 1.00 0.00 H new ATOM 0 HA TYR A 63 -18.729 8.277 3.636 0.07 0.00 H new ATOM 0 HB2 TYR A 63 -16.988 10.765 3.464 0.43 0.00 H new ATOM 0 HB3 TYR A 63 -18.177 10.306 2.261 0.43 0.00 H new ATOM 0 HD1 TYR A 63 -20.625 10.240 2.911 0.06 0.00 H new ATOM 0 HD2 TYR A 63 -17.649 11.862 5.495 0.16 0.00 H new ATOM 0 HE1 TYR A 63 -22.371 11.406 4.188 0.06 0.00 H new ATOM 0 HE2 TYR A 63 -19.395 13.024 6.776 1.00 0.00 H new ATOM 0 HH TYR A 63 -21.549 13.443 7.005 0.08 0.00 H new ATOM 993 N PRO A 64 -17.271 7.586 1.618 0.06 0.00 N ATOM 994 CA PRO A 64 -16.420 6.911 0.631 0.12 0.00 C ATOM 995 C PRO A 64 -15.514 7.886 -0.113 1.00 0.00 C ATOM 996 O PRO A 64 -14.745 7.488 -0.990 0.94 0.00 O ATOM 997 CB PRO A 64 -17.426 6.277 -0.330 1.00 0.00 C ATOM 998 CG PRO A 64 -18.634 7.141 -0.231 0.12 0.00 C ATOM 999 CD PRO A 64 -18.685 7.621 1.193 0.07 0.00 C ATOM 0 HA PRO A 64 -15.745 6.193 1.097 0.12 0.00 H new ATOM 0 HB2 PRO A 64 -17.039 6.251 -1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.650 5.248 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -18.571 7.980 -0.924 0.12 0.00 H new ATOM 0 HG3 PRO A 64 -19.535 6.583 -0.487 0.12 0.00 H new ATOM 0 HD2 PRO A 64 -19.101 8.626 1.263 0.07 0.00 H new ATOM 0 HD3 PRO A 64 -19.307 6.975 1.813 0.07 0.00 H new ATOM 1007 N ASN A 65 -15.610 9.164 0.239 1.00 0.00 N ATOM 1008 CA ASN A 65 -14.801 10.196 -0.396 0.08 0.00 C ATOM 1009 C ASN A 65 -13.592 10.547 0.466 0.20 0.00 C ATOM 1010 O ASN A 65 -12.528 10.889 -0.053 1.00 0.00 O ATOM 1011 CB ASN A 65 -15.642 11.449 -0.649 0.87 0.00 C ATOM 1012 CG ASN A 65 -16.884 11.154 -1.468 0.43 0.00 C ATOM 1013 OD1 ASN A 65 -16.864 11.232 -2.696 0.28 0.00 O ATOM 1014 ND2 ASN A 65 -17.973 10.816 -0.789 0.46 0.00 N ATOM 0 H ASN A 65 -16.241 9.509 0.962 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.444 9.807 -1.350 0.08 0.00 H new ATOM 0 HB2 ASN A 65 -15.935 11.886 0.306 0.87 0.00 H new ATOM 0 HB3 ASN A 65 -15.036 12.192 -1.167 0.87 0.00 H new ATOM 0 HD21 ASN A 65 -18.840 10.608 -1.285 0.46 0.00 H new ATOM 0 HD22 ASN A 65 -17.943 10.764 0.229 0.46 0.00 H new ATOM 1021 N LYS A 66 -13.764 10.464 1.782 1.00 0.00 N ATOM 1022 CA LYS A 66 -12.688 10.775 2.717 0.41 0.00 C ATOM 1023 C LYS A 66 -11.455 9.914 2.440 0.15 0.00 C ATOM 1024 O LYS A 66 -11.570 8.806 1.915 1.00 0.00 O ATOM 1025 CB LYS A 66 -13.158 10.565 4.159 0.09 0.00 C ATOM 1026 CG LYS A 66 -14.281 11.500 4.582 1.00 0.00 C ATOM 1027 CD LYS A 66 -13.827 12.954 4.610 0.09 0.00 C ATOM 1028 CE LYS A 66 -12.752 13.188 5.660 0.29 0.00 C ATOM 1029 NZ LYS A 66 -13.219 12.820 7.026 0.16 0.00 N ATOM 0 H LYS A 66 -14.639 10.184 2.225 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.415 11.821 2.580 0.41 0.00 H new ATOM 0 HB2 LYS A 66 -13.493 9.534 4.275 0.09 0.00 H new ATOM 0 HB3 LYS A 66 -12.311 10.703 4.831 0.09 0.00 H new ATOM 0 HG2 LYS A 66 -15.120 11.395 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.641 11.212 5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.444 13.235 3.629 0.09 0.00 H new ATOM 0 HD3 LYS A 66 -14.682 13.598 4.815 0.09 0.00 H new ATOM 0 HE2 LYS A 66 -11.867 12.604 5.409 0.29 0.00 H new ATOM 0 HE3 LYS A 66 -12.455 14.237 5.648 0.29 0.00 H new ATOM 0 HZ1 LYS A 66 -12.572 13.222 7.734 0.16 0.00 H new ATOM 0 HZ2 LYS A 66 -14.176 13.196 7.179 0.16 0.00 H new ATOM 0 HZ3 LYS A 66 -13.235 11.784 7.120 0.16 0.00 H new ATOM 1043 N PRO A 67 -10.255 10.413 2.793 0.07 0.00 N ATOM 1044 CA PRO A 67 -9.000 9.684 2.576 0.52 0.00 C ATOM 1045 C PRO A 67 -8.864 8.470 3.496 0.67 0.00 C ATOM 1046 O PRO A 67 -8.946 8.605 4.718 0.21 0.00 O ATOM 1047 CB PRO A 67 -7.926 10.722 2.903 1.00 0.00 C ATOM 1048 CG PRO A 67 -8.584 11.656 3.857 0.27 0.00 C ATOM 1049 CD PRO A 67 -10.025 11.724 3.435 0.07 0.00 C ATOM 0 HA PRO A 67 -8.933 9.283 1.565 0.52 0.00 H new ATOM 0 HB2 PRO A 67 -7.047 10.256 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.592 11.243 2.006 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.493 11.296 4.882 0.27 0.00 H new ATOM 0 HG3 PRO A 67 -8.120 12.641 3.823 0.27 0.00 H new ATOM 0 HD2 PRO A 67 -10.687 11.876 4.288 0.07 0.00 H new ATOM 0 HD3 PRO A 67 -10.203 12.547 2.743 0.07 0.00 H new ATOM 1057 N PRO A 68 -8.654 7.266 2.929 0.17 0.00 N ATOM 1058 CA PRO A 68 -8.505 6.042 3.718 1.00 0.00 C ATOM 1059 C PRO A 68 -7.128 5.937 4.364 1.00 0.00 C ATOM 1060 O PRO A 68 -6.227 6.715 4.053 1.00 0.00 O ATOM 1061 CB PRO A 68 -8.694 4.933 2.685 0.13 0.00 C ATOM 1062 CG PRO A 68 -8.225 5.530 1.404 0.07 0.00 C ATOM 1063 CD PRO A 68 -8.550 7.000 1.478 0.29 0.00 C ATOM 0 HA PRO A 68 -9.213 5.999 4.545 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.115 4.046 2.945 0.13 0.00 H new ATOM 0 HB3 PRO A 68 -9.738 4.625 2.620 0.13 0.00 H new ATOM 0 HG2 PRO A 68 -7.154 5.375 1.272 0.07 0.00 H new ATOM 0 HG3 PRO A 68 -8.722 5.064 0.553 0.07 0.00 H new ATOM 0 HD2 PRO A 68 -7.771 7.606 1.015 0.29 0.00 H new ATOM 0 HD3 PRO A 68 -9.482 7.230 0.961 0.29 0.00 H new ATOM 1071 N THR A 69 -6.974 4.971 5.263 0.24 0.00 N ATOM 1072 CA THR A 69 -5.705 4.765 5.951 0.40 0.00 C ATOM 1073 C THR A 69 -5.122 3.394 5.628 0.08 0.00 C ATOM 1074 O THR A 69 -5.666 2.367 6.031 1.00 0.00 O ATOM 1075 CB THR A 69 -5.866 4.901 7.477 1.00 0.00 C ATOM 1076 OG1 THR A 69 -6.415 6.184 7.800 0.11 0.00 O ATOM 1077 CG2 THR A 69 -4.530 4.723 8.184 0.19 0.00 C ATOM 0 H THR A 69 -7.711 4.319 5.532 0.24 0.00 H new ATOM 0 HA THR A 69 -5.022 5.537 5.597 0.40 0.00 H new ATOM 0 HB THR A 69 -6.545 4.119 7.817 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.516 6.262 8.772 0.11 0.00 H new ATOM 0 HG21 THR A 69 -4.672 4.824 9.260 0.19 0.00 H new ATOM 0 HG22 THR A 69 -4.130 3.734 7.962 0.19 0.00 H new ATOM 0 HG23 THR A 69 -3.831 5.484 7.837 0.19 0.00 H new ATOM 1085 N VAL A 70 -4.007 3.386 4.903 0.33 0.00 N ATOM 1086 CA VAL A 70 -3.345 2.143 4.524 0.33 0.00 C ATOM 1087 C VAL A 70 -1.913 2.107 5.051 0.28 0.00 C ATOM 1088 O VAL A 70 -1.196 3.106 4.996 0.19 0.00 O ATOM 1089 CB VAL A 70 -3.331 1.957 2.993 0.06 0.00 C ATOM 1090 CG1 VAL A 70 -2.610 3.112 2.315 0.13 0.00 C ATOM 1091 CG2 VAL A 70 -2.693 0.626 2.620 0.12 0.00 C ATOM 0 H VAL A 70 -3.542 4.229 4.566 0.33 0.00 H new ATOM 0 HA VAL A 70 -3.913 1.327 4.970 0.33 0.00 H new ATOM 0 HB VAL A 70 -4.362 1.950 2.641 0.06 0.00 H new ATOM 0 HG11 VAL A 70 -2.613 2.959 1.236 0.13 0.00 H new ATOM 0 HG12 VAL A 70 -3.119 4.047 2.550 0.13 0.00 H new ATOM 0 HG13 VAL A 70 -1.581 3.159 2.672 0.13 0.00 H new ATOM 0 HG21 VAL A 70 -2.693 0.514 1.536 0.12 0.00 H new ATOM 0 HG22 VAL A 70 -1.667 0.598 2.988 0.12 0.00 H new ATOM 0 HG23 VAL A 70 -3.262 -0.188 3.069 0.12 0.00 H new ATOM 1101 N ARG A 71 -1.503 0.951 5.567 0.44 0.00 N ATOM 1102 CA ARG A 71 -0.157 0.790 6.108 1.00 0.00 C ATOM 1103 C ARG A 71 0.269 -0.675 6.095 1.00 0.00 C ATOM 1104 O ARG A 71 -0.559 -1.575 6.249 0.17 0.00 O ATOM 1105 CB ARG A 71 -0.096 1.343 7.534 0.07 0.00 C ATOM 1106 CG ARG A 71 -1.124 0.727 8.469 1.00 0.00 C ATOM 1107 CD ARG A 71 -1.069 1.359 9.851 0.29 0.00 C ATOM 1108 NE ARG A 71 -2.049 0.771 10.761 0.10 0.00 N ATOM 1109 CZ ARG A 71 -1.996 0.895 12.084 0.13 0.00 C ATOM 1110 NH1 ARG A 71 -1.014 1.582 12.653 0.07 0.00 N ATOM 1111 NH2 ARG A 71 -2.927 0.330 12.843 0.33 0.00 N ATOM 0 H ARG A 71 -2.083 0.114 5.622 0.44 0.00 H new ATOM 0 HA ARG A 71 0.533 1.349 5.476 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.901 1.171 7.939 0.07 0.00 H new ATOM 0 HB3 ARG A 71 -0.246 2.422 7.503 0.07 0.00 H new ATOM 0 HG2 ARG A 71 -2.122 0.854 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.947 -0.345 8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.069 1.236 10.266 0.29 0.00 H new ATOM 0 HD3 ARG A 71 -1.249 2.431 9.767 0.29 0.00 H new ATOM 0 HE ARG A 71 -2.818 0.235 10.359 0.10 0.00 H new ATOM 0 HH11 ARG A 71 -0.295 2.018 12.075 0.07 0.00 H new ATOM 0 HH12 ARG A 71 -0.978 1.674 13.668 0.07 0.00 H new ATOM 0 HH21 ARG A 71 -3.684 -0.200 12.412 0.33 0.00 H new ATOM 0 HH22 ARG A 71 -2.885 0.426 13.858 0.33 0.00 H new ATOM 1125 N PHE A 72 1.565 -0.910 5.909 0.18 0.00 N ATOM 1126 CA PHE A 72 2.104 -2.266 5.874 1.00 0.00 C ATOM 1127 C PHE A 72 2.028 -2.925 7.247 0.08 0.00 C ATOM 1128 O PHE A 72 2.207 -2.267 8.273 0.28 0.00 O ATOM 1129 CB PHE A 72 3.557 -2.254 5.393 0.31 0.00 C ATOM 1130 CG PHE A 72 3.714 -1.976 3.925 0.26 0.00 C ATOM 1131 CD1 PHE A 72 3.555 -0.692 3.425 0.60 0.00 C ATOM 1132 CD2 PHE A 72 4.022 -2.999 3.043 0.06 0.00 C ATOM 1133 CE1 PHE A 72 3.702 -0.436 2.075 0.51 0.00 C ATOM 1134 CE2 PHE A 72 4.170 -2.749 1.692 0.06 0.00 C ATOM 1135 CZ PHE A 72 4.010 -1.466 1.207 1.00 0.00 C ATOM 0 H PHE A 72 2.263 -0.177 5.780 0.18 0.00 H new ATOM 0 HA PHE A 72 1.498 -2.843 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.109 -1.501 5.956 0.31 0.00 H new ATOM 0 HB3 PHE A 72 4.012 -3.218 5.620 0.31 0.00 H new ATOM 0 HD1 PHE A 72 3.314 0.117 4.099 0.60 0.00 H new ATOM 0 HD2 PHE A 72 4.148 -4.005 3.416 0.06 0.00 H new ATOM 0 HE1 PHE A 72 3.576 0.568 1.699 0.51 0.00 H new ATOM 0 HE2 PHE A 72 4.411 -3.556 1.016 0.06 0.00 H new ATOM 0 HZ PHE A 72 4.125 -1.268 0.152 1.00 0.00 H new ATOM 1145 N LEU A 73 1.763 -4.228 7.257 0.12 0.00 N ATOM 1146 CA LEU A 73 1.674 -4.983 8.503 0.17 0.00 C ATOM 1147 C LEU A 73 3.054 -5.463 8.938 1.00 0.00 C ATOM 1148 O LEU A 73 3.406 -5.389 10.116 0.23 0.00 O ATOM 1149 CB LEU A 73 0.735 -6.182 8.336 1.00 0.00 C ATOM 1150 CG LEU A 73 -0.741 -5.833 8.125 0.87 0.00 C ATOM 1151 CD1 LEU A 73 -1.550 -7.090 7.846 0.28 0.00 C ATOM 1152 CD2 LEU A 73 -1.295 -5.103 9.341 0.15 0.00 C ATOM 0 H LEU A 73 1.606 -4.783 6.416 0.12 0.00 H new ATOM 0 HA LEU A 73 1.273 -4.324 9.273 0.17 0.00 H new ATOM 0 HB2 LEU A 73 1.076 -6.774 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.819 -6.814 9.220 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.819 -5.173 7.261 0.87 0.00 H new ATOM 0 HD11 LEU A 73 -2.597 -6.824 7.699 0.28 0.00 H new ATOM 0 HD12 LEU A 73 -1.169 -7.576 6.948 0.28 0.00 H new ATOM 0 HD13 LEU A 73 -1.465 -7.773 8.692 0.28 0.00 H new ATOM 0 HD21 LEU A 73 -2.345 -4.863 9.174 0.15 0.00 H new ATOM 0 HD22 LEU A 73 -1.204 -5.740 10.221 0.15 0.00 H new ATOM 0 HD23 LEU A 73 -0.733 -4.183 9.500 0.15 0.00 H new ATOM 1164 N SER A 74 3.831 -5.955 7.978 0.54 0.00 N ATOM 1165 CA SER A 74 5.173 -6.451 8.257 0.07 0.00 C ATOM 1166 C SER A 74 6.205 -5.336 8.114 0.09 0.00 C ATOM 1167 O SER A 74 5.892 -4.247 7.635 0.07 0.00 O ATOM 1168 CB SER A 74 5.516 -7.604 7.313 0.95 0.00 C ATOM 1169 OG SER A 74 6.793 -8.143 7.606 0.06 0.00 O ATOM 0 H SER A 74 3.553 -6.021 6.999 0.54 0.00 H new ATOM 0 HA SER A 74 5.196 -6.812 9.285 0.07 0.00 H new ATOM 0 HB2 SER A 74 4.760 -8.385 7.399 0.95 0.00 H new ATOM 0 HB3 SER A 74 5.495 -7.252 6.282 0.95 0.00 H new ATOM 0 HG SER A 74 6.921 -8.974 7.102 0.06 0.00 H new ATOM 1175 N LYS A 75 7.436 -5.618 8.533 0.36 0.00 N ATOM 1176 CA LYS A 75 8.516 -4.640 8.453 0.83 0.00 C ATOM 1177 C LYS A 75 8.752 -4.206 7.010 0.09 0.00 C ATOM 1178 O LYS A 75 8.837 -5.038 6.107 1.00 0.00 O ATOM 1179 CB LYS A 75 9.803 -5.219 9.042 0.33 0.00 C ATOM 1180 CG LYS A 75 9.708 -5.540 10.528 0.06 0.00 C ATOM 1181 CD LYS A 75 9.539 -4.281 11.367 0.85 0.00 C ATOM 1182 CE LYS A 75 10.782 -3.406 11.324 0.16 0.00 C ATOM 1183 NZ LYS A 75 11.969 -4.099 11.895 1.00 0.00 N ATOM 0 H LYS A 75 7.710 -6.516 8.931 0.36 0.00 H new ATOM 0 HA LYS A 75 8.223 -3.765 9.033 0.83 0.00 H new ATOM 0 HB2 LYS A 75 10.063 -6.128 8.499 0.33 0.00 H new ATOM 0 HB3 LYS A 75 10.615 -4.510 8.884 0.33 0.00 H new ATOM 0 HG2 LYS A 75 8.866 -6.209 10.702 0.06 0.00 H new ATOM 0 HG3 LYS A 75 10.607 -6.070 10.844 0.06 0.00 H new ATOM 0 HD2 LYS A 75 8.682 -3.714 11.004 0.85 0.00 H new ATOM 0 HD3 LYS A 75 9.324 -4.558 12.399 0.85 0.00 H new ATOM 0 HE2 LYS A 75 10.990 -3.121 10.293 0.16 0.00 H new ATOM 0 HE3 LYS A 75 10.597 -2.486 11.878 0.16 0.00 H new ATOM 0 HZ1 LYS A 75 12.720 -3.404 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.702 -4.569 12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.316 -4.808 11.218 1.00 0.00 H new ATOM 1197 N MET A 76 8.859 -2.897 6.801 0.29 0.00 N ATOM 1198 CA MET A 76 9.086 -2.350 5.468 0.16 0.00 C ATOM 1199 C MET A 76 9.980 -1.115 5.526 0.17 0.00 C ATOM 1200 O MET A 76 10.147 -0.507 6.582 0.17 0.00 O ATOM 1201 CB MET A 76 7.751 -1.998 4.800 0.16 0.00 C ATOM 1202 CG MET A 76 7.017 -0.841 5.462 0.53 0.00 C ATOM 1203 SD MET A 76 6.442 -1.235 7.125 0.95 0.00 S ATOM 1204 CE MET A 76 5.558 0.264 7.544 0.06 0.00 C ATOM 0 H MET A 76 8.792 -2.195 7.538 0.29 0.00 H new ATOM 0 HA MET A 76 9.591 -3.112 4.875 0.16 0.00 H new ATOM 0 HB2 MET A 76 7.933 -1.749 3.755 0.16 0.00 H new ATOM 0 HB3 MET A 76 7.107 -2.878 4.811 0.16 0.00 H new ATOM 0 HG2 MET A 76 7.678 0.024 5.507 0.53 0.00 H new ATOM 0 HG3 MET A 76 6.164 -0.558 4.845 0.53 0.00 H new ATOM 0 HE1 MET A 76 4.941 0.088 8.426 0.06 0.00 H new ATOM 0 HE2 MET A 76 6.272 1.061 7.753 0.06 0.00 H new ATOM 0 HE3 MET A 76 4.922 0.557 6.709 0.06 0.00 H new ATOM 1214 N PHE A 77 10.555 -0.755 4.383 0.27 0.00 N ATOM 1215 CA PHE A 77 11.435 0.406 4.301 1.00 0.00 C ATOM 1216 C PHE A 77 11.379 1.028 2.909 0.23 0.00 C ATOM 1217 O PHE A 77 11.821 0.426 1.931 0.07 0.00 O ATOM 1218 CB PHE A 77 12.871 0.006 4.642 0.08 0.00 C ATOM 1219 CG PHE A 77 13.809 1.172 4.783 0.94 0.00 C ATOM 1220 CD1 PHE A 77 13.878 1.881 5.971 0.94 0.00 C ATOM 1221 CD2 PHE A 77 14.626 1.554 3.730 0.21 0.00 C ATOM 1222 CE1 PHE A 77 14.742 2.951 6.107 0.80 0.00 C ATOM 1223 CE2 PHE A 77 15.493 2.623 3.860 0.20 0.00 C ATOM 1224 CZ PHE A 77 15.551 3.322 5.050 1.00 0.00 C ATOM 0 H PHE A 77 10.428 -1.250 3.501 0.27 0.00 H new ATOM 0 HA PHE A 77 11.094 1.147 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 77 12.869 -0.561 5.573 0.08 0.00 H new ATOM 0 HB3 PHE A 77 13.247 -0.659 3.865 0.08 0.00 H new ATOM 0 HD1 PHE A 77 13.249 1.594 6.801 0.94 0.00 H new ATOM 0 HD2 PHE A 77 14.585 1.010 2.798 0.21 0.00 H new ATOM 0 HE1 PHE A 77 14.785 3.496 7.038 0.80 0.00 H new ATOM 0 HE2 PHE A 77 16.124 2.911 3.032 0.20 0.00 H new ATOM 0 HZ PHE A 77 16.228 4.157 5.154 1.00 0.00 H new ATOM 1234 N HIS A 78 10.827 2.235 2.829 1.00 0.00 N ATOM 1235 CA HIS A 78 10.708 2.941 1.558 0.93 0.00 C ATOM 1236 C HIS A 78 11.349 4.327 1.642 0.28 0.00 C ATOM 1237 O HIS A 78 11.510 4.877 2.731 0.82 0.00 O ATOM 1238 CB HIS A 78 9.235 3.067 1.165 0.20 0.00 C ATOM 1239 CG HIS A 78 8.570 1.748 0.913 1.00 0.00 C ATOM 1240 ND1 HIS A 78 7.773 1.101 1.830 0.06 0.00 N ATOM 1241 CD2 HIS A 78 8.596 0.952 -0.188 0.42 0.00 C ATOM 1242 CE1 HIS A 78 7.349 -0.042 1.274 0.06 0.00 C ATOM 1243 NE2 HIS A 78 7.821 -0.178 0.049 0.16 0.00 N ATOM 0 H HIS A 78 10.455 2.745 3.630 1.00 0.00 H new ATOM 0 HA HIS A 78 11.234 2.366 0.796 0.93 0.00 H new ATOM 0 HB2 HIS A 78 8.699 3.590 1.957 0.20 0.00 H new ATOM 0 HB3 HIS A 78 9.157 3.682 0.268 0.20 0.00 H new ATOM 0 HD1 HIS A 78 7.545 1.433 2.767 0.06 0.00 H new ATOM 0 HD2 HIS A 78 9.133 1.163 -1.101 0.42 0.00 H new ATOM 0 HE1 HIS A 78 6.706 -0.758 1.764 0.06 0.00 H new ATOM 1251 N PRO A 79 11.726 4.913 0.486 0.14 0.00 N ATOM 1252 CA PRO A 79 12.353 6.239 0.441 0.23 0.00 C ATOM 1253 C PRO A 79 11.476 7.315 1.072 0.14 0.00 C ATOM 1254 O PRO A 79 11.965 8.373 1.470 0.07 0.00 O ATOM 1255 CB PRO A 79 12.538 6.511 -1.059 0.09 0.00 C ATOM 1256 CG PRO A 79 11.632 5.547 -1.745 1.00 0.00 C ATOM 1257 CD PRO A 79 11.575 4.337 -0.860 0.09 0.00 C ATOM 0 HA PRO A 79 13.286 6.261 1.004 0.23 0.00 H new ATOM 0 HB2 PRO A 79 12.279 7.540 -1.308 0.09 0.00 H new ATOM 0 HB3 PRO A 79 13.574 6.361 -1.362 0.09 0.00 H new ATOM 0 HG2 PRO A 79 10.640 5.976 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.011 5.290 -2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.632 3.801 -0.967 0.09 0.00 H new ATOM 0 HD3 PRO A 79 12.372 3.630 -1.089 0.09 0.00 H new ATOM 1265 N ASN A 80 10.177 7.040 1.162 0.25 0.00 N ATOM 1266 CA ASN A 80 9.237 7.987 1.747 0.05 0.00 C ATOM 1267 C ASN A 80 8.117 7.259 2.488 0.81 0.00 C ATOM 1268 O ASN A 80 7.360 6.494 1.892 1.00 0.00 O ATOM 1269 CB ASN A 80 8.646 8.879 0.653 0.07 0.00 C ATOM 1270 CG ASN A 80 8.007 8.077 -0.466 0.07 0.00 C ATOM 1271 OD1 ASN A 80 6.814 7.777 -0.428 0.10 0.00 O ATOM 1272 ND2 ASN A 80 8.802 7.727 -1.469 1.00 0.00 N ATOM 0 H ASN A 80 9.754 6.170 0.837 0.25 0.00 H new ATOM 0 HA ASN A 80 9.776 8.605 2.465 0.05 0.00 H new ATOM 0 HB2 ASN A 80 7.901 9.542 1.092 0.07 0.00 H new ATOM 0 HB3 ASN A 80 9.432 9.511 0.240 0.07 0.00 H new ATOM 0 HD21 ASN A 80 8.430 7.187 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.785 7.998 -1.459 1.00 0.00 H new ATOM 1279 N VAL A 81 8.024 7.504 3.790 0.38 0.00 N ATOM 1280 CA VAL A 81 6.994 6.880 4.615 1.00 0.00 C ATOM 1281 C VAL A 81 6.691 7.737 5.842 0.45 0.00 C ATOM 1282 O VAL A 81 7.548 8.485 6.314 0.48 0.00 O ATOM 1283 CB VAL A 81 7.411 5.465 5.069 0.54 0.00 C ATOM 1284 CG1 VAL A 81 8.537 5.526 6.090 0.41 0.00 C ATOM 1285 CG2 VAL A 81 6.216 4.708 5.631 0.09 0.00 C ATOM 0 H VAL A 81 8.649 8.130 4.298 0.38 0.00 H new ATOM 0 HA VAL A 81 6.097 6.797 4.001 1.00 0.00 H new ATOM 0 HB VAL A 81 7.780 4.927 4.196 0.54 0.00 H new ATOM 0 HG11 VAL A 81 8.810 4.515 6.392 0.41 0.00 H new ATOM 0 HG12 VAL A 81 9.403 6.019 5.648 0.41 0.00 H new ATOM 0 HG13 VAL A 81 8.206 6.088 6.963 0.41 0.00 H new ATOM 0 HG21 VAL A 81 6.531 3.713 5.945 0.09 0.00 H new ATOM 0 HG22 VAL A 81 5.813 5.249 6.487 0.09 0.00 H new ATOM 0 HG23 VAL A 81 5.447 4.620 4.863 0.09 0.00 H new ATOM 1295 N TYR A 82 5.468 7.625 6.354 0.07 0.00 N ATOM 1296 CA TYR A 82 5.064 8.391 7.529 1.00 0.00 C ATOM 1297 C TYR A 82 5.610 7.753 8.803 0.17 0.00 C ATOM 1298 O TYR A 82 5.929 6.566 8.826 0.15 0.00 O ATOM 1299 CB TYR A 82 3.540 8.495 7.600 0.32 0.00 C ATOM 1300 CG TYR A 82 2.937 9.309 6.478 0.18 0.00 C ATOM 1301 CD1 TYR A 82 2.942 10.697 6.522 1.00 0.00 C ATOM 1302 CD2 TYR A 82 2.365 8.690 5.372 0.06 0.00 C ATOM 1303 CE1 TYR A 82 2.394 11.447 5.501 0.43 0.00 C ATOM 1304 CE2 TYR A 82 1.815 9.433 4.344 0.10 0.00 C ATOM 1305 CZ TYR A 82 1.832 10.810 4.414 1.00 0.00 C ATOM 1306 OH TYR A 82 1.285 11.554 3.393 0.32 0.00 O ATOM 0 H TYR A 82 4.743 7.015 5.976 0.07 0.00 H new ATOM 0 HA TYR A 82 5.479 9.395 7.441 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.114 7.492 7.580 0.32 0.00 H new ATOM 0 HB3 TYR A 82 3.258 8.941 8.554 0.32 0.00 H new ATOM 0 HD1 TYR A 82 3.383 11.199 7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.350 7.612 5.315 0.06 0.00 H new ATOM 0 HE1 TYR A 82 2.405 12.526 5.553 0.43 0.00 H new ATOM 0 HE2 TYR A 82 1.375 8.938 3.491 0.10 0.00 H new ATOM 0 HH TYR A 82 0.933 10.954 2.703 0.32 0.00 H new ATOM 1316 N ALA A 83 5.711 8.552 9.862 0.12 0.00 N ATOM 1317 CA ALA A 83 6.226 8.070 11.139 0.11 0.00 C ATOM 1318 C ALA A 83 5.288 7.040 11.762 0.05 0.00 C ATOM 1319 O ALA A 83 5.694 6.261 12.625 0.56 0.00 O ATOM 1320 CB ALA A 83 6.440 9.236 12.093 0.79 0.00 C ATOM 0 H ALA A 83 5.443 9.536 9.860 0.12 0.00 H new ATOM 0 HA ALA A 83 7.183 7.582 10.954 0.11 0.00 H new ATOM 0 HB1 ALA A 83 6.824 8.863 13.042 0.79 0.00 H new ATOM 0 HB2 ALA A 83 7.157 9.934 11.660 0.79 0.00 H new ATOM 0 HB3 ALA A 83 5.492 9.747 12.261 0.79 0.00 H new ATOM 1326 N ASP A 84 4.035 7.039 11.321 0.85 0.00 N ATOM 1327 CA ASP A 84 3.043 6.102 11.840 1.00 0.00 C ATOM 1328 C ASP A 84 3.036 4.813 11.025 0.15 0.00 C ATOM 1329 O ASP A 84 2.290 3.881 11.322 0.26 0.00 O ATOM 1330 CB ASP A 84 1.653 6.743 11.830 0.11 0.00 C ATOM 1331 CG ASP A 84 0.604 5.866 12.485 0.19 0.00 C ATOM 1332 OD1 ASP A 84 0.488 5.906 13.727 0.70 0.00 O ATOM 1333 OD2 ASP A 84 -0.100 5.137 11.756 0.42 0.00 O ATOM 0 H ASP A 84 3.681 7.675 10.606 0.85 0.00 H new ATOM 0 HA ASP A 84 3.310 5.855 12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.695 7.702 12.347 0.11 0.00 H new ATOM 0 HB3 ASP A 84 1.359 6.949 10.801 0.11 0.00 H new ATOM 1338 N GLY A 85 3.877 4.767 9.995 0.07 0.00 N ATOM 1339 CA GLY A 85 3.957 3.588 9.151 0.08 0.00 C ATOM 1340 C GLY A 85 3.066 3.685 7.929 1.00 0.00 C ATOM 1341 O GLY A 85 3.133 2.839 7.038 1.00 0.00 O ATOM 0 H GLY A 85 4.505 5.526 9.730 0.07 0.00 H new ATOM 0 HA2 GLY A 85 4.989 3.443 8.833 0.08 0.00 H new ATOM 0 HA3 GLY A 85 3.676 2.710 9.732 0.08 0.00 H new ATOM 1345 N SER A 86 2.229 4.717 7.888 0.45 0.00 N ATOM 1346 CA SER A 86 1.325 4.922 6.763 0.19 0.00 C ATOM 1347 C SER A 86 2.104 5.053 5.460 0.54 0.00 C ATOM 1348 O SER A 86 3.244 5.516 5.451 0.94 0.00 O ATOM 1349 CB SER A 86 0.474 6.172 6.989 0.06 0.00 C ATOM 1350 OG SER A 86 -0.420 6.383 5.910 0.06 0.00 O ATOM 0 H SER A 86 2.158 5.423 8.620 0.45 0.00 H new ATOM 0 HA SER A 86 0.671 4.053 6.690 0.19 0.00 H new ATOM 0 HB2 SER A 86 -0.089 6.070 7.917 0.06 0.00 H new ATOM 0 HB3 SER A 86 1.122 7.041 7.104 0.06 0.00 H new ATOM 0 HG SER A 86 -0.954 7.187 6.080 0.06 0.00 H new ATOM 1356 N ILE A 87 1.484 4.640 4.360 0.42 0.00 N ATOM 1357 CA ILE A 87 2.125 4.710 3.052 0.70 0.00 C ATOM 1358 C ILE A 87 1.945 6.088 2.425 0.25 0.00 C ATOM 1359 O ILE A 87 0.834 6.619 2.378 0.59 0.00 O ATOM 1360 CB ILE A 87 1.560 3.646 2.092 0.13 0.00 C ATOM 1361 CG1 ILE A 87 1.531 2.277 2.775 1.00 0.00 C ATOM 1362 CG2 ILE A 87 2.391 3.592 0.817 0.59 0.00 C ATOM 1363 CD1 ILE A 87 0.784 1.226 1.984 0.06 0.00 C ATOM 0 H ILE A 87 0.540 4.254 4.348 0.42 0.00 H new ATOM 0 HA ILE A 87 3.187 4.520 3.210 0.70 0.00 H new ATOM 0 HB ILE A 87 0.539 3.920 1.827 0.13 0.00 H new ATOM 0 HG12 ILE A 87 2.554 1.939 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.069 2.379 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.981 2.836 0.147 0.59 0.00 H new ATOM 0 HG22 ILE A 87 2.366 4.564 0.325 0.59 0.00 H new ATOM 0 HG23 ILE A 87 3.421 3.337 1.065 0.59 0.00 H new ATOM 0 HD11 ILE A 87 0.803 0.281 2.526 0.06 0.00 H new ATOM 0 HD12 ILE A 87 -0.249 1.543 1.843 0.06 0.00 H new ATOM 0 HD13 ILE A 87 1.259 1.096 1.012 0.06 0.00 H new ATOM 1375 N CYS A 88 3.044 6.664 1.945 1.00 0.00 N ATOM 1376 CA CYS A 88 3.004 7.981 1.318 1.00 0.00 C ATOM 1377 C CYS A 88 2.710 7.863 -0.173 0.08 0.00 C ATOM 1378 O CYS A 88 3.601 7.560 -0.970 1.00 0.00 O ATOM 1379 CB CYS A 88 4.328 8.714 1.534 0.05 0.00 C ATOM 1380 SG CYS A 88 4.388 10.364 0.796 0.26 0.00 S ATOM 0 H CYS A 88 3.971 6.240 1.978 1.00 0.00 H new ATOM 0 HA CYS A 88 2.202 8.554 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.513 8.800 2.605 0.05 0.00 H new ATOM 0 HB3 CYS A 88 5.136 8.112 1.118 0.05 0.00 H new ATOM 0 HG CYS A 88 5.546 10.904 1.034 0.26 0.00 H new ATOM 1386 N LEU A 89 1.457 8.102 -0.544 1.00 0.00 N ATOM 1387 CA LEU A 89 1.044 8.022 -1.939 0.14 0.00 C ATOM 1388 C LEU A 89 0.350 9.312 -2.370 0.08 0.00 C ATOM 1389 O LEU A 89 -0.351 9.943 -1.578 1.00 0.00 O ATOM 1390 CB LEU A 89 0.108 6.828 -2.148 1.00 0.00 C ATOM 1391 CG LEU A 89 0.408 5.961 -3.376 1.00 0.00 C ATOM 1392 CD1 LEU A 89 0.332 6.784 -4.651 0.95 0.00 C ATOM 1393 CD2 LEU A 89 1.773 5.302 -3.243 1.00 0.00 C ATOM 0 H LEU A 89 0.709 8.353 0.103 1.00 0.00 H new ATOM 0 HA LEU A 89 1.935 7.885 -2.552 0.14 0.00 H new ATOM 0 HB2 LEU A 89 0.149 6.197 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.914 7.199 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.348 5.178 -3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.549 6.147 -5.509 0.95 0.00 H new ATOM 0 HD12 LEU A 89 -0.669 7.204 -4.754 0.95 0.00 H new ATOM 0 HD13 LEU A 89 1.062 7.593 -4.606 0.95 0.00 H new ATOM 0 HD21 LEU A 89 1.969 4.690 -4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.541 6.070 -3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.788 4.672 -2.353 1.00 0.00 H new ATOM 1405 N ASP A 90 0.549 9.696 -3.625 1.00 0.00 N ATOM 1406 CA ASP A 90 -0.058 10.910 -4.158 0.08 0.00 C ATOM 1407 C ASP A 90 -1.557 10.724 -4.364 1.00 0.00 C ATOM 1408 O ASP A 90 -2.309 11.696 -4.422 1.00 0.00 O ATOM 1409 CB ASP A 90 0.606 11.300 -5.480 1.00 0.00 C ATOM 1410 CG ASP A 90 2.091 11.560 -5.326 0.63 0.00 C ATOM 1411 OD1 ASP A 90 2.463 12.714 -5.022 0.88 0.00 O ATOM 1412 OD2 ASP A 90 2.883 10.612 -5.508 0.10 0.00 O ATOM 0 H ASP A 90 1.126 9.185 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 90 0.094 11.710 -3.433 0.08 0.00 H new ATOM 0 HB2 ASP A 90 0.453 10.504 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.123 12.193 -5.877 1.00 0.00 H new ATOM 1417 N ILE A 91 -1.986 9.468 -4.469 0.57 0.00 N ATOM 1418 CA ILE A 91 -3.397 9.160 -4.668 0.38 0.00 C ATOM 1419 C ILE A 91 -4.205 9.473 -3.414 0.05 0.00 C ATOM 1420 O ILE A 91 -5.398 9.764 -3.490 1.00 0.00 O ATOM 1421 CB ILE A 91 -3.604 7.678 -5.052 0.42 0.00 C ATOM 1422 CG1 ILE A 91 -5.050 7.440 -5.500 1.00 0.00 C ATOM 1423 CG2 ILE A 91 -3.252 6.772 -3.880 0.44 0.00 C ATOM 1424 CD1 ILE A 91 -5.280 6.074 -6.111 0.67 0.00 C ATOM 0 H ILE A 91 -1.378 8.651 -4.420 0.57 0.00 H new ATOM 0 HA ILE A 91 -3.748 9.786 -5.488 0.38 0.00 H new ATOM 0 HB ILE A 91 -2.941 7.439 -5.884 0.42 0.00 H new ATOM 0 HG12 ILE A 91 -5.712 7.561 -4.642 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.327 8.204 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.403 5.731 -4.166 0.44 0.00 H new ATOM 0 HG22 ILE A 91 -2.209 6.924 -3.603 0.44 0.00 H new ATOM 0 HG23 ILE A 91 -3.892 7.011 -3.030 0.44 0.00 H new ATOM 0 HD11 ILE A 91 -6.325 5.978 -6.404 0.67 0.00 H new ATOM 0 HD12 ILE A 91 -4.645 5.956 -6.989 0.67 0.00 H new ATOM 0 HD13 ILE A 91 -5.036 5.303 -5.380 0.67 0.00 H new ATOM 1436 N LEU A 92 -3.547 9.414 -2.258 0.25 0.00 N ATOM 1437 CA LEU A 92 -4.207 9.692 -0.987 1.00 0.00 C ATOM 1438 C LEU A 92 -4.387 11.193 -0.791 0.32 0.00 C ATOM 1439 O LEU A 92 -5.148 11.630 0.075 1.00 0.00 O ATOM 1440 CB LEU A 92 -3.398 9.108 0.174 0.30 0.00 C ATOM 1441 CG LEU A 92 -3.066 7.618 0.059 0.20 0.00 C ATOM 1442 CD1 LEU A 92 -2.220 7.168 1.239 0.14 0.00 C ATOM 1443 CD2 LEU A 92 -4.339 6.789 -0.028 0.46 0.00 C ATOM 0 H LEU A 92 -2.558 9.176 -2.177 0.25 0.00 H new ATOM 0 HA LEU A 92 -5.190 9.222 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.465 9.665 0.261 0.30 0.00 H new ATOM 0 HB3 LEU A 92 -3.953 9.269 1.098 0.30 0.00 H new ATOM 0 HG LEU A 92 -2.494 7.465 -0.856 0.20 0.00 H new ATOM 0 HD11 LEU A 92 -1.994 6.106 1.141 0.14 0.00 H new ATOM 0 HD12 LEU A 92 -1.290 7.737 1.258 0.14 0.00 H new ATOM 0 HD13 LEU A 92 -2.768 7.338 2.166 0.14 0.00 H new ATOM 0 HD21 LEU A 92 -4.081 5.733 -0.109 0.46 0.00 H new ATOM 0 HD22 LEU A 92 -4.939 6.948 0.868 0.46 0.00 H new ATOM 0 HD23 LEU A 92 -4.911 7.091 -0.905 0.46 0.00 H new ATOM 1455 N GLN A 93 -3.682 11.976 -1.600 1.00 0.00 N ATOM 1456 CA GLN A 93 -3.758 13.431 -1.522 0.37 0.00 C ATOM 1457 C GLN A 93 -5.049 13.943 -2.155 0.10 0.00 C ATOM 1458 O GLN A 93 -6.016 13.196 -2.308 0.05 0.00 O ATOM 1459 CB GLN A 93 -2.549 14.059 -2.216 0.73 0.00 C ATOM 1460 CG GLN A 93 -1.218 13.673 -1.593 1.00 0.00 C ATOM 1461 CD GLN A 93 -1.095 14.122 -0.149 0.60 0.00 C ATOM 1462 OE1 GLN A 93 -1.674 15.134 0.248 1.00 0.00 O ATOM 1463 NE2 GLN A 93 -0.337 13.372 0.642 0.10 0.00 N ATOM 0 H GLN A 93 -3.049 11.626 -2.320 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.755 13.717 -0.470 0.37 0.00 H new ATOM 0 HB2 GLN A 93 -2.549 13.762 -3.265 0.73 0.00 H new ATOM 0 HB3 GLN A 93 -2.650 15.144 -2.192 0.73 0.00 H new ATOM 0 HG2 GLN A 93 -1.098 12.591 -1.644 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -0.408 14.112 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 93 0.124 12.542 0.269 0.10 0.00 H new ATOM 0 HE22 GLN A 93 -0.215 13.626 1.622 0.10 0.00 H new ATOM 1472 N ASN A 94 -5.056 15.222 -2.519 1.00 0.00 N ATOM 1473 CA ASN A 94 -6.227 15.839 -3.136 1.00 0.00 C ATOM 1474 C ASN A 94 -6.502 15.239 -4.512 0.28 0.00 C ATOM 1475 O ASN A 94 -7.521 15.536 -5.135 0.08 0.00 O ATOM 1476 CB ASN A 94 -6.023 17.349 -3.261 0.36 0.00 C ATOM 1477 CG ASN A 94 -5.477 17.969 -1.990 0.57 0.00 C ATOM 1478 OD1 ASN A 94 -4.155 18.041 -1.886 0.24 0.00 O flip ATOM 1479 ND2 ASN A 94 -6.236 18.381 -1.111 0.77 0.00 N flip ATOM 0 H ASN A 94 -4.263 15.852 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.088 15.643 -2.497 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -5.338 17.553 -4.084 0.36 0.00 H new ATOM 0 HB3 ASN A 94 -6.973 17.821 -3.513 0.36 0.00 H new ATOM 0 HD21 ASN A 94 -7.246 18.306 -1.233 0.77 0.00 H new ATOM 0 HD22 ASN A 94 -5.854 18.797 -0.262 0.77 0.00 H new ATOM 1486 N ARG A 95 -5.588 14.396 -4.978 0.05 0.00 N ATOM 1487 CA ARG A 95 -5.727 13.759 -6.283 1.00 0.00 C ATOM 1488 C ARG A 95 -6.764 12.638 -6.241 0.13 0.00 C ATOM 1489 O ARG A 95 -7.215 12.158 -7.282 0.48 0.00 O ATOM 1490 CB ARG A 95 -4.377 13.205 -6.744 0.97 0.00 C ATOM 1491 CG ARG A 95 -4.367 12.757 -8.196 1.00 0.00 C ATOM 1492 CD ARG A 95 -3.013 12.198 -8.594 1.00 0.00 C ATOM 1493 NE ARG A 95 -1.936 13.161 -8.375 0.05 0.00 N ATOM 1494 CZ ARG A 95 -0.646 12.874 -8.522 1.00 0.00 C ATOM 1495 NH1 ARG A 95 -0.272 11.654 -8.884 0.28 0.00 N ATOM 1496 NH2 ARG A 95 0.272 13.806 -8.304 0.27 0.00 N ATOM 0 H ARG A 95 -4.742 14.137 -4.471 0.05 0.00 H new ATOM 0 HA ARG A 95 -6.068 14.513 -6.993 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.613 13.969 -6.603 0.97 0.00 H new ATOM 0 HB3 ARG A 95 -4.104 12.361 -6.110 0.97 0.00 H new ATOM 0 HG2 ARG A 95 -5.135 11.999 -8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.618 13.600 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -2.812 11.293 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.034 11.911 -9.645 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.188 14.108 -8.093 0.05 0.00 H new ATOM 0 HH11 ARG A 95 -0.975 10.933 -9.050 0.28 0.00 H new ATOM 0 HH12 ARG A 95 0.718 11.436 -8.996 0.28 0.00 H new ATOM 0 HH21 ARG A 95 -0.011 14.745 -8.023 0.27 0.00 H new ATOM 0 HH22 ARG A 95 1.261 13.584 -8.417 0.27 0.00 H new ATOM 1510 N TRP A 96 -7.143 12.226 -5.034 0.29 0.00 N ATOM 1511 CA TRP A 96 -8.125 11.160 -4.862 1.00 0.00 C ATOM 1512 C TRP A 96 -9.463 11.539 -5.491 0.93 0.00 C ATOM 1513 O TRP A 96 -9.849 12.707 -5.499 0.55 0.00 O ATOM 1514 CB TRP A 96 -8.317 10.842 -3.377 0.60 0.00 C ATOM 1515 CG TRP A 96 -9.408 9.848 -3.116 0.11 0.00 C ATOM 1516 CD1 TRP A 96 -10.594 10.080 -2.477 0.14 0.00 C ATOM 1517 CD2 TRP A 96 -9.418 8.464 -3.489 1.00 0.00 C ATOM 1518 NE1 TRP A 96 -11.337 8.926 -2.430 0.06 0.00 N ATOM 1519 CE2 TRP A 96 -10.636 7.920 -3.043 0.07 0.00 C ATOM 1520 CE3 TRP A 96 -8.513 7.634 -4.156 1.00 0.00 C ATOM 1521 CZ2 TRP A 96 -10.974 6.584 -3.243 0.71 0.00 C ATOM 1522 CZ3 TRP A 96 -8.848 6.307 -4.354 0.25 0.00 C ATOM 1523 CH2 TRP A 96 -10.069 5.793 -3.899 1.00 0.00 C ATOM 0 H TRP A 96 -6.785 12.614 -4.161 0.29 0.00 H new ATOM 0 HA TRP A 96 -7.746 10.272 -5.369 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -7.381 10.457 -2.972 0.60 0.00 H new ATOM 0 HB3 TRP A 96 -8.541 11.765 -2.842 0.60 0.00 H new ATOM 0 HD1 TRP A 96 -10.902 11.031 -2.069 0.14 0.00 H new ATOM 0 HE1 TRP A 96 -12.261 8.833 -2.007 0.06 0.00 H new ATOM 0 HE3 TRP A 96 -7.569 8.022 -4.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -11.915 6.186 -2.894 0.71 0.00 H new ATOM 0 HZ3 TRP A 96 -8.157 5.656 -4.868 0.25 0.00 H new ATOM 0 HH2 TRP A 96 -10.301 4.752 -4.069 1.00 0.00 H new ATOM 1534 N SER A 97 -10.164 10.539 -6.016 1.00 0.00 N ATOM 1535 CA SER A 97 -11.459 10.758 -6.647 0.13 0.00 C ATOM 1536 C SER A 97 -12.408 9.600 -6.344 0.15 0.00 C ATOM 1537 O SER A 97 -11.974 8.454 -6.222 1.00 0.00 O ATOM 1538 CB SER A 97 -11.292 10.911 -8.158 0.80 0.00 C ATOM 1539 OG SER A 97 -12.517 11.265 -8.777 0.13 0.00 O ATOM 0 H SER A 97 -9.855 9.567 -6.016 1.00 0.00 H new ATOM 0 HA SER A 97 -11.886 11.675 -6.241 0.13 0.00 H new ATOM 0 HB2 SER A 97 -10.542 11.674 -8.368 0.80 0.00 H new ATOM 0 HB3 SER A 97 -10.924 9.977 -8.582 0.80 0.00 H new ATOM 0 HG SER A 97 -12.381 11.358 -9.743 0.13 0.00 H new ATOM 1545 N PRO A 98 -13.720 9.879 -6.217 1.00 0.00 N ATOM 1546 CA PRO A 98 -14.721 8.843 -5.931 1.00 0.00 C ATOM 1547 C PRO A 98 -14.797 7.798 -7.039 0.05 0.00 C ATOM 1548 O PRO A 98 -15.460 6.772 -6.892 1.00 0.00 O ATOM 1549 CB PRO A 98 -16.041 9.621 -5.841 0.42 0.00 C ATOM 1550 CG PRO A 98 -15.645 11.043 -5.628 0.14 0.00 C ATOM 1551 CD PRO A 98 -14.331 11.213 -6.334 0.07 0.00 C ATOM 0 HA PRO A 98 -14.481 8.289 -5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -16.627 9.508 -6.753 0.42 0.00 H new ATOM 0 HB3 PRO A 98 -16.657 9.257 -5.019 0.42 0.00 H new ATOM 0 HG2 PRO A 98 -16.396 11.722 -6.031 0.14 0.00 H new ATOM 0 HG3 PRO A 98 -15.550 11.267 -4.566 0.14 0.00 H new ATOM 0 HD2 PRO A 98 -14.467 11.505 -7.375 0.07 0.00 H new ATOM 0 HD3 PRO A 98 -13.717 11.981 -5.865 0.07 0.00 H new ATOM 1559 N THR A 99 -14.113 8.068 -8.149 1.00 0.00 N ATOM 1560 CA THR A 99 -14.104 7.152 -9.284 0.51 0.00 C ATOM 1561 C THR A 99 -13.167 5.974 -9.038 0.43 0.00 C ATOM 1562 O THR A 99 -13.555 4.818 -9.210 1.00 0.00 O ATOM 1563 CB THR A 99 -13.680 7.869 -10.580 0.05 0.00 C ATOM 1564 OG1 THR A 99 -12.382 8.452 -10.418 0.41 0.00 O ATOM 1565 CG2 THR A 99 -14.684 8.949 -10.953 0.17 0.00 C ATOM 0 H THR A 99 -13.559 8.913 -8.285 1.00 0.00 H new ATOM 0 HA THR A 99 -15.123 6.782 -9.397 0.51 0.00 H new ATOM 0 HB THR A 99 -13.647 7.132 -11.382 0.05 0.00 H new ATOM 0 HG1 THR A 99 -12.466 9.317 -9.965 0.41 0.00 H new ATOM 0 HG21 THR A 99 -14.364 9.442 -11.871 0.17 0.00 H new ATOM 0 HG22 THR A 99 -15.664 8.497 -11.106 0.17 0.00 H new ATOM 0 HG23 THR A 99 -14.744 9.683 -10.149 0.17 0.00 H new ATOM 1573 N TYR A 100 -11.933 6.274 -8.643 0.05 0.00 N ATOM 1574 CA TYR A 100 -10.944 5.235 -8.372 0.34 0.00 C ATOM 1575 C TYR A 100 -11.477 4.238 -7.347 0.06 0.00 C ATOM 1576 O TYR A 100 -12.153 4.618 -6.391 1.00 0.00 O ATOM 1577 CB TYR A 100 -9.638 5.855 -7.867 0.18 0.00 C ATOM 1578 CG TYR A 100 -8.941 6.724 -8.890 0.10 0.00 C ATOM 1579 CD1 TYR A 100 -9.402 8.002 -9.175 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -7.820 6.265 -9.571 0.13 0.00 C ATOM 1581 CE1 TYR A 100 -8.767 8.799 -10.108 1.00 0.00 C ATOM 1582 CE2 TYR A 100 -7.178 7.057 -10.506 0.33 0.00 C ATOM 1583 CZ TYR A 100 -7.657 8.323 -10.770 0.27 0.00 C ATOM 1584 OH TYR A 100 -7.023 9.113 -11.701 0.08 0.00 O ATOM 0 H TYR A 100 -11.594 7.226 -8.504 0.05 0.00 H new ATOM 0 HA TYR A 100 -10.745 4.706 -9.304 0.34 0.00 H new ATOM 0 HB2 TYR A 100 -9.849 6.452 -6.980 0.18 0.00 H new ATOM 0 HB3 TYR A 100 -8.962 5.057 -7.561 0.18 0.00 H new ATOM 0 HD1 TYR A 100 -10.272 8.380 -8.659 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.444 5.273 -9.367 0.13 0.00 H new ATOM 0 HE1 TYR A 100 -9.139 9.791 -10.317 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -6.307 6.686 -11.026 0.33 0.00 H new ATOM 0 HH TYR A 100 -6.258 8.628 -12.074 0.08 0.00 H new ATOM 1594 N ASP A 101 -11.171 2.961 -7.554 0.13 0.00 N ATOM 1595 CA ASP A 101 -11.630 1.910 -6.653 0.17 0.00 C ATOM 1596 C ASP A 101 -10.457 1.254 -5.929 1.00 0.00 C ATOM 1597 O ASP A 101 -9.319 1.714 -6.024 1.00 0.00 O ATOM 1598 CB ASP A 101 -12.421 0.857 -7.430 0.50 0.00 C ATOM 1599 CG ASP A 101 -13.643 1.443 -8.110 0.53 0.00 C ATOM 1600 OD1 ASP A 101 -14.703 1.530 -7.455 0.59 0.00 O ATOM 1601 OD2 ASP A 101 -13.539 1.815 -9.298 0.56 0.00 O ATOM 0 H ASP A 101 -10.608 2.629 -8.337 0.13 0.00 H new ATOM 0 HA ASP A 101 -12.279 2.366 -5.906 0.17 0.00 H new ATOM 0 HB2 ASP A 101 -11.775 0.400 -8.179 0.50 0.00 H new ATOM 0 HB3 ASP A 101 -12.731 0.064 -6.750 0.50 0.00 H new ATOM 1606 N VAL A 102 -10.750 0.176 -5.208 0.23 0.00 N ATOM 1607 CA VAL A 102 -9.730 -0.551 -4.461 1.00 0.00 C ATOM 1608 C VAL A 102 -8.634 -1.075 -5.386 0.26 0.00 C ATOM 1609 O VAL A 102 -7.485 -1.234 -4.975 0.48 0.00 O ATOM 1610 CB VAL A 102 -10.347 -1.732 -3.683 0.40 0.00 C ATOM 1611 CG1 VAL A 102 -9.279 -2.501 -2.921 0.54 0.00 C ATOM 1612 CG2 VAL A 102 -11.430 -1.236 -2.737 1.00 0.00 C ATOM 0 H VAL A 102 -11.689 -0.214 -5.125 0.23 0.00 H new ATOM 0 HA VAL A 102 -9.290 0.152 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.801 -2.413 -4.403 0.40 0.00 H new ATOM 0 HG11 VAL A 102 -9.741 -3.328 -2.382 0.54 0.00 H new ATOM 0 HG12 VAL A 102 -8.542 -2.892 -3.622 0.54 0.00 H new ATOM 0 HG13 VAL A 102 -8.787 -1.835 -2.212 0.54 0.00 H new ATOM 0 HG21 VAL A 102 -11.855 -2.081 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.998 -0.531 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.214 -0.740 -3.309 1.00 0.00 H new ATOM 1622 N SER A 103 -8.993 -1.337 -6.639 0.10 0.00 N ATOM 1623 CA SER A 103 -8.038 -1.846 -7.617 0.28 0.00 C ATOM 1624 C SER A 103 -6.997 -0.789 -7.976 1.00 0.00 C ATOM 1625 O SER A 103 -5.839 -1.110 -8.240 0.86 0.00 O ATOM 1626 CB SER A 103 -8.766 -2.308 -8.881 0.10 0.00 C ATOM 1627 OG SER A 103 -7.849 -2.791 -9.848 0.53 0.00 O ATOM 0 H SER A 103 -9.938 -1.205 -7.001 0.10 0.00 H new ATOM 0 HA SER A 103 -7.523 -2.695 -7.168 0.28 0.00 H new ATOM 0 HB2 SER A 103 -9.480 -3.092 -8.628 0.10 0.00 H new ATOM 0 HB3 SER A 103 -9.338 -1.479 -9.299 0.10 0.00 H new ATOM 0 HG SER A 103 -8.338 -3.082 -10.646 0.53 0.00 H new ATOM 1633 N SER A 104 -7.419 0.472 -7.984 0.06 0.00 N ATOM 1634 CA SER A 104 -6.525 1.575 -8.319 0.42 0.00 C ATOM 1635 C SER A 104 -5.532 1.847 -7.192 0.81 0.00 C ATOM 1636 O SER A 104 -4.324 1.908 -7.419 1.00 0.00 O ATOM 1637 CB SER A 104 -7.335 2.837 -8.613 0.35 0.00 C ATOM 1638 OG SER A 104 -8.185 2.649 -9.731 1.00 0.00 O ATOM 0 H SER A 104 -8.374 0.755 -7.763 0.06 0.00 H new ATOM 0 HA SER A 104 -5.961 1.291 -9.207 0.42 0.00 H new ATOM 0 HB2 SER A 104 -7.931 3.102 -7.740 0.35 0.00 H new ATOM 0 HB3 SER A 104 -6.659 3.671 -8.802 0.35 0.00 H new ATOM 0 HG SER A 104 -8.693 3.470 -9.897 1.00 0.00 H new ATOM 1644 N ILE A 105 -6.049 2.010 -5.979 0.52 0.00 N ATOM 1645 CA ILE A 105 -5.213 2.285 -4.816 0.07 0.00 C ATOM 1646 C ILE A 105 -4.218 1.154 -4.562 1.00 0.00 C ATOM 1647 O ILE A 105 -3.110 1.391 -4.080 0.35 0.00 O ATOM 1648 CB ILE A 105 -6.077 2.510 -3.553 0.47 0.00 C ATOM 1649 CG1 ILE A 105 -5.196 2.792 -2.321 0.12 0.00 C ATOM 1650 CG2 ILE A 105 -6.997 1.320 -3.320 0.35 0.00 C ATOM 1651 CD1 ILE A 105 -4.820 1.562 -1.513 1.00 0.00 C ATOM 0 H ILE A 105 -7.047 1.956 -5.775 0.52 0.00 H new ATOM 0 HA ILE A 105 -4.654 3.196 -5.032 0.07 0.00 H new ATOM 0 HB ILE A 105 -6.699 3.390 -3.714 0.47 0.00 H new ATOM 0 HG12 ILE A 105 -4.282 3.286 -2.651 0.12 0.00 H new ATOM 0 HG13 ILE A 105 -5.720 3.492 -1.669 0.12 0.00 H new ATOM 0 HG21 ILE A 105 -7.598 1.494 -2.428 0.35 0.00 H new ATOM 0 HG22 ILE A 105 -7.654 1.194 -4.181 0.35 0.00 H new ATOM 0 HG23 ILE A 105 -6.399 0.419 -3.184 0.35 0.00 H new ATOM 0 HD11 ILE A 105 -4.200 1.858 -0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.725 1.076 -1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.265 0.868 -2.144 1.00 0.00 H new ATOM 1663 N LEU A 106 -4.613 -0.071 -4.892 0.06 0.00 N ATOM 1664 CA LEU A 106 -3.750 -1.229 -4.685 0.35 0.00 C ATOM 1665 C LEU A 106 -2.558 -1.205 -5.636 0.14 0.00 C ATOM 1666 O LEU A 106 -1.430 -1.502 -5.242 0.21 0.00 O ATOM 1667 CB LEU A 106 -4.544 -2.526 -4.869 0.33 0.00 C ATOM 1668 CG LEU A 106 -4.155 -3.669 -3.929 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -4.320 -3.249 -2.476 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -4.991 -4.904 -4.223 0.09 0.00 C ATOM 0 H LEU A 106 -5.521 -0.288 -5.302 0.06 0.00 H new ATOM 0 HA LEU A 106 -3.371 -1.186 -3.664 0.35 0.00 H new ATOM 0 HB2 LEU A 106 -5.603 -2.307 -4.730 0.33 0.00 H new ATOM 0 HB3 LEU A 106 -4.421 -2.865 -5.897 0.33 0.00 H new ATOM 0 HG LEU A 106 -3.106 -3.911 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.038 -4.076 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.680 -2.391 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.360 -2.979 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.702 -5.708 -3.546 0.09 0.00 H new ATOM 0 HD22 LEU A 106 -6.046 -4.671 -4.081 0.09 0.00 H new ATOM 0 HD23 LEU A 106 -4.824 -5.219 -5.253 0.09 0.00 H new ATOM 1682 N THR A 107 -2.811 -0.845 -6.891 0.28 0.00 N ATOM 1683 CA THR A 107 -1.758 -0.782 -7.896 1.00 0.00 C ATOM 1684 C THR A 107 -0.858 0.431 -7.679 0.38 0.00 C ATOM 1685 O THR A 107 0.315 0.421 -8.055 0.43 0.00 O ATOM 1686 CB THR A 107 -2.338 -0.729 -9.321 0.09 0.00 C ATOM 1687 OG1 THR A 107 -3.231 0.384 -9.447 0.88 0.00 O ATOM 1688 CG2 THR A 107 -3.076 -2.017 -9.651 0.77 0.00 C ATOM 0 H THR A 107 -3.737 -0.593 -7.235 0.28 0.00 H new ATOM 0 HA THR A 107 -1.168 -1.692 -7.788 1.00 0.00 H new ATOM 0 HB THR A 107 -1.512 -0.611 -10.022 0.09 0.00 H new ATOM 0 HG1 THR A 107 -3.365 0.797 -8.568 0.88 0.00 H new ATOM 0 HG21 THR A 107 -3.478 -1.957 -10.663 0.77 0.00 H new ATOM 0 HG22 THR A 107 -2.387 -2.859 -9.583 0.77 0.00 H new ATOM 0 HG23 THR A 107 -3.893 -2.159 -8.944 0.77 0.00 H new ATOM 1696 N SER A 108 -1.416 1.474 -7.073 0.12 0.00 N ATOM 1697 CA SER A 108 -0.668 2.699 -6.806 0.73 0.00 C ATOM 1698 C SER A 108 0.505 2.430 -5.869 0.59 0.00 C ATOM 1699 O SER A 108 1.624 2.883 -6.113 0.35 0.00 O ATOM 1700 CB SER A 108 -1.587 3.760 -6.199 1.00 0.00 C ATOM 1701 OG SER A 108 -2.633 4.099 -7.091 1.00 0.00 O ATOM 0 H SER A 108 -2.385 1.496 -6.757 0.12 0.00 H new ATOM 0 HA SER A 108 -0.274 3.067 -7.753 0.73 0.00 H new ATOM 0 HB2 SER A 108 -2.008 3.389 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.008 4.651 -5.957 1.00 0.00 H new ATOM 0 HG SER A 108 -3.226 3.328 -7.208 1.00 0.00 H new ATOM 1707 N ILE A 109 0.242 1.692 -4.794 1.00 0.00 N ATOM 1708 CA ILE A 109 1.275 1.363 -3.820 0.07 0.00 C ATOM 1709 C ILE A 109 2.374 0.514 -4.451 0.08 0.00 C ATOM 1710 O ILE A 109 3.557 0.706 -4.169 0.62 0.00 O ATOM 1711 CB ILE A 109 0.685 0.607 -2.612 0.94 0.00 C ATOM 1712 CG1 ILE A 109 -0.435 1.426 -1.966 0.24 0.00 C ATOM 1713 CG2 ILE A 109 1.776 0.295 -1.596 0.09 0.00 C ATOM 1714 CD1 ILE A 109 -1.220 0.666 -0.918 1.00 0.00 C ATOM 0 H ILE A 109 -0.679 1.311 -4.576 1.00 0.00 H new ATOM 0 HA ILE A 109 1.701 2.306 -3.477 0.07 0.00 H new ATOM 0 HB ILE A 109 0.264 -0.335 -2.963 0.94 0.00 H new ATOM 0 HG12 ILE A 109 -0.004 2.317 -1.509 0.24 0.00 H new ATOM 0 HG13 ILE A 109 -1.119 1.766 -2.744 0.24 0.00 H new ATOM 0 HG21 ILE A 109 1.343 -0.239 -0.750 0.09 0.00 H new ATOM 0 HG22 ILE A 109 2.541 -0.325 -2.063 0.09 0.00 H new ATOM 0 HG23 ILE A 109 2.225 1.225 -1.247 0.09 0.00 H new ATOM 0 HD11 ILE A 109 -1.996 1.311 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -1.681 -0.210 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.549 0.349 -0.120 1.00 0.00 H new ATOM 1726 N GLN A 110 1.976 -0.426 -5.305 0.36 0.00 N ATOM 1727 CA GLN A 110 2.931 -1.301 -5.976 0.93 0.00 C ATOM 1728 C GLN A 110 3.815 -0.502 -6.929 0.10 0.00 C ATOM 1729 O GLN A 110 4.994 -0.811 -7.106 1.00 0.00 O ATOM 1730 CB GLN A 110 2.199 -2.404 -6.742 1.00 0.00 C ATOM 1731 CG GLN A 110 3.133 -3.377 -7.444 0.06 0.00 C ATOM 1732 CD GLN A 110 2.390 -4.415 -8.262 0.06 0.00 C ATOM 1733 OE1 GLN A 110 2.096 -5.553 -7.647 0.25 0.00 O flip ATOM 1734 NE2 GLN A 110 2.091 -4.198 -9.437 1.00 0.00 N flip ATOM 0 H GLN A 110 1.001 -0.600 -5.548 0.36 0.00 H new ATOM 0 HA GLN A 110 3.563 -1.760 -5.216 0.93 0.00 H new ATOM 0 HB2 GLN A 110 1.565 -2.957 -6.049 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.541 -1.947 -7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.807 -2.821 -8.096 0.06 0.00 H new ATOM 0 HG3 GLN A 110 3.752 -3.881 -6.701 0.06 0.00 H new ATOM 0 HE21 GLN A 110 2.337 -3.308 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.597 -4.908 -9.977 1.00 0.00 H new ATOM 1743 N SER A 111 3.234 0.525 -7.540 0.12 0.00 N ATOM 1744 CA SER A 111 3.963 1.376 -8.472 1.00 0.00 C ATOM 1745 C SER A 111 4.970 2.246 -7.730 0.54 0.00 C ATOM 1746 O SER A 111 6.009 2.619 -8.277 1.00 0.00 O ATOM 1747 CB SER A 111 2.990 2.260 -9.256 1.00 0.00 C ATOM 1748 OG SER A 111 2.075 1.475 -10.001 0.73 0.00 O ATOM 0 H SER A 111 2.258 0.788 -7.406 0.12 0.00 H new ATOM 0 HA SER A 111 4.502 0.735 -9.169 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.444 2.905 -8.567 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.547 2.912 -9.929 1.00 0.00 H new ATOM 0 HG SER A 111 1.423 1.067 -9.393 0.73 0.00 H new ATOM 1754 N LEU A 112 4.651 2.567 -6.480 0.25 0.00 N ATOM 1755 CA LEU A 112 5.517 3.397 -5.651 0.21 0.00 C ATOM 1756 C LEU A 112 6.893 2.759 -5.507 0.57 0.00 C ATOM 1757 O LEU A 112 7.895 3.451 -5.312 1.00 0.00 O ATOM 1758 CB LEU A 112 4.887 3.600 -4.271 1.00 0.00 C ATOM 1759 CG LEU A 112 5.648 4.545 -3.338 0.11 0.00 C ATOM 1760 CD1 LEU A 112 5.572 5.975 -3.850 0.18 0.00 C ATOM 1761 CD2 LEU A 112 5.096 4.455 -1.922 0.31 0.00 C ATOM 0 H LEU A 112 3.794 2.263 -6.017 0.25 0.00 H new ATOM 0 HA LEU A 112 5.633 4.366 -6.136 0.21 0.00 H new ATOM 0 HB2 LEU A 112 3.876 3.984 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.798 2.629 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 112 6.695 4.242 -3.319 0.11 0.00 H new ATOM 0 HD11 LEU A 112 6.118 6.633 -3.174 0.18 0.00 H new ATOM 0 HD12 LEU A 112 6.014 6.029 -4.845 0.18 0.00 H new ATOM 0 HD13 LEU A 112 4.529 6.289 -3.898 0.18 0.00 H new ATOM 0 HD21 LEU A 112 5.649 5.133 -1.272 0.31 0.00 H new ATOM 0 HD22 LEU A 112 4.042 4.733 -1.924 0.31 0.00 H new ATOM 0 HD23 LEU A 112 5.202 3.434 -1.555 0.31 0.00 H new ATOM 1773 N LEU A 113 6.933 1.435 -5.606 0.45 0.00 N ATOM 1774 CA LEU A 113 8.182 0.695 -5.490 0.09 0.00 C ATOM 1775 C LEU A 113 9.006 0.838 -6.760 1.00 0.00 C ATOM 1776 O LEU A 113 10.218 1.044 -6.708 0.15 0.00 O ATOM 1777 CB LEU A 113 7.902 -0.785 -5.234 0.95 0.00 C ATOM 1778 CG LEU A 113 6.627 -1.083 -4.447 0.12 0.00 C ATOM 1779 CD1 LEU A 113 6.393 -2.581 -4.375 0.24 0.00 C ATOM 1780 CD2 LEU A 113 6.707 -0.486 -3.052 1.00 0.00 C ATOM 0 H LEU A 113 6.112 0.852 -5.767 0.45 0.00 H new ATOM 0 HA LEU A 113 8.742 1.107 -4.651 0.09 0.00 H new ATOM 0 HB2 LEU A 113 7.845 -1.298 -6.194 0.95 0.00 H new ATOM 0 HB3 LEU A 113 8.749 -1.210 -4.696 0.95 0.00 H new ATOM 0 HG LEU A 113 5.784 -0.624 -4.965 0.12 0.00 H new ATOM 0 HD11 LEU A 113 5.481 -2.780 -3.812 0.24 0.00 H new ATOM 0 HD12 LEU A 113 6.291 -2.982 -5.383 0.24 0.00 H new ATOM 0 HD13 LEU A 113 7.238 -3.058 -3.878 0.24 0.00 H new ATOM 0 HD21 LEU A 113 5.789 -0.709 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.557 -0.914 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.832 0.594 -3.125 1.00 0.00 H new ATOM 1792 N ASP A 114 8.334 0.730 -7.902 0.11 0.00 N ATOM 1793 CA ASP A 114 9.001 0.839 -9.193 1.00 0.00 C ATOM 1794 C ASP A 114 9.652 2.209 -9.354 0.08 0.00 C ATOM 1795 O ASP A 114 10.846 2.310 -9.641 0.40 0.00 O ATOM 1796 CB ASP A 114 8.004 0.599 -10.330 0.05 0.00 C ATOM 1797 CG ASP A 114 8.661 0.656 -11.695 0.12 0.00 C ATOM 1798 OD1 ASP A 114 9.268 -0.357 -12.104 0.17 0.00 O ATOM 1799 OD2 ASP A 114 8.569 1.712 -12.355 0.08 0.00 O ATOM 0 H ASP A 114 7.329 0.567 -7.959 0.11 0.00 H new ATOM 0 HA ASP A 114 9.780 0.078 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.533 -0.375 -10.197 0.05 0.00 H new ATOM 0 HB3 ASP A 114 7.212 1.346 -10.279 0.05 0.00 H new ATOM 1804 N GLU A 115 8.861 3.260 -9.166 0.17 0.00 N ATOM 1805 CA GLU A 115 9.356 4.626 -9.293 0.37 0.00 C ATOM 1806 C GLU A 115 8.578 5.573 -8.375 0.72 0.00 C ATOM 1807 O GLU A 115 7.409 5.864 -8.624 1.00 0.00 O ATOM 1808 CB GLU A 115 9.247 5.098 -10.746 1.00 0.00 C ATOM 1809 CG GLU A 115 7.885 4.843 -11.372 0.09 0.00 C ATOM 1810 CD GLU A 115 7.791 5.359 -12.795 1.00 0.00 C ATOM 1811 OE1 GLU A 115 7.442 6.546 -12.974 1.00 0.00 O ATOM 1812 OE2 GLU A 115 8.068 4.577 -13.729 0.18 0.00 O ATOM 0 H GLU A 115 7.872 3.192 -8.925 0.17 0.00 H new ATOM 0 HA GLU A 115 10.404 4.637 -8.994 0.37 0.00 H new ATOM 0 HB2 GLU A 115 9.462 6.166 -10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.010 4.595 -11.340 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.680 3.772 -11.363 0.09 0.00 H new ATOM 0 HG3 GLU A 115 7.115 5.320 -10.765 0.09 0.00 H new ATOM 1886 N PRO A 121 10.481 13.538 -0.158 0.09 0.00 N ATOM 1887 CA PRO A 121 10.019 12.340 0.550 0.06 0.00 C ATOM 1888 C PRO A 121 9.734 12.606 2.024 0.27 0.00 C ATOM 1889 O PRO A 121 10.074 13.665 2.553 0.47 0.00 O ATOM 1890 CB PRO A 121 11.194 11.374 0.405 1.00 0.00 C ATOM 1891 CG PRO A 121 12.390 12.251 0.282 0.07 0.00 C ATOM 1892 CD PRO A 121 11.930 13.483 -0.447 0.59 0.00 C ATOM 0 HA PRO A 121 9.080 11.964 0.143 0.06 0.00 H new ATOM 0 HB2 PRO A 121 11.274 10.714 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.078 10.737 -0.472 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.789 12.505 1.264 0.07 0.00 H new ATOM 0 HG3 PRO A 121 13.187 11.749 -0.266 0.07 0.00 H new ATOM 0 HD2 PRO A 121 12.444 14.375 -0.090 0.59 0.00 H new ATOM 0 HD3 PRO A 121 12.123 13.411 -1.517 0.59 0.00 H new ATOM 1900 N ALA A 122 9.107 11.636 2.683 0.46 0.00 N ATOM 1901 CA ALA A 122 8.777 11.759 4.098 0.11 0.00 C ATOM 1902 C ALA A 122 9.861 11.129 4.966 0.11 0.00 C ATOM 1903 O ALA A 122 10.101 11.567 6.091 0.21 0.00 O ATOM 1904 CB ALA A 122 7.429 11.115 4.383 0.47 0.00 C ATOM 0 H ALA A 122 8.817 10.755 2.258 0.46 0.00 H new ATOM 0 HA ALA A 122 8.718 12.819 4.344 0.11 0.00 H new ATOM 0 HB1 ALA A 122 7.195 11.214 5.443 0.47 0.00 H new ATOM 0 HB2 ALA A 122 6.657 11.610 3.793 0.47 0.00 H new ATOM 0 HB3 ALA A 122 7.467 10.059 4.117 0.47 0.00 H new ATOM 1910 N ASN A 123 10.513 10.099 4.434 0.07 0.00 N ATOM 1911 CA ASN A 123 11.574 9.410 5.159 1.00 0.00 C ATOM 1912 C ASN A 123 12.940 9.939 4.732 1.00 0.00 C ATOM 1913 O ASN A 123 13.588 9.376 3.848 0.15 0.00 O ATOM 1914 CB ASN A 123 11.489 7.902 4.917 0.22 0.00 C ATOM 1915 CG ASN A 123 12.363 7.108 5.870 0.39 0.00 C ATOM 1916 OD1 ASN A 123 13.407 7.582 6.316 0.09 0.00 O ATOM 1917 ND2 ASN A 123 11.936 5.891 6.188 0.23 0.00 N ATOM 0 H ASN A 123 10.325 9.724 3.504 0.07 0.00 H new ATOM 0 HA ASN A 123 11.446 9.600 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 123 10.454 7.578 5.024 0.22 0.00 H new ATOM 0 HB3 ASN A 123 11.786 7.685 3.891 0.22 0.00 H new ATOM 0 HD21 ASN A 123 12.480 5.310 6.826 0.23 0.00 H new ATOM 0 HD22 ASN A 123 11.064 5.538 5.795 0.23 0.00 H new ATOM 1924 N SER A 124 13.366 11.027 5.364 0.74 0.00 N ATOM 1925 CA SER A 124 14.648 11.646 5.053 0.37 0.00 C ATOM 1926 C SER A 124 15.810 10.694 5.319 0.37 0.00 C ATOM 1927 O SER A 124 16.843 10.762 4.655 0.07 0.00 O ATOM 1928 CB SER A 124 14.829 12.927 5.871 0.13 0.00 C ATOM 1929 OG SER A 124 16.065 13.551 5.577 0.62 0.00 O ATOM 0 H SER A 124 12.839 11.500 6.098 0.74 0.00 H new ATOM 0 HA SER A 124 14.648 11.890 3.991 0.37 0.00 H new ATOM 0 HB2 SER A 124 14.011 13.616 5.659 0.13 0.00 H new ATOM 0 HB3 SER A 124 14.781 12.693 6.934 0.13 0.00 H new ATOM 0 HG SER A 124 16.155 14.367 6.112 0.62 0.00 H new ATOM 1935 N GLN A 125 15.634 9.804 6.290 0.11 0.00 N ATOM 1936 CA GLN A 125 16.675 8.844 6.642 0.57 0.00 C ATOM 1937 C GLN A 125 16.948 7.884 5.488 1.00 0.00 C ATOM 1938 O GLN A 125 18.080 7.444 5.288 1.00 0.00 O ATOM 1939 CB GLN A 125 16.275 8.055 7.890 0.16 0.00 C ATOM 1940 CG GLN A 125 17.376 7.147 8.419 0.25 0.00 C ATOM 1941 CD GLN A 125 16.969 6.408 9.679 0.14 0.00 C ATOM 1942 OE1 GLN A 125 16.170 6.904 10.473 0.37 0.00 O ATOM 1943 NE2 GLN A 125 17.517 5.213 9.869 1.00 0.00 N ATOM 0 H GLN A 125 14.783 9.727 6.846 0.11 0.00 H new ATOM 0 HA GLN A 125 17.588 9.402 6.850 0.57 0.00 H new ATOM 0 HB2 GLN A 125 15.985 8.755 8.674 0.16 0.00 H new ATOM 0 HB3 GLN A 125 15.397 7.451 7.661 0.16 0.00 H new ATOM 0 HG2 GLN A 125 17.646 6.424 7.650 0.25 0.00 H new ATOM 0 HG3 GLN A 125 18.266 7.742 8.623 0.25 0.00 H new ATOM 0 HE21 GLN A 125 18.175 4.839 9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 125 17.280 4.669 10.699 1.00 0.00 H new ATOM 1952 N ALA A 126 15.904 7.568 4.728 0.22 0.00 N ATOM 1953 CA ALA A 126 16.026 6.654 3.598 0.10 0.00 C ATOM 1954 C ALA A 126 16.710 7.319 2.406 0.55 0.00 C ATOM 1955 O ALA A 126 17.683 6.793 1.865 1.00 0.00 O ATOM 1956 CB ALA A 126 14.656 6.132 3.196 0.07 0.00 C ATOM 0 H ALA A 126 14.963 7.932 4.875 0.22 0.00 H new ATOM 0 HA ALA A 126 16.650 5.818 3.913 0.10 0.00 H new ATOM 0 HB1 ALA A 126 14.760 5.451 2.351 0.07 0.00 H new ATOM 0 HB2 ALA A 126 14.207 5.602 4.037 0.07 0.00 H new ATOM 0 HB3 ALA A 126 14.017 6.968 2.911 0.07 0.00 H new ATOM 1962 N ALA A 127 16.195 8.475 2.000 1.00 0.00 N ATOM 1963 CA ALA A 127 16.753 9.208 0.866 0.80 0.00 C ATOM 1964 C ALA A 127 18.199 9.620 1.126 0.50 0.00 C ATOM 1965 O ALA A 127 19.021 9.645 0.208 1.00 0.00 O ATOM 1966 CB ALA A 127 15.901 10.431 0.562 1.00 0.00 C ATOM 0 H ALA A 127 15.392 8.926 2.439 1.00 0.00 H new ATOM 0 HA ALA A 127 16.746 8.545 0.001 0.80 0.00 H new ATOM 0 HB1 ALA A 127 16.326 10.969 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.886 10.116 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.879 11.085 1.434 1.00 0.00 H new ATOM 1972 N GLN A 128 18.502 9.944 2.378 0.14 0.00 N ATOM 1973 CA GLN A 128 19.848 10.363 2.758 1.00 0.00 C ATOM 1974 C GLN A 128 20.849 9.221 2.606 0.77 0.00 C ATOM 1975 O GLN A 128 21.948 9.414 2.085 0.10 0.00 O ATOM 1976 CB GLN A 128 19.851 10.868 4.202 1.00 0.00 C ATOM 1977 CG GLN A 128 21.190 11.429 4.647 0.17 0.00 C ATOM 1978 CD GLN A 128 21.152 11.969 6.063 1.00 0.00 C ATOM 1979 OE1 GLN A 128 21.407 11.244 7.024 0.73 0.00 O ATOM 1980 NE2 GLN A 128 20.832 13.251 6.198 1.00 0.00 N ATOM 0 H GLN A 128 17.834 9.925 3.148 0.14 0.00 H new ATOM 0 HA GLN A 128 20.150 11.170 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 128 19.089 11.640 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 128 19.571 10.049 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 128 21.948 10.648 4.580 0.17 0.00 H new ATOM 0 HG3 GLN A 128 21.491 12.225 3.966 0.17 0.00 H new ATOM 0 HE21 GLN A 128 20.628 13.815 5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 128 20.790 13.671 7.126 1.00 0.00 H new ATOM 1989 N LEU A 129 20.466 8.035 3.066 0.07 0.00 N ATOM 1990 CA LEU A 129 21.335 6.866 2.984 0.92 0.00 C ATOM 1991 C LEU A 129 21.453 6.362 1.549 0.17 0.00 C ATOM 1992 O LEU A 129 22.496 5.850 1.144 0.39 0.00 O ATOM 1993 CB LEU A 129 20.804 5.747 3.883 1.00 0.00 C ATOM 1994 CG LEU A 129 20.845 6.041 5.384 0.05 0.00 C ATOM 1995 CD1 LEU A 129 20.087 4.972 6.156 0.21 0.00 C ATOM 1996 CD2 LEU A 129 22.285 6.127 5.869 0.11 0.00 C ATOM 0 H LEU A 129 19.560 7.857 3.499 0.07 0.00 H new ATOM 0 HA LEU A 129 22.327 7.164 3.324 0.92 0.00 H new ATOM 0 HB2 LEU A 129 19.774 5.533 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 129 21.382 4.843 3.690 1.00 0.00 H new ATOM 0 HG LEU A 129 20.362 7.002 5.561 0.05 0.00 H new ATOM 0 HD11 LEU A 129 20.126 5.196 7.222 0.21 0.00 H new ATOM 0 HD12 LEU A 129 19.048 4.953 5.827 0.21 0.00 H new ATOM 0 HD13 LEU A 129 20.543 3.999 5.973 0.21 0.00 H new ATOM 0 HD21 LEU A 129 22.297 6.337 6.939 0.11 0.00 H new ATOM 0 HD22 LEU A 129 22.790 5.180 5.679 0.11 0.00 H new ATOM 0 HD23 LEU A 129 22.801 6.926 5.337 0.11 0.00 H new ATOM 2008 N TYR A 130 20.376 6.514 0.785 0.69 0.00 N ATOM 2009 CA TYR A 130 20.349 6.065 -0.603 0.12 0.00 C ATOM 2010 C TYR A 130 21.407 6.775 -1.445 1.00 0.00 C ATOM 2011 O TYR A 130 21.897 6.223 -2.431 0.16 0.00 O ATOM 2012 CB TYR A 130 18.961 6.301 -1.206 0.08 0.00 C ATOM 2013 CG TYR A 130 18.827 5.828 -2.636 0.48 0.00 C ATOM 2014 CD1 TYR A 130 18.525 4.503 -2.923 0.83 0.00 C ATOM 2015 CD2 TYR A 130 19.006 6.706 -3.698 0.08 0.00 C ATOM 2016 CE1 TYR A 130 18.403 4.065 -4.228 0.42 0.00 C ATOM 2017 CE2 TYR A 130 18.885 6.275 -5.007 0.16 0.00 C ATOM 2018 CZ TYR A 130 18.585 4.955 -5.266 0.16 0.00 C ATOM 2019 OH TYR A 130 18.465 4.524 -6.567 0.61 0.00 O ATOM 0 H TYR A 130 19.509 6.946 1.104 0.69 0.00 H new ATOM 0 HA TYR A 130 20.573 4.998 -0.610 0.12 0.00 H new ATOM 0 HB2 TYR A 130 18.218 5.791 -0.593 0.08 0.00 H new ATOM 0 HB3 TYR A 130 18.733 7.366 -1.163 0.08 0.00 H new ATOM 0 HD1 TYR A 130 18.383 3.803 -2.113 0.83 0.00 H new ATOM 0 HD2 TYR A 130 19.243 7.741 -3.499 0.08 0.00 H new ATOM 0 HE1 TYR A 130 18.166 3.032 -4.434 0.42 0.00 H new ATOM 0 HE2 TYR A 130 19.025 6.970 -5.822 0.16 0.00 H new ATOM 0 HH TYR A 130 18.622 5.275 -7.176 0.61 0.00 H new ATOM 2029 N GLN A 131 21.761 7.997 -1.056 0.13 0.00 N ATOM 2030 CA GLN A 131 22.755 8.770 -1.796 1.00 0.00 C ATOM 2031 C GLN A 131 24.133 8.690 -1.144 0.33 0.00 C ATOM 2032 O GLN A 131 25.152 8.668 -1.835 1.00 0.00 O ATOM 2033 CB GLN A 131 22.314 10.231 -1.908 0.94 0.00 C ATOM 2034 CG GLN A 131 22.162 10.930 -0.567 0.11 0.00 C ATOM 2035 CD GLN A 131 21.722 12.374 -0.707 0.19 0.00 C ATOM 2036 OE1 GLN A 131 21.013 12.731 -1.650 0.26 0.00 O ATOM 2037 NE2 GLN A 131 22.142 13.214 0.231 0.47 0.00 N ATOM 0 H GLN A 131 21.378 8.471 -0.238 0.13 0.00 H new ATOM 0 HA GLN A 131 22.832 8.337 -2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 131 23.041 10.775 -2.511 0.94 0.00 H new ATOM 0 HB3 GLN A 131 21.363 10.274 -2.440 0.94 0.00 H new ATOM 0 HG2 GLN A 131 21.435 10.390 0.039 0.11 0.00 H new ATOM 0 HG3 GLN A 131 23.112 10.894 -0.033 0.11 0.00 H new ATOM 0 HE21 GLN A 131 22.728 12.875 0.994 0.47 0.00 H new ATOM 0 HE22 GLN A 131 21.879 14.199 0.189 0.47 0.00 H new ATOM 2046 N GLU A 132 24.162 8.649 0.184 0.13 0.00 N ATOM 2047 CA GLU A 132 25.424 8.582 0.914 1.00 0.00 C ATOM 2048 C GLU A 132 25.955 7.155 0.981 0.25 0.00 C ATOM 2049 O GLU A 132 26.817 6.764 0.190 0.32 0.00 O ATOM 2050 CB GLU A 132 25.253 9.137 2.330 0.50 0.00 C ATOM 2051 CG GLU A 132 24.994 10.634 2.369 1.00 0.00 C ATOM 2052 CD GLU A 132 25.174 11.219 3.756 0.69 0.00 C ATOM 2053 OE1 GLU A 132 24.221 11.146 4.560 0.34 0.00 O ATOM 2054 OE2 GLU A 132 26.268 11.748 4.040 0.19 0.00 O ATOM 0 H GLU A 132 23.331 8.661 0.775 0.13 0.00 H new ATOM 0 HA GLU A 132 26.148 9.191 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.425 8.621 2.816 0.50 0.00 H new ATOM 0 HB3 GLU A 132 26.150 8.917 2.909 0.50 0.00 H new ATOM 0 HG2 GLU A 132 25.671 11.135 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 132 23.980 10.833 2.023 1.00 0.00 H new ATOM 2061 N ASN A 133 25.437 6.380 1.926 1.00 0.00 N ATOM 2062 CA ASN A 133 25.868 4.999 2.108 0.06 0.00 C ATOM 2063 C ASN A 133 24.831 4.019 1.570 0.15 0.00 C ATOM 2064 O ASN A 133 23.833 3.727 2.231 0.66 0.00 O ATOM 2065 CB ASN A 133 26.127 4.727 3.589 0.05 0.00 C ATOM 2066 CG ASN A 133 27.323 5.495 4.116 0.41 0.00 C ATOM 2067 OD1 ASN A 133 27.193 6.628 4.582 0.90 0.00 O ATOM 2068 ND2 ASN A 133 28.500 4.882 4.046 0.55 0.00 N ATOM 0 H ASN A 133 24.716 6.685 2.580 1.00 0.00 H new ATOM 0 HA ASN A 133 26.790 4.854 1.545 0.06 0.00 H new ATOM 0 HB2 ASN A 133 25.242 4.997 4.166 0.05 0.00 H new ATOM 0 HB3 ASN A 133 26.290 3.659 3.737 0.05 0.00 H new ATOM 0 HD21 ASN A 133 29.340 5.350 4.386 0.55 0.00 H new ATOM 0 HD22 ASN A 133 28.563 3.943 3.653 0.55 0.00 H new ATOM 2075 N LYS A 134 25.074 3.516 0.363 1.00 0.00 N ATOM 2076 CA LYS A 134 24.167 2.562 -0.263 0.97 0.00 C ATOM 2077 C LYS A 134 24.216 1.224 0.466 0.46 0.00 C ATOM 2078 O LYS A 134 23.263 0.445 0.425 0.18 0.00 O ATOM 2079 CB LYS A 134 24.533 2.371 -1.736 0.73 0.00 C ATOM 2080 CG LYS A 134 23.553 1.495 -2.501 0.15 0.00 C ATOM 2081 CD LYS A 134 24.016 1.254 -3.929 1.00 0.00 C ATOM 2082 CE LYS A 134 23.062 0.333 -4.674 0.50 0.00 C ATOM 2083 NZ LYS A 134 23.498 0.097 -6.077 0.05 0.00 N ATOM 0 H LYS A 134 25.891 3.754 -0.200 1.00 0.00 H new ATOM 0 HA LYS A 134 23.153 2.957 -0.200 0.97 0.00 H new ATOM 0 HB2 LYS A 134 24.586 3.347 -2.218 0.73 0.00 H new ATOM 0 HB3 LYS A 134 25.528 1.930 -1.800 0.73 0.00 H new ATOM 0 HG2 LYS A 134 23.441 0.540 -1.988 0.15 0.00 H new ATOM 0 HG3 LYS A 134 22.571 1.969 -2.511 0.15 0.00 H new ATOM 0 HD2 LYS A 134 24.090 2.206 -4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 134 25.014 0.816 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 134 22.995 -0.620 -4.150 0.50 0.00 H new ATOM 0 HE3 LYS A 134 22.063 0.768 -4.673 0.50 0.00 H new ATOM 0 HZ1 LYS A 134 22.821 -0.535 -6.549 0.05 0.00 H new ATOM 0 HZ2 LYS A 134 23.538 1.003 -6.585 0.05 0.00 H new ATOM 0 HZ3 LYS A 134 24.441 -0.342 -6.078 0.05 0.00 H new ATOM 2097 N ARG A 135 25.336 0.969 1.135 0.08 0.00 N ATOM 2098 CA ARG A 135 25.521 -0.269 1.883 0.74 0.00 C ATOM 2099 C ARG A 135 24.503 -0.374 3.013 1.00 0.00 C ATOM 2100 O ARG A 135 24.091 -1.471 3.390 1.00 0.00 O ATOM 2101 CB ARG A 135 26.941 -0.333 2.452 0.11 0.00 C ATOM 2102 CG ARG A 135 27.241 -1.612 3.217 0.27 0.00 C ATOM 2103 CD ARG A 135 27.303 -2.815 2.290 0.82 0.00 C ATOM 2104 NE ARG A 135 27.677 -4.034 3.001 0.10 0.00 N ATOM 2105 CZ ARG A 135 28.244 -5.084 2.415 1.00 0.00 C ATOM 2106 NH1 ARG A 135 28.510 -5.059 1.116 0.13 0.00 N ATOM 2107 NH2 ARG A 135 28.547 -6.160 3.127 0.12 0.00 N ATOM 0 H ARG A 135 26.132 1.606 1.174 0.08 0.00 H new ATOM 0 HA ARG A 135 25.370 -1.107 1.202 0.74 0.00 H new ATOM 0 HB2 ARG A 135 27.654 -0.235 1.634 0.11 0.00 H new ATOM 0 HB3 ARG A 135 27.095 0.519 3.114 0.11 0.00 H new ATOM 0 HG2 ARG A 135 28.190 -1.508 3.744 0.27 0.00 H new ATOM 0 HG3 ARG A 135 26.473 -1.773 3.973 0.27 0.00 H new ATOM 0 HD2 ARG A 135 26.333 -2.956 1.814 0.82 0.00 H new ATOM 0 HD3 ARG A 135 28.024 -2.623 1.495 0.82 0.00 H new ATOM 0 HE ARG A 135 27.493 -4.083 4.003 0.10 0.00 H new ATOM 0 HH11 ARG A 135 28.280 -4.233 0.564 0.13 0.00 H new ATOM 0 HH12 ARG A 135 28.945 -5.866 0.669 0.13 0.00 H new ATOM 0 HH21 ARG A 135 28.345 -6.184 4.127 0.12 0.00 H new ATOM 0 HH22 ARG A 135 28.982 -6.965 2.675 0.12 0.00 H new ATOM 2121 N GLU A 136 24.102 0.774 3.549 0.06 0.00 N ATOM 2122 CA GLU A 136 23.129 0.811 4.635 0.53 0.00 C ATOM 2123 C GLU A 136 21.718 0.604 4.099 1.00 0.00 C ATOM 2124 O GLU A 136 20.841 0.104 4.803 0.22 0.00 O ATOM 2125 CB GLU A 136 23.210 2.146 5.377 0.44 0.00 C ATOM 2126 CG GLU A 136 24.592 2.459 5.926 0.47 0.00 C ATOM 2127 CD GLU A 136 25.108 1.381 6.858 1.00 0.00 C ATOM 2128 OE1 GLU A 136 24.684 1.359 8.032 0.58 0.00 O ATOM 2129 OE2 GLU A 136 25.936 0.558 6.414 0.06 0.00 O ATOM 0 H GLU A 136 24.435 1.690 3.249 0.06 0.00 H new ATOM 0 HA GLU A 136 23.363 0.003 5.329 0.53 0.00 H new ATOM 0 HB2 GLU A 136 22.908 2.946 4.701 0.44 0.00 H new ATOM 0 HB3 GLU A 136 22.495 2.138 6.200 0.44 0.00 H new ATOM 0 HG2 GLU A 136 25.289 2.581 5.097 0.47 0.00 H new ATOM 0 HG3 GLU A 136 24.560 3.410 6.458 0.47 0.00 H new ATOM 2136 N TYR A 137 21.506 0.990 2.845 1.00 0.00 N ATOM 2137 CA TYR A 137 20.202 0.856 2.209 0.06 0.00 C ATOM 2138 C TYR A 137 19.935 -0.590 1.800 1.00 0.00 C ATOM 2139 O TYR A 137 18.847 -1.117 2.033 0.14 0.00 O ATOM 2140 CB TYR A 137 20.115 1.772 0.987 0.22 0.00 C ATOM 2141 CG TYR A 137 18.725 1.876 0.404 0.08 0.00 C ATOM 2142 CD1 TYR A 137 17.820 2.816 0.882 0.11 0.00 C ATOM 2143 CD2 TYR A 137 18.316 1.037 -0.626 1.00 0.00 C ATOM 2144 CE1 TYR A 137 16.549 2.916 0.350 0.08 0.00 C ATOM 2145 CE2 TYR A 137 17.047 1.131 -1.162 1.00 0.00 C ATOM 2146 CZ TYR A 137 16.167 2.072 -0.671 0.13 0.00 C ATOM 2147 OH TYR A 137 14.902 2.170 -1.203 0.10 0.00 O ATOM 0 H TYR A 137 22.224 1.400 2.248 1.00 0.00 H new ATOM 0 HA TYR A 137 19.441 1.150 2.932 0.06 0.00 H new ATOM 0 HB2 TYR A 137 20.458 2.768 1.266 0.22 0.00 H new ATOM 0 HB3 TYR A 137 20.795 1.404 0.219 0.22 0.00 H new ATOM 0 HD1 TYR A 137 18.115 3.479 1.682 0.11 0.00 H new ATOM 0 HD2 TYR A 137 19.003 0.299 -1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 137 15.858 3.652 0.732 0.08 0.00 H new ATOM 0 HE2 TYR A 137 16.745 0.471 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 137 14.794 1.504 -1.914 0.10 0.00 H new ATOM 2157 N GLU A 138 20.931 -1.226 1.188 0.14 0.00 N ATOM 2158 CA GLU A 138 20.796 -2.611 0.750 0.32 0.00 C ATOM 2159 C GLU A 138 20.562 -3.539 1.939 0.56 0.00 C ATOM 2160 O GLU A 138 19.849 -4.535 1.830 0.27 0.00 O ATOM 2161 CB GLU A 138 22.042 -3.049 -0.026 0.48 0.00 C ATOM 2162 CG GLU A 138 23.331 -2.931 0.769 1.00 0.00 C ATOM 2163 CD GLU A 138 24.542 -3.399 -0.016 0.27 0.00 C ATOM 2164 OE1 GLU A 138 25.101 -2.588 -0.782 0.25 0.00 O ATOM 2165 OE2 GLU A 138 24.930 -4.577 0.139 0.76 0.00 O ATOM 0 H GLU A 138 21.838 -0.805 0.985 0.14 0.00 H new ATOM 0 HA GLU A 138 19.930 -2.675 0.091 0.32 0.00 H new ATOM 0 HB2 GLU A 138 21.916 -4.084 -0.344 0.48 0.00 H new ATOM 0 HB3 GLU A 138 22.127 -2.446 -0.930 0.48 0.00 H new ATOM 0 HG2 GLU A 138 23.475 -1.893 1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 138 23.245 -3.518 1.683 1.00 0.00 H new ATOM 2172 N LYS A 139 21.170 -3.202 3.072 0.14 0.00 N ATOM 2173 CA LYS A 139 21.020 -4.000 4.285 1.00 0.00 C ATOM 2174 C LYS A 139 19.594 -3.916 4.821 1.00 0.00 C ATOM 2175 O LYS A 139 19.083 -4.870 5.407 0.06 0.00 O ATOM 2176 CB LYS A 139 22.006 -3.528 5.356 0.08 0.00 C ATOM 2177 CG LYS A 139 23.450 -3.906 5.071 0.27 0.00 C ATOM 2178 CD LYS A 139 23.695 -5.389 5.297 0.74 0.00 C ATOM 2179 CE LYS A 139 25.159 -5.746 5.104 0.17 0.00 C ATOM 2180 NZ LYS A 139 26.047 -4.949 5.997 1.00 0.00 N ATOM 0 H LYS A 139 21.770 -2.384 3.176 0.14 0.00 H new ATOM 0 HA LYS A 139 21.234 -5.039 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 139 21.936 -2.444 5.449 0.08 0.00 H new ATOM 0 HB3 LYS A 139 21.713 -3.950 6.317 0.08 0.00 H new ATOM 0 HG2 LYS A 139 23.698 -3.648 4.041 0.27 0.00 H new ATOM 0 HG3 LYS A 139 24.112 -3.325 5.713 0.27 0.00 H new ATOM 0 HD2 LYS A 139 23.383 -5.661 6.305 0.74 0.00 H new ATOM 0 HD3 LYS A 139 23.083 -5.970 4.606 0.74 0.00 H new ATOM 0 HE2 LYS A 139 25.303 -6.808 5.303 0.17 0.00 H new ATOM 0 HE3 LYS A 139 25.441 -5.575 4.065 0.17 0.00 H new ATOM 0 HZ1 LYS A 139 26.970 -5.422 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 26.180 -3.999 5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 25.612 -4.870 6.938 1.00 0.00 H new ATOM 2194 N ARG A 140 18.957 -2.766 4.614 0.06 0.00 N ATOM 2195 CA ARG A 140 17.590 -2.551 5.078 0.15 0.00 C ATOM 2196 C ARG A 140 16.580 -3.270 4.188 0.07 0.00 C ATOM 2197 O ARG A 140 15.742 -4.031 4.674 0.43 0.00 O ATOM 2198 CB ARG A 140 17.273 -1.054 5.119 0.18 0.00 C ATOM 2199 CG ARG A 140 18.024 -0.299 6.205 0.33 0.00 C ATOM 2200 CD ARG A 140 17.569 -0.717 7.594 0.08 0.00 C ATOM 2201 NE ARG A 140 18.188 0.091 8.641 1.00 0.00 N ATOM 2202 CZ ARG A 140 18.039 -0.148 9.941 0.44 0.00 C ATOM 2203 NH1 ARG A 140 17.297 -1.167 10.352 0.48 0.00 N ATOM 2204 NH2 ARG A 140 18.634 0.634 10.833 0.50 0.00 N ATOM 0 H ARG A 140 19.367 -1.968 4.128 0.06 0.00 H new ATOM 0 HA ARG A 140 17.512 -2.964 6.084 0.15 0.00 H new ATOM 0 HB2 ARG A 140 17.513 -0.614 4.151 0.18 0.00 H new ATOM 0 HB3 ARG A 140 16.202 -0.923 5.272 0.18 0.00 H new ATOM 0 HG2 ARG A 140 19.094 -0.481 6.102 0.33 0.00 H new ATOM 0 HG3 ARG A 140 17.869 0.772 6.078 0.33 0.00 H new ATOM 0 HD2 ARG A 140 16.485 -0.628 7.662 0.08 0.00 H new ATOM 0 HD3 ARG A 140 17.814 -1.767 7.755 0.08 0.00 H new ATOM 0 HE ARG A 140 18.767 0.883 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 140 16.838 -1.771 9.670 0.48 0.00 H new ATOM 0 HH12 ARG A 140 17.185 -1.347 11.350 0.48 0.00 H new ATOM 0 HH21 ARG A 140 19.206 1.419 10.522 0.50 0.00 H new ATOM 0 HH22 ARG A 140 18.519 0.450 11.830 0.50 0.00 H new ATOM 2218 N VAL A 141 16.662 -3.021 2.883 0.21 0.00 N ATOM 2219 CA VAL A 141 15.751 -3.639 1.925 0.30 0.00 C ATOM 2220 C VAL A 141 15.808 -5.162 2.005 1.00 0.00 C ATOM 2221 O VAL A 141 14.793 -5.839 1.846 1.00 0.00 O ATOM 2222 CB VAL A 141 16.065 -3.195 0.482 0.39 0.00 C ATOM 2223 CG1 VAL A 141 17.481 -3.590 0.090 0.10 0.00 C ATOM 2224 CG2 VAL A 141 15.055 -3.780 -0.494 0.58 0.00 C ATOM 0 H VAL A 141 17.351 -2.395 2.465 0.21 0.00 H new ATOM 0 HA VAL A 141 14.747 -3.306 2.188 0.30 0.00 H new ATOM 0 HB VAL A 141 15.991 -2.108 0.439 0.39 0.00 H new ATOM 0 HG11 VAL A 141 17.679 -3.266 -0.932 0.10 0.00 H new ATOM 0 HG12 VAL A 141 18.192 -3.114 0.766 0.10 0.00 H new ATOM 0 HG13 VAL A 141 17.588 -4.673 0.155 0.10 0.00 H new ATOM 0 HG21 VAL A 141 15.296 -3.454 -1.506 0.58 0.00 H new ATOM 0 HG22 VAL A 141 15.090 -4.868 -0.446 0.58 0.00 H new ATOM 0 HG23 VAL A 141 14.054 -3.438 -0.231 0.58 0.00 H new ATOM 2234 N SER A 142 16.999 -5.697 2.257 0.30 0.00 N ATOM 2235 CA SER A 142 17.181 -7.140 2.355 1.00 0.00 C ATOM 2236 C SER A 142 16.536 -7.685 3.625 0.36 0.00 C ATOM 2237 O SER A 142 16.023 -8.804 3.641 0.07 0.00 O ATOM 2238 CB SER A 142 18.669 -7.489 2.336 0.12 0.00 C ATOM 2239 OG SER A 142 18.866 -8.889 2.431 0.28 0.00 O ATOM 0 H SER A 142 17.851 -5.153 2.397 0.30 0.00 H new ATOM 0 HA SER A 142 16.695 -7.601 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 142 19.121 -7.117 1.417 0.12 0.00 H new ATOM 0 HB3 SER A 142 19.173 -6.991 3.164 0.12 0.00 H new ATOM 0 HG SER A 142 19.826 -9.086 2.415 0.28 0.00 H new ATOM 2245 N ALA A 143 16.562 -6.886 4.686 0.89 0.00 N ATOM 2246 CA ALA A 143 15.986 -7.290 5.964 0.07 0.00 C ATOM 2247 C ALA A 143 14.466 -7.387 5.882 1.00 0.00 C ATOM 2248 O ALA A 143 13.885 -8.432 6.176 0.58 0.00 O ATOM 2249 CB ALA A 143 16.394 -6.313 7.056 0.32 0.00 C ATOM 0 H ALA A 143 16.976 -5.954 4.687 0.89 0.00 H new ATOM 0 HA ALA A 143 16.372 -8.280 6.209 0.07 0.00 H new ATOM 0 HB1 ALA A 143 15.958 -6.625 8.005 0.32 0.00 H new ATOM 0 HB2 ALA A 143 17.480 -6.298 7.143 0.32 0.00 H new ATOM 0 HB3 ALA A 143 16.036 -5.315 6.803 0.32 0.00 H new ATOM 2255 N ILE A 144 13.826 -6.292 5.481 0.36 0.00 N ATOM 2256 CA ILE A 144 12.372 -6.248 5.366 0.18 0.00 C ATOM 2257 C ILE A 144 11.852 -7.332 4.424 1.00 0.00 C ATOM 2258 O ILE A 144 10.787 -7.905 4.653 0.74 0.00 O ATOM 2259 CB ILE A 144 11.892 -4.870 4.872 0.42 0.00 C ATOM 2260 CG1 ILE A 144 12.560 -4.516 3.540 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.189 -3.808 5.919 0.84 0.00 C ATOM 2262 CD1 ILE A 144 12.024 -3.248 2.907 0.06 0.00 C ATOM 0 H ILE A 144 14.293 -5.421 5.230 0.36 0.00 H new ATOM 0 HA ILE A 144 11.972 -6.428 6.364 0.18 0.00 H new ATOM 0 HB ILE A 144 10.814 -4.910 4.713 0.42 0.00 H new ATOM 0 HG12 ILE A 144 13.633 -4.406 3.700 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.424 -5.344 2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 144 11.846 -2.838 5.560 0.84 0.00 H new ATOM 0 HG22 ILE A 144 11.672 -4.056 6.846 0.84 0.00 H new ATOM 0 HG23 ILE A 144 13.263 -3.768 6.102 0.84 0.00 H new ATOM 0 HD11 ILE A 144 12.545 -3.062 1.968 0.06 0.00 H new ATOM 0 HD12 ILE A 144 10.957 -3.360 2.714 0.06 0.00 H new ATOM 0 HD13 ILE A 144 12.184 -2.408 3.583 0.06 0.00 H new ATOM 2274 N VAL A 145 12.609 -7.609 3.367 0.39 0.00 N ATOM 2275 CA VAL A 145 12.222 -8.626 2.395 0.21 0.00 C ATOM 2276 C VAL A 145 12.270 -10.025 3.010 0.15 0.00 C ATOM 2277 O VAL A 145 11.391 -10.849 2.763 0.31 0.00 O ATOM 2278 CB VAL A 145 13.125 -8.576 1.142 0.27 0.00 C ATOM 2279 CG1 VAL A 145 13.017 -9.862 0.334 1.00 0.00 C ATOM 2280 CG2 VAL A 145 12.770 -7.374 0.280 0.50 0.00 C ATOM 0 H VAL A 145 13.493 -7.144 3.162 0.39 0.00 H new ATOM 0 HA VAL A 145 11.197 -8.410 2.095 0.21 0.00 H new ATOM 0 HB VAL A 145 14.158 -8.475 1.475 0.27 0.00 H new ATOM 0 HG11 VAL A 145 13.663 -9.797 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 145 13.325 -10.706 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 145 11.985 -10.005 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 145 13.415 -7.353 -0.598 0.50 0.00 H new ATOM 0 HG22 VAL A 145 11.729 -7.447 -0.036 0.50 0.00 H new ATOM 0 HG23 VAL A 145 12.911 -6.459 0.856 0.50 0.00 H new ATOM 2290 N GLU A 146 13.299 -10.283 3.814 0.15 0.00 N ATOM 2291 CA GLU A 146 13.456 -11.584 4.461 0.59 0.00 C ATOM 2292 C GLU A 146 12.366 -11.819 5.504 0.13 0.00 C ATOM 2293 O GLU A 146 11.896 -12.944 5.678 1.00 0.00 O ATOM 2294 CB GLU A 146 14.834 -11.693 5.115 0.44 0.00 C ATOM 2295 CG GLU A 146 15.972 -11.835 4.118 0.48 0.00 C ATOM 2296 CD GLU A 146 17.330 -11.901 4.789 1.00 0.00 C ATOM 2297 OE1 GLU A 146 17.940 -10.833 5.000 1.00 0.00 O ATOM 2298 OE2 GLU A 146 17.782 -13.021 5.106 0.39 0.00 O ATOM 0 H GLU A 146 14.034 -9.611 4.033 0.15 0.00 H new ATOM 0 HA GLU A 146 13.364 -12.350 3.691 0.59 0.00 H new ATOM 0 HB2 GLU A 146 15.007 -10.808 5.727 0.44 0.00 H new ATOM 0 HB3 GLU A 146 14.841 -12.552 5.786 0.44 0.00 H new ATOM 0 HG2 GLU A 146 15.820 -12.737 3.525 0.48 0.00 H new ATOM 0 HG3 GLU A 146 15.953 -10.992 3.428 0.48 0.00 H new ATOM 2305 N GLN A 147 11.971 -10.756 6.198 0.35 0.00 N ATOM 2306 CA GLN A 147 10.939 -10.855 7.227 0.47 0.00 C ATOM 2307 C GLN A 147 9.617 -11.334 6.632 0.69 0.00 C ATOM 2308 O GLN A 147 8.880 -12.092 7.263 0.37 0.00 O ATOM 2309 CB GLN A 147 10.737 -9.504 7.915 0.36 0.00 C ATOM 2310 CG GLN A 147 11.948 -9.031 8.703 0.37 0.00 C ATOM 2311 CD GLN A 147 12.304 -9.966 9.844 0.86 0.00 C ATOM 2312 OE1 GLN A 147 13.096 -10.892 9.680 0.15 0.00 O ATOM 2313 NE2 GLN A 147 11.717 -9.726 11.011 0.09 0.00 N ATOM 0 H GLN A 147 12.348 -9.817 6.068 0.35 0.00 H new ATOM 0 HA GLN A 147 11.273 -11.585 7.965 0.47 0.00 H new ATOM 0 HB2 GLN A 147 10.490 -8.756 7.161 0.36 0.00 H new ATOM 0 HB3 GLN A 147 9.882 -9.573 8.587 0.36 0.00 H new ATOM 0 HG2 GLN A 147 12.802 -8.942 8.031 0.37 0.00 H new ATOM 0 HG3 GLN A 147 11.751 -8.036 9.102 0.37 0.00 H new ATOM 0 HE21 GLN A 147 11.066 -8.946 11.104 0.09 0.00 H new ATOM 0 HE22 GLN A 147 11.918 -10.321 11.815 0.09 0.00 H new ATOM 2322 N SER A 148 9.325 -10.888 5.416 0.93 0.00 N ATOM 2323 CA SER A 148 8.092 -11.268 4.737 0.83 0.00 C ATOM 2324 C SER A 148 8.365 -12.309 3.655 0.05 0.00 C ATOM 2325 O SER A 148 7.508 -12.586 2.815 0.99 0.00 O ATOM 2326 CB SER A 148 7.427 -10.037 4.119 1.00 0.00 C ATOM 2327 OG SER A 148 6.183 -10.371 3.526 0.08 0.00 O ATOM 0 H SER A 148 9.926 -10.262 4.879 0.93 0.00 H new ATOM 0 HA SER A 148 7.419 -11.705 5.475 0.83 0.00 H new ATOM 0 HB2 SER A 148 7.275 -9.278 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 148 8.086 -9.603 3.368 1.00 0.00 H new ATOM 0 HG SER A 148 6.248 -11.253 3.105 0.08 0.00 H new ATOM 2333 N TRP A 149 9.563 -12.883 3.683 1.00 0.00 N ATOM 2334 CA TRP A 149 9.950 -13.893 2.703 0.46 0.00 C ATOM 2335 C TRP A 149 9.416 -15.265 3.101 0.24 0.00 C ATOM 2336 O TRP A 149 9.667 -16.261 2.421 0.49 0.00 O ATOM 2337 CB TRP A 149 11.472 -13.945 2.568 0.33 0.00 C ATOM 2338 CG TRP A 149 11.934 -14.291 1.186 0.09 0.00 C ATOM 2339 CD1 TRP A 149 11.905 -13.484 0.086 0.31 0.00 C ATOM 2340 CD2 TRP A 149 12.501 -15.535 0.756 1.00 0.00 C ATOM 2341 NE1 TRP A 149 12.415 -14.148 -1.003 0.61 0.00 N ATOM 2342 CE2 TRP A 149 12.787 -15.409 -0.617 1.00 0.00 C ATOM 2343 CE3 TRP A 149 12.792 -16.742 1.397 0.08 0.00 C ATOM 2344 CZ2 TRP A 149 13.351 -16.444 -1.357 1.00 0.00 C ATOM 2345 CZ3 TRP A 149 13.352 -17.769 0.661 0.05 0.00 C ATOM 2346 CH2 TRP A 149 13.626 -17.614 -0.704 0.06 0.00 C ATOM 0 H TRP A 149 10.283 -12.667 4.373 1.00 0.00 H new ATOM 0 HA TRP A 149 9.517 -13.618 1.741 0.46 0.00 H new ATOM 0 HB2 TRP A 149 11.888 -12.978 2.851 0.33 0.00 H new ATOM 0 HB3 TRP A 149 11.867 -14.679 3.270 0.33 0.00 H new ATOM 0 HD1 TRP A 149 11.535 -12.470 0.073 0.31 0.00 H new ATOM 0 HE1 TRP A 149 12.502 -13.765 -1.944 0.61 0.00 H new ATOM 0 HE3 TRP A 149 12.583 -16.870 2.449 0.08 0.00 H new ATOM 0 HZ2 TRP A 149 13.564 -16.328 -2.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 13.582 -18.706 1.146 0.05 0.00 H new ATOM 0 HH2 TRP A 149 14.063 -18.435 -1.252 0.06 0.00 H new