USER MOD reduce.3.24.130724 H: found=0, std=0, add=1384, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1382 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 151 SER OG : rot 143:sc= 0.325 USER MOD Set 1.2: A 154 THR OG1 : rot -146:sc= 1.66 USER MOD Set 2.1: A 107 ASN : amide:sc= -0.627 K(o=1.6,f=-3.5!) USER MOD Set 2.2: A 175 LYS NZ :NH3+ 150:sc= 2.21 (180deg=0.847!) USER MOD Set 3.1: A 19 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-6.2!) USER MOD Set 3.2: A 96 THR OG1 : rot -92:sc= 0.0402 USER MOD Set 4.1: A 53 ASN :FLIP amide:sc= 0 F(o=-0.97,f=-0.0015) USER MOD Set 4.2: A 56 LYS NZ :NH3+ 172:sc=-0.00149 (180deg=-0.0647) USER MOD Set 5.1: A 49 GLN : amide:sc= -0.712 K(o=0.18,f=-1!) USER MOD Set 5.2: A 55 LYS NZ :NH3+ 141:sc= 0.887 (180deg=1.05) USER MOD Set 5.3: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 31 SER OG : rot 180:sc= -0.186 USER MOD Set 6.2: A 155 LYS NZ :NH3+ 147:sc= 0.371 (180deg=-0.617) USER MOD Set 7.1: A 16 HIS : no HD1:sc= -2.38 K(o=-3,f=-5.8!) USER MOD Set 7.2: A 93 MET CE :methyl 156:sc= -0.599 (180deg=-1.86!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 169:sc= 2.26 (180deg=1.45) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 132:sc= -0.075 (180deg=-0.491) USER MOD Single : A 34 THR OG1 : rot 60:sc= -1.24 USER MOD Single : A 36 GLN : amide:sc= -0.0992 K(o=-0.099,f=-3.2!) USER MOD Single : A 42 THR OG1 : rot 24:sc= 0.335 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.102 F(o=-1.3!,f=-0.1) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 128:sc= 0.499 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 42:sc= 0.468 USER MOD Single : A 65 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=0) USER MOD Single : A 69 THR OG1 : rot -1:sc= 0.965 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -174:sc= 0 (180deg=-0.0198) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.61! C(o=-6.7!,f=-1.6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 95 GLN : amide:sc= -0.974 K(o=-0.97,f=-8.4!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0.339 K(o=0.34,f=-2.7!) USER MOD Single : A 104 LYS NZ :NH3+ -117:sc= 0.768 (180deg=0.0146) USER MOD Single : A 115 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.8!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -111:sc= -3.72! (180deg=-7.48!) USER MOD Single : A 119 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0.959) USER MOD Single : A 123 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.88) USER MOD Single : A 128 MET CE :methyl -120:sc= -2.35! (180deg=-4.63!) USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 132 MET CE :methyl 160:sc= -2.85! (180deg=-4.64!) USER MOD Single : A 134 TYR OH : rot 165:sc= -1.06 USER MOD Single : A 135 ASN : amide:sc= -0.0903 K(o=-0.09,f=-1.5!) USER MOD Single : A 145 THR OG1 : rot -50:sc= -2.6! USER MOD Single : A 148 CYS SG : rot -90:sc= -0.0215 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0535) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl 138:sc= -1.73 (180deg=-4.52!) USER MOD Single : A 169 SER OG : rot 89:sc= 1.17 USER MOD Single : A 171 MET CE :methyl -121:sc= -0.0785 (180deg=-2.77!) USER MOD Single : A 177 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.678 3.664 -15.226 1.00 16.35 N ATOM 2 CA GLY A 1 -36.324 4.535 -16.372 1.00 15.80 C ATOM 3 C GLY A 1 -34.837 4.786 -16.456 1.00 15.04 C ATOM 4 O GLY A 1 -34.216 5.230 -15.487 1.00 14.90 O ATOM 0 H1 GLY A 1 -37.707 3.518 -15.206 1.00 16.35 H new ATOM 0 H2 GLY A 1 -36.200 2.746 -15.327 1.00 16.35 H new ATOM 0 H3 GLY A 1 -36.375 4.116 -14.340 1.00 16.35 H new ATOM 0 HA2 GLY A 1 -36.666 4.072 -17.298 1.00 15.80 H new ATOM 0 HA3 GLY A 1 -36.847 5.487 -16.279 1.00 15.80 H new ATOM 10 N SER A 2 -34.260 4.516 -17.613 1.00 14.69 N ATOM 11 CA SER A 2 -32.837 4.694 -17.813 1.00 14.11 C ATOM 12 C SER A 2 -32.539 6.120 -18.260 1.00 13.37 C ATOM 13 O SER A 2 -32.774 6.485 -19.412 1.00 13.12 O ATOM 14 CB SER A 2 -32.322 3.686 -18.845 1.00 14.38 C ATOM 15 OG SER A 2 -30.907 3.709 -18.932 1.00 14.60 O ATOM 0 H SER A 2 -34.760 4.171 -18.432 1.00 14.69 H new ATOM 0 HA SER A 2 -32.323 4.518 -16.868 1.00 14.11 H new ATOM 0 HB2 SER A 2 -32.655 2.684 -18.574 1.00 14.38 H new ATOM 0 HB3 SER A 2 -32.751 3.911 -19.821 1.00 14.38 H new ATOM 0 HG SER A 2 -30.609 3.054 -19.598 1.00 14.60 H new ATOM 21 N HIS A 3 -32.051 6.933 -17.333 1.00 13.19 N ATOM 22 CA HIS A 3 -31.635 8.297 -17.646 1.00 12.67 C ATOM 23 C HIS A 3 -30.271 8.575 -17.029 1.00 11.99 C ATOM 24 O HIS A 3 -29.830 9.720 -16.949 1.00 12.05 O ATOM 25 CB HIS A 3 -32.650 9.323 -17.130 1.00 13.18 C ATOM 26 CG HIS A 3 -33.972 9.288 -17.831 1.00 13.68 C ATOM 27 ND1 HIS A 3 -34.247 10.030 -18.958 1.00 14.14 N ATOM 28 CD2 HIS A 3 -35.105 8.604 -17.553 1.00 13.99 C ATOM 29 CE1 HIS A 3 -35.489 9.806 -19.339 1.00 14.68 C ATOM 30 NE2 HIS A 3 -36.034 8.945 -18.503 1.00 14.60 N ATOM 0 H HIS A 3 -31.932 6.672 -16.354 1.00 13.19 H new ATOM 0 HA HIS A 3 -31.577 8.390 -18.730 1.00 12.67 H new ATOM 0 HB2 HIS A 3 -32.812 9.153 -16.066 1.00 13.18 H new ATOM 0 HB3 HIS A 3 -32.224 10.321 -17.232 1.00 13.18 H new ATOM 0 HD2 HIS A 3 -35.252 7.916 -16.734 1.00 13.99 H new ATOM 0 HE1 HIS A 3 -35.978 10.253 -20.192 1.00 14.68 H new ATOM 0 HE2 HIS A 3 -36.989 8.591 -18.554 1.00 14.60 H new ATOM 39 N MET A 4 -29.616 7.515 -16.592 1.00 11.52 N ATOM 40 CA MET A 4 -28.324 7.625 -15.940 1.00 11.00 C ATOM 41 C MET A 4 -27.280 6.808 -16.695 1.00 10.19 C ATOM 42 O MET A 4 -27.521 5.655 -17.063 1.00 10.08 O ATOM 43 CB MET A 4 -28.415 7.166 -14.474 1.00 11.26 C ATOM 44 CG MET A 4 -28.841 5.711 -14.286 1.00 11.60 C ATOM 45 SD MET A 4 -30.556 5.399 -14.761 1.00 12.31 S ATOM 46 CE MET A 4 -30.687 3.646 -14.406 1.00 12.73 C ATOM 0 H MET A 4 -29.962 6.559 -16.678 1.00 11.52 H new ATOM 0 HA MET A 4 -28.019 8.671 -15.950 1.00 11.00 H new ATOM 0 HB2 MET A 4 -27.443 7.310 -14.001 1.00 11.26 H new ATOM 0 HB3 MET A 4 -29.123 7.808 -13.950 1.00 11.26 H new ATOM 0 HG2 MET A 4 -28.186 5.069 -14.875 1.00 11.60 H new ATOM 0 HG3 MET A 4 -28.705 5.432 -13.241 1.00 11.60 H new ATOM 0 HE1 MET A 4 -31.692 3.300 -14.647 1.00 12.73 H new ATOM 0 HE2 MET A 4 -29.961 3.098 -15.006 1.00 12.73 H new ATOM 0 HE3 MET A 4 -30.488 3.473 -13.348 1.00 12.73 H new ATOM 56 N VAL A 5 -26.133 7.419 -16.947 1.00 9.82 N ATOM 57 CA VAL A 5 -25.052 6.752 -17.654 1.00 9.21 C ATOM 58 C VAL A 5 -23.769 6.804 -16.836 1.00 8.39 C ATOM 59 O VAL A 5 -23.102 5.787 -16.641 1.00 8.39 O ATOM 60 CB VAL A 5 -24.795 7.389 -19.040 1.00 9.62 C ATOM 61 CG1 VAL A 5 -23.706 6.632 -19.785 1.00 10.18 C ATOM 62 CG2 VAL A 5 -26.075 7.427 -19.863 1.00 10.12 C ATOM 0 H VAL A 5 -25.927 8.379 -16.671 1.00 9.82 H new ATOM 0 HA VAL A 5 -25.356 5.715 -17.800 1.00 9.21 H new ATOM 0 HB VAL A 5 -24.458 8.414 -18.884 1.00 9.62 H new ATOM 0 HG11 VAL A 5 -23.540 7.096 -20.757 1.00 10.18 H new ATOM 0 HG12 VAL A 5 -22.782 6.661 -19.207 1.00 10.18 H new ATOM 0 HG13 VAL A 5 -24.014 5.596 -19.925 1.00 10.18 H new ATOM 0 HG21 VAL A 5 -25.870 7.879 -20.834 1.00 10.12 H new ATOM 0 HG22 VAL A 5 -26.446 6.412 -20.006 1.00 10.12 H new ATOM 0 HG23 VAL A 5 -26.827 8.017 -19.339 1.00 10.12 H new ATOM 72 N GLU A 6 -23.440 7.992 -16.343 1.00 7.91 N ATOM 73 CA GLU A 6 -22.207 8.202 -15.597 1.00 7.32 C ATOM 74 C GLU A 6 -22.306 7.574 -14.209 1.00 6.47 C ATOM 75 O GLU A 6 -23.078 8.032 -13.365 1.00 6.49 O ATOM 76 CB GLU A 6 -21.921 9.700 -15.452 1.00 7.80 C ATOM 77 CG GLU A 6 -22.004 10.488 -16.753 1.00 8.31 C ATOM 78 CD GLU A 6 -21.033 10.007 -17.811 1.00 8.82 C ATOM 79 OE1 GLU A 6 -19.808 10.058 -17.571 1.00 9.14 O ATOM 80 OE2 GLU A 6 -21.488 9.591 -18.896 1.00 9.12 O ATOM 0 H GLU A 6 -24.014 8.828 -16.448 1.00 7.91 H new ATOM 0 HA GLU A 6 -21.394 7.729 -16.148 1.00 7.32 H new ATOM 0 HB2 GLU A 6 -22.628 10.125 -14.739 1.00 7.80 H new ATOM 0 HB3 GLU A 6 -20.925 9.827 -15.028 1.00 7.80 H new ATOM 0 HG2 GLU A 6 -23.019 10.422 -17.145 1.00 8.31 H new ATOM 0 HG3 GLU A 6 -21.811 11.540 -16.545 1.00 8.31 H new ATOM 87 N ARG A 7 -21.536 6.522 -13.979 1.00 5.97 N ATOM 88 CA ARG A 7 -21.499 5.887 -12.672 1.00 5.27 C ATOM 89 C ARG A 7 -20.154 6.143 -12.003 1.00 4.71 C ATOM 90 O ARG A 7 -19.108 5.758 -12.530 1.00 4.95 O ATOM 91 CB ARG A 7 -21.752 4.378 -12.785 1.00 5.61 C ATOM 92 CG ARG A 7 -21.739 3.664 -11.439 1.00 5.93 C ATOM 93 CD ARG A 7 -22.926 4.071 -10.577 1.00 6.48 C ATOM 94 NE ARG A 7 -22.688 3.809 -9.156 1.00 6.96 N ATOM 95 CZ ARG A 7 -23.518 3.123 -8.368 1.00 7.68 C ATOM 96 NH1 ARG A 7 -24.621 2.571 -8.862 1.00 7.98 N ATOM 97 NH2 ARG A 7 -23.243 2.994 -7.076 1.00 8.35 N ATOM 0 H ARG A 7 -20.930 6.091 -14.678 1.00 5.97 H new ATOM 0 HA ARG A 7 -22.291 6.320 -12.061 1.00 5.27 H new ATOM 0 HB2 ARG A 7 -22.716 4.213 -13.267 1.00 5.61 H new ATOM 0 HB3 ARG A 7 -20.993 3.936 -13.430 1.00 5.61 H new ATOM 0 HG2 ARG A 7 -21.757 2.586 -11.598 1.00 5.93 H new ATOM 0 HG3 ARG A 7 -20.812 3.893 -10.914 1.00 5.93 H new ATOM 0 HD2 ARG A 7 -23.131 5.132 -10.721 1.00 6.48 H new ATOM 0 HD3 ARG A 7 -23.813 3.528 -10.902 1.00 6.48 H new ATOM 0 HE ARG A 7 -21.831 4.175 -8.741 1.00 6.96 H new ATOM 0 HH11 ARG A 7 -24.841 2.669 -9.853 1.00 7.98 H new ATOM 0 HH12 ARG A 7 -25.248 2.049 -8.250 1.00 7.98 H new ATOM 0 HH21 ARG A 7 -22.400 3.418 -6.689 1.00 8.35 H new ATOM 0 HH22 ARG A 7 -23.875 2.470 -6.470 1.00 8.35 H new ATOM 111 N PRO A 8 -20.169 6.821 -10.843 1.00 4.27 N ATOM 112 CA PRO A 8 -18.958 7.096 -10.063 1.00 3.88 C ATOM 113 C PRO A 8 -18.169 5.823 -9.758 1.00 3.07 C ATOM 114 O PRO A 8 -18.726 4.839 -9.265 1.00 2.74 O ATOM 115 CB PRO A 8 -19.489 7.724 -8.765 1.00 4.13 C ATOM 116 CG PRO A 8 -20.957 7.457 -8.760 1.00 4.60 C ATOM 117 CD PRO A 8 -21.365 7.384 -10.201 1.00 4.51 C ATOM 0 HA PRO A 8 -18.266 7.742 -10.604 1.00 3.88 H new ATOM 0 HB2 PRO A 8 -19.008 7.284 -7.892 1.00 4.13 H new ATOM 0 HB3 PRO A 8 -19.285 8.794 -8.736 1.00 4.13 H new ATOM 0 HG2 PRO A 8 -21.183 6.525 -8.242 1.00 4.60 H new ATOM 0 HG3 PRO A 8 -21.497 8.249 -8.241 1.00 4.60 H new ATOM 0 HD2 PRO A 8 -22.239 6.748 -10.343 1.00 4.51 H new ATOM 0 HD3 PRO A 8 -21.616 8.366 -10.602 1.00 4.51 H new ATOM 125 N PRO A 9 -16.868 5.816 -10.085 1.00 3.13 N ATOM 126 CA PRO A 9 -15.985 4.671 -9.834 1.00 2.76 C ATOM 127 C PRO A 9 -15.881 4.322 -8.356 1.00 1.86 C ATOM 128 O PRO A 9 -15.448 5.136 -7.534 1.00 2.21 O ATOM 129 CB PRO A 9 -14.624 5.133 -10.368 1.00 3.66 C ATOM 130 CG PRO A 9 -14.939 6.242 -11.310 1.00 4.29 C ATOM 131 CD PRO A 9 -16.154 6.920 -10.747 1.00 4.00 C ATOM 0 HA PRO A 9 -16.361 3.767 -10.313 1.00 2.76 H new ATOM 0 HB2 PRO A 9 -13.977 5.473 -9.559 1.00 3.66 H new ATOM 0 HB3 PRO A 9 -14.102 4.321 -10.874 1.00 3.66 H new ATOM 0 HG2 PRO A 9 -14.104 6.938 -11.389 1.00 4.29 H new ATOM 0 HG3 PRO A 9 -15.133 5.861 -12.313 1.00 4.29 H new ATOM 0 HD2 PRO A 9 -15.887 7.708 -10.043 1.00 4.00 H new ATOM 0 HD3 PRO A 9 -16.758 7.381 -11.528 1.00 4.00 H new ATOM 139 N VAL A 10 -16.301 3.113 -8.017 1.00 1.31 N ATOM 140 CA VAL A 10 -16.181 2.627 -6.656 1.00 1.04 C ATOM 141 C VAL A 10 -14.749 2.163 -6.393 1.00 0.88 C ATOM 142 O VAL A 10 -14.184 1.363 -7.141 1.00 1.10 O ATOM 143 CB VAL A 10 -17.189 1.488 -6.361 1.00 1.75 C ATOM 144 CG1 VAL A 10 -17.047 0.351 -7.361 1.00 2.58 C ATOM 145 CG2 VAL A 10 -17.025 0.975 -4.937 1.00 2.47 C ATOM 0 H VAL A 10 -16.727 2.453 -8.667 1.00 1.31 H new ATOM 0 HA VAL A 10 -16.419 3.450 -5.982 1.00 1.04 H new ATOM 0 HB VAL A 10 -18.193 1.900 -6.464 1.00 1.75 H new ATOM 0 HG11 VAL A 10 -17.768 -0.432 -7.126 1.00 2.58 H new ATOM 0 HG12 VAL A 10 -17.233 0.726 -8.367 1.00 2.58 H new ATOM 0 HG13 VAL A 10 -16.038 -0.057 -7.307 1.00 2.58 H new ATOM 0 HG21 VAL A 10 -17.743 0.176 -4.753 1.00 2.47 H new ATOM 0 HG22 VAL A 10 -16.013 0.592 -4.803 1.00 2.47 H new ATOM 0 HG23 VAL A 10 -17.201 1.790 -4.234 1.00 2.47 H new ATOM 155 N VAL A 11 -14.156 2.711 -5.351 1.00 0.67 N ATOM 156 CA VAL A 11 -12.804 2.402 -4.991 1.00 0.60 C ATOM 157 C VAL A 11 -12.782 1.532 -3.733 1.00 0.56 C ATOM 158 O VAL A 11 -13.191 1.963 -2.651 1.00 0.74 O ATOM 159 CB VAL A 11 -12.023 3.707 -4.764 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.616 3.409 -4.334 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.032 4.563 -6.022 1.00 0.98 C ATOM 0 H VAL A 11 -14.608 3.385 -4.733 1.00 0.67 H new ATOM 0 HA VAL A 11 -12.330 1.845 -5.799 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.513 4.268 -3.968 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.078 4.344 -4.178 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.632 2.840 -3.404 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.115 2.827 -5.107 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.474 5.482 -5.841 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.568 4.012 -6.840 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.060 4.809 -6.287 1.00 0.98 H new ATOM 171 N THR A 12 -12.313 0.305 -3.885 1.00 0.46 N ATOM 172 CA THR A 12 -12.304 -0.653 -2.793 1.00 0.45 C ATOM 173 C THR A 12 -10.969 -0.619 -2.056 1.00 0.39 C ATOM 174 O THR A 12 -9.906 -0.723 -2.673 1.00 0.43 O ATOM 175 CB THR A 12 -12.568 -2.079 -3.319 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.765 -2.088 -4.107 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.709 -3.072 -2.173 1.00 0.62 C ATOM 0 H THR A 12 -11.931 -0.053 -4.761 1.00 0.46 H new ATOM 0 HA THR A 12 -13.098 -0.377 -2.099 1.00 0.45 H new ATOM 0 HB THR A 12 -11.717 -2.378 -3.931 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.930 -2.994 -4.441 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.894 -4.068 -2.575 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.791 -3.083 -1.586 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.543 -2.777 -1.536 1.00 0.62 H new ATOM 185 N ILE A 13 -11.025 -0.462 -0.737 1.00 0.39 N ATOM 186 CA ILE A 13 -9.818 -0.377 0.070 1.00 0.38 C ATOM 187 C ILE A 13 -9.287 -1.764 0.413 1.00 0.37 C ATOM 188 O ILE A 13 -9.976 -2.572 1.044 1.00 0.51 O ATOM 189 CB ILE A 13 -10.042 0.412 1.375 1.00 0.50 C ATOM 190 CG1 ILE A 13 -10.597 1.803 1.066 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.740 0.519 2.161 1.00 0.80 C ATOM 192 CD1 ILE A 13 -10.709 2.701 2.276 1.00 1.03 C ATOM 0 H ILE A 13 -11.894 -0.391 -0.207 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.085 0.157 -0.535 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.770 -0.123 1.985 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.955 2.284 0.327 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -11.582 1.698 0.612 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.915 1.079 3.080 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.381 -0.480 2.408 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.993 1.035 1.558 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -11.110 3.669 1.975 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -11.375 2.244 3.008 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.723 2.839 2.719 1.00 1.03 H new ATOM 204 N MET A 14 -8.056 -2.019 0.013 1.00 0.31 N ATOM 205 CA MET A 14 -7.395 -3.291 0.282 1.00 0.35 C ATOM 206 C MET A 14 -6.201 -3.048 1.190 1.00 0.29 C ATOM 207 O MET A 14 -5.926 -1.904 1.550 1.00 0.46 O ATOM 208 CB MET A 14 -6.941 -3.954 -1.021 1.00 0.56 C ATOM 209 CG MET A 14 -8.078 -4.408 -1.926 1.00 0.75 C ATOM 210 SD MET A 14 -9.091 -5.706 -1.188 1.00 1.04 S ATOM 211 CE MET A 14 -10.078 -6.209 -2.599 1.00 0.77 C ATOM 0 H MET A 14 -7.483 -1.354 -0.507 1.00 0.31 H new ATOM 0 HA MET A 14 -8.100 -3.962 0.773 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.313 -3.253 -1.571 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.320 -4.816 -0.778 1.00 0.56 H new ATOM 0 HG2 MET A 14 -8.710 -3.552 -2.163 1.00 0.75 H new ATOM 0 HG3 MET A 14 -7.664 -4.769 -2.867 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.757 -7.008 -2.302 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.655 -5.358 -2.961 1.00 0.77 H new ATOM 0 HE3 MET A 14 -9.422 -6.566 -3.393 1.00 0.77 H new ATOM 221 N GLY A 15 -5.485 -4.103 1.561 1.00 0.34 N ATOM 222 CA GLY A 15 -4.369 -3.933 2.444 1.00 0.45 C ATOM 223 C GLY A 15 -4.606 -4.611 3.765 1.00 0.62 C ATOM 224 O GLY A 15 -5.683 -4.477 4.349 1.00 1.55 O ATOM 0 H GLY A 15 -5.663 -5.062 1.264 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.471 -4.341 1.980 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.190 -2.870 2.606 1.00 0.45 H new ATOM 228 N HIS A 16 -3.627 -5.383 4.194 1.00 0.51 N ATOM 229 CA HIS A 16 -3.636 -5.987 5.528 1.00 0.45 C ATOM 230 C HIS A 16 -4.058 -4.953 6.573 1.00 0.49 C ATOM 231 O HIS A 16 -3.563 -3.827 6.595 1.00 0.64 O ATOM 232 CB HIS A 16 -2.250 -6.560 5.867 1.00 0.43 C ATOM 233 CG HIS A 16 -2.156 -7.163 7.241 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.778 -8.345 7.551 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.521 -6.701 8.344 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.517 -8.573 8.826 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.757 -7.602 9.350 1.00 0.59 N ATOM 0 H HIS A 16 -2.804 -5.613 3.638 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.357 -6.804 5.536 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -1.992 -7.320 5.130 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.509 -5.766 5.779 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -0.939 -5.794 8.417 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.871 -9.433 9.376 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.420 -7.544 10.311 1.00 0.59 H new ATOM 245 N VAL A 17 -4.987 -5.362 7.431 1.00 0.53 N ATOM 246 CA VAL A 17 -5.667 -4.457 8.358 1.00 0.67 C ATOM 247 C VAL A 17 -4.712 -3.682 9.266 1.00 0.64 C ATOM 248 O VAL A 17 -5.015 -2.557 9.664 1.00 0.78 O ATOM 249 CB VAL A 17 -6.689 -5.214 9.233 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.818 -5.770 8.379 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.015 -6.330 10.021 1.00 1.62 C ATOM 0 H VAL A 17 -5.292 -6.332 7.505 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.181 -3.734 7.725 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.111 -4.505 9.945 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.528 -6.300 9.014 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.327 -4.951 7.871 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.409 -6.458 7.639 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -6.758 -6.846 10.629 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -5.556 -7.037 9.330 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -5.248 -5.906 10.669 1.00 1.62 H new ATOM 261 N ASP A 18 -3.565 -4.273 9.587 1.00 0.57 N ATOM 262 CA ASP A 18 -2.625 -3.651 10.516 1.00 0.61 C ATOM 263 C ASP A 18 -1.712 -2.660 9.800 1.00 0.56 C ATOM 264 O ASP A 18 -1.071 -1.822 10.437 1.00 0.69 O ATOM 265 CB ASP A 18 -1.793 -4.718 11.232 1.00 0.69 C ATOM 266 CG ASP A 18 -0.918 -4.143 12.329 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.457 -3.497 13.251 1.00 1.17 O ATOM 268 OD2 ASP A 18 0.314 -4.327 12.270 1.00 1.78 O ATOM 0 H ASP A 18 -3.264 -5.176 9.221 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.204 -3.101 11.257 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -2.461 -5.466 11.660 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -1.165 -5.231 10.504 1.00 0.69 H new ATOM 273 N HIS A 19 -1.663 -2.740 8.475 1.00 0.46 N ATOM 274 CA HIS A 19 -0.869 -1.806 7.695 1.00 0.48 C ATOM 275 C HIS A 19 -1.467 -0.409 7.796 1.00 0.58 C ATOM 276 O HIS A 19 -0.748 0.579 7.979 1.00 0.65 O ATOM 277 CB HIS A 19 -0.783 -2.247 6.233 1.00 0.46 C ATOM 278 CG HIS A 19 0.229 -3.326 5.984 1.00 0.40 C ATOM 279 ND1 HIS A 19 0.155 -4.137 4.877 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.328 -3.658 6.701 1.00 0.56 C ATOM 281 CE1 HIS A 19 1.205 -4.934 4.945 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.945 -4.683 6.030 1.00 0.48 N ATOM 0 H HIS A 19 -2.161 -3.439 7.924 1.00 0.46 H new ATOM 0 HA HIS A 19 0.143 -1.790 8.099 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.763 -2.600 5.912 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.537 -1.382 5.616 1.00 0.46 H new ATOM 0 HD1 HIS A 19 -0.563 -4.125 4.153 1.00 0.60 H new ATOM 0 HD2 HIS A 19 1.656 -3.203 7.624 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.438 -5.695 4.215 1.00 0.53 H new ATOM 290 N GLY A 20 -2.789 -0.329 7.702 1.00 0.76 N ATOM 291 CA GLY A 20 -3.453 0.936 7.910 1.00 0.90 C ATOM 292 C GLY A 20 -4.701 1.115 7.072 1.00 0.81 C ATOM 293 O GLY A 20 -4.724 1.934 6.161 1.00 0.93 O ATOM 0 H GLY A 20 -3.406 -1.113 7.487 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.717 1.028 8.963 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.756 1.743 7.684 1.00 0.90 H new ATOM 297 N LYS A 21 -5.749 0.366 7.382 1.00 0.79 N ATOM 298 CA LYS A 21 -7.029 0.567 6.716 1.00 0.87 C ATOM 299 C LYS A 21 -7.824 1.622 7.456 1.00 0.89 C ATOM 300 O LYS A 21 -8.308 2.590 6.870 1.00 0.93 O ATOM 301 CB LYS A 21 -7.838 -0.723 6.658 1.00 1.09 C ATOM 302 CG LYS A 21 -7.425 -1.662 5.536 1.00 1.20 C ATOM 303 CD LYS A 21 -8.128 -3.011 5.636 1.00 1.39 C ATOM 304 CE LYS A 21 -9.648 -2.883 5.616 1.00 1.73 C ATOM 305 NZ LYS A 21 -10.148 -2.224 4.380 1.00 2.11 N ATOM 0 H LYS A 21 -5.741 -0.377 8.081 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.829 0.891 5.695 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.739 -1.245 7.610 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -8.892 -0.474 6.540 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -7.656 -1.203 4.575 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -6.346 -1.812 5.567 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -7.809 -3.645 4.808 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.821 -3.509 6.556 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -10.094 -3.874 5.701 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.973 -2.311 6.485 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -11.182 -2.326 4.326 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -9.901 -1.214 4.401 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -9.712 -2.670 3.548 1.00 2.11 H new ATOM 319 N THR A 22 -7.921 1.436 8.763 1.00 0.92 N ATOM 320 CA THR A 22 -8.677 2.334 9.611 1.00 1.00 C ATOM 321 C THR A 22 -8.054 3.726 9.607 1.00 0.99 C ATOM 322 O THR A 22 -8.754 4.727 9.722 1.00 1.03 O ATOM 323 CB THR A 22 -8.735 1.789 11.050 1.00 1.10 C ATOM 324 OG1 THR A 22 -8.917 0.363 11.015 1.00 1.80 O ATOM 325 CG2 THR A 22 -9.875 2.429 11.826 1.00 1.65 C ATOM 0 H THR A 22 -7.480 0.662 9.260 1.00 0.92 H new ATOM 0 HA THR A 22 -9.691 2.404 9.218 1.00 1.00 H new ATOM 0 HB THR A 22 -7.798 2.031 11.551 1.00 1.10 H new ATOM 0 HG1 THR A 22 -8.952 0.015 11.931 1.00 1.80 H new ATOM 0 HG21 THR A 22 -9.896 2.028 12.839 1.00 1.65 H new ATOM 0 HG22 THR A 22 -9.727 3.508 11.866 1.00 1.65 H new ATOM 0 HG23 THR A 22 -10.821 2.210 11.330 1.00 1.65 H new ATOM 333 N THR A 23 -6.736 3.784 9.435 1.00 0.99 N ATOM 334 CA THR A 23 -6.026 5.054 9.406 1.00 1.02 C ATOM 335 C THR A 23 -6.405 5.855 8.160 1.00 0.96 C ATOM 336 O THR A 23 -6.356 7.083 8.174 1.00 0.96 O ATOM 337 CB THR A 23 -4.494 4.850 9.469 1.00 1.12 C ATOM 338 OG1 THR A 23 -3.836 6.069 9.836 1.00 1.77 O ATOM 339 CG2 THR A 23 -3.942 4.374 8.135 1.00 1.41 C ATOM 0 H THR A 23 -6.140 2.965 9.314 1.00 0.99 H new ATOM 0 HA THR A 23 -6.324 5.617 10.290 1.00 1.02 H new ATOM 0 HB THR A 23 -4.302 4.087 10.224 1.00 1.12 H new ATOM 0 HG1 THR A 23 -2.868 5.920 9.872 1.00 1.77 H new ATOM 0 HG21 THR A 23 -2.863 4.241 8.214 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.406 3.425 7.867 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.160 5.115 7.366 1.00 1.41 H new ATOM 347 N LEU A 24 -6.809 5.166 7.094 1.00 0.96 N ATOM 348 CA LEU A 24 -7.265 5.851 5.894 1.00 0.96 C ATOM 349 C LEU A 24 -8.615 6.468 6.170 1.00 0.89 C ATOM 350 O LEU A 24 -8.785 7.675 6.057 1.00 0.91 O ATOM 351 CB LEU A 24 -7.345 4.890 4.705 1.00 1.06 C ATOM 352 CG LEU A 24 -6.013 4.274 4.273 1.00 0.88 C ATOM 353 CD1 LEU A 24 -6.212 3.349 3.083 1.00 1.78 C ATOM 354 CD2 LEU A 24 -5.003 5.363 3.941 1.00 1.57 C ATOM 0 H LEU A 24 -6.829 4.148 7.040 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.549 6.631 5.633 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -8.035 4.084 4.956 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.773 5.423 3.856 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.623 3.685 5.103 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -5.253 2.921 2.791 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -6.899 2.548 3.356 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -6.627 3.914 2.248 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.062 4.906 3.636 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.387 5.980 3.128 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -4.836 5.985 4.821 1.00 1.57 H new ATOM 366 N LEU A 25 -9.552 5.641 6.594 1.00 0.88 N ATOM 367 CA LEU A 25 -10.888 6.109 6.914 1.00 0.91 C ATOM 368 C LEU A 25 -10.809 7.231 7.953 1.00 0.89 C ATOM 369 O LEU A 25 -11.491 8.240 7.836 1.00 0.92 O ATOM 370 CB LEU A 25 -11.736 4.938 7.429 1.00 1.02 C ATOM 371 CG LEU A 25 -13.233 5.006 7.105 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.896 3.666 7.376 1.00 1.76 C ATOM 373 CD2 LEU A 25 -13.921 6.100 7.906 1.00 1.96 C ATOM 0 H LEU A 25 -9.412 4.639 6.725 1.00 0.88 H new ATOM 0 HA LEU A 25 -11.362 6.508 6.017 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.335 4.013 7.014 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.620 4.878 8.511 1.00 1.02 H new ATOM 0 HG LEU A 25 -13.334 5.245 6.046 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.958 3.732 7.141 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.433 2.899 6.755 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -13.772 3.405 8.427 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -14.981 6.123 7.654 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -13.805 5.899 8.971 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -13.470 7.063 7.668 1.00 1.96 H new ATOM 385 N ASP A 26 -9.942 7.058 8.942 1.00 0.91 N ATOM 386 CA ASP A 26 -9.743 8.057 9.994 1.00 0.96 C ATOM 387 C ASP A 26 -9.194 9.378 9.451 1.00 0.92 C ATOM 388 O ASP A 26 -9.845 10.422 9.551 1.00 0.95 O ATOM 389 CB ASP A 26 -8.789 7.528 11.053 1.00 1.05 C ATOM 390 CG ASP A 26 -9.478 6.806 12.199 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.703 6.997 12.367 1.00 1.35 O ATOM 392 OD2 ASP A 26 -8.812 6.031 12.918 1.00 1.38 O ATOM 0 H ASP A 26 -9.358 6.228 9.041 1.00 0.91 H new ATOM 0 HA ASP A 26 -10.724 8.249 10.429 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -8.080 6.847 10.582 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.212 8.360 11.456 1.00 1.05 H new ATOM 397 N ALA A 27 -7.994 9.329 8.878 1.00 0.89 N ATOM 398 CA ALA A 27 -7.292 10.540 8.453 1.00 0.89 C ATOM 399 C ALA A 27 -7.986 11.214 7.280 1.00 0.85 C ATOM 400 O ALA A 27 -8.060 12.442 7.219 1.00 0.90 O ATOM 401 CB ALA A 27 -5.852 10.222 8.096 1.00 0.91 C ATOM 0 H ALA A 27 -7.486 8.463 8.697 1.00 0.89 H new ATOM 0 HA ALA A 27 -7.307 11.236 9.292 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.345 11.134 7.782 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.345 9.806 8.966 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -5.830 9.497 7.283 1.00 0.91 H new ATOM 407 N ILE A 28 -8.499 10.413 6.360 1.00 0.82 N ATOM 408 CA ILE A 28 -9.186 10.932 5.185 1.00 0.83 C ATOM 409 C ILE A 28 -10.462 11.670 5.592 1.00 0.88 C ATOM 410 O ILE A 28 -10.869 12.638 4.948 1.00 0.94 O ATOM 411 CB ILE A 28 -9.505 9.793 4.195 1.00 0.86 C ATOM 412 CG1 ILE A 28 -8.212 9.224 3.608 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.416 10.266 3.082 1.00 1.56 C ATOM 414 CD1 ILE A 28 -8.438 8.034 2.700 1.00 0.95 C ATOM 0 H ILE A 28 -8.453 9.395 6.404 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.526 11.641 4.686 1.00 0.83 H new ATOM 0 HB ILE A 28 -10.025 9.009 4.746 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -7.700 10.007 3.048 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -7.550 8.930 4.423 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.620 9.438 2.403 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.353 10.626 3.507 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -9.932 11.074 2.534 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -7.480 7.680 2.318 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.922 7.235 3.261 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.075 8.329 1.866 1.00 0.95 H new ATOM 426 N ARG A 29 -11.072 11.224 6.683 1.00 0.93 N ATOM 427 CA ARG A 29 -12.214 11.926 7.253 1.00 1.04 C ATOM 428 C ARG A 29 -11.801 13.301 7.734 1.00 1.08 C ATOM 429 O ARG A 29 -12.500 14.291 7.514 1.00 1.17 O ATOM 430 CB ARG A 29 -12.801 11.141 8.415 1.00 1.16 C ATOM 431 CG ARG A 29 -13.733 10.044 7.975 1.00 1.33 C ATOM 432 CD ARG A 29 -15.111 10.593 7.660 1.00 1.58 C ATOM 433 NE ARG A 29 -15.646 11.374 8.777 1.00 2.13 N ATOM 434 CZ ARG A 29 -16.655 12.236 8.669 1.00 2.85 C ATOM 435 NH1 ARG A 29 -17.243 12.432 7.497 1.00 3.29 N ATOM 436 NH2 ARG A 29 -17.073 12.909 9.735 1.00 3.56 N ATOM 0 H ARG A 29 -10.796 10.382 7.189 1.00 0.93 H new ATOM 0 HA ARG A 29 -12.970 12.028 6.474 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -11.990 10.708 9.000 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.338 11.824 9.073 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -13.326 9.548 7.094 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.809 9.290 8.759 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.059 11.219 6.769 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.788 9.770 7.433 1.00 1.58 H new ATOM 0 HE ARG A 29 -15.219 11.250 9.695 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -16.923 11.922 6.674 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -18.016 13.093 7.418 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -16.621 12.766 10.638 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -17.846 13.569 9.651 1.00 3.56 H new ATOM 450 N HIS A 30 -10.632 13.358 8.355 1.00 1.05 N ATOM 451 CA HIS A 30 -10.090 14.613 8.849 1.00 1.13 C ATOM 452 C HIS A 30 -9.528 15.426 7.688 1.00 1.15 C ATOM 453 O HIS A 30 -8.855 16.436 7.887 1.00 1.32 O ATOM 454 CB HIS A 30 -9.011 14.357 9.890 1.00 1.23 C ATOM 455 CG HIS A 30 -8.944 15.403 10.946 1.00 1.70 C ATOM 456 ND1 HIS A 30 -8.015 15.412 11.963 1.00 2.44 N ATOM 457 CD2 HIS A 30 -9.722 16.468 11.142 1.00 2.01 C ATOM 458 CE1 HIS A 30 -8.239 16.451 12.744 1.00 2.88 C ATOM 459 NE2 HIS A 30 -9.276 17.112 12.266 1.00 2.60 N ATOM 0 H HIS A 30 -10.040 12.546 8.529 1.00 1.05 H new ATOM 0 HA HIS A 30 -10.892 15.180 9.323 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.192 13.390 10.359 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -8.044 14.293 9.391 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -10.555 16.769 10.525 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -7.671 16.715 13.624 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -9.678 17.960 12.666 1.00 2.60 H new ATOM 468 N SER A 31 -9.797 14.964 6.474 1.00 1.07 N ATOM 469 CA SER A 31 -9.425 15.703 5.280 1.00 1.19 C ATOM 470 C SER A 31 -10.662 16.343 4.643 1.00 1.32 C ATOM 471 O SER A 31 -10.614 16.804 3.502 1.00 1.76 O ATOM 472 CB SER A 31 -8.685 14.797 4.289 1.00 1.15 C ATOM 473 OG SER A 31 -7.365 14.533 4.722 1.00 1.50 O ATOM 0 H SER A 31 -10.272 14.080 6.293 1.00 1.07 H new ATOM 0 HA SER A 31 -8.742 16.504 5.562 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.228 13.858 4.176 1.00 1.15 H new ATOM 0 HB3 SER A 31 -8.660 15.271 3.308 1.00 1.15 H new ATOM 0 HG SER A 31 -6.918 13.952 4.072 1.00 1.50 H new ATOM 479 N LYS A 32 -11.777 16.336 5.396 1.00 1.43 N ATOM 480 CA LYS A 32 -12.999 17.096 5.068 1.00 1.81 C ATOM 481 C LYS A 32 -13.804 16.506 3.910 1.00 1.37 C ATOM 482 O LYS A 32 -15.032 16.519 3.926 1.00 1.78 O ATOM 483 CB LYS A 32 -12.641 18.542 4.741 1.00 2.82 C ATOM 484 CG LYS A 32 -11.977 19.284 5.881 1.00 3.53 C ATOM 485 CD LYS A 32 -12.826 19.245 7.134 1.00 4.33 C ATOM 486 CE LYS A 32 -12.251 20.138 8.222 1.00 5.18 C ATOM 487 NZ LYS A 32 -12.199 21.561 7.793 1.00 5.71 N ATOM 0 H LYS A 32 -11.857 15.797 6.258 1.00 1.43 H new ATOM 0 HA LYS A 32 -13.632 17.040 5.953 1.00 1.81 H new ATOM 0 HB2 LYS A 32 -11.977 18.555 3.877 1.00 2.82 H new ATOM 0 HB3 LYS A 32 -13.548 19.074 4.454 1.00 2.82 H new ATOM 0 HG2 LYS A 32 -11.002 18.842 6.086 1.00 3.53 H new ATOM 0 HG3 LYS A 32 -11.802 20.320 5.590 1.00 3.53 H new ATOM 0 HD2 LYS A 32 -13.841 19.565 6.898 1.00 4.33 H new ATOM 0 HD3 LYS A 32 -12.891 18.220 7.499 1.00 4.33 H new ATOM 0 HE2 LYS A 32 -12.858 20.051 9.123 1.00 5.18 H new ATOM 0 HE3 LYS A 32 -11.248 19.798 8.480 1.00 5.18 H new ATOM 0 HZ1 LYS A 32 -12.599 22.164 8.540 1.00 5.71 H new ATOM 0 HZ2 LYS A 32 -11.211 21.835 7.618 1.00 5.71 H new ATOM 0 HZ3 LYS A 32 -12.751 21.681 6.920 1.00 5.71 H new ATOM 501 N VAL A 33 -13.100 16.003 2.918 1.00 1.59 N ATOM 502 CA VAL A 33 -13.687 15.544 1.654 1.00 1.75 C ATOM 503 C VAL A 33 -14.492 14.233 1.799 1.00 1.88 C ATOM 504 O VAL A 33 -14.644 13.463 0.846 1.00 2.52 O ATOM 505 CB VAL A 33 -12.551 15.352 0.629 1.00 2.22 C ATOM 506 CG1 VAL A 33 -11.719 14.127 0.982 1.00 2.95 C ATOM 507 CG2 VAL A 33 -13.064 15.266 -0.790 1.00 2.99 C ATOM 0 H VAL A 33 -12.086 15.895 2.957 1.00 1.59 H new ATOM 0 HA VAL A 33 -14.395 16.303 1.320 1.00 1.75 H new ATOM 0 HB VAL A 33 -11.916 16.236 0.680 1.00 2.22 H new ATOM 0 HG11 VAL A 33 -10.921 14.005 0.249 1.00 2.95 H new ATOM 0 HG12 VAL A 33 -11.284 14.256 1.973 1.00 2.95 H new ATOM 0 HG13 VAL A 33 -12.355 13.242 0.977 1.00 2.95 H new ATOM 0 HG21 VAL A 33 -12.225 15.131 -1.473 1.00 2.99 H new ATOM 0 HG22 VAL A 33 -13.745 14.420 -0.880 1.00 2.99 H new ATOM 0 HG23 VAL A 33 -13.593 16.185 -1.042 1.00 2.99 H new ATOM 517 N THR A 34 -15.027 13.986 2.977 1.00 1.80 N ATOM 518 CA THR A 34 -15.739 12.758 3.237 1.00 2.15 C ATOM 519 C THR A 34 -17.227 12.999 3.437 1.00 1.77 C ATOM 520 O THR A 34 -17.643 13.743 4.324 1.00 2.24 O ATOM 521 CB THR A 34 -15.160 12.056 4.466 1.00 3.04 C ATOM 522 OG1 THR A 34 -14.826 13.013 5.478 1.00 3.73 O ATOM 523 CG2 THR A 34 -13.933 11.261 4.084 1.00 3.93 C ATOM 0 H THR A 34 -14.980 14.625 3.771 1.00 1.80 H new ATOM 0 HA THR A 34 -15.615 12.120 2.362 1.00 2.15 H new ATOM 0 HB THR A 34 -15.914 11.376 4.862 1.00 3.04 H new ATOM 0 HG1 THR A 34 -15.631 13.506 5.741 1.00 3.73 H new ATOM 0 HG21 THR A 34 -13.530 10.766 4.968 1.00 3.93 H new ATOM 0 HG22 THR A 34 -14.202 10.512 3.340 1.00 3.93 H new ATOM 0 HG23 THR A 34 -13.180 11.931 3.669 1.00 3.93 H new ATOM 531 N GLU A 35 -18.018 12.361 2.583 1.00 1.44 N ATOM 532 CA GLU A 35 -19.478 12.453 2.653 1.00 1.66 C ATOM 533 C GLU A 35 -20.039 11.808 3.913 1.00 1.86 C ATOM 534 O GLU A 35 -20.735 12.450 4.696 1.00 2.52 O ATOM 535 CB GLU A 35 -20.133 11.782 1.446 1.00 2.22 C ATOM 536 CG GLU A 35 -20.286 12.675 0.232 1.00 3.01 C ATOM 537 CD GLU A 35 -21.486 12.276 -0.602 1.00 3.69 C ATOM 538 OE1 GLU A 35 -21.331 11.409 -1.487 1.00 4.12 O ATOM 539 OE2 GLU A 35 -22.577 12.834 -0.399 1.00 4.20 O ATOM 0 H GLU A 35 -17.673 11.769 1.827 1.00 1.44 H new ATOM 0 HA GLU A 35 -19.708 13.518 2.664 1.00 1.66 H new ATOM 0 HB2 GLU A 35 -19.542 10.910 1.167 1.00 2.22 H new ATOM 0 HB3 GLU A 35 -21.118 11.419 1.739 1.00 2.22 H new ATOM 0 HG2 GLU A 35 -20.392 13.711 0.552 1.00 3.01 H new ATOM 0 HG3 GLU A 35 -19.384 12.621 -0.377 1.00 3.01 H new ATOM 546 N GLN A 36 -19.762 10.525 4.081 1.00 1.82 N ATOM 547 CA GLN A 36 -20.350 9.757 5.166 1.00 2.41 C ATOM 548 C GLN A 36 -19.513 9.872 6.435 1.00 2.32 C ATOM 549 O GLN A 36 -18.282 9.812 6.399 1.00 2.74 O ATOM 550 CB GLN A 36 -20.539 8.300 4.735 1.00 3.30 C ATOM 551 CG GLN A 36 -21.648 8.132 3.700 1.00 3.71 C ATOM 552 CD GLN A 36 -21.796 6.709 3.190 1.00 4.77 C ATOM 553 OE1 GLN A 36 -21.523 5.740 3.897 1.00 5.34 O ATOM 554 NE2 GLN A 36 -22.260 6.579 1.959 1.00 5.38 N ATOM 0 H GLN A 36 -19.133 9.993 3.479 1.00 1.82 H new ATOM 0 HA GLN A 36 -21.332 10.169 5.397 1.00 2.41 H new ATOM 0 HB2 GLN A 36 -19.603 7.923 4.323 1.00 3.30 H new ATOM 0 HB3 GLN A 36 -20.770 7.693 5.611 1.00 3.30 H new ATOM 0 HG2 GLN A 36 -22.593 8.452 4.138 1.00 3.71 H new ATOM 0 HG3 GLN A 36 -21.448 8.792 2.856 1.00 3.71 H new ATOM 0 HE21 GLN A 36 -22.475 7.408 1.405 1.00 5.38 H new ATOM 0 HE22 GLN A 36 -22.404 5.650 1.564 1.00 5.38 H new ATOM 563 N GLU A 37 -20.212 10.051 7.551 1.00 2.52 N ATOM 564 CA GLU A 37 -19.595 10.447 8.813 1.00 2.96 C ATOM 565 C GLU A 37 -19.054 9.272 9.620 1.00 3.08 C ATOM 566 O GLU A 37 -17.892 9.272 10.025 1.00 3.74 O ATOM 567 CB GLU A 37 -20.617 11.205 9.664 1.00 3.77 C ATOM 568 CG GLU A 37 -21.107 12.503 9.040 1.00 4.29 C ATOM 569 CD GLU A 37 -20.001 13.526 8.893 1.00 5.23 C ATOM 570 OE1 GLU A 37 -19.586 14.115 9.905 1.00 5.79 O ATOM 571 OE2 GLU A 37 -19.550 13.757 7.749 1.00 5.67 O ATOM 0 H GLU A 37 -21.223 9.926 7.607 1.00 2.52 H new ATOM 0 HA GLU A 37 -18.745 11.079 8.558 1.00 2.96 H new ATOM 0 HB2 GLU A 37 -21.474 10.556 9.846 1.00 3.77 H new ATOM 0 HB3 GLU A 37 -20.173 11.426 10.634 1.00 3.77 H new ATOM 0 HG2 GLU A 37 -21.536 12.293 8.060 1.00 4.29 H new ATOM 0 HG3 GLU A 37 -21.905 12.920 9.655 1.00 4.29 H new ATOM 578 N ALA A 38 -19.887 8.276 9.853 1.00 2.92 N ATOM 579 CA ALA A 38 -19.565 7.237 10.824 1.00 3.44 C ATOM 580 C ALA A 38 -19.055 5.977 10.146 1.00 3.42 C ATOM 581 O ALA A 38 -19.636 4.904 10.294 1.00 3.69 O ATOM 582 CB ALA A 38 -20.780 6.929 11.685 1.00 4.24 C ATOM 0 H ALA A 38 -20.788 8.160 9.389 1.00 2.92 H new ATOM 0 HA ALA A 38 -18.765 7.611 11.463 1.00 3.44 H new ATOM 0 HB1 ALA A 38 -20.527 6.152 12.406 1.00 4.24 H new ATOM 0 HB2 ALA A 38 -21.088 7.830 12.216 1.00 4.24 H new ATOM 0 HB3 ALA A 38 -21.597 6.584 11.051 1.00 4.24 H new ATOM 588 N GLY A 39 -17.973 6.115 9.397 1.00 3.60 N ATOM 589 CA GLY A 39 -17.390 4.971 8.727 1.00 3.96 C ATOM 590 C GLY A 39 -16.772 3.996 9.708 1.00 4.53 C ATOM 591 O GLY A 39 -15.680 4.236 10.220 1.00 4.95 O ATOM 0 H GLY A 39 -17.487 6.998 9.240 1.00 3.60 H new ATOM 0 HA2 GLY A 39 -18.157 4.462 8.144 1.00 3.96 H new ATOM 0 HA3 GLY A 39 -16.629 5.311 8.025 1.00 3.96 H new ATOM 595 N GLY A 40 -17.475 2.908 9.987 1.00 4.95 N ATOM 596 CA GLY A 40 -16.965 1.926 10.916 1.00 5.80 C ATOM 597 C GLY A 40 -17.900 0.752 11.106 1.00 6.36 C ATOM 598 O GLY A 40 -18.579 0.328 10.172 1.00 6.66 O ATOM 0 H GLY A 40 -18.387 2.690 9.587 1.00 4.95 H new ATOM 0 HA2 GLY A 40 -16.001 1.562 10.559 1.00 5.80 H new ATOM 0 HA3 GLY A 40 -16.789 2.403 11.880 1.00 5.80 H new ATOM 602 N ILE A 41 -17.945 0.240 12.329 1.00 6.77 N ATOM 603 CA ILE A 41 -18.702 -0.960 12.650 1.00 7.49 C ATOM 604 C ILE A 41 -20.132 -0.646 13.099 1.00 7.34 C ATOM 605 O ILE A 41 -20.772 -1.458 13.778 1.00 7.90 O ATOM 606 CB ILE A 41 -17.994 -1.751 13.765 1.00 8.32 C ATOM 607 CG1 ILE A 41 -17.716 -0.835 14.963 1.00 8.45 C ATOM 608 CG2 ILE A 41 -16.707 -2.375 13.244 1.00 9.17 C ATOM 609 CD1 ILE A 41 -17.042 -1.530 16.122 1.00 9.07 C ATOM 0 H ILE A 41 -17.456 0.647 13.127 1.00 6.77 H new ATOM 0 HA ILE A 41 -18.755 -1.552 11.736 1.00 7.49 H new ATOM 0 HB ILE A 41 -18.647 -2.559 14.094 1.00 8.32 H new ATOM 0 HG12 ILE A 41 -17.089 -0.005 14.636 1.00 8.45 H new ATOM 0 HG13 ILE A 41 -18.658 -0.407 15.307 1.00 8.45 H new ATOM 0 HG21 ILE A 41 -16.221 -2.930 14.046 1.00 9.17 H new ATOM 0 HG22 ILE A 41 -16.938 -3.053 12.422 1.00 9.17 H new ATOM 0 HG23 ILE A 41 -16.039 -1.590 12.890 1.00 9.17 H new ATOM 0 HD11 ILE A 41 -16.879 -0.816 16.930 1.00 9.07 H new ATOM 0 HD12 ILE A 41 -17.676 -2.342 16.478 1.00 9.07 H new ATOM 0 HD13 ILE A 41 -16.083 -1.934 15.796 1.00 9.07 H new ATOM 621 N THR A 42 -20.626 0.525 12.737 1.00 6.77 N ATOM 622 CA THR A 42 -21.970 0.921 13.085 1.00 6.78 C ATOM 623 C THR A 42 -22.958 0.525 11.992 1.00 6.26 C ATOM 624 O THR A 42 -22.580 0.368 10.834 1.00 6.12 O ATOM 625 CB THR A 42 -22.034 2.439 13.300 1.00 6.87 C ATOM 626 OG1 THR A 42 -21.518 3.129 12.153 1.00 7.36 O ATOM 627 CG2 THR A 42 -21.253 2.850 14.539 1.00 7.24 C ATOM 0 H THR A 42 -20.108 1.219 12.198 1.00 6.77 H new ATOM 0 HA THR A 42 -22.243 0.407 14.007 1.00 6.78 H new ATOM 0 HB THR A 42 -23.080 2.711 13.443 1.00 6.87 H new ATOM 0 HG1 THR A 42 -21.596 2.554 11.363 1.00 7.36 H new ATOM 0 HG21 THR A 42 -21.316 3.931 14.667 1.00 7.24 H new ATOM 0 HG22 THR A 42 -21.674 2.356 15.415 1.00 7.24 H new ATOM 0 HG23 THR A 42 -20.209 2.558 14.424 1.00 7.24 H new ATOM 635 N GLN A 43 -24.225 0.369 12.359 1.00 6.30 N ATOM 636 CA GLN A 43 -25.262 0.058 11.382 1.00 6.20 C ATOM 637 C GLN A 43 -25.898 1.337 10.859 1.00 5.65 C ATOM 638 O GLN A 43 -27.014 1.325 10.344 1.00 6.00 O ATOM 639 CB GLN A 43 -26.340 -0.864 11.967 1.00 7.05 C ATOM 640 CG GLN A 43 -25.943 -2.332 11.997 1.00 7.68 C ATOM 641 CD GLN A 43 -24.947 -2.665 13.089 1.00 8.40 C ATOM 642 OE1 GLN A 43 -25.065 -1.999 14.227 1.00 8.83 O flip ATOM 643 NE2 GLN A 43 -24.098 -3.538 12.921 1.00 8.79 N flip ATOM 0 H GLN A 43 -24.558 0.452 13.320 1.00 6.30 H new ATOM 0 HA GLN A 43 -24.784 -0.471 10.557 1.00 6.20 H new ATOM 0 HB2 GLN A 43 -26.571 -0.539 12.981 1.00 7.05 H new ATOM 0 HB3 GLN A 43 -27.253 -0.756 11.382 1.00 7.05 H new ATOM 0 HG2 GLN A 43 -26.837 -2.940 12.134 1.00 7.68 H new ATOM 0 HG3 GLN A 43 -25.517 -2.605 11.032 1.00 7.68 H new ATOM 0 HE21 GLN A 43 -24.040 -4.028 12.028 1.00 8.79 H new ATOM 0 HE22 GLN A 43 -23.451 -3.772 13.674 1.00 8.79 H new ATOM 652 N HIS A 44 -25.187 2.444 11.014 1.00 5.11 N ATOM 653 CA HIS A 44 -25.623 3.717 10.465 1.00 4.88 C ATOM 654 C HIS A 44 -24.817 4.018 9.214 1.00 4.31 C ATOM 655 O HIS A 44 -25.355 4.098 8.112 1.00 4.61 O ATOM 656 CB HIS A 44 -25.434 4.856 11.471 1.00 5.23 C ATOM 657 CG HIS A 44 -26.272 4.744 12.706 1.00 5.70 C ATOM 658 ND1 HIS A 44 -27.552 5.241 12.797 1.00 6.04 N ATOM 659 CD2 HIS A 44 -25.991 4.215 13.918 1.00 6.21 C ATOM 660 CE1 HIS A 44 -28.020 5.023 14.010 1.00 6.66 C ATOM 661 NE2 HIS A 44 -27.093 4.401 14.717 1.00 6.76 N ATOM 0 H HIS A 44 -24.301 2.485 11.518 1.00 5.11 H new ATOM 0 HA HIS A 44 -26.685 3.643 10.230 1.00 4.88 H new ATOM 0 HB2 HIS A 44 -24.384 4.895 11.763 1.00 5.23 H new ATOM 0 HB3 HIS A 44 -25.663 5.800 10.977 1.00 5.23 H new ATOM 0 HD2 HIS A 44 -25.068 3.734 14.206 1.00 6.21 H new ATOM 0 HE1 HIS A 44 -28.999 5.306 14.367 1.00 6.66 H new ATOM 0 HE2 HIS A 44 -27.181 4.109 15.690 1.00 6.76 H new ATOM 670 N ILE A 45 -23.515 4.164 9.404 1.00 3.86 N ATOM 671 CA ILE A 45 -22.594 4.434 8.316 1.00 3.48 C ATOM 672 C ILE A 45 -21.467 3.398 8.364 1.00 3.02 C ATOM 673 O ILE A 45 -21.326 2.682 9.357 1.00 3.28 O ATOM 674 CB ILE A 45 -22.027 5.878 8.421 1.00 3.98 C ATOM 675 CG1 ILE A 45 -23.163 6.906 8.379 1.00 4.52 C ATOM 676 CG2 ILE A 45 -21.026 6.173 7.311 1.00 4.50 C ATOM 677 CD1 ILE A 45 -23.916 6.913 7.067 1.00 5.19 C ATOM 0 H ILE A 45 -23.069 4.098 10.319 1.00 3.86 H new ATOM 0 HA ILE A 45 -23.117 4.360 7.363 1.00 3.48 H new ATOM 0 HB ILE A 45 -21.507 5.953 9.376 1.00 3.98 H new ATOM 0 HG12 ILE A 45 -23.862 6.698 9.190 1.00 4.52 H new ATOM 0 HG13 ILE A 45 -22.752 7.899 8.559 1.00 4.52 H new ATOM 0 HG21 ILE A 45 -20.653 7.191 7.419 1.00 4.50 H new ATOM 0 HG22 ILE A 45 -20.193 5.472 7.376 1.00 4.50 H new ATOM 0 HG23 ILE A 45 -21.515 6.066 6.343 1.00 4.50 H new ATOM 0 HD11 ILE A 45 -24.706 7.663 7.105 1.00 5.19 H new ATOM 0 HD12 ILE A 45 -23.229 7.150 6.255 1.00 5.19 H new ATOM 0 HD13 ILE A 45 -24.356 5.931 6.895 1.00 5.19 H new ATOM 689 N GLY A 46 -20.685 3.315 7.302 1.00 2.83 N ATOM 690 CA GLY A 46 -19.629 2.322 7.228 1.00 2.96 C ATOM 691 C GLY A 46 -18.593 2.692 6.193 1.00 2.37 C ATOM 692 O GLY A 46 -17.399 2.736 6.478 1.00 2.97 O ATOM 0 H GLY A 46 -20.761 3.919 6.484 1.00 2.83 H new ATOM 0 HA2 GLY A 46 -19.152 2.223 8.203 1.00 2.96 H new ATOM 0 HA3 GLY A 46 -20.058 1.350 6.984 1.00 2.96 H new ATOM 696 N ALA A 47 -19.057 2.970 4.985 1.00 1.69 N ATOM 697 CA ALA A 47 -18.186 3.444 3.927 1.00 1.33 C ATOM 698 C ALA A 47 -18.259 4.965 3.856 1.00 1.25 C ATOM 699 O ALA A 47 -18.820 5.600 4.749 1.00 1.45 O ATOM 700 CB ALA A 47 -18.588 2.823 2.598 1.00 1.71 C ATOM 0 H ALA A 47 -20.036 2.874 4.715 1.00 1.69 H new ATOM 0 HA ALA A 47 -17.159 3.149 4.142 1.00 1.33 H new ATOM 0 HB1 ALA A 47 -17.927 3.187 1.812 1.00 1.71 H new ATOM 0 HB2 ALA A 47 -18.510 1.738 2.665 1.00 1.71 H new ATOM 0 HB3 ALA A 47 -19.616 3.099 2.364 1.00 1.71 H new ATOM 706 N TYR A 48 -17.695 5.551 2.808 1.00 1.05 N ATOM 707 CA TYR A 48 -17.731 6.994 2.644 1.00 1.04 C ATOM 708 C TYR A 48 -17.389 7.382 1.217 1.00 0.91 C ATOM 709 O TYR A 48 -16.492 6.811 0.606 1.00 0.86 O ATOM 710 CB TYR A 48 -16.797 7.698 3.639 1.00 1.16 C ATOM 711 CG TYR A 48 -15.357 7.242 3.595 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.019 5.933 3.894 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.344 8.107 3.218 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.710 5.501 3.835 1.00 1.77 C ATOM 715 CE2 TYR A 48 -13.031 7.687 3.150 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.701 6.426 3.570 1.00 1.96 C ATOM 717 OH TYR A 48 -11.413 5.951 3.386 1.00 2.54 O ATOM 0 H TYR A 48 -17.210 5.050 2.063 1.00 1.05 H new ATOM 0 HA TYR A 48 -18.748 7.325 2.856 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.829 8.771 3.448 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -17.181 7.543 4.647 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.794 5.237 4.179 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.586 9.130 2.972 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.470 4.460 3.992 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.268 8.349 2.768 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.053 6.299 2.543 1.00 2.54 H new ATOM 727 N GLN A 49 -18.124 8.337 0.682 1.00 1.01 N ATOM 728 CA GLN A 49 -17.890 8.808 -0.671 1.00 1.00 C ATOM 729 C GLN A 49 -17.072 10.094 -0.638 1.00 1.11 C ATOM 730 O GLN A 49 -17.131 10.844 0.338 1.00 1.34 O ATOM 731 CB GLN A 49 -19.221 9.011 -1.394 1.00 1.16 C ATOM 732 CG GLN A 49 -20.026 7.725 -1.511 1.00 1.18 C ATOM 733 CD GLN A 49 -21.312 7.889 -2.294 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.334 7.740 -3.514 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.399 8.191 -1.600 1.00 1.96 N ATOM 0 H GLN A 49 -18.891 8.804 1.165 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.321 8.060 -1.223 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -19.810 9.757 -0.860 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.032 9.409 -2.391 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.412 6.963 -1.991 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.262 7.361 -0.511 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -22.342 8.307 -0.588 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.293 8.308 -2.077 1.00 1.96 H new ATOM 744 N VAL A 50 -16.309 10.334 -1.696 1.00 1.04 N ATOM 745 CA VAL A 50 -15.358 11.439 -1.715 1.00 1.18 C ATOM 746 C VAL A 50 -15.825 12.574 -2.608 1.00 1.28 C ATOM 747 O VAL A 50 -16.497 12.371 -3.622 1.00 1.38 O ATOM 748 CB VAL A 50 -13.957 10.970 -2.162 1.00 1.24 C ATOM 749 CG1 VAL A 50 -12.955 12.113 -2.221 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.457 9.894 -1.230 1.00 1.59 C ATOM 0 H VAL A 50 -16.329 9.779 -2.552 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.296 11.810 -0.692 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.053 10.572 -3.172 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -11.985 11.731 -2.540 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.301 12.864 -2.931 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -12.860 12.564 -1.234 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.468 9.566 -1.550 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.398 10.290 -0.216 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.144 9.048 -1.250 1.00 1.59 H new ATOM 760 N THR A 51 -15.404 13.754 -2.223 1.00 1.42 N ATOM 761 CA THR A 51 -15.829 15.004 -2.836 1.00 1.57 C ATOM 762 C THR A 51 -14.839 15.490 -3.896 1.00 1.83 C ATOM 763 O THR A 51 -13.864 16.175 -3.593 1.00 2.06 O ATOM 764 CB THR A 51 -15.996 16.103 -1.762 1.00 1.67 C ATOM 765 OG1 THR A 51 -16.959 15.684 -0.787 1.00 1.94 O ATOM 766 CG2 THR A 51 -16.440 17.420 -2.386 1.00 1.88 C ATOM 0 H THR A 51 -14.741 13.883 -1.458 1.00 1.42 H new ATOM 0 HA THR A 51 -16.785 14.809 -3.322 1.00 1.57 H new ATOM 0 HB THR A 51 -15.030 16.260 -1.283 1.00 1.67 H new ATOM 0 HG1 THR A 51 -17.061 16.382 -0.107 1.00 1.94 H new ATOM 0 HG21 THR A 51 -16.549 18.174 -1.606 1.00 1.88 H new ATOM 0 HG22 THR A 51 -15.693 17.750 -3.108 1.00 1.88 H new ATOM 0 HG23 THR A 51 -17.396 17.279 -2.891 1.00 1.88 H new ATOM 774 N VAL A 52 -15.088 15.122 -5.134 1.00 2.18 N ATOM 775 CA VAL A 52 -14.370 15.702 -6.254 1.00 2.71 C ATOM 776 C VAL A 52 -15.381 16.308 -7.203 1.00 2.73 C ATOM 777 O VAL A 52 -16.245 15.595 -7.720 1.00 2.83 O ATOM 778 CB VAL A 52 -13.470 14.682 -6.976 1.00 3.49 C ATOM 779 CG1 VAL A 52 -14.238 13.424 -7.349 1.00 4.12 C ATOM 780 CG2 VAL A 52 -12.820 15.318 -8.198 1.00 3.97 C ATOM 0 H VAL A 52 -15.783 14.422 -5.393 1.00 2.18 H new ATOM 0 HA VAL A 52 -13.697 16.472 -5.877 1.00 2.71 H new ATOM 0 HB VAL A 52 -12.681 14.381 -6.287 1.00 3.49 H new ATOM 0 HG11 VAL A 52 -13.571 12.727 -7.857 1.00 4.12 H new ATOM 0 HG12 VAL A 52 -14.632 12.957 -6.446 1.00 4.12 H new ATOM 0 HG13 VAL A 52 -15.063 13.685 -8.012 1.00 4.12 H new ATOM 0 HG21 VAL A 52 -12.187 14.584 -8.697 1.00 3.97 H new ATOM 0 HG22 VAL A 52 -13.594 15.658 -8.886 1.00 3.97 H new ATOM 0 HG23 VAL A 52 -12.213 16.168 -7.886 1.00 3.97 H new ATOM 790 N ASN A 53 -15.311 17.634 -7.362 1.00 2.87 N ATOM 791 CA ASN A 53 -16.371 18.417 -8.017 1.00 2.97 C ATOM 792 C ASN A 53 -17.589 18.476 -7.104 1.00 2.55 C ATOM 793 O ASN A 53 -18.195 19.526 -6.891 1.00 2.91 O ATOM 794 CB ASN A 53 -16.761 17.808 -9.355 1.00 3.48 C ATOM 795 CG ASN A 53 -17.700 18.676 -10.177 1.00 3.97 C ATOM 796 OD1 ASN A 53 -17.548 19.989 -10.082 1.00 4.43 O flip ATOM 797 ND2 ASN A 53 -18.549 18.165 -10.904 1.00 4.21 N flip ATOM 0 H ASN A 53 -14.522 18.196 -7.042 1.00 2.87 H new ATOM 0 HA ASN A 53 -15.993 19.423 -8.202 1.00 2.97 H new ATOM 0 HB2 ASN A 53 -15.857 17.618 -9.934 1.00 3.48 H new ATOM 0 HB3 ASN A 53 -17.235 16.842 -9.179 1.00 3.48 H new ATOM 0 HD21 ASN A 53 -18.636 17.150 -10.951 1.00 4.21 H new ATOM 0 HD22 ASN A 53 -19.166 18.756 -11.461 1.00 4.21 H new ATOM 804 N ASP A 54 -17.903 17.319 -6.556 1.00 2.17 N ATOM 805 CA ASP A 54 -19.015 17.135 -5.637 1.00 2.21 C ATOM 806 C ASP A 54 -18.889 15.777 -4.974 1.00 2.44 C ATOM 807 O ASP A 54 -18.796 15.666 -3.755 1.00 3.17 O ATOM 808 CB ASP A 54 -20.338 17.216 -6.371 1.00 2.57 C ATOM 809 CG ASP A 54 -21.536 17.003 -5.462 1.00 3.06 C ATOM 810 OD1 ASP A 54 -21.950 15.838 -5.279 1.00 3.37 O ATOM 811 OD2 ASP A 54 -22.078 17.997 -4.941 1.00 3.62 O ATOM 0 H ASP A 54 -17.383 16.461 -6.739 1.00 2.17 H new ATOM 0 HA ASP A 54 -18.987 17.925 -4.887 1.00 2.21 H new ATOM 0 HB2 ASP A 54 -20.422 18.191 -6.851 1.00 2.57 H new ATOM 0 HB3 ASP A 54 -20.353 16.468 -7.164 1.00 2.57 H new ATOM 816 N LYS A 55 -18.857 14.751 -5.815 1.00 2.26 N ATOM 817 CA LYS A 55 -18.706 13.373 -5.378 1.00 2.71 C ATOM 818 C LYS A 55 -18.654 12.469 -6.596 1.00 2.17 C ATOM 819 O LYS A 55 -19.649 12.324 -7.309 1.00 2.81 O ATOM 820 CB LYS A 55 -19.853 12.956 -4.444 1.00 3.83 C ATOM 821 CG LYS A 55 -19.768 11.513 -3.955 1.00 4.80 C ATOM 822 CD LYS A 55 -20.500 10.548 -4.879 1.00 5.76 C ATOM 823 CE LYS A 55 -21.994 10.835 -4.922 1.00 6.66 C ATOM 824 NZ LYS A 55 -22.655 10.562 -3.619 1.00 7.44 N ATOM 0 H LYS A 55 -18.936 14.855 -6.827 1.00 2.26 H new ATOM 0 HA LYS A 55 -17.778 13.281 -4.814 1.00 2.71 H new ATOM 0 HB2 LYS A 55 -19.863 13.621 -3.580 1.00 3.83 H new ATOM 0 HB3 LYS A 55 -20.800 13.096 -4.965 1.00 3.83 H new ATOM 0 HG2 LYS A 55 -18.721 11.218 -3.880 1.00 4.80 H new ATOM 0 HG3 LYS A 55 -20.191 11.445 -2.953 1.00 4.80 H new ATOM 0 HD2 LYS A 55 -20.086 10.622 -5.885 1.00 5.76 H new ATOM 0 HD3 LYS A 55 -20.335 9.525 -4.541 1.00 5.76 H new ATOM 0 HE2 LYS A 55 -22.154 11.877 -5.198 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -22.457 10.225 -5.698 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -23.372 11.292 -3.434 1.00 7.44 H new ATOM 0 HZ2 LYS A 55 -23.112 9.628 -3.650 1.00 7.44 H new ATOM 0 HZ3 LYS A 55 -21.944 10.575 -2.860 1.00 7.44 H new ATOM 838 N LYS A 56 -17.489 11.898 -6.856 1.00 1.66 N ATOM 839 CA LYS A 56 -17.323 10.980 -7.975 1.00 1.89 C ATOM 840 C LYS A 56 -16.579 9.725 -7.531 1.00 1.55 C ATOM 841 O LYS A 56 -16.388 8.801 -8.313 1.00 1.86 O ATOM 842 CB LYS A 56 -16.569 11.652 -9.129 1.00 2.73 C ATOM 843 CG LYS A 56 -17.269 12.878 -9.703 1.00 3.49 C ATOM 844 CD LYS A 56 -18.605 12.520 -10.339 1.00 4.29 C ATOM 845 CE LYS A 56 -19.341 13.757 -10.833 1.00 4.99 C ATOM 846 NZ LYS A 56 -18.606 14.451 -11.926 1.00 5.43 N ATOM 0 H LYS A 56 -16.643 12.053 -6.308 1.00 1.66 H new ATOM 0 HA LYS A 56 -18.316 10.699 -8.327 1.00 1.89 H new ATOM 0 HB2 LYS A 56 -15.578 11.943 -8.780 1.00 2.73 H new ATOM 0 HB3 LYS A 56 -16.424 10.923 -9.927 1.00 2.73 H new ATOM 0 HG2 LYS A 56 -17.428 13.610 -8.911 1.00 3.49 H new ATOM 0 HG3 LYS A 56 -16.626 13.348 -10.447 1.00 3.49 H new ATOM 0 HD2 LYS A 56 -18.440 11.837 -11.172 1.00 4.29 H new ATOM 0 HD3 LYS A 56 -19.224 11.993 -9.613 1.00 4.29 H new ATOM 0 HE2 LYS A 56 -20.331 13.471 -11.188 1.00 4.99 H new ATOM 0 HE3 LYS A 56 -19.488 14.446 -10.002 1.00 4.99 H new ATOM 0 HZ1 LYS A 56 -19.203 15.204 -12.322 1.00 5.43 H new ATOM 0 HZ2 LYS A 56 -17.731 14.866 -11.547 1.00 5.43 H new ATOM 0 HZ3 LYS A 56 -18.369 13.768 -12.673 1.00 5.43 H new ATOM 860 N ILE A 57 -16.161 9.697 -6.269 1.00 1.14 N ATOM 861 CA ILE A 57 -15.431 8.552 -5.737 1.00 0.88 C ATOM 862 C ILE A 57 -16.220 7.912 -4.603 1.00 0.85 C ATOM 863 O ILE A 57 -16.818 8.611 -3.788 1.00 0.97 O ATOM 864 CB ILE A 57 -14.039 8.950 -5.195 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.249 9.761 -6.227 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.256 7.706 -4.801 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.891 10.216 -5.728 1.00 0.86 C ATOM 0 H ILE A 57 -16.314 10.450 -5.599 1.00 1.14 H new ATOM 0 HA ILE A 57 -15.298 7.851 -6.561 1.00 0.88 H new ATOM 0 HB ILE A 57 -14.188 9.577 -4.316 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -13.114 9.158 -7.125 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.833 10.635 -6.515 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.277 7.998 -4.421 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.799 7.164 -4.027 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.130 7.064 -5.673 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.388 10.784 -6.510 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -12.019 10.846 -4.847 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.289 9.346 -5.467 1.00 0.86 H new ATOM 879 N THR A 58 -16.231 6.589 -4.562 1.00 0.80 N ATOM 880 CA THR A 58 -16.873 5.867 -3.473 1.00 0.80 C ATOM 881 C THR A 58 -15.858 4.961 -2.771 1.00 0.73 C ATOM 882 O THR A 58 -15.364 4.010 -3.366 1.00 0.85 O ATOM 883 CB THR A 58 -18.046 5.016 -4.001 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.862 5.804 -4.879 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.896 4.489 -2.857 1.00 1.28 C ATOM 0 H THR A 58 -15.803 5.993 -5.270 1.00 0.80 H new ATOM 0 HA THR A 58 -17.260 6.596 -2.761 1.00 0.80 H new ATOM 0 HB THR A 58 -17.632 4.167 -4.545 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.605 5.259 -5.213 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.716 3.893 -3.258 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.282 3.870 -2.203 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.301 5.326 -2.289 1.00 1.28 H new ATOM 893 N PHE A 59 -15.550 5.261 -1.513 1.00 0.65 N ATOM 894 CA PHE A 59 -14.551 4.501 -0.763 1.00 0.64 C ATOM 895 C PHE A 59 -15.208 3.394 0.047 1.00 0.73 C ATOM 896 O PHE A 59 -16.003 3.663 0.951 1.00 0.83 O ATOM 897 CB PHE A 59 -13.764 5.413 0.184 1.00 0.64 C ATOM 898 CG PHE A 59 -12.473 5.936 -0.379 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.447 6.650 -1.563 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.281 5.715 0.291 1.00 0.75 C ATOM 901 CE1 PHE A 59 -11.255 7.136 -2.069 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.088 6.201 -0.207 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.075 6.911 -1.390 1.00 0.70 C ATOM 0 H PHE A 59 -15.977 6.025 -0.990 1.00 0.65 H new ATOM 0 HA PHE A 59 -13.867 4.061 -1.488 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.394 6.259 0.459 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.549 4.864 1.101 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -13.367 6.830 -2.098 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.285 5.155 1.215 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -11.248 7.691 -2.995 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.167 6.026 0.329 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.143 7.290 -1.784 1.00 0.70 H new ATOM 913 N LEU A 60 -14.878 2.154 -0.282 1.00 0.85 N ATOM 914 CA LEU A 60 -15.378 1.010 0.464 1.00 1.00 C ATOM 915 C LEU A 60 -14.254 0.336 1.238 1.00 1.96 C ATOM 916 O LEU A 60 -13.539 -0.519 0.704 1.00 2.78 O ATOM 917 CB LEU A 60 -16.058 -0.008 -0.461 1.00 1.51 C ATOM 918 CG LEU A 60 -17.562 0.194 -0.668 1.00 2.10 C ATOM 919 CD1 LEU A 60 -17.845 1.513 -1.370 1.00 2.68 C ATOM 920 CD2 LEU A 60 -18.143 -0.968 -1.457 1.00 3.00 C ATOM 0 H LEU A 60 -14.265 1.915 -1.062 1.00 0.85 H new ATOM 0 HA LEU A 60 -16.121 1.382 1.170 1.00 1.00 H new ATOM 0 HB2 LEU A 60 -15.567 0.026 -1.434 1.00 1.51 H new ATOM 0 HB3 LEU A 60 -15.895 -1.007 -0.056 1.00 1.51 H new ATOM 0 HG LEU A 60 -18.041 0.228 0.311 1.00 2.10 H new ATOM 0 HD11 LEU A 60 -18.920 1.630 -1.504 1.00 2.68 H new ATOM 0 HD12 LEU A 60 -17.463 2.336 -0.766 1.00 2.68 H new ATOM 0 HD13 LEU A 60 -17.355 1.519 -2.344 1.00 2.68 H new ATOM 0 HD21 LEU A 60 -19.213 -0.813 -1.598 1.00 3.00 H new ATOM 0 HD22 LEU A 60 -17.654 -1.028 -2.429 1.00 3.00 H new ATOM 0 HD23 LEU A 60 -17.980 -1.897 -0.910 1.00 3.00 H new ATOM 932 N ASP A 61 -14.076 0.746 2.488 1.00 2.55 N ATOM 933 CA ASP A 61 -13.109 0.097 3.366 1.00 3.74 C ATOM 934 C ASP A 61 -13.663 -1.243 3.828 1.00 3.82 C ATOM 935 O ASP A 61 -12.931 -2.226 3.965 1.00 3.97 O ATOM 936 CB ASP A 61 -12.781 0.976 4.576 1.00 4.77 C ATOM 937 CG ASP A 61 -11.681 0.380 5.432 1.00 5.89 C ATOM 938 OD1 ASP A 61 -10.531 0.290 4.947 1.00 6.48 O ATOM 939 OD2 ASP A 61 -11.963 -0.024 6.575 1.00 6.37 O ATOM 0 H ASP A 61 -14.585 1.520 2.915 1.00 2.55 H new ATOM 0 HA ASP A 61 -12.186 -0.060 2.808 1.00 3.74 H new ATOM 0 HB2 ASP A 61 -12.477 1.965 4.233 1.00 4.77 H new ATOM 0 HB3 ASP A 61 -13.678 1.109 5.180 1.00 4.77 H new ATOM 944 N THR A 62 -14.969 -1.266 4.055 1.00 4.12 N ATOM 945 CA THR A 62 -15.684 -2.488 4.372 1.00 4.33 C ATOM 946 C THR A 62 -16.780 -2.732 3.333 1.00 4.42 C ATOM 947 O THR A 62 -17.840 -2.103 3.379 1.00 4.82 O ATOM 948 CB THR A 62 -16.314 -2.415 5.779 1.00 5.07 C ATOM 949 OG1 THR A 62 -17.080 -1.211 5.908 1.00 5.52 O ATOM 950 CG2 THR A 62 -15.245 -2.460 6.860 1.00 5.57 C ATOM 0 H THR A 62 -15.560 -0.436 4.024 1.00 4.12 H new ATOM 0 HA THR A 62 -14.971 -3.312 4.356 1.00 4.33 H new ATOM 0 HB THR A 62 -16.966 -3.279 5.905 1.00 5.07 H new ATOM 0 HG1 THR A 62 -17.590 -1.058 5.085 1.00 5.52 H new ATOM 0 HG21 THR A 62 -15.717 -2.407 7.841 1.00 5.57 H new ATOM 0 HG22 THR A 62 -14.683 -3.390 6.778 1.00 5.57 H new ATOM 0 HG23 THR A 62 -14.568 -1.615 6.737 1.00 5.57 H new ATOM 958 N PRO A 63 -16.528 -3.621 2.361 1.00 4.51 N ATOM 959 CA PRO A 63 -17.483 -3.912 1.285 1.00 5.03 C ATOM 960 C PRO A 63 -18.659 -4.764 1.759 1.00 5.20 C ATOM 961 O PRO A 63 -19.704 -4.824 1.107 1.00 5.77 O ATOM 962 CB PRO A 63 -16.642 -4.680 0.266 1.00 5.50 C ATOM 963 CG PRO A 63 -15.563 -5.328 1.066 1.00 5.27 C ATOM 964 CD PRO A 63 -15.286 -4.408 2.227 1.00 4.66 C ATOM 0 HA PRO A 63 -17.937 -3.004 0.888 1.00 5.03 H new ATOM 0 HB2 PRO A 63 -17.242 -5.422 -0.262 1.00 5.50 H new ATOM 0 HB3 PRO A 63 -16.227 -4.011 -0.488 1.00 5.50 H new ATOM 0 HG2 PRO A 63 -15.876 -6.312 1.416 1.00 5.27 H new ATOM 0 HG3 PRO A 63 -14.667 -5.474 0.463 1.00 5.27 H new ATOM 0 HD2 PRO A 63 -15.067 -4.967 3.137 1.00 4.66 H new ATOM 0 HD3 PRO A 63 -14.426 -3.767 2.033 1.00 4.66 H new ATOM 972 N GLY A 64 -18.480 -5.415 2.898 1.00 5.00 N ATOM 973 CA GLY A 64 -19.509 -6.278 3.435 1.00 5.40 C ATOM 974 C GLY A 64 -18.963 -7.654 3.736 1.00 5.25 C ATOM 975 O GLY A 64 -18.477 -7.911 4.838 1.00 5.54 O ATOM 0 H GLY A 64 -17.633 -5.360 3.464 1.00 5.00 H new ATOM 0 HA2 GLY A 64 -19.918 -5.839 4.345 1.00 5.40 H new ATOM 0 HA3 GLY A 64 -20.330 -6.357 2.722 1.00 5.40 H new ATOM 979 N HIS A 65 -19.035 -8.538 2.754 1.00 5.14 N ATOM 980 CA HIS A 65 -18.429 -9.857 2.872 1.00 5.24 C ATOM 981 C HIS A 65 -17.946 -10.332 1.506 1.00 4.67 C ATOM 982 O HIS A 65 -17.003 -11.117 1.404 1.00 4.91 O ATOM 983 CB HIS A 65 -19.422 -10.859 3.469 1.00 5.90 C ATOM 984 CG HIS A 65 -18.794 -12.159 3.871 1.00 6.66 C ATOM 985 ND1 HIS A 65 -19.467 -13.359 3.848 1.00 7.35 N ATOM 986 CD2 HIS A 65 -17.548 -12.439 4.320 1.00 7.14 C ATOM 987 CE1 HIS A 65 -18.666 -14.318 4.265 1.00 8.09 C ATOM 988 NE2 HIS A 65 -17.494 -13.790 4.557 1.00 7.99 N ATOM 0 H HIS A 65 -19.507 -8.367 1.866 1.00 5.14 H new ATOM 0 HA HIS A 65 -17.573 -9.788 3.544 1.00 5.24 H new ATOM 0 HB2 HIS A 65 -19.898 -10.410 4.341 1.00 5.90 H new ATOM 0 HB3 HIS A 65 -20.209 -11.055 2.741 1.00 5.90 H new ATOM 0 HD2 HIS A 65 -16.745 -11.731 4.465 1.00 7.14 H new ATOM 0 HE1 HIS A 65 -18.926 -15.363 4.353 1.00 8.09 H new ATOM 0 HE2 HIS A 65 -16.681 -14.301 4.902 1.00 7.99 H new ATOM 997 N GLU A 66 -18.613 -9.859 0.464 1.00 4.31 N ATOM 998 CA GLU A 66 -18.208 -10.150 -0.902 1.00 4.06 C ATOM 999 C GLU A 66 -16.880 -9.462 -1.196 1.00 3.33 C ATOM 1000 O GLU A 66 -16.747 -8.249 -1.020 1.00 3.69 O ATOM 1001 CB GLU A 66 -19.274 -9.680 -1.902 1.00 4.70 C ATOM 1002 CG GLU A 66 -20.707 -9.977 -1.478 1.00 5.39 C ATOM 1003 CD GLU A 66 -21.304 -8.869 -0.631 1.00 5.92 C ATOM 1004 OE1 GLU A 66 -20.990 -8.810 0.576 1.00 6.36 O ATOM 1005 OE2 GLU A 66 -22.098 -8.064 -1.164 1.00 6.21 O ATOM 0 H GLU A 66 -19.441 -9.269 0.540 1.00 4.31 H new ATOM 0 HA GLU A 66 -18.094 -11.229 -1.009 1.00 4.06 H new ATOM 0 HB2 GLU A 66 -19.167 -8.606 -2.051 1.00 4.70 H new ATOM 0 HB3 GLU A 66 -19.087 -10.155 -2.865 1.00 4.70 H new ATOM 0 HG2 GLU A 66 -21.322 -10.123 -2.366 1.00 5.39 H new ATOM 0 HG3 GLU A 66 -20.730 -10.911 -0.917 1.00 5.39 H new ATOM 1012 N ALA A 67 -15.905 -10.234 -1.639 1.00 2.88 N ATOM 1013 CA ALA A 67 -14.564 -9.718 -1.847 1.00 2.74 C ATOM 1014 C ALA A 67 -14.414 -9.142 -3.247 1.00 2.07 C ATOM 1015 O ALA A 67 -14.428 -9.881 -4.234 1.00 2.63 O ATOM 1016 CB ALA A 67 -13.532 -10.809 -1.600 1.00 3.51 C ATOM 0 H ALA A 67 -16.017 -11.223 -1.862 1.00 2.88 H new ATOM 0 HA ALA A 67 -14.393 -8.912 -1.133 1.00 2.74 H new ATOM 0 HB1 ALA A 67 -12.532 -10.407 -1.760 1.00 3.51 H new ATOM 0 HB2 ALA A 67 -13.619 -11.167 -0.574 1.00 3.51 H new ATOM 0 HB3 ALA A 67 -13.705 -11.636 -2.289 1.00 3.51 H new ATOM 1022 N PHE A 68 -14.290 -7.818 -3.315 1.00 1.52 N ATOM 1023 CA PHE A 68 -14.036 -7.111 -4.568 1.00 1.22 C ATOM 1024 C PHE A 68 -15.214 -7.261 -5.538 1.00 1.89 C ATOM 1025 O PHE A 68 -15.062 -7.772 -6.649 1.00 2.61 O ATOM 1026 CB PHE A 68 -12.719 -7.603 -5.195 1.00 1.13 C ATOM 1027 CG PHE A 68 -12.296 -6.857 -6.429 1.00 0.93 C ATOM 1028 CD1 PHE A 68 -12.370 -5.475 -6.486 1.00 1.43 C ATOM 1029 CD2 PHE A 68 -11.823 -7.546 -7.535 1.00 0.87 C ATOM 1030 CE1 PHE A 68 -11.986 -4.793 -7.622 1.00 1.62 C ATOM 1031 CE2 PHE A 68 -11.434 -6.868 -8.675 1.00 1.14 C ATOM 1032 CZ PHE A 68 -11.518 -5.489 -8.718 1.00 1.40 C ATOM 0 H PHE A 68 -14.363 -7.205 -2.503 1.00 1.52 H new ATOM 0 HA PHE A 68 -13.934 -6.047 -4.353 1.00 1.22 H new ATOM 0 HB2 PHE A 68 -11.927 -7.526 -4.451 1.00 1.13 H new ATOM 0 HB3 PHE A 68 -12.822 -8.659 -5.443 1.00 1.13 H new ATOM 0 HD1 PHE A 68 -12.733 -4.925 -5.631 1.00 1.43 H new ATOM 0 HD2 PHE A 68 -11.758 -8.624 -7.506 1.00 0.87 H new ATOM 0 HE1 PHE A 68 -12.052 -3.715 -7.654 1.00 1.62 H new ATOM 0 HE2 PHE A 68 -11.065 -7.415 -9.530 1.00 1.14 H new ATOM 0 HZ PHE A 68 -11.218 -4.957 -9.608 1.00 1.40 H new ATOM 1042 N THR A 69 -16.390 -6.815 -5.086 1.00 2.35 N ATOM 1043 CA THR A 69 -17.610 -6.760 -5.903 1.00 3.23 C ATOM 1044 C THR A 69 -17.967 -8.115 -6.514 1.00 3.47 C ATOM 1045 O THR A 69 -17.479 -9.164 -6.090 1.00 3.95 O ATOM 1046 CB THR A 69 -17.496 -5.710 -7.041 1.00 4.06 C ATOM 1047 OG1 THR A 69 -16.577 -6.150 -8.052 1.00 4.44 O ATOM 1048 CG2 THR A 69 -17.047 -4.363 -6.494 1.00 4.74 C ATOM 0 H THR A 69 -16.525 -6.478 -4.133 1.00 2.35 H new ATOM 0 HA THR A 69 -18.406 -6.466 -5.218 1.00 3.23 H new ATOM 0 HB THR A 69 -18.485 -5.598 -7.486 1.00 4.06 H new ATOM 0 HG1 THR A 69 -16.201 -7.018 -7.796 1.00 4.44 H new ATOM 0 HG21 THR A 69 -16.975 -3.645 -7.311 1.00 4.74 H new ATOM 0 HG22 THR A 69 -17.772 -4.008 -5.761 1.00 4.74 H new ATOM 0 HG23 THR A 69 -16.072 -4.470 -6.018 1.00 4.74 H new ATOM 1056 N THR A 70 -18.862 -8.081 -7.491 1.00 3.68 N ATOM 1057 CA THR A 70 -19.231 -9.261 -8.247 1.00 4.33 C ATOM 1058 C THR A 70 -18.918 -9.028 -9.726 1.00 4.42 C ATOM 1059 O THR A 70 -19.681 -9.423 -10.607 1.00 5.01 O ATOM 1060 CB THR A 70 -20.731 -9.580 -8.079 1.00 5.25 C ATOM 1061 OG1 THR A 70 -21.135 -9.320 -6.728 1.00 5.60 O ATOM 1062 CG2 THR A 70 -21.022 -11.035 -8.413 1.00 5.89 C ATOM 0 H THR A 70 -19.351 -7.233 -7.779 1.00 3.68 H new ATOM 0 HA THR A 70 -18.658 -10.109 -7.872 1.00 4.33 H new ATOM 0 HB THR A 70 -21.290 -8.944 -8.766 1.00 5.25 H new ATOM 0 HG1 THR A 70 -22.089 -9.522 -6.627 1.00 5.60 H new ATOM 0 HG21 THR A 70 -22.087 -11.232 -8.286 1.00 5.89 H new ATOM 0 HG22 THR A 70 -20.737 -11.235 -9.446 1.00 5.89 H new ATOM 0 HG23 THR A 70 -20.451 -11.682 -7.747 1.00 5.89 H new ATOM 1070 N MET A 71 -17.797 -8.350 -9.979 1.00 4.24 N ATOM 1071 CA MET A 71 -17.366 -8.018 -11.339 1.00 4.73 C ATOM 1072 C MET A 71 -18.412 -7.149 -12.034 1.00 5.29 C ATOM 1073 O MET A 71 -18.786 -7.396 -13.187 1.00 5.64 O ATOM 1074 CB MET A 71 -17.090 -9.291 -12.152 1.00 4.83 C ATOM 1075 CG MET A 71 -15.988 -10.162 -11.570 1.00 4.67 C ATOM 1076 SD MET A 71 -14.415 -9.294 -11.431 1.00 4.68 S ATOM 1077 CE MET A 71 -13.394 -10.570 -10.699 1.00 4.52 C ATOM 0 H MET A 71 -17.165 -8.017 -9.251 1.00 4.24 H new ATOM 0 HA MET A 71 -16.437 -7.452 -11.274 1.00 4.73 H new ATOM 0 HB2 MET A 71 -18.007 -9.876 -12.216 1.00 4.83 H new ATOM 0 HB3 MET A 71 -16.819 -9.010 -13.170 1.00 4.83 H new ATOM 0 HG2 MET A 71 -16.292 -10.515 -10.584 1.00 4.67 H new ATOM 0 HG3 MET A 71 -15.858 -11.043 -12.198 1.00 4.67 H new ATOM 0 HE1 MET A 71 -12.417 -10.156 -10.451 1.00 4.52 H new ATOM 0 HE2 MET A 71 -13.871 -10.942 -9.792 1.00 4.52 H new ATOM 0 HE3 MET A 71 -13.272 -11.389 -11.407 1.00 4.52 H new ATOM 1087 N ARG A 72 -18.870 -6.128 -11.306 1.00 5.68 N ATOM 1088 CA ARG A 72 -19.895 -5.196 -11.777 1.00 6.44 C ATOM 1089 C ARG A 72 -21.245 -5.886 -11.975 1.00 6.64 C ATOM 1090 O ARG A 72 -22.144 -5.745 -11.145 1.00 7.15 O ATOM 1091 CB ARG A 72 -19.447 -4.481 -13.060 1.00 7.03 C ATOM 1092 CG ARG A 72 -18.378 -3.426 -12.814 1.00 7.56 C ATOM 1093 CD ARG A 72 -18.939 -2.247 -12.034 1.00 8.19 C ATOM 1094 NE ARG A 72 -17.888 -1.425 -11.440 1.00 8.54 N ATOM 1095 CZ ARG A 72 -17.774 -0.111 -11.614 1.00 9.20 C ATOM 1096 NH1 ARG A 72 -18.597 0.545 -12.424 1.00 9.56 N ATOM 1097 NH2 ARG A 72 -16.822 0.556 -10.980 1.00 9.71 N ATOM 0 H ARG A 72 -18.536 -5.924 -10.364 1.00 5.68 H new ATOM 0 HA ARG A 72 -20.027 -4.443 -11.000 1.00 6.44 H new ATOM 0 HB2 ARG A 72 -19.065 -5.219 -13.765 1.00 7.03 H new ATOM 0 HB3 ARG A 72 -20.312 -4.011 -13.528 1.00 7.03 H new ATOM 0 HG2 ARG A 72 -17.547 -3.868 -12.264 1.00 7.56 H new ATOM 0 HG3 ARG A 72 -17.980 -3.079 -13.767 1.00 7.56 H new ATOM 0 HD2 ARG A 72 -19.547 -1.632 -12.697 1.00 8.19 H new ATOM 0 HD3 ARG A 72 -19.598 -2.615 -11.247 1.00 8.19 H new ATOM 0 HE ARG A 72 -17.195 -1.889 -10.853 1.00 8.54 H new ATOM 0 HH11 ARG A 72 -19.330 0.041 -12.924 1.00 9.56 H new ATOM 0 HH12 ARG A 72 -18.496 1.553 -12.546 1.00 9.56 H new ATOM 0 HH21 ARG A 72 -16.179 0.062 -10.361 1.00 9.71 H new ATOM 0 HH22 ARG A 72 -16.731 1.564 -11.111 1.00 9.71 H new ATOM 1111 N ALA A 73 -21.385 -6.636 -13.059 1.00 6.52 N ATOM 1112 CA ALA A 73 -22.640 -7.319 -13.352 1.00 6.92 C ATOM 1113 C ALA A 73 -22.401 -8.684 -13.989 1.00 6.65 C ATOM 1114 O ALA A 73 -23.331 -9.484 -14.127 1.00 6.71 O ATOM 1115 CB ALA A 73 -23.506 -6.456 -14.258 1.00 7.52 C ATOM 0 H ALA A 73 -20.649 -6.788 -13.749 1.00 6.52 H new ATOM 0 HA ALA A 73 -23.161 -7.482 -12.408 1.00 6.92 H new ATOM 0 HB1 ALA A 73 -24.440 -6.975 -14.471 1.00 7.52 H new ATOM 0 HB2 ALA A 73 -23.721 -5.510 -13.762 1.00 7.52 H new ATOM 0 HB3 ALA A 73 -22.977 -6.264 -15.192 1.00 7.52 H new ATOM 1121 N ARG A 74 -21.155 -8.956 -14.360 1.00 6.69 N ATOM 1122 CA ARG A 74 -20.799 -10.219 -15.003 1.00 6.76 C ATOM 1123 C ARG A 74 -19.285 -10.371 -15.063 1.00 6.62 C ATOM 1124 O ARG A 74 -18.723 -11.326 -14.532 1.00 6.89 O ATOM 1125 CB ARG A 74 -21.378 -10.312 -16.424 1.00 7.36 C ATOM 1126 CG ARG A 74 -21.036 -11.615 -17.138 1.00 7.67 C ATOM 1127 CD ARG A 74 -21.478 -11.603 -18.593 1.00 8.48 C ATOM 1128 NE ARG A 74 -22.930 -11.506 -18.743 1.00 8.99 N ATOM 1129 CZ ARG A 74 -23.582 -11.806 -19.869 1.00 9.80 C ATOM 1130 NH1 ARG A 74 -22.923 -12.288 -20.915 1.00 10.19 N ATOM 1131 NH2 ARG A 74 -24.898 -11.646 -19.942 1.00 10.42 N ATOM 0 H ARG A 74 -20.371 -8.317 -14.227 1.00 6.69 H new ATOM 0 HA ARG A 74 -21.226 -11.024 -14.404 1.00 6.76 H new ATOM 0 HB2 ARG A 74 -22.462 -10.209 -16.373 1.00 7.36 H new ATOM 0 HB3 ARG A 74 -21.006 -9.475 -17.015 1.00 7.36 H new ATOM 0 HG2 ARG A 74 -19.960 -11.784 -17.088 1.00 7.67 H new ATOM 0 HG3 ARG A 74 -21.514 -12.447 -16.621 1.00 7.67 H new ATOM 0 HD2 ARG A 74 -21.007 -10.763 -19.104 1.00 8.48 H new ATOM 0 HD3 ARG A 74 -21.127 -12.511 -19.082 1.00 8.48 H new ATOM 0 HE ARG A 74 -23.476 -11.191 -17.941 1.00 8.99 H new ATOM 0 HH11 ARG A 74 -21.914 -12.431 -20.861 1.00 10.19 H new ATOM 0 HH12 ARG A 74 -23.425 -12.516 -21.773 1.00 10.19 H new ATOM 0 HH21 ARG A 74 -25.414 -11.293 -19.136 1.00 10.42 H new ATOM 0 HH22 ARG A 74 -25.393 -11.876 -20.804 1.00 10.42 H new ATOM 1145 N GLY A 75 -18.637 -9.415 -15.711 1.00 6.47 N ATOM 1146 CA GLY A 75 -17.197 -9.447 -15.844 1.00 6.51 C ATOM 1147 C GLY A 75 -16.752 -9.009 -17.218 1.00 6.34 C ATOM 1148 O GLY A 75 -16.312 -9.826 -18.026 1.00 6.75 O ATOM 0 H GLY A 75 -19.088 -8.612 -16.150 1.00 6.47 H new ATOM 0 HA2 GLY A 75 -16.748 -8.798 -15.092 1.00 6.51 H new ATOM 0 HA3 GLY A 75 -16.836 -10.457 -15.650 1.00 6.51 H new ATOM 1152 N ALA A 76 -16.883 -7.718 -17.494 1.00 6.08 N ATOM 1153 CA ALA A 76 -16.504 -7.173 -18.790 1.00 6.24 C ATOM 1154 C ALA A 76 -15.633 -5.936 -18.616 1.00 5.83 C ATOM 1155 O ALA A 76 -14.407 -6.021 -18.628 1.00 6.16 O ATOM 1156 CB ALA A 76 -17.739 -6.853 -19.621 1.00 6.69 C ATOM 0 H ALA A 76 -17.249 -7.029 -16.837 1.00 6.08 H new ATOM 0 HA ALA A 76 -15.924 -7.926 -19.323 1.00 6.24 H new ATOM 0 HB1 ALA A 76 -17.433 -6.447 -20.585 1.00 6.69 H new ATOM 0 HB2 ALA A 76 -18.318 -7.763 -19.777 1.00 6.69 H new ATOM 0 HB3 ALA A 76 -18.351 -6.119 -19.096 1.00 6.69 H new ATOM 1162 N GLN A 77 -16.268 -4.788 -18.436 1.00 5.40 N ATOM 1163 CA GLN A 77 -15.537 -3.565 -18.169 1.00 5.18 C ATOM 1164 C GLN A 77 -15.394 -3.368 -16.672 1.00 4.21 C ATOM 1165 O GLN A 77 -16.360 -3.533 -15.924 1.00 4.21 O ATOM 1166 CB GLN A 77 -16.235 -2.354 -18.792 1.00 5.87 C ATOM 1167 CG GLN A 77 -16.377 -2.411 -20.309 1.00 6.56 C ATOM 1168 CD GLN A 77 -15.059 -2.308 -21.069 1.00 7.26 C ATOM 1169 OE1 GLN A 77 -13.993 -2.878 -20.529 1.00 7.65 O flip ATOM 1170 NE2 GLN A 77 -15.012 -1.743 -22.161 1.00 7.72 N flip ATOM 0 H GLN A 77 -17.282 -4.680 -18.470 1.00 5.40 H new ATOM 0 HA GLN A 77 -14.549 -3.653 -18.621 1.00 5.18 H new ATOM 0 HB2 GLN A 77 -17.227 -2.257 -18.351 1.00 5.87 H new ATOM 0 HB3 GLN A 77 -15.679 -1.455 -18.526 1.00 5.87 H new ATOM 0 HG2 GLN A 77 -16.867 -3.346 -20.581 1.00 6.56 H new ATOM 0 HG3 GLN A 77 -17.032 -1.602 -20.631 1.00 6.56 H new ATOM 0 HE21 GLN A 77 -15.852 -1.314 -22.550 1.00 7.72 H new ATOM 0 HE22 GLN A 77 -14.133 -1.704 -22.678 1.00 7.72 H new ATOM 1179 N VAL A 78 -14.195 -3.033 -16.242 1.00 3.82 N ATOM 1180 CA VAL A 78 -13.926 -2.812 -14.838 1.00 3.25 C ATOM 1181 C VAL A 78 -13.599 -1.340 -14.604 1.00 3.06 C ATOM 1182 O VAL A 78 -13.062 -0.670 -15.485 1.00 3.67 O ATOM 1183 CB VAL A 78 -12.769 -3.715 -14.342 1.00 3.79 C ATOM 1184 CG1 VAL A 78 -11.472 -3.395 -15.069 1.00 4.27 C ATOM 1185 CG2 VAL A 78 -12.587 -3.599 -12.835 1.00 4.38 C ATOM 0 H VAL A 78 -13.386 -2.907 -16.851 1.00 3.82 H new ATOM 0 HA VAL A 78 -14.816 -3.075 -14.267 1.00 3.25 H new ATOM 0 HB VAL A 78 -13.037 -4.747 -14.570 1.00 3.79 H new ATOM 0 HG11 VAL A 78 -10.678 -4.044 -14.700 1.00 4.27 H new ATOM 0 HG12 VAL A 78 -11.605 -3.557 -16.139 1.00 4.27 H new ATOM 0 HG13 VAL A 78 -11.202 -2.354 -14.890 1.00 4.27 H new ATOM 0 HG21 VAL A 78 -11.768 -4.244 -12.517 1.00 4.38 H new ATOM 0 HG22 VAL A 78 -12.357 -2.566 -12.575 1.00 4.38 H new ATOM 0 HG23 VAL A 78 -13.505 -3.904 -12.333 1.00 4.38 H new ATOM 1195 N THR A 79 -13.991 -0.829 -13.454 1.00 2.63 N ATOM 1196 CA THR A 79 -13.647 0.525 -13.047 1.00 2.70 C ATOM 1197 C THR A 79 -13.618 0.568 -11.525 1.00 1.92 C ATOM 1198 O THR A 79 -13.936 1.573 -10.888 1.00 2.39 O ATOM 1199 CB THR A 79 -14.653 1.566 -13.601 1.00 3.62 C ATOM 1200 OG1 THR A 79 -14.961 1.266 -14.970 1.00 4.18 O ATOM 1201 CG2 THR A 79 -14.081 2.976 -13.527 1.00 4.13 C ATOM 0 H THR A 79 -14.556 -1.337 -12.774 1.00 2.63 H new ATOM 0 HA THR A 79 -12.670 0.785 -13.455 1.00 2.70 H new ATOM 0 HB THR A 79 -15.555 1.516 -12.991 1.00 3.62 H new ATOM 0 HG1 THR A 79 -15.598 1.926 -15.314 1.00 4.18 H new ATOM 0 HG21 THR A 79 -14.808 3.685 -13.922 1.00 4.13 H new ATOM 0 HG22 THR A 79 -13.859 3.225 -12.489 1.00 4.13 H new ATOM 0 HG23 THR A 79 -13.166 3.029 -14.116 1.00 4.13 H new ATOM 1209 N ASP A 80 -13.247 -0.568 -10.960 1.00 1.32 N ATOM 1210 CA ASP A 80 -13.270 -0.770 -9.525 1.00 1.15 C ATOM 1211 C ASP A 80 -11.859 -0.662 -8.975 1.00 0.93 C ATOM 1212 O ASP A 80 -11.086 -1.618 -8.999 1.00 1.30 O ATOM 1213 CB ASP A 80 -13.887 -2.132 -9.214 1.00 1.82 C ATOM 1214 CG ASP A 80 -15.232 -2.304 -9.900 1.00 2.56 C ATOM 1215 OD1 ASP A 80 -15.260 -2.651 -11.096 1.00 3.12 O ATOM 1216 OD2 ASP A 80 -16.273 -2.135 -9.229 1.00 3.06 O ATOM 0 H ASP A 80 -12.920 -1.378 -11.487 1.00 1.32 H new ATOM 0 HA ASP A 80 -13.879 -0.003 -9.047 1.00 1.15 H new ATOM 0 HB2 ASP A 80 -13.209 -2.922 -9.537 1.00 1.82 H new ATOM 0 HB3 ASP A 80 -14.011 -2.239 -8.136 1.00 1.82 H new ATOM 1221 N ILE A 81 -11.541 0.526 -8.496 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.185 0.885 -8.102 1.00 0.55 C ATOM 1223 C ILE A 81 -9.732 0.115 -6.869 1.00 0.47 C ATOM 1224 O ILE A 81 -10.416 0.119 -5.845 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.104 2.400 -7.829 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.576 3.168 -9.061 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.696 2.820 -7.444 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.807 2.808 -10.307 1.00 0.73 C ATOM 0 H ILE A 81 -12.219 1.277 -8.367 1.00 0.74 H new ATOM 0 HA ILE A 81 -9.519 0.620 -8.924 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.755 2.634 -6.987 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.635 2.969 -9.224 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.478 4.238 -8.876 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.675 3.894 -7.259 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.392 2.290 -6.541 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.009 2.578 -8.255 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -10.188 3.386 -11.149 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.751 3.033 -10.160 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.926 1.744 -10.513 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.583 -0.550 -6.963 1.00 0.32 N ATOM 1241 CA VAL A 82 -8.069 -1.298 -5.842 1.00 0.30 C ATOM 1242 C VAL A 82 -6.973 -0.531 -5.124 1.00 0.25 C ATOM 1243 O VAL A 82 -5.819 -0.544 -5.545 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.500 -2.646 -6.292 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.943 -3.395 -5.102 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.564 -3.463 -7.005 1.00 1.19 C ATOM 0 H VAL A 82 -8.002 -0.580 -7.801 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.906 -1.461 -5.163 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.688 -2.470 -6.998 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.540 -4.353 -5.431 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -6.150 -2.807 -4.641 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.737 -3.566 -4.375 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.141 -4.418 -7.317 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.400 -3.641 -6.329 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.915 -2.918 -7.881 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.322 0.135 -4.042 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.311 0.784 -3.230 1.00 0.25 C ATOM 1258 C ILE A 83 -5.757 -0.175 -2.215 1.00 0.27 C ATOM 1259 O ILE A 83 -6.395 -0.470 -1.213 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.812 2.021 -2.476 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -8.329 2.005 -2.305 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -6.350 3.284 -3.179 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.844 3.158 -1.473 1.00 1.32 C ATOM 0 H ILE A 83 -8.280 0.241 -3.708 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.548 1.109 -3.937 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.382 2.003 -1.475 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.800 2.035 -3.288 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.626 1.066 -1.838 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.712 4.156 -2.635 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.261 3.304 -3.213 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -6.745 3.300 -4.195 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.929 3.090 -1.389 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.399 3.116 -0.479 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -8.576 4.100 -1.951 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.569 -0.651 -2.470 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.925 -1.590 -1.580 1.00 0.27 C ATOM 1277 C LEU A 84 -3.070 -0.849 -0.556 1.00 0.27 C ATOM 1278 O LEU A 84 -2.078 -0.223 -0.921 1.00 0.31 O ATOM 1279 CB LEU A 84 -3.027 -2.521 -2.372 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.360 -3.596 -1.544 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.288 -4.783 -1.393 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -1.044 -3.980 -2.178 1.00 1.33 C ATOM 0 H LEU A 84 -4.020 -0.404 -3.293 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.699 -2.161 -1.068 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.617 -2.996 -3.156 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.257 -1.930 -2.867 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.149 -3.219 -0.543 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.800 -5.553 -0.795 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -4.206 -4.467 -0.898 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.527 -5.185 -2.377 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.564 -4.755 -1.580 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -1.222 -4.357 -3.185 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.395 -3.106 -2.227 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.430 -0.911 0.714 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.626 -0.246 1.729 1.00 0.28 C ATOM 1296 C VAL A 85 -1.484 -1.147 2.194 1.00 0.27 C ATOM 1297 O VAL A 85 -1.627 -2.370 2.288 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.463 0.215 2.947 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.804 -0.943 3.873 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.737 1.322 3.706 1.00 1.20 C ATOM 0 H VAL A 85 -4.253 -1.402 1.063 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.214 0.647 1.259 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.405 0.611 2.568 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.392 -0.575 4.714 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.381 -1.689 3.326 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.884 -1.396 4.243 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.340 1.634 4.559 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.775 0.951 4.058 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.578 2.173 3.044 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.347 -0.526 2.447 1.00 0.25 N ATOM 1311 CA VAL A 86 0.816 -1.199 2.984 1.00 0.27 C ATOM 1312 C VAL A 86 1.427 -0.316 4.054 1.00 0.24 C ATOM 1313 O VAL A 86 0.837 0.692 4.442 1.00 0.26 O ATOM 1314 CB VAL A 86 1.878 -1.506 1.900 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.340 -2.481 0.869 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.358 -0.233 1.227 1.00 0.95 C ATOM 0 H VAL A 86 -0.206 0.471 2.283 1.00 0.25 H new ATOM 0 HA VAL A 86 0.495 -2.156 3.396 1.00 0.27 H new ATOM 0 HB VAL A 86 2.730 -1.970 2.397 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.107 -2.678 0.120 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.064 -3.414 1.360 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.463 -2.052 0.385 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.103 -0.480 0.471 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.514 0.269 0.754 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.802 0.427 1.972 1.00 0.95 H new ATOM 1326 N ALA A 87 2.599 -0.669 4.534 1.00 0.28 N ATOM 1327 CA ALA A 87 3.238 0.130 5.560 1.00 0.32 C ATOM 1328 C ALA A 87 4.737 0.184 5.373 1.00 0.46 C ATOM 1329 O ALA A 87 5.372 -0.820 5.036 1.00 0.75 O ATOM 1330 CB ALA A 87 2.885 -0.393 6.933 1.00 0.42 C ATOM 0 H ALA A 87 3.124 -1.491 4.237 1.00 0.28 H new ATOM 0 HA ALA A 87 2.863 1.149 5.469 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.373 0.218 7.692 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.805 -0.350 7.072 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.222 -1.425 7.027 1.00 0.42 H new ATOM 1336 N ALA A 88 5.288 1.366 5.602 1.00 0.37 N ATOM 1337 CA ALA A 88 6.709 1.613 5.440 1.00 0.59 C ATOM 1338 C ALA A 88 7.495 1.092 6.627 1.00 0.53 C ATOM 1339 O ALA A 88 8.198 1.838 7.313 1.00 1.14 O ATOM 1340 CB ALA A 88 6.957 3.089 5.257 1.00 1.18 C ATOM 0 H ALA A 88 4.759 2.183 5.907 1.00 0.37 H new ATOM 0 HA ALA A 88 7.049 1.079 4.552 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.026 3.266 5.136 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.429 3.440 4.370 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.596 3.630 6.132 1.00 1.18 H new ATOM 1346 N ASP A 89 7.346 -0.191 6.856 1.00 0.56 N ATOM 1347 CA ASP A 89 8.074 -0.898 7.897 1.00 0.93 C ATOM 1348 C ASP A 89 7.961 -2.399 7.660 1.00 0.85 C ATOM 1349 O ASP A 89 8.893 -3.154 7.935 1.00 1.24 O ATOM 1350 CB ASP A 89 7.562 -0.538 9.305 1.00 1.44 C ATOM 1351 CG ASP A 89 6.161 -1.057 9.600 1.00 1.68 C ATOM 1352 OD1 ASP A 89 6.024 -2.233 9.998 1.00 2.01 O ATOM 1353 OD2 ASP A 89 5.186 -0.289 9.453 1.00 1.90 O ATOM 0 H ASP A 89 6.711 -0.785 6.323 1.00 0.56 H new ATOM 0 HA ASP A 89 9.119 -0.593 7.848 1.00 0.93 H new ATOM 0 HB2 ASP A 89 8.252 -0.940 10.046 1.00 1.44 H new ATOM 0 HB3 ASP A 89 7.569 0.546 9.418 1.00 1.44 H new ATOM 1358 N ASP A 90 6.818 -2.826 7.132 1.00 0.48 N ATOM 1359 CA ASP A 90 6.607 -4.232 6.818 1.00 0.46 C ATOM 1360 C ASP A 90 6.755 -4.483 5.333 1.00 0.45 C ATOM 1361 O ASP A 90 7.648 -5.204 4.888 1.00 0.69 O ATOM 1362 CB ASP A 90 5.213 -4.700 7.243 1.00 0.52 C ATOM 1363 CG ASP A 90 5.059 -6.201 7.093 1.00 0.74 C ATOM 1364 OD1 ASP A 90 4.652 -6.648 6.004 1.00 1.09 O ATOM 1365 OD2 ASP A 90 5.354 -6.935 8.055 1.00 0.93 O ATOM 0 H ASP A 90 6.027 -2.220 6.914 1.00 0.48 H new ATOM 0 HA ASP A 90 7.363 -4.791 7.370 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.034 -4.417 8.280 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.459 -4.194 6.640 1.00 0.52 H new ATOM 1370 N GLY A 91 5.871 -3.867 4.573 1.00 0.36 N ATOM 1371 CA GLY A 91 5.779 -4.141 3.159 1.00 0.36 C ATOM 1372 C GLY A 91 4.432 -4.730 2.811 1.00 0.35 C ATOM 1373 O GLY A 91 3.426 -4.028 2.817 1.00 0.52 O ATOM 0 H GLY A 91 5.207 -3.173 4.915 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.935 -3.221 2.595 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.569 -4.832 2.866 1.00 0.36 H new ATOM 1377 N VAL A 92 4.414 -6.019 2.532 1.00 0.38 N ATOM 1378 CA VAL A 92 3.212 -6.709 2.142 1.00 0.37 C ATOM 1379 C VAL A 92 3.021 -7.972 2.982 1.00 0.36 C ATOM 1380 O VAL A 92 3.820 -8.907 2.911 1.00 0.47 O ATOM 1381 CB VAL A 92 3.297 -7.079 0.659 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.232 -8.082 0.316 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.168 -5.844 -0.214 1.00 1.06 C ATOM 0 H VAL A 92 5.241 -6.615 2.571 1.00 0.38 H new ATOM 0 HA VAL A 92 2.358 -6.052 2.308 1.00 0.37 H new ATOM 0 HB VAL A 92 4.273 -7.525 0.469 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.301 -8.339 -0.741 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.371 -8.980 0.917 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.250 -7.655 0.523 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.231 -6.132 -1.263 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.207 -5.365 -0.027 1.00 1.06 H new ATOM 0 HG23 VAL A 92 3.973 -5.147 0.020 1.00 1.06 H new ATOM 1393 N MET A 93 1.968 -7.986 3.781 1.00 0.29 N ATOM 1394 CA MET A 93 1.629 -9.152 4.585 1.00 0.31 C ATOM 1395 C MET A 93 0.657 -10.051 3.810 1.00 0.31 C ATOM 1396 O MET A 93 0.218 -9.670 2.728 1.00 0.31 O ATOM 1397 CB MET A 93 1.045 -8.690 5.919 1.00 0.36 C ATOM 1398 CG MET A 93 2.069 -7.959 6.769 1.00 0.67 C ATOM 1399 SD MET A 93 1.507 -7.657 8.446 1.00 1.32 S ATOM 1400 CE MET A 93 1.106 -9.327 8.930 1.00 0.65 C ATOM 0 H MET A 93 1.329 -7.199 3.892 1.00 0.29 H new ATOM 0 HA MET A 93 2.522 -9.741 4.795 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.194 -8.035 5.734 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.669 -9.553 6.468 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.989 -8.543 6.800 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.311 -7.007 6.297 1.00 0.67 H new ATOM 0 HE1 MET A 93 1.152 -9.412 10.016 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.101 -9.573 8.589 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.821 -10.017 8.482 1.00 0.65 H new ATOM 1410 N PRO A 94 0.334 -11.263 4.326 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.574 -12.211 3.656 1.00 0.42 C ATOM 1412 C PRO A 94 -1.774 -11.546 2.981 1.00 0.39 C ATOM 1413 O PRO A 94 -1.951 -11.658 1.766 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.029 -13.100 4.808 1.00 0.52 C ATOM 1415 CG PRO A 94 0.147 -13.156 5.717 1.00 0.61 C ATOM 1416 CD PRO A 94 0.850 -11.828 5.592 1.00 0.46 C ATOM 0 HA PRO A 94 -0.078 -12.737 2.840 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.901 -12.683 5.311 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.308 -14.094 4.457 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.166 -13.333 6.746 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.812 -13.974 5.441 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.627 -11.178 6.438 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.933 -11.952 5.561 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.582 -10.848 3.773 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.766 -10.161 3.266 1.00 0.43 C ATOM 1426 C GLN A 95 -3.427 -9.217 2.114 1.00 0.36 C ATOM 1427 O GLN A 95 -4.209 -9.072 1.176 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.446 -9.371 4.387 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.683 -10.187 5.644 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.629 -9.504 6.615 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.702 -8.274 6.676 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.362 -10.296 7.383 1.00 1.47 N ATOM 0 H GLN A 95 -2.437 -10.743 4.777 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.445 -10.926 2.891 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.831 -8.506 4.635 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.401 -8.990 4.025 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.091 -11.160 5.369 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.729 -10.369 6.139 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.273 -11.309 7.303 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.015 -9.893 8.055 1.00 1.47 H new ATOM 1441 N THR A 96 -2.256 -8.595 2.178 1.00 0.33 N ATOM 1442 CA THR A 96 -1.847 -7.631 1.173 1.00 0.31 C ATOM 1443 C THR A 96 -1.682 -8.285 -0.212 1.00 0.29 C ATOM 1444 O THR A 96 -1.972 -7.666 -1.234 1.00 0.34 O ATOM 1445 CB THR A 96 -0.543 -6.936 1.591 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.606 -6.586 2.984 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.321 -5.682 0.767 1.00 0.46 C ATOM 0 H THR A 96 -1.573 -8.744 2.920 1.00 0.33 H new ATOM 0 HA THR A 96 -2.638 -6.885 1.096 1.00 0.31 H new ATOM 0 HB THR A 96 0.287 -7.622 1.420 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.954 -5.675 3.077 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.608 -5.203 1.077 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.258 -5.947 -0.289 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.153 -4.994 0.920 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.236 -9.542 -0.250 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.038 -10.233 -1.522 1.00 0.39 C ATOM 1457 C VAL A 97 -2.335 -10.886 -2.009 1.00 0.34 C ATOM 1458 O VAL A 97 -2.649 -10.852 -3.202 1.00 0.37 O ATOM 1459 CB VAL A 97 0.101 -11.277 -1.456 1.00 0.60 C ATOM 1460 CG1 VAL A 97 0.955 -11.087 -0.226 1.00 1.00 C ATOM 1461 CG2 VAL A 97 -0.424 -12.685 -1.534 1.00 1.05 C ATOM 0 H VAL A 97 -1.008 -10.096 0.576 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.740 -9.472 -2.243 1.00 0.39 H new ATOM 0 HB VAL A 97 0.731 -11.113 -2.330 1.00 0.60 H new ATOM 0 HG11 VAL A 97 1.745 -11.838 -0.212 1.00 1.00 H new ATOM 0 HG12 VAL A 97 1.400 -10.092 -0.242 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.337 -11.194 0.666 1.00 1.00 H new ATOM 0 HG21 VAL A 97 0.408 -13.387 -1.484 1.00 1.05 H new ATOM 0 HG22 VAL A 97 -1.102 -12.867 -0.701 1.00 1.05 H new ATOM 0 HG23 VAL A 97 -0.959 -12.822 -2.474 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.099 -11.447 -1.078 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.319 -12.170 -1.416 1.00 0.40 C ATOM 1473 C GLU A 98 -5.359 -11.233 -2.005 1.00 0.34 C ATOM 1474 O GLU A 98 -6.164 -11.625 -2.850 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.870 -12.861 -0.173 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.933 -13.913 0.392 1.00 0.72 C ATOM 1477 CD GLU A 98 -3.858 -15.154 -0.474 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -3.335 -15.075 -1.607 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.328 -16.218 -0.024 1.00 1.62 O ATOM 0 H GLU A 98 -2.893 -11.414 -0.079 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.080 -12.923 -2.168 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.069 -12.112 0.593 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.824 -13.328 -0.418 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -2.935 -13.487 0.496 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -4.267 -14.192 1.392 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.311 -9.981 -1.576 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.249 -8.976 -2.048 1.00 0.27 C ATOM 1488 C ALA A 99 -5.877 -8.517 -3.452 1.00 0.25 C ATOM 1489 O ALA A 99 -6.692 -7.950 -4.168 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.278 -7.796 -1.092 1.00 0.31 C ATOM 0 H ALA A 99 -4.630 -9.637 -0.899 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.245 -9.418 -2.085 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.984 -7.050 -1.456 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.587 -8.136 -0.104 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.284 -7.354 -1.029 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.641 -8.796 -3.839 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.114 -8.363 -5.123 1.00 0.24 C ATOM 1498 C ILE A 100 -4.301 -9.445 -6.183 1.00 0.28 C ATOM 1499 O ILE A 100 -4.731 -9.157 -7.296 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.634 -7.960 -4.959 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.497 -6.451 -5.126 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.704 -8.703 -5.913 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.118 -5.924 -4.806 1.00 0.38 C ATOM 0 H ILE A 100 -3.978 -9.327 -3.274 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.669 -7.491 -5.468 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.324 -8.248 -3.955 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.748 -6.184 -6.153 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.223 -5.956 -4.481 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.677 -8.376 -5.749 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.777 -9.775 -5.731 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -1.993 -8.490 -6.942 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -1.099 -4.843 -4.948 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.870 -6.158 -3.771 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.388 -6.390 -5.468 1.00 0.38 H new ATOM 1515 N ASN A 101 -3.976 -10.682 -5.833 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.296 -11.832 -6.653 1.00 0.38 C ATOM 1517 C ASN A 101 -5.780 -11.845 -6.977 1.00 0.37 C ATOM 1518 O ASN A 101 -6.194 -12.177 -8.087 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.927 -13.101 -5.895 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.563 -14.229 -6.819 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.399 -15.050 -7.198 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.301 -14.275 -7.184 1.00 1.55 N ATOM 0 H ASN A 101 -3.482 -10.912 -4.970 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.733 -11.780 -7.585 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.089 -12.894 -5.230 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.765 -13.404 -5.267 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.977 -15.014 -7.808 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.646 -13.572 -6.843 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.575 -11.463 -5.991 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.017 -11.402 -6.143 1.00 0.38 C ATOM 1531 C HIS A 102 -8.427 -10.188 -6.969 1.00 0.38 C ATOM 1532 O HIS A 102 -9.454 -10.211 -7.645 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.679 -11.344 -4.764 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.155 -11.580 -4.786 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.725 -12.792 -4.470 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.181 -10.750 -5.079 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.038 -12.701 -4.574 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.342 -11.468 -4.939 1.00 0.77 N ATOM 0 H HIS A 102 -6.240 -11.188 -5.068 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.348 -12.298 -6.668 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.213 -12.087 -4.117 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.484 -10.368 -4.320 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.102 -9.713 -5.370 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.743 -13.498 -4.392 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.284 -11.109 -5.092 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.630 -9.128 -6.922 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.022 -7.878 -7.557 1.00 0.38 C ATOM 1549 C ALA A 103 -7.507 -7.752 -8.986 1.00 0.40 C ATOM 1550 O ALA A 103 -8.284 -7.545 -9.912 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.538 -6.700 -6.735 1.00 0.43 C ATOM 0 H ALA A 103 -6.722 -9.108 -6.458 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.111 -7.879 -7.605 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.837 -5.771 -7.220 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -7.977 -6.747 -5.738 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.451 -6.734 -6.655 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.201 -7.914 -9.168 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.546 -7.537 -10.408 1.00 0.51 C ATOM 1559 C LYS A 104 -5.972 -8.423 -11.580 1.00 0.50 C ATOM 1560 O LYS A 104 -5.805 -8.050 -12.742 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.036 -7.588 -10.178 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.299 -8.662 -10.948 1.00 1.11 C ATOM 1563 CD LYS A 104 -1.963 -8.928 -10.296 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.059 -7.700 -10.344 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.678 -7.313 -11.733 1.00 2.56 N ATOM 0 H LYS A 104 -5.575 -8.307 -8.465 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.846 -6.526 -10.684 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.612 -6.619 -10.443 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.852 -7.736 -9.114 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -3.891 -9.577 -10.973 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.154 -8.348 -11.982 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.117 -9.227 -9.259 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -1.472 -9.762 -10.798 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -1.567 -6.863 -9.865 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -0.156 -7.897 -9.767 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.352 -7.399 -11.847 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.155 -7.941 -12.411 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.965 -6.329 -11.910 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.573 -9.563 -11.273 1.00 0.51 N ATOM 1580 CA ALA A 105 -6.938 -10.531 -12.300 1.00 0.61 C ATOM 1581 C ALA A 105 -8.237 -10.161 -13.009 1.00 0.66 C ATOM 1582 O ALA A 105 -8.799 -10.961 -13.761 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.032 -11.927 -11.701 1.00 0.72 C ATOM 0 H ALA A 105 -6.819 -9.841 -10.323 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.150 -10.518 -13.053 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.305 -12.639 -12.479 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.068 -12.206 -11.276 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.790 -11.937 -10.918 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.716 -8.954 -12.768 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.866 -8.441 -13.481 1.00 0.70 C ATOM 1591 C ALA A 106 -9.409 -7.369 -14.454 1.00 0.72 C ATOM 1592 O ALA A 106 -10.227 -6.712 -15.093 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.912 -7.899 -12.519 1.00 0.75 C ATOM 0 H ALA A 106 -8.323 -8.311 -12.081 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.334 -9.253 -14.037 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.764 -7.521 -13.084 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.243 -8.697 -11.854 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.480 -7.091 -11.929 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.077 -7.188 -14.518 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.443 -6.253 -15.449 1.00 0.73 C ATOM 1601 C ASN A 107 -7.538 -4.847 -14.875 1.00 0.67 C ATOM 1602 O ASN A 107 -7.373 -3.832 -15.549 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.053 -6.389 -16.846 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.634 -5.313 -17.838 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -8.357 -4.339 -18.057 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -6.466 -5.469 -18.439 1.00 2.06 N ATOM 0 H ASN A 107 -7.416 -7.688 -13.924 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.385 -6.485 -15.568 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -7.780 -7.363 -17.252 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.139 -6.375 -16.755 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -6.139 -4.771 -19.107 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -5.892 -6.287 -18.234 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.767 -4.818 -13.579 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.871 -3.573 -12.843 1.00 0.49 C ATOM 1615 C VAL A 108 -6.538 -3.223 -12.199 1.00 0.40 C ATOM 1616 O VAL A 108 -5.808 -4.104 -11.741 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.968 -3.634 -11.755 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.256 -5.067 -11.353 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.544 -2.838 -10.540 1.00 1.08 C ATOM 0 H VAL A 108 -7.886 -5.654 -13.006 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.147 -2.800 -13.560 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.878 -3.202 -12.170 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.031 -5.081 -10.587 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.596 -5.628 -12.224 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.348 -5.524 -10.959 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.325 -2.889 -9.781 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.620 -3.253 -10.138 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.382 -1.798 -10.825 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.204 -1.931 -12.179 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.009 -1.436 -11.522 1.00 0.35 C ATOM 1631 C PRO A 109 -5.085 -1.437 -10.002 1.00 0.30 C ATOM 1632 O PRO A 109 -6.152 -1.262 -9.384 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.874 0.001 -11.999 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.872 0.171 -13.083 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.941 -0.853 -12.840 1.00 0.48 C ATOM 0 HA PRO A 109 -4.168 -2.083 -11.771 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.061 0.701 -11.185 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.866 0.197 -12.363 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.289 1.178 -13.072 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.412 0.027 -14.061 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.741 -0.463 -12.210 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.401 -1.187 -13.770 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.913 -1.563 -9.425 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.748 -1.614 -7.986 1.00 0.25 C ATOM 1645 C ILE A 110 -2.979 -0.389 -7.516 1.00 0.23 C ATOM 1646 O ILE A 110 -2.077 0.097 -8.202 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.019 -2.913 -7.536 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.012 -4.063 -7.345 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.221 -2.702 -6.252 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.665 -4.541 -8.617 1.00 0.96 C ATOM 0 H ILE A 110 -3.037 -1.634 -9.943 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.739 -1.621 -7.532 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.321 -3.174 -8.331 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.493 -4.901 -6.880 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.789 -3.744 -6.650 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.728 -3.633 -5.973 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.471 -1.928 -6.413 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.894 -2.394 -5.452 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.352 -5.356 -8.389 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.216 -3.719 -9.074 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.900 -4.894 -9.308 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.357 0.119 -6.361 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.679 1.252 -5.767 1.00 0.25 C ATOM 1664 C ILE A 111 -2.005 0.785 -4.511 1.00 0.32 C ATOM 1665 O ILE A 111 -2.479 -0.128 -3.869 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.647 2.410 -5.407 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.317 2.985 -6.649 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.940 3.510 -4.637 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.503 2.177 -7.085 1.00 0.53 C ATOM 0 H ILE A 111 -4.138 -0.239 -5.811 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.967 1.637 -6.497 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.420 1.987 -4.765 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.633 4.009 -6.447 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.592 3.029 -7.462 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.649 4.304 -4.402 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.532 3.102 -3.712 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.130 3.915 -5.243 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.944 2.629 -7.973 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.186 1.160 -7.315 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.242 2.154 -6.284 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.890 1.372 -4.192 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.232 1.090 -2.962 1.00 0.20 C ATOM 1683 C VAL A 112 -0.328 2.288 -2.061 1.00 0.20 C ATOM 1684 O VAL A 112 -0.164 3.418 -2.506 1.00 0.23 O ATOM 1685 CB VAL A 112 1.237 0.789 -3.197 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.698 -0.285 -2.278 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.471 0.367 -4.626 1.00 0.22 C ATOM 0 H VAL A 112 -0.416 2.058 -4.779 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.712 0.224 -2.507 1.00 0.20 H new ATOM 0 HB VAL A 112 1.805 1.698 -3.000 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.753 -0.490 -2.458 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.562 0.037 -1.245 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.117 -1.190 -2.456 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.530 0.156 -4.774 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.889 -0.529 -4.841 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.164 1.169 -5.297 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.587 2.044 -0.807 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.611 3.100 0.159 1.00 0.21 C ATOM 1699 C ALA A 113 0.411 2.791 1.220 1.00 0.21 C ATOM 1700 O ALA A 113 0.119 2.160 2.227 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.998 3.251 0.756 1.00 0.25 C ATOM 0 H ALA A 113 -0.785 1.117 -0.431 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.365 4.049 -0.317 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.993 4.059 1.488 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.711 3.482 -0.035 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.287 2.321 1.245 1.00 0.25 H new ATOM 1707 N ILE A 114 1.621 3.231 0.958 1.00 0.21 N ATOM 1708 CA ILE A 114 2.718 3.059 1.881 1.00 0.24 C ATOM 1709 C ILE A 114 2.558 4.001 3.068 1.00 0.25 C ATOM 1710 O ILE A 114 2.937 5.167 2.987 1.00 0.30 O ATOM 1711 CB ILE A 114 4.056 3.343 1.175 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.147 2.565 -0.142 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.201 2.975 2.087 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.405 2.851 -0.935 1.00 0.85 C ATOM 0 H ILE A 114 1.872 3.719 0.098 1.00 0.21 H new ATOM 0 HA ILE A 114 2.713 2.029 2.237 1.00 0.24 H new ATOM 0 HB ILE A 114 4.114 4.407 0.944 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.099 1.498 0.073 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.279 2.805 -0.756 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.146 3.177 1.584 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.143 3.566 3.001 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.142 1.915 2.336 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.398 2.264 -1.853 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.446 3.912 -1.183 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.279 2.583 -0.341 1.00 0.85 H new ATOM 1726 N ASN A 115 1.986 3.507 4.162 1.00 0.26 N ATOM 1727 CA ASN A 115 1.701 4.365 5.303 1.00 0.31 C ATOM 1728 C ASN A 115 2.871 4.383 6.286 1.00 0.37 C ATOM 1729 O ASN A 115 3.682 3.456 6.309 1.00 0.39 O ATOM 1730 CB ASN A 115 0.417 3.898 6.003 1.00 0.39 C ATOM 1731 CG ASN A 115 0.002 4.797 7.157 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.253 6.008 7.153 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.642 4.209 8.153 1.00 0.69 N ATOM 0 H ASN A 115 1.715 2.531 4.281 1.00 0.26 H new ATOM 0 HA ASN A 115 1.557 5.382 4.939 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.392 3.857 5.274 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.562 2.884 6.375 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -0.951 4.758 8.955 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -0.830 3.207 8.118 1.00 0.69 H new ATOM 1740 N LYS A 116 2.944 5.454 7.076 1.00 0.49 N ATOM 1741 CA LYS A 116 3.937 5.612 8.145 1.00 0.62 C ATOM 1742 C LYS A 116 5.344 5.856 7.595 1.00 0.57 C ATOM 1743 O LYS A 116 6.326 5.380 8.161 1.00 0.67 O ATOM 1744 CB LYS A 116 3.954 4.391 9.079 1.00 0.78 C ATOM 1745 CG LYS A 116 2.601 4.049 9.692 1.00 1.15 C ATOM 1746 CD LYS A 116 2.734 2.961 10.745 1.00 1.50 C ATOM 1747 CE LYS A 116 1.382 2.523 11.286 1.00 2.05 C ATOM 1748 NZ LYS A 116 0.684 1.593 10.360 1.00 2.61 N ATOM 0 H LYS A 116 2.309 6.248 6.993 1.00 0.49 H new ATOM 0 HA LYS A 116 3.636 6.492 8.714 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.315 3.527 8.521 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.668 4.573 9.882 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.166 4.942 10.141 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.917 3.720 8.910 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.248 2.101 10.315 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.352 3.325 11.566 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.519 2.037 12.252 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.758 3.401 11.456 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 -0.233 1.320 10.768 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.530 2.064 9.446 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.266 0.743 10.217 1.00 2.61 H new ATOM 1762 N MET A 117 5.458 6.609 6.508 1.00 0.58 N ATOM 1763 CA MET A 117 6.776 6.890 5.955 1.00 0.69 C ATOM 1764 C MET A 117 7.162 8.360 6.134 1.00 0.81 C ATOM 1765 O MET A 117 8.074 8.861 5.480 1.00 1.03 O ATOM 1766 CB MET A 117 6.864 6.474 4.489 1.00 0.85 C ATOM 1767 CG MET A 117 6.376 7.496 3.480 1.00 0.81 C ATOM 1768 SD MET A 117 7.480 7.561 2.057 1.00 1.37 S ATOM 1769 CE MET A 117 7.885 5.821 1.905 1.00 0.65 C ATOM 0 H MET A 117 4.676 7.026 6.003 1.00 0.58 H new ATOM 0 HA MET A 117 7.495 6.292 6.515 1.00 0.69 H new ATOM 0 HB2 MET A 117 7.903 6.234 4.261 1.00 0.85 H new ATOM 0 HB3 MET A 117 6.289 5.558 4.356 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.368 7.240 3.154 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.319 8.479 3.948 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.931 5.666 2.171 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.250 5.240 2.574 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.721 5.498 0.877 1.00 0.65 H new ATOM 1779 N ASP A 118 6.477 9.037 7.051 1.00 0.84 N ATOM 1780 CA ASP A 118 6.764 10.446 7.349 1.00 1.06 C ATOM 1781 C ASP A 118 8.159 10.617 7.951 1.00 1.10 C ATOM 1782 O ASP A 118 8.791 11.661 7.790 1.00 1.49 O ATOM 1783 CB ASP A 118 5.698 11.023 8.292 1.00 1.25 C ATOM 1784 CG ASP A 118 6.102 12.336 8.930 1.00 1.61 C ATOM 1785 OD1 ASP A 118 5.948 13.390 8.281 1.00 2.45 O ATOM 1786 OD2 ASP A 118 6.604 12.315 10.069 1.00 1.73 O ATOM 0 H ASP A 118 5.718 8.637 7.603 1.00 0.84 H new ATOM 0 HA ASP A 118 6.737 10.997 6.409 1.00 1.06 H new ATOM 0 HB2 ASP A 118 4.772 11.168 7.735 1.00 1.25 H new ATOM 0 HB3 ASP A 118 5.487 10.297 9.077 1.00 1.25 H new ATOM 1791 N LYS A 119 8.644 9.587 8.637 1.00 1.11 N ATOM 1792 CA LYS A 119 9.979 9.641 9.225 1.00 1.34 C ATOM 1793 C LYS A 119 10.816 8.378 8.963 1.00 1.43 C ATOM 1794 O LYS A 119 11.911 8.460 8.408 1.00 1.78 O ATOM 1795 CB LYS A 119 9.934 9.991 10.729 1.00 1.81 C ATOM 1796 CG LYS A 119 8.538 10.006 11.341 1.00 1.99 C ATOM 1797 CD LYS A 119 8.560 10.525 12.771 1.00 2.61 C ATOM 1798 CE LYS A 119 8.953 11.995 12.827 1.00 3.15 C ATOM 1799 NZ LYS A 119 7.897 12.879 12.259 1.00 3.70 N ATOM 0 H LYS A 119 8.141 8.715 8.799 1.00 1.11 H new ATOM 0 HA LYS A 119 10.492 10.453 8.710 1.00 1.34 H new ATOM 0 HB2 LYS A 119 10.546 9.272 11.273 1.00 1.81 H new ATOM 0 HB3 LYS A 119 10.389 10.971 10.873 1.00 1.81 H new ATOM 0 HG2 LYS A 119 7.881 10.632 10.736 1.00 1.99 H new ATOM 0 HG3 LYS A 119 8.122 8.999 11.325 1.00 1.99 H new ATOM 0 HD2 LYS A 119 7.576 10.393 13.222 1.00 2.61 H new ATOM 0 HD3 LYS A 119 9.263 9.937 13.361 1.00 2.61 H new ATOM 0 HE2 LYS A 119 9.145 12.279 13.862 1.00 3.15 H new ATOM 0 HE3 LYS A 119 9.883 12.142 12.278 1.00 3.15 H new ATOM 0 HZ1 LYS A 119 8.184 13.873 12.363 1.00 3.70 H new ATOM 0 HZ2 LYS A 119 7.766 12.660 11.251 1.00 3.70 H new ATOM 0 HZ3 LYS A 119 7.003 12.721 12.766 1.00 3.70 H new ATOM 1813 N PRO A 120 10.309 7.212 9.343 1.00 1.71 N ATOM 1814 CA PRO A 120 11.029 5.946 9.218 1.00 2.15 C ATOM 1815 C PRO A 120 11.112 5.455 7.774 1.00 2.06 C ATOM 1816 O PRO A 120 12.193 5.135 7.286 1.00 2.57 O ATOM 1817 CB PRO A 120 10.215 4.979 10.083 1.00 2.65 C ATOM 1818 CG PRO A 120 8.854 5.589 10.208 1.00 2.67 C ATOM 1819 CD PRO A 120 8.995 7.063 9.930 1.00 2.11 C ATOM 0 HA PRO A 120 12.068 6.039 9.534 1.00 2.15 H new ATOM 0 HB2 PRO A 120 10.160 3.993 9.622 1.00 2.65 H new ATOM 0 HB3 PRO A 120 10.676 4.848 11.062 1.00 2.65 H new ATOM 0 HG2 PRO A 120 8.161 5.130 9.503 1.00 2.67 H new ATOM 0 HG3 PRO A 120 8.449 5.423 11.206 1.00 2.67 H new ATOM 0 HD2 PRO A 120 8.218 7.412 9.250 1.00 2.11 H new ATOM 0 HD3 PRO A 120 8.904 7.647 10.846 1.00 2.11 H new ATOM 1827 N GLU A 121 9.935 5.368 7.135 1.00 1.72 N ATOM 1828 CA GLU A 121 9.750 5.103 5.692 1.00 1.80 C ATOM 1829 C GLU A 121 10.340 3.771 5.229 1.00 1.43 C ATOM 1830 O GLU A 121 10.198 3.413 4.061 1.00 2.12 O ATOM 1831 CB GLU A 121 10.281 6.253 4.814 1.00 2.45 C ATOM 1832 CG GLU A 121 11.787 6.393 4.783 1.00 2.79 C ATOM 1833 CD GLU A 121 12.254 7.405 3.762 1.00 3.60 C ATOM 1834 OE1 GLU A 121 12.151 8.615 4.040 1.00 3.92 O ATOM 1835 OE2 GLU A 121 12.739 6.992 2.687 1.00 4.03 O ATOM 0 H GLU A 121 9.048 5.484 7.625 1.00 1.72 H new ATOM 0 HA GLU A 121 8.670 5.035 5.562 1.00 1.80 H new ATOM 0 HB2 GLU A 121 9.924 6.106 3.795 1.00 2.45 H new ATOM 0 HB3 GLU A 121 9.852 7.189 5.170 1.00 2.45 H new ATOM 0 HG2 GLU A 121 12.141 6.688 5.771 1.00 2.79 H new ATOM 0 HG3 GLU A 121 12.234 5.424 4.560 1.00 2.79 H new ATOM 1842 N ALA A 122 10.930 3.030 6.161 1.00 0.99 N ATOM 1843 CA ALA A 122 11.667 1.802 5.863 1.00 1.09 C ATOM 1844 C ALA A 122 12.554 1.970 4.631 1.00 0.90 C ATOM 1845 O ALA A 122 13.643 2.540 4.713 1.00 1.24 O ATOM 1846 CB ALA A 122 10.731 0.612 5.699 1.00 1.47 C ATOM 0 H ALA A 122 10.911 3.265 7.153 1.00 0.99 H new ATOM 0 HA ALA A 122 12.313 1.600 6.717 1.00 1.09 H new ATOM 0 HB1 ALA A 122 11.314 -0.282 5.478 1.00 1.47 H new ATOM 0 HB2 ALA A 122 10.170 0.461 6.621 1.00 1.47 H new ATOM 0 HB3 ALA A 122 10.038 0.804 4.880 1.00 1.47 H new ATOM 1852 N ASN A 123 12.065 1.500 3.491 1.00 0.59 N ATOM 1853 CA ASN A 123 12.755 1.684 2.221 1.00 0.57 C ATOM 1854 C ASN A 123 11.813 1.417 1.047 1.00 0.46 C ATOM 1855 O ASN A 123 11.618 0.265 0.670 1.00 0.52 O ATOM 1856 CB ASN A 123 13.977 0.761 2.128 1.00 0.85 C ATOM 1857 CG ASN A 123 14.686 0.867 0.789 1.00 1.28 C ATOM 1858 OD1 ASN A 123 14.661 1.910 0.140 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.326 -0.213 0.368 1.00 1.84 N ATOM 0 H ASN A 123 11.187 0.985 3.420 1.00 0.59 H new ATOM 0 HA ASN A 123 13.092 2.720 2.172 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.677 1.008 2.926 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.662 -0.270 2.288 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.821 -0.197 -0.524 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.324 -1.061 0.935 1.00 1.84 H new ATOM 1866 N PRO A 124 11.169 2.481 0.510 1.00 0.41 N ATOM 1867 CA PRO A 124 10.245 2.407 -0.625 1.00 0.47 C ATOM 1868 C PRO A 124 10.530 1.266 -1.603 1.00 0.42 C ATOM 1869 O PRO A 124 9.769 0.304 -1.652 1.00 0.40 O ATOM 1870 CB PRO A 124 10.458 3.761 -1.291 1.00 0.66 C ATOM 1871 CG PRO A 124 10.759 4.701 -0.168 1.00 0.70 C ATOM 1872 CD PRO A 124 11.256 3.871 0.999 1.00 0.46 C ATOM 0 HA PRO A 124 9.224 2.201 -0.303 1.00 0.47 H new ATOM 0 HB2 PRO A 124 11.280 3.724 -2.006 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.571 4.074 -1.841 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.512 5.429 -0.469 1.00 0.70 H new ATOM 0 HG3 PRO A 124 9.867 5.262 0.112 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.278 4.136 1.271 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.641 4.021 1.886 1.00 0.46 H new ATOM 1880 N ASP A 125 11.632 1.380 -2.344 1.00 0.45 N ATOM 1881 CA ASP A 125 12.038 0.394 -3.369 1.00 0.45 C ATOM 1882 C ASP A 125 11.925 -1.036 -2.867 1.00 0.38 C ATOM 1883 O ASP A 125 11.410 -1.900 -3.568 1.00 0.33 O ATOM 1884 CB ASP A 125 13.486 0.656 -3.782 1.00 0.56 C ATOM 1885 CG ASP A 125 13.709 2.057 -4.320 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.581 3.026 -3.545 1.00 2.00 O ATOM 1887 OD2 ASP A 125 13.997 2.198 -5.529 1.00 1.28 O ATOM 0 H ASP A 125 12.280 2.163 -2.256 1.00 0.45 H new ATOM 0 HA ASP A 125 11.364 0.510 -4.217 1.00 0.45 H new ATOM 0 HB2 ASP A 125 14.137 0.496 -2.923 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.777 -0.069 -4.542 1.00 0.56 H new ATOM 1892 N ARG A 126 12.411 -1.276 -1.658 1.00 0.40 N ATOM 1893 CA ARG A 126 12.326 -2.593 -1.041 1.00 0.40 C ATOM 1894 C ARG A 126 10.885 -3.063 -1.008 1.00 0.34 C ATOM 1895 O ARG A 126 10.544 -4.124 -1.525 1.00 0.32 O ATOM 1896 CB ARG A 126 12.868 -2.539 0.383 1.00 0.47 C ATOM 1897 CG ARG A 126 12.812 -3.871 1.103 1.00 0.58 C ATOM 1898 CD ARG A 126 13.541 -4.940 0.319 1.00 1.25 C ATOM 1899 NE ARG A 126 13.886 -6.095 1.145 1.00 1.38 N ATOM 1900 CZ ARG A 126 13.508 -7.342 0.872 1.00 2.08 C ATOM 1901 NH1 ARG A 126 12.694 -7.591 -0.143 1.00 2.99 N ATOM 1902 NH2 ARG A 126 13.922 -8.343 1.636 1.00 2.15 N ATOM 0 H ARG A 126 12.871 -0.572 -1.081 1.00 0.40 H new ATOM 0 HA ARG A 126 12.921 -3.291 -1.631 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.901 -2.192 0.357 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.299 -1.803 0.952 1.00 0.47 H new ATOM 0 HG2 ARG A 126 13.258 -3.773 2.093 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.773 -4.166 1.249 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.918 -5.265 -0.514 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.450 -4.517 -0.109 1.00 1.25 H new ATOM 0 HE ARG A 126 14.450 -5.936 1.980 1.00 1.38 H new ATOM 0 HH11 ARG A 126 12.352 -6.824 -0.722 1.00 2.99 H new ATOM 0 HH12 ARG A 126 12.409 -8.549 -0.345 1.00 2.99 H new ATOM 0 HH21 ARG A 126 14.530 -8.158 2.433 1.00 2.15 H new ATOM 0 HH22 ARG A 126 13.632 -9.298 1.426 1.00 2.15 H new ATOM 1916 N VAL A 127 10.055 -2.241 -0.401 1.00 0.34 N ATOM 1917 CA VAL A 127 8.620 -2.512 -0.288 1.00 0.34 C ATOM 1918 C VAL A 127 7.993 -2.646 -1.677 1.00 0.31 C ATOM 1919 O VAL A 127 7.154 -3.511 -1.922 1.00 0.33 O ATOM 1920 CB VAL A 127 7.897 -1.385 0.487 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.416 -1.691 0.644 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.551 -1.161 1.843 1.00 0.40 C ATOM 0 H VAL A 127 10.347 -1.364 0.031 1.00 0.34 H new ATOM 0 HA VAL A 127 8.504 -3.447 0.260 1.00 0.34 H new ATOM 0 HB VAL A 127 7.987 -0.466 -0.092 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.933 -0.882 1.192 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.958 -1.786 -0.340 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.294 -2.625 1.193 1.00 0.39 H new ATOM 0 HG21 VAL A 127 8.028 -0.365 2.372 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.500 -2.080 2.428 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.594 -0.878 1.702 1.00 0.40 H new ATOM 1932 N MET A 128 8.436 -1.796 -2.587 1.00 0.28 N ATOM 1933 CA MET A 128 7.915 -1.765 -3.946 1.00 0.26 C ATOM 1934 C MET A 128 8.264 -3.045 -4.701 1.00 0.25 C ATOM 1935 O MET A 128 7.514 -3.483 -5.576 1.00 0.25 O ATOM 1936 CB MET A 128 8.460 -0.541 -4.685 1.00 0.25 C ATOM 1937 CG MET A 128 8.117 0.775 -4.006 1.00 0.27 C ATOM 1938 SD MET A 128 8.919 2.197 -4.767 1.00 0.30 S ATOM 1939 CE MET A 128 8.127 2.207 -6.368 1.00 0.29 C ATOM 0 H MET A 128 9.167 -1.107 -2.407 1.00 0.28 H new ATOM 0 HA MET A 128 6.828 -1.696 -3.895 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.543 -0.628 -4.767 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.063 -0.532 -5.700 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.037 0.919 -4.031 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.407 0.721 -2.957 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.880 2.090 -7.147 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.414 1.385 -6.426 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.603 3.152 -6.509 1.00 0.29 H new ATOM 1949 N GLN A 129 9.391 -3.654 -4.352 1.00 0.25 N ATOM 1950 CA GLN A 129 9.809 -4.894 -4.988 1.00 0.26 C ATOM 1951 C GLN A 129 9.003 -6.069 -4.460 1.00 0.29 C ATOM 1952 O GLN A 129 8.907 -7.107 -5.113 1.00 0.31 O ATOM 1953 CB GLN A 129 11.304 -5.134 -4.798 1.00 0.29 C ATOM 1954 CG GLN A 129 12.171 -4.307 -5.736 1.00 0.31 C ATOM 1955 CD GLN A 129 13.650 -4.478 -5.466 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.068 -4.707 -4.329 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.452 -4.382 -6.509 1.00 1.28 N ATOM 0 H GLN A 129 10.029 -3.310 -3.634 1.00 0.25 H new ATOM 0 HA GLN A 129 9.619 -4.802 -6.057 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.574 -4.903 -3.767 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.518 -6.191 -4.954 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.959 -4.592 -6.766 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.907 -3.254 -5.635 1.00 0.31 H new ATOM 0 HE21 GLN A 129 14.066 -4.191 -7.434 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.458 -4.498 -6.391 1.00 1.28 H new ATOM 1966 N GLU A 130 8.416 -5.899 -3.282 1.00 0.33 N ATOM 1967 CA GLU A 130 7.501 -6.894 -2.746 1.00 0.38 C ATOM 1968 C GLU A 130 6.266 -6.929 -3.611 1.00 0.33 C ATOM 1969 O GLU A 130 5.722 -7.986 -3.904 1.00 0.36 O ATOM 1970 CB GLU A 130 7.098 -6.560 -1.314 1.00 0.48 C ATOM 1971 CG GLU A 130 8.257 -6.090 -0.478 1.00 0.71 C ATOM 1972 CD GLU A 130 9.277 -7.184 -0.232 1.00 1.18 C ATOM 1973 OE1 GLU A 130 10.147 -7.396 -1.106 1.00 2.02 O ATOM 1974 OE2 GLU A 130 9.225 -7.821 0.839 1.00 1.46 O ATOM 0 H GLU A 130 8.557 -5.085 -2.683 1.00 0.33 H new ATOM 0 HA GLU A 130 8.001 -7.863 -2.743 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.329 -5.788 -1.328 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.655 -7.442 -0.851 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.742 -5.250 -0.975 1.00 0.71 H new ATOM 0 HG3 GLU A 130 7.885 -5.722 0.479 1.00 0.71 H new ATOM 1981 N LEU A 131 5.842 -5.760 -4.055 1.00 0.29 N ATOM 1982 CA LEU A 131 4.643 -5.679 -4.868 1.00 0.29 C ATOM 1983 C LEU A 131 4.894 -6.292 -6.219 1.00 0.24 C ATOM 1984 O LEU A 131 4.111 -7.096 -6.710 1.00 0.25 O ATOM 1985 CB LEU A 131 4.173 -4.241 -5.022 1.00 0.32 C ATOM 1986 CG LEU A 131 3.353 -3.717 -3.850 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.193 -4.648 -3.569 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.222 -3.599 -2.628 1.00 1.06 C ATOM 0 H LEU A 131 6.301 -4.868 -3.871 1.00 0.29 H new ATOM 0 HA LEU A 131 3.854 -6.235 -4.362 1.00 0.29 H new ATOM 0 HB2 LEU A 131 5.044 -3.599 -5.156 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.577 -4.162 -5.931 1.00 0.32 H new ATOM 0 HG LEU A 131 2.962 -2.732 -4.106 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.613 -4.264 -2.729 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.556 -4.712 -4.451 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.573 -5.640 -3.324 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.628 -3.224 -1.794 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.627 -4.579 -2.373 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.041 -2.909 -2.830 1.00 1.06 H new ATOM 2000 N MET A 132 6.017 -5.951 -6.801 1.00 0.21 N ATOM 2001 CA MET A 132 6.366 -6.503 -8.086 1.00 0.22 C ATOM 2002 C MET A 132 6.782 -7.965 -7.941 1.00 0.26 C ATOM 2003 O MET A 132 7.007 -8.656 -8.932 1.00 0.32 O ATOM 2004 CB MET A 132 7.447 -5.663 -8.741 1.00 0.23 C ATOM 2005 CG MET A 132 8.847 -5.878 -8.196 1.00 0.26 C ATOM 2006 SD MET A 132 9.800 -6.984 -9.241 1.00 0.35 S ATOM 2007 CE MET A 132 9.243 -6.411 -10.840 1.00 0.32 C ATOM 0 H MET A 132 6.699 -5.301 -6.410 1.00 0.21 H new ATOM 0 HA MET A 132 5.493 -6.478 -8.738 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.453 -5.876 -9.810 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.187 -4.611 -8.627 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.359 -4.919 -8.118 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.787 -6.290 -7.189 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.959 -6.713 -11.604 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.269 -6.846 -11.063 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.161 -5.324 -10.829 1.00 0.32 H new ATOM 2017 N GLU A 133 6.855 -8.436 -6.696 1.00 0.27 N ATOM 2018 CA GLU A 133 7.036 -9.852 -6.425 1.00 0.35 C ATOM 2019 C GLU A 133 5.730 -10.555 -6.748 1.00 0.34 C ATOM 2020 O GLU A 133 5.715 -11.654 -7.297 1.00 0.40 O ATOM 2021 CB GLU A 133 7.424 -10.078 -4.959 1.00 0.44 C ATOM 2022 CG GLU A 133 8.155 -11.386 -4.679 1.00 0.67 C ATOM 2023 CD GLU A 133 7.321 -12.629 -4.923 1.00 1.30 C ATOM 2024 OE1 GLU A 133 6.423 -12.912 -4.104 1.00 1.55 O ATOM 2025 OE2 GLU A 133 7.550 -13.324 -5.935 1.00 2.18 O ATOM 0 H GLU A 133 6.791 -7.852 -5.862 1.00 0.27 H new ATOM 0 HA GLU A 133 7.843 -10.253 -7.039 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.055 -9.250 -4.634 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.520 -10.047 -4.351 1.00 0.44 H new ATOM 0 HG2 GLU A 133 9.047 -11.432 -5.304 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.492 -11.386 -3.642 1.00 0.67 H new ATOM 2032 N TYR A 134 4.611 -9.891 -6.444 1.00 0.30 N ATOM 2033 CA TYR A 134 3.311 -10.437 -6.820 1.00 0.34 C ATOM 2034 C TYR A 134 2.997 -10.044 -8.260 1.00 0.36 C ATOM 2035 O TYR A 134 1.890 -10.246 -8.765 1.00 0.44 O ATOM 2036 CB TYR A 134 2.253 -9.978 -5.838 1.00 0.32 C ATOM 2037 CG TYR A 134 2.720 -10.150 -4.416 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.868 -11.413 -3.877 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.931 -9.053 -3.588 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.225 -11.585 -2.559 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.275 -9.218 -2.265 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.738 -10.445 -1.854 1.00 0.57 C ATOM 2043 OH TYR A 134 3.755 -10.653 -0.430 1.00 0.74 O ATOM 0 H TYR A 134 4.580 -8.998 -5.952 1.00 0.30 H new ATOM 0 HA TYR A 134 3.327 -11.526 -6.776 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.013 -8.931 -6.021 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.336 -10.547 -5.994 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.701 -12.279 -4.500 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.823 -8.056 -3.989 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.123 -12.544 -2.073 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.183 -8.401 -1.565 1.00 0.49 H new ATOM 0 HH TYR A 134 4.320 -9.973 -0.007 1.00 0.74 H new ATOM 2053 N ASN A 135 4.013 -9.451 -8.891 1.00 0.35 N ATOM 2054 CA ASN A 135 4.045 -9.167 -10.320 1.00 0.38 C ATOM 2055 C ASN A 135 3.035 -8.095 -10.643 1.00 0.42 C ATOM 2056 O ASN A 135 2.253 -8.185 -11.589 1.00 0.59 O ATOM 2057 CB ASN A 135 3.810 -10.431 -11.155 1.00 0.47 C ATOM 2058 CG ASN A 135 4.253 -10.264 -12.597 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.178 -9.506 -12.892 1.00 1.94 O ATOM 2060 ND2 ASN A 135 3.600 -10.972 -13.501 1.00 1.89 N ATOM 0 H ASN A 135 4.857 -9.148 -8.405 1.00 0.35 H new ATOM 0 HA ASN A 135 5.039 -8.804 -10.581 1.00 0.38 H new ATOM 0 HB2 ASN A 135 4.350 -11.265 -10.706 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.751 -10.687 -11.131 1.00 0.47 H new ATOM 0 HD21 ASN A 135 3.856 -10.902 -14.486 1.00 1.89 H new ATOM 0 HD22 ASN A 135 2.840 -11.588 -13.214 1.00 1.89 H new ATOM 2067 N LEU A 136 3.041 -7.099 -9.794 1.00 0.38 N ATOM 2068 CA LEU A 136 2.331 -5.883 -10.038 1.00 0.46 C ATOM 2069 C LEU A 136 3.345 -4.762 -9.986 1.00 0.39 C ATOM 2070 O LEU A 136 3.566 -4.121 -8.959 1.00 0.43 O ATOM 2071 CB LEU A 136 1.204 -5.689 -9.030 1.00 0.62 C ATOM 2072 CG LEU A 136 1.611 -5.700 -7.566 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.997 -4.518 -6.844 1.00 1.68 C ATOM 2074 CD2 LEU A 136 1.178 -7.003 -6.927 1.00 1.44 C ATOM 0 H LEU A 136 3.545 -7.116 -8.908 1.00 0.38 H new ATOM 0 HA LEU A 136 1.848 -5.903 -11.015 1.00 0.46 H new ATOM 0 HB2 LEU A 136 0.712 -4.740 -9.243 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.464 -6.474 -9.187 1.00 0.62 H new ATOM 0 HG LEU A 136 2.695 -5.618 -7.493 1.00 0.89 H new ATOM 0 HD11 LEU A 136 1.296 -4.537 -5.796 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.342 -3.592 -7.303 1.00 1.68 H new ATOM 0 HD13 LEU A 136 -0.089 -4.574 -6.913 1.00 1.68 H new ATOM 0 HD21 LEU A 136 1.471 -7.008 -5.877 1.00 1.44 H new ATOM 0 HD22 LEU A 136 0.095 -7.103 -7.002 1.00 1.44 H new ATOM 0 HD23 LEU A 136 1.656 -7.837 -7.441 1.00 1.44 H new ATOM 2086 N VAL A 137 4.020 -4.601 -11.099 1.00 0.33 N ATOM 2087 CA VAL A 137 5.129 -3.679 -11.193 1.00 0.27 C ATOM 2088 C VAL A 137 4.645 -2.260 -11.016 1.00 0.26 C ATOM 2089 O VAL A 137 3.660 -1.851 -11.627 1.00 0.27 O ATOM 2090 CB VAL A 137 5.844 -3.784 -12.551 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.347 -3.675 -12.374 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.454 -5.061 -13.274 1.00 0.49 C ATOM 0 H VAL A 137 3.818 -5.103 -11.963 1.00 0.33 H new ATOM 0 HA VAL A 137 5.832 -3.943 -10.403 1.00 0.27 H new ATOM 0 HB VAL A 137 5.524 -2.949 -13.174 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.834 -3.752 -13.346 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.591 -2.714 -11.920 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.697 -4.481 -11.728 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.973 -5.110 -14.231 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.731 -5.922 -12.666 1.00 0.49 H new ATOM 0 HG23 VAL A 137 4.377 -5.068 -13.445 1.00 0.49 H new ATOM 2102 N PRO A 138 5.305 -1.506 -10.143 1.00 0.25 N ATOM 2103 CA PRO A 138 5.080 -0.076 -10.006 1.00 0.27 C ATOM 2104 C PRO A 138 4.997 0.628 -11.341 1.00 0.30 C ATOM 2105 O PRO A 138 5.575 0.197 -12.339 1.00 0.29 O ATOM 2106 CB PRO A 138 6.325 0.385 -9.289 1.00 0.30 C ATOM 2107 CG PRO A 138 6.686 -0.754 -8.421 1.00 0.29 C ATOM 2108 CD PRO A 138 6.298 -1.997 -9.174 1.00 0.27 C ATOM 0 HA PRO A 138 4.141 0.139 -9.496 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.125 0.620 -9.991 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.138 1.287 -8.706 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.753 -0.751 -8.199 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.162 -0.698 -7.467 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.155 -2.451 -9.671 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.876 -2.753 -8.512 1.00 0.27 H new ATOM 2116 N GLU A 139 4.311 1.739 -11.322 1.00 0.35 N ATOM 2117 CA GLU A 139 4.090 2.537 -12.510 1.00 0.40 C ATOM 2118 C GLU A 139 5.386 3.255 -12.841 1.00 0.42 C ATOM 2119 O GLU A 139 5.685 3.529 -14.002 1.00 0.50 O ATOM 2120 CB GLU A 139 2.940 3.512 -12.259 1.00 0.47 C ATOM 2121 CG GLU A 139 2.262 4.025 -13.515 1.00 0.80 C ATOM 2122 CD GLU A 139 3.035 5.125 -14.214 1.00 1.49 C ATOM 2123 OE1 GLU A 139 3.528 6.041 -13.523 1.00 1.98 O ATOM 2124 OE2 GLU A 139 3.166 5.075 -15.455 1.00 2.01 O ATOM 0 H GLU A 139 3.885 2.123 -10.479 1.00 0.35 H new ATOM 0 HA GLU A 139 3.808 1.916 -13.360 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.194 3.021 -11.634 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.319 4.363 -11.693 1.00 0.47 H new ATOM 0 HG2 GLU A 139 2.121 3.195 -14.207 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.270 4.397 -13.257 1.00 0.80 H new ATOM 2131 N GLU A 140 6.155 3.522 -11.789 1.00 0.42 N ATOM 2132 CA GLU A 140 7.528 3.988 -11.919 1.00 0.44 C ATOM 2133 C GLU A 140 8.292 3.066 -12.854 1.00 0.43 C ATOM 2134 O GLU A 140 9.069 3.512 -13.697 1.00 0.51 O ATOM 2135 CB GLU A 140 8.261 3.984 -10.559 1.00 0.45 C ATOM 2136 CG GLU A 140 7.472 3.413 -9.392 1.00 0.75 C ATOM 2137 CD GLU A 140 6.280 4.251 -8.982 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.491 5.296 -8.337 1.00 1.14 O ATOM 2139 OE2 GLU A 140 5.138 3.872 -9.310 1.00 1.01 O ATOM 0 H GLU A 140 5.842 3.421 -10.824 1.00 0.42 H new ATOM 0 HA GLU A 140 7.491 5.006 -12.307 1.00 0.44 H new ATOM 0 HB2 GLU A 140 9.184 3.413 -10.665 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.545 5.008 -10.316 1.00 0.45 H new ATOM 0 HG2 GLU A 140 7.126 2.413 -9.656 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.138 3.304 -8.536 1.00 0.75 H new ATOM 2146 N TRP A 141 8.062 1.766 -12.688 1.00 0.35 N ATOM 2147 CA TRP A 141 8.842 0.756 -13.387 1.00 0.35 C ATOM 2148 C TRP A 141 8.132 0.291 -14.653 1.00 0.38 C ATOM 2149 O TRP A 141 8.761 -0.258 -15.557 1.00 0.45 O ATOM 2150 CB TRP A 141 9.171 -0.408 -12.462 1.00 0.32 C ATOM 2151 CG TRP A 141 9.594 0.026 -11.082 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.946 1.282 -10.682 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.709 -0.800 -9.923 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.197 1.310 -9.341 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.081 0.030 -8.846 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.515 -2.156 -9.696 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.254 -0.467 -7.553 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.689 -2.650 -8.416 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.053 -1.812 -7.356 1.00 0.23 C ATOM 0 H TRP A 141 7.340 1.390 -12.074 1.00 0.35 H new ATOM 0 HA TRP A 141 9.785 1.207 -13.696 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.298 -1.055 -12.380 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.968 -1.003 -12.908 1.00 0.32 H new ATOM 0 HD1 TRP A 141 10.016 2.138 -11.337 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.431 2.140 -8.796 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.233 -2.814 -10.505 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.536 0.182 -6.737 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.541 -3.704 -8.231 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.178 -2.229 -6.368 1.00 0.23 H new ATOM 2170 N GLY A 142 6.821 0.509 -14.720 1.00 0.35 N ATOM 2171 CA GLY A 142 6.108 0.283 -15.962 1.00 0.39 C ATOM 2172 C GLY A 142 5.247 -0.954 -15.922 1.00 0.38 C ATOM 2173 O GLY A 142 5.030 -1.609 -16.944 1.00 0.45 O ATOM 0 H GLY A 142 6.246 0.835 -13.943 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.483 1.149 -16.180 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.826 0.195 -16.777 1.00 0.39 H new ATOM 2177 N GLY A 143 4.770 -1.283 -14.742 1.00 0.33 N ATOM 2178 CA GLY A 143 3.901 -2.428 -14.599 1.00 0.34 C ATOM 2179 C GLY A 143 2.439 -2.065 -14.647 1.00 0.37 C ATOM 2180 O GLY A 143 1.897 -1.749 -15.710 1.00 0.50 O ATOM 0 H GLY A 143 4.967 -0.780 -13.877 1.00 0.33 H new ATOM 0 HA2 GLY A 143 4.119 -3.144 -15.392 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.116 -2.925 -13.653 1.00 0.34 H new ATOM 2184 N ASP A 144 1.799 -2.113 -13.494 1.00 0.33 N ATOM 2185 CA ASP A 144 0.382 -1.830 -13.403 1.00 0.40 C ATOM 2186 C ASP A 144 0.001 -1.334 -12.011 1.00 0.30 C ATOM 2187 O ASP A 144 -1.144 -1.507 -11.576 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.455 -3.074 -13.763 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.081 -4.315 -12.959 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -0.565 -4.475 -11.820 1.00 1.30 O ATOM 2191 OD2 ASP A 144 0.676 -5.160 -13.482 1.00 1.19 O ATOM 0 H ASP A 144 2.241 -2.346 -12.605 1.00 0.33 H new ATOM 0 HA ASP A 144 0.165 -1.040 -14.122 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.510 -2.851 -13.602 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.333 -3.289 -14.825 1.00 0.57 H new ATOM 2196 N THR A 145 0.936 -0.698 -11.308 1.00 0.25 N ATOM 2197 CA THR A 145 0.672 -0.364 -9.909 1.00 0.24 C ATOM 2198 C THR A 145 1.066 1.063 -9.538 1.00 0.24 C ATOM 2199 O THR A 145 2.186 1.499 -9.774 1.00 0.31 O ATOM 2200 CB THR A 145 1.383 -1.357 -8.982 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.042 -2.683 -9.385 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.972 -1.145 -7.533 1.00 0.28 C ATOM 0 H THR A 145 1.848 -0.413 -11.665 1.00 0.25 H new ATOM 0 HA THR A 145 -0.408 -0.435 -9.779 1.00 0.24 H new ATOM 0 HB THR A 145 2.459 -1.200 -9.055 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.069 -2.758 -9.474 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.492 -1.863 -6.899 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.234 -0.133 -7.225 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.104 -1.287 -7.436 1.00 0.28 H new ATOM 2210 N ILE A 146 0.126 1.770 -8.923 1.00 0.26 N ATOM 2211 CA ILE A 146 0.334 3.148 -8.501 1.00 0.27 C ATOM 2212 C ILE A 146 0.790 3.200 -7.044 1.00 0.24 C ATOM 2213 O ILE A 146 0.017 2.913 -6.134 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.964 3.970 -8.655 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.468 3.922 -10.102 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.743 5.407 -8.215 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -0.497 4.501 -11.110 1.00 1.23 C ATOM 0 H ILE A 146 -0.800 1.404 -8.703 1.00 0.26 H new ATOM 0 HA ILE A 146 1.107 3.577 -9.138 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.725 3.527 -8.013 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.679 2.886 -10.369 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -2.410 4.466 -10.166 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.669 5.970 -8.331 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.437 5.424 -7.169 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.036 5.860 -8.829 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -0.925 4.431 -12.110 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -0.304 5.547 -10.870 1.00 1.23 H new ATOM 0 HD13 ILE A 146 0.439 3.943 -11.076 1.00 1.23 H new ATOM 2229 N PHE A 147 2.040 3.571 -6.826 1.00 0.23 N ATOM 2230 CA PHE A 147 2.612 3.602 -5.481 1.00 0.22 C ATOM 2231 C PHE A 147 2.424 4.964 -4.828 1.00 0.24 C ATOM 2232 O PHE A 147 2.900 5.980 -5.332 1.00 0.38 O ATOM 2233 CB PHE A 147 4.098 3.250 -5.530 1.00 0.23 C ATOM 2234 CG PHE A 147 4.333 1.777 -5.432 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.110 0.954 -6.521 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.742 1.212 -4.236 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.296 -0.409 -6.419 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.925 -0.151 -4.129 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.704 -0.961 -5.221 1.00 0.19 C ATOM 0 H PHE A 147 2.684 3.857 -7.563 1.00 0.23 H new ATOM 0 HA PHE A 147 2.085 2.862 -4.879 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.528 3.624 -6.459 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.616 3.754 -4.714 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.788 1.382 -7.459 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.919 1.844 -3.379 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.123 -1.044 -7.275 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.241 -0.582 -3.191 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.850 -2.028 -5.140 1.00 0.19 H new ATOM 2249 N CYS A 148 1.721 4.980 -3.709 1.00 0.25 N ATOM 2250 CA CYS A 148 1.548 6.190 -2.933 1.00 0.28 C ATOM 2251 C CYS A 148 2.317 6.075 -1.633 1.00 0.26 C ATOM 2252 O CYS A 148 1.991 5.260 -0.775 1.00 0.32 O ATOM 2253 CB CYS A 148 0.069 6.435 -2.648 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.945 6.591 -4.140 1.00 1.10 S ATOM 0 H CYS A 148 1.258 4.160 -3.317 1.00 0.25 H new ATOM 0 HA CYS A 148 1.932 7.034 -3.505 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.316 5.614 -2.042 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.032 7.344 -2.055 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.991 7.838 -4.505 1.00 1.10 H new ATOM 2260 N LYS A 149 3.354 6.873 -1.509 1.00 0.37 N ATOM 2261 CA LYS A 149 4.150 6.911 -0.299 1.00 0.38 C ATOM 2262 C LYS A 149 3.624 8.007 0.618 1.00 0.39 C ATOM 2263 O LYS A 149 3.900 9.191 0.416 1.00 0.47 O ATOM 2264 CB LYS A 149 5.620 7.123 -0.669 1.00 0.47 C ATOM 2265 CG LYS A 149 5.821 8.115 -1.808 1.00 0.64 C ATOM 2266 CD LYS A 149 7.240 8.078 -2.349 1.00 0.94 C ATOM 2267 CE LYS A 149 7.363 8.890 -3.627 1.00 1.57 C ATOM 2268 NZ LYS A 149 8.730 8.824 -4.199 1.00 2.44 N ATOM 0 H LYS A 149 3.670 7.512 -2.239 1.00 0.37 H new ATOM 0 HA LYS A 149 4.076 5.966 0.240 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.161 7.475 0.209 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.058 6.165 -0.950 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.120 7.891 -2.612 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.593 9.121 -1.457 1.00 0.64 H new ATOM 0 HD2 LYS A 149 7.928 8.469 -1.599 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.532 7.046 -2.542 1.00 0.94 H new ATOM 0 HE2 LYS A 149 6.645 8.522 -4.360 1.00 1.57 H new ATOM 0 HE3 LYS A 149 7.106 9.929 -3.422 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 8.770 9.392 -5.070 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 9.413 9.199 -3.510 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 8.967 7.836 -4.419 1.00 2.44 H new ATOM 2282 N LEU A 150 2.840 7.610 1.614 1.00 0.40 N ATOM 2283 CA LEU A 150 2.095 8.571 2.414 1.00 0.45 C ATOM 2284 C LEU A 150 2.392 8.487 3.902 1.00 0.45 C ATOM 2285 O LEU A 150 3.187 7.670 4.377 1.00 0.49 O ATOM 2286 CB LEU A 150 0.592 8.367 2.236 1.00 0.60 C ATOM 2287 CG LEU A 150 0.067 7.018 2.706 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.280 7.174 3.385 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.037 6.073 1.529 1.00 1.27 C ATOM 0 H LEU A 150 2.705 6.636 1.884 1.00 0.40 H new ATOM 0 HA LEU A 150 2.414 9.549 2.054 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.067 9.153 2.778 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.346 8.488 1.181 1.00 0.60 H new ATOM 0 HG LEU A 150 0.764 6.603 3.434 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -1.637 6.198 3.713 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.178 7.832 4.248 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -1.994 7.604 2.683 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.413 5.108 1.869 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.720 6.488 0.788 1.00 1.27 H new ATOM 0 HD23 LEU A 150 0.948 5.941 1.080 1.00 1.27 H new ATOM 2301 N SER A 151 1.726 9.374 4.618 1.00 0.49 N ATOM 2302 CA SER A 151 1.690 9.384 6.047 1.00 0.55 C ATOM 2303 C SER A 151 0.356 9.984 6.485 1.00 0.57 C ATOM 2304 O SER A 151 0.070 11.143 6.183 1.00 0.60 O ATOM 2305 CB SER A 151 2.849 10.220 6.552 1.00 0.66 C ATOM 2306 OG SER A 151 3.052 11.352 5.724 1.00 1.79 O ATOM 0 H SER A 151 1.182 10.126 4.196 1.00 0.49 H new ATOM 0 HA SER A 151 1.780 8.377 6.455 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.652 10.542 7.574 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.755 9.615 6.577 1.00 0.66 H new ATOM 0 HG SER A 151 3.308 12.120 6.277 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.466 9.194 7.165 1.00 0.62 N ATOM 2313 CA ALA A 152 -1.809 9.632 7.553 1.00 0.70 C ATOM 2314 C ALA A 152 -1.769 10.826 8.508 1.00 0.74 C ATOM 2315 O ALA A 152 -2.767 11.513 8.691 1.00 0.87 O ATOM 2316 CB ALA A 152 -2.586 8.476 8.170 1.00 0.86 C ATOM 0 H ALA A 152 -0.230 8.247 7.461 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.321 9.960 6.648 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -3.582 8.817 8.453 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -2.672 7.667 7.444 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.061 8.116 9.054 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.606 11.076 9.104 1.00 0.77 N ATOM 2323 CA LYS A 153 -0.434 12.201 10.005 1.00 0.93 C ATOM 2324 C LYS A 153 -0.212 13.464 9.200 1.00 0.86 C ATOM 2325 O LYS A 153 -0.949 14.443 9.313 1.00 0.96 O ATOM 2326 CB LYS A 153 0.777 11.985 10.891 1.00 1.13 C ATOM 2327 CG LYS A 153 1.065 10.534 11.229 1.00 1.19 C ATOM 2328 CD LYS A 153 2.350 10.406 12.037 1.00 1.68 C ATOM 2329 CE LYS A 153 2.680 8.957 12.369 1.00 2.31 C ATOM 2330 NZ LYS A 153 1.658 8.328 13.248 1.00 3.03 N ATOM 0 H LYS A 153 0.232 10.509 8.975 1.00 0.77 H new ATOM 0 HA LYS A 153 -1.329 12.291 10.620 1.00 0.93 H new ATOM 0 HB2 LYS A 153 1.651 12.409 10.398 1.00 1.13 H new ATOM 0 HB3 LYS A 153 0.635 12.539 11.819 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.232 10.117 11.795 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.149 9.953 10.311 1.00 1.19 H new ATOM 0 HD2 LYS A 153 3.175 10.845 11.476 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.254 10.976 12.961 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.761 8.385 11.445 1.00 2.31 H new ATOM 0 HE3 LYS A 153 3.653 8.912 12.858 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 1.993 7.392 13.555 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 1.499 8.930 14.081 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 0.767 8.222 12.723 1.00 3.03 H new ATOM 2344 N THR A 154 0.819 13.406 8.379 1.00 0.78 N ATOM 2345 CA THR A 154 1.263 14.536 7.589 1.00 0.81 C ATOM 2346 C THR A 154 0.307 14.839 6.434 1.00 0.73 C ATOM 2347 O THR A 154 0.349 15.926 5.855 1.00 0.82 O ATOM 2348 CB THR A 154 2.661 14.239 7.026 1.00 0.89 C ATOM 2349 OG1 THR A 154 3.249 13.150 7.750 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.571 15.442 7.140 1.00 1.20 C ATOM 0 H THR A 154 1.377 12.563 8.241 1.00 0.78 H new ATOM 0 HA THR A 154 1.287 15.411 8.239 1.00 0.81 H new ATOM 0 HB THR A 154 2.548 13.984 5.972 1.00 0.89 H new ATOM 0 HG1 THR A 154 4.217 13.287 7.818 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.552 15.196 6.732 1.00 1.20 H new ATOM 0 HG22 THR A 154 3.144 16.275 6.582 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.674 15.722 8.188 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.533 13.852 6.099 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.524 13.967 5.014 1.00 0.67 C ATOM 2360 C LYS A 155 -0.864 13.956 3.629 1.00 0.66 C ATOM 2361 O LYS A 155 -1.556 14.019 2.615 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.371 15.242 5.156 1.00 0.86 C ATOM 2363 CG LYS A 155 -3.358 15.236 6.313 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.484 14.247 6.086 1.00 1.12 C ATOM 2365 CE LYS A 155 -5.565 14.384 7.147 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.029 15.792 7.286 1.00 2.27 N ATOM 0 H LYS A 155 -0.547 12.948 6.572 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.171 13.094 5.101 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -1.701 16.093 5.275 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.923 15.398 4.229 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -2.835 14.986 7.236 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.773 16.236 6.442 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.918 14.408 5.099 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.087 13.232 6.098 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.411 13.747 6.889 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -5.181 14.032 8.104 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.039 15.802 7.535 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.483 16.265 8.034 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.890 16.294 6.386 1.00 2.27 H new ATOM 2380 N GLU A 156 0.467 13.850 3.605 1.00 0.62 N ATOM 2381 CA GLU A 156 1.255 13.921 2.366 1.00 0.66 C ATOM 2382 C GLU A 156 0.674 13.073 1.240 1.00 0.59 C ATOM 2383 O GLU A 156 0.082 13.590 0.284 1.00 0.58 O ATOM 2384 CB GLU A 156 2.692 13.468 2.640 1.00 0.75 C ATOM 2385 CG GLU A 156 3.566 14.547 3.241 1.00 1.13 C ATOM 2386 CD GLU A 156 3.764 15.707 2.285 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.367 15.502 1.211 1.00 2.03 O ATOM 2388 OE2 GLU A 156 3.315 16.829 2.597 1.00 2.64 O ATOM 0 H GLU A 156 1.032 13.712 4.443 1.00 0.62 H new ATOM 0 HA GLU A 156 1.230 14.961 2.039 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.671 12.612 3.315 1.00 0.75 H new ATOM 0 HB3 GLU A 156 3.140 13.128 1.707 1.00 0.75 H new ATOM 0 HG2 GLU A 156 3.113 14.910 4.164 1.00 1.13 H new ATOM 0 HG3 GLU A 156 4.535 14.124 3.506 1.00 1.13 H new ATOM 2395 N GLY A 157 0.851 11.772 1.360 1.00 0.62 N ATOM 2396 CA GLY A 157 0.426 10.865 0.326 1.00 0.61 C ATOM 2397 C GLY A 157 -1.074 10.699 0.248 1.00 0.48 C ATOM 2398 O GLY A 157 -1.570 10.054 -0.663 1.00 0.46 O ATOM 0 H GLY A 157 1.287 11.324 2.166 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.794 11.224 -0.635 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.883 9.890 0.498 1.00 0.61 H new ATOM 2402 N LEU A 158 -1.801 11.277 1.198 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.250 11.176 1.201 1.00 0.50 C ATOM 2404 C LEU A 158 -3.848 12.052 0.114 1.00 0.46 C ATOM 2405 O LEU A 158 -4.754 11.633 -0.606 1.00 0.51 O ATOM 2406 CB LEU A 158 -3.808 11.559 2.570 1.00 0.62 C ATOM 2407 CG LEU A 158 -3.597 10.510 3.664 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.117 11.015 4.999 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.285 9.207 3.289 1.00 1.27 C ATOM 0 H LEU A 158 -1.411 11.817 1.970 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.525 10.142 0.995 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.345 12.493 2.887 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.876 11.751 2.471 1.00 0.62 H new ATOM 0 HG LEU A 158 -2.527 10.325 3.759 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -3.957 10.254 5.763 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -3.585 11.925 5.276 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -5.183 11.229 4.917 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.125 8.471 4.077 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.354 9.382 3.167 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.870 8.832 2.354 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.325 13.262 -0.016 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.732 14.141 -1.102 1.00 0.57 C ATOM 2423 C ASP A 159 -3.269 13.556 -2.422 1.00 0.50 C ATOM 2424 O ASP A 159 -3.996 13.572 -3.411 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.153 15.545 -0.931 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.707 16.276 0.275 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.866 16.738 0.223 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.982 16.396 1.281 1.00 2.50 O ATOM 0 H ASP A 159 -2.624 13.655 0.611 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.819 14.221 -1.088 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -2.069 15.475 -0.839 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -3.360 16.128 -1.828 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.054 13.015 -2.415 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.482 12.393 -3.603 1.00 0.46 C ATOM 2435 C HIS A 160 -2.281 11.151 -3.992 1.00 0.41 C ATOM 2436 O HIS A 160 -2.374 10.802 -5.168 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.015 12.027 -3.351 1.00 0.50 C ATOM 2438 CG HIS A 160 0.728 11.604 -4.581 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.108 12.486 -5.566 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.164 10.387 -4.983 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.742 11.833 -6.520 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.795 10.557 -6.193 1.00 0.67 N ATOM 0 H HIS A 160 -1.446 12.995 -1.597 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.529 13.105 -4.427 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.492 12.885 -2.910 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.027 11.221 -2.619 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.039 9.455 -4.452 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.150 12.270 -7.419 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.231 9.819 -6.745 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.855 10.494 -2.992 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.663 9.302 -3.208 1.00 0.39 C ATOM 2453 C LEU A 161 -4.897 9.633 -4.035 1.00 0.39 C ATOM 2454 O LEU A 161 -5.144 9.014 -5.069 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.081 8.703 -1.863 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.932 7.437 -1.947 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -4.169 6.331 -2.654 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.359 6.995 -0.558 1.00 0.88 C ATOM 0 H LEU A 161 -2.774 10.771 -2.014 1.00 0.39 H new ATOM 0 HA LEU A 161 -3.065 8.573 -3.755 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.182 8.479 -1.289 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.636 9.457 -1.305 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.828 7.657 -2.527 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.789 5.436 -2.705 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.913 6.653 -3.663 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -3.256 6.108 -2.102 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.965 6.092 -0.634 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.475 6.790 0.046 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.944 7.786 -0.088 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.661 10.621 -3.576 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.853 11.071 -4.284 1.00 0.44 C ATOM 2472 C LEU A 162 -6.517 11.444 -5.724 1.00 0.45 C ATOM 2473 O LEU A 162 -7.271 11.136 -6.642 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.453 12.277 -3.562 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.851 12.036 -2.103 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.351 13.323 -1.470 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -8.913 10.950 -2.006 1.00 1.06 C ATOM 0 H LEU A 162 -5.473 11.127 -2.711 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.578 10.257 -4.300 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.732 13.094 -3.594 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.334 12.607 -4.112 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.968 11.701 -1.559 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.630 13.134 -0.433 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.562 14.075 -1.503 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.220 13.685 -2.019 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.181 10.795 -0.961 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.797 11.255 -2.566 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.523 10.021 -2.422 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.362 12.079 -5.910 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.914 12.497 -7.235 1.00 0.52 C ATOM 2491 C GLU A 163 -4.737 11.289 -8.146 1.00 0.51 C ATOM 2492 O GLU A 163 -5.222 11.271 -9.279 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.589 13.253 -7.134 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.657 14.508 -6.284 1.00 1.06 C ATOM 2495 CD GLU A 163 -4.529 15.585 -6.890 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -5.766 15.503 -6.738 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -3.990 16.500 -7.543 1.00 1.97 O ATOM 0 H GLU A 163 -4.717 12.316 -5.156 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.674 13.154 -7.657 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.833 12.586 -6.719 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.260 13.524 -8.137 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.040 14.251 -5.296 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -2.650 14.900 -6.143 1.00 1.06 H new ATOM 2504 N MET A 164 -4.046 10.278 -7.635 1.00 0.49 N ATOM 2505 CA MET A 164 -3.764 9.073 -8.403 1.00 0.52 C ATOM 2506 C MET A 164 -5.036 8.270 -8.638 1.00 0.51 C ATOM 2507 O MET A 164 -5.249 7.735 -9.727 1.00 0.57 O ATOM 2508 CB MET A 164 -2.723 8.213 -7.686 1.00 0.53 C ATOM 2509 CG MET A 164 -1.358 8.877 -7.528 1.00 0.68 C ATOM 2510 SD MET A 164 -0.495 9.153 -9.093 1.00 0.87 S ATOM 2511 CE MET A 164 -1.281 10.652 -9.690 1.00 0.67 C ATOM 0 H MET A 164 -3.669 10.269 -6.687 1.00 0.49 H new ATOM 0 HA MET A 164 -3.364 9.375 -9.371 1.00 0.52 H new ATOM 0 HB2 MET A 164 -3.103 7.952 -6.698 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.598 7.280 -8.236 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.486 9.833 -7.021 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.735 8.256 -6.885 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.525 11.318 -10.106 1.00 0.67 H new ATOM 0 HE2 MET A 164 -2.007 10.399 -10.463 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.789 11.150 -8.864 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.878 8.200 -7.615 1.00 0.48 N ATOM 2522 CA ILE A 165 -7.154 7.534 -7.710 1.00 0.51 C ATOM 2523 C ILE A 165 -8.012 8.177 -8.801 1.00 0.58 C ATOM 2524 O ILE A 165 -8.576 7.482 -9.643 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.878 7.600 -6.353 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.209 6.648 -5.357 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.349 7.281 -6.502 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.768 6.750 -3.957 1.00 0.50 C ATOM 0 H ILE A 165 -5.688 8.606 -6.699 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.988 6.490 -7.974 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.802 8.618 -5.970 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.324 5.624 -5.712 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.140 6.857 -5.329 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.834 7.336 -5.527 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.811 8.001 -7.178 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.464 6.276 -6.909 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.248 6.048 -3.305 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.629 7.764 -3.583 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.832 6.512 -3.972 1.00 0.50 H new ATOM 2540 N LEU A 166 -8.089 9.508 -8.784 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.822 10.254 -9.800 1.00 0.72 C ATOM 2542 C LEU A 166 -8.268 9.979 -11.188 1.00 0.72 C ATOM 2543 O LEU A 166 -9.023 9.718 -12.126 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.740 11.748 -9.506 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.564 12.221 -8.314 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.255 13.673 -7.992 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.044 12.041 -8.597 1.00 1.48 C ATOM 0 H LEU A 166 -7.649 10.092 -8.072 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.862 9.930 -9.773 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.696 12.011 -9.333 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.064 12.295 -10.391 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.299 11.617 -7.446 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -9.853 13.992 -7.138 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.197 13.775 -7.752 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.493 14.296 -8.854 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.623 12.382 -7.739 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.320 12.624 -9.476 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -11.254 10.987 -8.780 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.947 10.033 -11.304 1.00 0.69 N ATOM 2560 CA LEU A 167 -6.272 9.790 -12.573 1.00 0.79 C ATOM 2561 C LEU A 167 -6.671 8.433 -13.140 1.00 0.87 C ATOM 2562 O LEU A 167 -7.006 8.310 -14.316 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.754 9.857 -12.394 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.939 9.677 -13.677 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -4.250 10.789 -14.669 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -2.451 9.648 -13.361 1.00 1.41 C ATOM 0 H LEU A 167 -6.318 10.244 -10.529 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.577 10.566 -13.275 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.498 10.820 -11.952 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.454 9.089 -11.681 1.00 0.84 H new ATOM 0 HG LEU A 167 -4.216 8.725 -14.130 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -3.661 10.644 -15.575 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -5.311 10.768 -14.919 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -4.001 11.753 -14.225 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.885 9.519 -14.284 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -2.162 10.585 -12.886 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -2.238 8.818 -12.687 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.656 7.418 -12.288 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.979 6.077 -12.707 1.00 0.96 C ATOM 2580 C VAL A 168 -8.477 5.912 -12.941 1.00 1.01 C ATOM 2581 O VAL A 168 -8.883 5.312 -13.922 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.471 5.054 -11.679 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.966 3.667 -12.013 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.954 5.070 -11.641 1.00 1.14 C ATOM 0 H VAL A 168 -6.421 7.507 -11.299 1.00 0.83 H new ATOM 0 HA VAL A 168 -6.476 5.893 -13.656 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.858 5.329 -10.698 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.594 2.960 -11.272 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -8.056 3.659 -12.008 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.606 3.380 -13.001 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.601 4.343 -10.910 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.563 4.815 -12.626 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.608 6.064 -11.360 1.00 1.14 H new ATOM 2594 N SER A 169 -9.295 6.478 -12.065 1.00 0.98 N ATOM 2595 CA SER A 169 -10.748 6.397 -12.220 1.00 1.14 C ATOM 2596 C SER A 169 -11.192 7.046 -13.534 1.00 1.22 C ATOM 2597 O SER A 169 -12.224 6.683 -14.108 1.00 1.41 O ATOM 2598 CB SER A 169 -11.444 7.071 -11.036 1.00 1.20 C ATOM 2599 OG SER A 169 -11.060 6.466 -9.813 1.00 1.54 O ATOM 0 H SER A 169 -8.984 6.996 -11.243 1.00 0.98 H new ATOM 0 HA SER A 169 -11.032 5.345 -12.245 1.00 1.14 H new ATOM 0 HB2 SER A 169 -11.192 8.131 -11.017 1.00 1.20 H new ATOM 0 HB3 SER A 169 -12.525 7.002 -11.157 1.00 1.20 H new ATOM 0 HG SER A 169 -10.258 6.910 -9.466 1.00 1.54 H new ATOM 2605 N GLU A 170 -10.400 7.999 -14.004 1.00 1.15 N ATOM 2606 CA GLU A 170 -10.663 8.671 -15.264 1.00 1.33 C ATOM 2607 C GLU A 170 -10.122 7.860 -16.443 1.00 1.37 C ATOM 2608 O GLU A 170 -10.813 7.668 -17.445 1.00 1.53 O ATOM 2609 CB GLU A 170 -10.026 10.063 -15.247 1.00 1.46 C ATOM 2610 CG GLU A 170 -10.231 10.852 -16.526 1.00 2.02 C ATOM 2611 CD GLU A 170 -9.567 12.210 -16.481 1.00 2.31 C ATOM 2612 OE1 GLU A 170 -8.379 12.308 -16.850 1.00 2.79 O ATOM 2613 OE2 GLU A 170 -10.229 13.190 -16.076 1.00 2.65 O ATOM 0 H GLU A 170 -9.561 8.325 -13.524 1.00 1.15 H new ATOM 0 HA GLU A 170 -11.742 8.766 -15.387 1.00 1.33 H new ATOM 0 HB2 GLU A 170 -10.439 10.630 -14.413 1.00 1.46 H new ATOM 0 HB3 GLU A 170 -8.957 9.959 -15.064 1.00 1.46 H new ATOM 0 HG2 GLU A 170 -9.833 10.284 -17.367 1.00 2.02 H new ATOM 0 HG3 GLU A 170 -11.299 10.979 -16.704 1.00 2.02 H new ATOM 2620 N MET A 171 -8.891 7.371 -16.314 1.00 1.30 N ATOM 2621 CA MET A 171 -8.222 6.714 -17.434 1.00 1.44 C ATOM 2622 C MET A 171 -8.530 5.219 -17.500 1.00 1.51 C ATOM 2623 O MET A 171 -8.205 4.581 -18.492 1.00 1.76 O ATOM 2624 CB MET A 171 -6.705 6.916 -17.363 1.00 1.40 C ATOM 2625 CG MET A 171 -6.013 6.009 -16.358 1.00 1.67 C ATOM 2626 SD MET A 171 -4.218 6.172 -16.395 1.00 1.82 S ATOM 2627 CE MET A 171 -3.743 4.850 -15.286 1.00 1.77 C ATOM 0 H MET A 171 -8.342 7.416 -15.456 1.00 1.30 H new ATOM 0 HA MET A 171 -8.611 7.181 -18.339 1.00 1.44 H new ATOM 0 HB2 MET A 171 -6.278 6.742 -18.351 1.00 1.40 H new ATOM 0 HB3 MET A 171 -6.498 7.954 -17.105 1.00 1.40 H new ATOM 0 HG2 MET A 171 -6.374 6.241 -15.356 1.00 1.67 H new ATOM 0 HG3 MET A 171 -6.284 4.973 -16.563 1.00 1.67 H new ATOM 0 HE1 MET A 171 -3.173 5.261 -14.453 1.00 1.77 H new ATOM 0 HE2 MET A 171 -4.637 4.355 -14.906 1.00 1.77 H new ATOM 0 HE3 MET A 171 -3.129 4.127 -15.823 1.00 1.77 H new ATOM 2637 N GLU A 172 -9.129 4.667 -16.446 1.00 1.43 N ATOM 2638 CA GLU A 172 -9.487 3.239 -16.396 1.00 1.58 C ATOM 2639 C GLU A 172 -10.255 2.788 -17.641 1.00 1.73 C ATOM 2640 O GLU A 172 -10.140 1.639 -18.074 1.00 2.00 O ATOM 2641 CB GLU A 172 -10.335 2.948 -15.155 1.00 1.62 C ATOM 2642 CG GLU A 172 -9.693 1.963 -14.192 1.00 2.05 C ATOM 2643 CD GLU A 172 -9.390 0.628 -14.840 1.00 2.83 C ATOM 2644 OE1 GLU A 172 -10.281 -0.243 -14.857 1.00 3.31 O ATOM 2645 OE2 GLU A 172 -8.263 0.440 -15.331 1.00 3.45 O ATOM 0 H GLU A 172 -9.381 5.187 -15.606 1.00 1.43 H new ATOM 0 HA GLU A 172 -8.552 2.681 -16.354 1.00 1.58 H new ATOM 0 HB2 GLU A 172 -10.527 3.884 -14.629 1.00 1.62 H new ATOM 0 HB3 GLU A 172 -11.302 2.556 -15.471 1.00 1.62 H new ATOM 0 HG2 GLU A 172 -8.770 2.391 -13.802 1.00 2.05 H new ATOM 0 HG3 GLU A 172 -10.356 1.807 -13.341 1.00 2.05 H new ATOM 2652 N GLU A 173 -11.034 3.696 -18.207 1.00 1.74 N ATOM 2653 CA GLU A 173 -11.839 3.394 -19.383 1.00 2.08 C ATOM 2654 C GLU A 173 -10.969 3.252 -20.632 1.00 2.36 C ATOM 2655 O GLU A 173 -11.355 2.599 -21.602 1.00 2.69 O ATOM 2656 CB GLU A 173 -12.883 4.488 -19.580 1.00 2.29 C ATOM 2657 CG GLU A 173 -13.832 4.633 -18.404 1.00 2.72 C ATOM 2658 CD GLU A 173 -14.768 5.806 -18.564 1.00 2.95 C ATOM 2659 OE1 GLU A 173 -15.718 5.702 -19.368 1.00 3.18 O ATOM 2660 OE2 GLU A 173 -14.550 6.840 -17.900 1.00 3.36 O ATOM 0 H GLU A 173 -11.127 4.654 -17.870 1.00 1.74 H new ATOM 0 HA GLU A 173 -12.341 2.439 -19.224 1.00 2.08 H new ATOM 0 HB2 GLU A 173 -12.376 5.438 -19.748 1.00 2.29 H new ATOM 0 HB3 GLU A 173 -13.460 4.272 -20.479 1.00 2.29 H new ATOM 0 HG2 GLU A 173 -14.415 3.718 -18.295 1.00 2.72 H new ATOM 0 HG3 GLU A 173 -13.255 4.754 -17.487 1.00 2.72 H new ATOM 2667 N LEU A 174 -9.792 3.864 -20.591 1.00 2.34 N ATOM 2668 CA LEU A 174 -8.838 3.797 -21.694 1.00 2.77 C ATOM 2669 C LEU A 174 -7.736 2.801 -21.351 1.00 2.83 C ATOM 2670 O LEU A 174 -7.607 1.755 -21.987 1.00 3.15 O ATOM 2671 CB LEU A 174 -8.240 5.186 -21.953 1.00 3.04 C ATOM 2672 CG LEU A 174 -7.204 5.258 -23.078 1.00 3.65 C ATOM 2673 CD1 LEU A 174 -7.843 4.937 -24.418 1.00 4.14 C ATOM 2674 CD2 LEU A 174 -6.550 6.631 -23.112 1.00 4.09 C ATOM 0 H LEU A 174 -9.472 4.418 -19.797 1.00 2.34 H new ATOM 0 HA LEU A 174 -9.349 3.465 -22.598 1.00 2.77 H new ATOM 0 HB2 LEU A 174 -9.052 5.874 -22.186 1.00 3.04 H new ATOM 0 HB3 LEU A 174 -7.776 5.540 -21.032 1.00 3.04 H new ATOM 0 HG LEU A 174 -6.433 4.513 -22.882 1.00 3.65 H new ATOM 0 HD11 LEU A 174 -7.089 4.994 -25.203 1.00 4.14 H new ATOM 0 HD12 LEU A 174 -8.262 3.931 -24.390 1.00 4.14 H new ATOM 0 HD13 LEU A 174 -8.637 5.655 -24.624 1.00 4.14 H new ATOM 0 HD21 LEU A 174 -5.816 6.665 -23.917 1.00 4.09 H new ATOM 0 HD22 LEU A 174 -7.311 7.392 -23.282 1.00 4.09 H new ATOM 0 HD23 LEU A 174 -6.053 6.821 -22.161 1.00 4.09 H new ATOM 2686 N LYS A 175 -6.961 3.151 -20.325 1.00 2.71 N ATOM 2687 CA LYS A 175 -5.933 2.286 -19.753 1.00 2.98 C ATOM 2688 C LYS A 175 -4.850 1.913 -20.765 1.00 2.92 C ATOM 2689 O LYS A 175 -5.013 1.008 -21.586 1.00 3.27 O ATOM 2690 CB LYS A 175 -6.588 1.044 -19.155 1.00 3.56 C ATOM 2691 CG LYS A 175 -5.619 0.065 -18.526 1.00 3.99 C ATOM 2692 CD LYS A 175 -6.314 -0.769 -17.462 1.00 4.91 C ATOM 2693 CE LYS A 175 -7.648 -1.305 -17.957 1.00 5.73 C ATOM 2694 NZ LYS A 175 -8.517 -1.740 -16.836 1.00 6.31 N ATOM 0 H LYS A 175 -7.032 4.057 -19.862 1.00 2.71 H new ATOM 0 HA LYS A 175 -5.427 2.841 -18.963 1.00 2.98 H new ATOM 0 HB2 LYS A 175 -7.310 1.357 -18.401 1.00 3.56 H new ATOM 0 HB3 LYS A 175 -7.147 0.531 -19.938 1.00 3.56 H new ATOM 0 HG2 LYS A 175 -5.204 -0.588 -19.294 1.00 3.99 H new ATOM 0 HG3 LYS A 175 -4.783 0.607 -18.083 1.00 3.99 H new ATOM 0 HD2 LYS A 175 -5.671 -1.601 -17.173 1.00 4.91 H new ATOM 0 HD3 LYS A 175 -6.473 -0.163 -16.570 1.00 4.91 H new ATOM 0 HE2 LYS A 175 -8.158 -0.534 -18.534 1.00 5.73 H new ATOM 0 HE3 LYS A 175 -7.475 -2.145 -18.630 1.00 5.73 H new ATOM 0 HZ1 LYS A 175 -9.515 -1.614 -17.101 1.00 6.31 H new ATOM 0 HZ2 LYS A 175 -8.338 -2.743 -16.627 1.00 6.31 H new ATOM 0 HZ3 LYS A 175 -8.308 -1.168 -15.993 1.00 6.31 H new ATOM 2708 N ALA A 176 -3.731 2.617 -20.680 1.00 3.23 N ATOM 2709 CA ALA A 176 -2.600 2.370 -21.558 1.00 3.81 C ATOM 2710 C ALA A 176 -1.448 1.755 -20.771 1.00 4.06 C ATOM 2711 O ALA A 176 -0.525 2.452 -20.347 1.00 4.47 O ATOM 2712 CB ALA A 176 -2.163 3.665 -22.231 1.00 4.57 C ATOM 0 H ALA A 176 -3.583 3.369 -20.007 1.00 3.23 H new ATOM 0 HA ALA A 176 -2.902 1.666 -22.333 1.00 3.81 H new ATOM 0 HB1 ALA A 176 -1.315 3.466 -22.886 1.00 4.57 H new ATOM 0 HB2 ALA A 176 -2.989 4.067 -22.818 1.00 4.57 H new ATOM 0 HB3 ALA A 176 -1.872 4.390 -21.471 1.00 4.57 H new ATOM 2718 N ASN A 177 -1.518 0.450 -20.561 1.00 4.28 N ATOM 2719 CA ASN A 177 -0.478 -0.264 -19.834 1.00 4.87 C ATOM 2720 C ASN A 177 0.259 -1.220 -20.767 1.00 5.36 C ATOM 2721 O ASN A 177 -0.276 -1.613 -21.803 1.00 5.81 O ATOM 2722 CB ASN A 177 -1.064 -1.026 -18.630 1.00 5.37 C ATOM 2723 CG ASN A 177 -2.266 -1.898 -18.977 1.00 5.96 C ATOM 2724 OD1 ASN A 177 -2.427 -2.354 -20.108 1.00 6.37 O ATOM 2725 ND2 ASN A 177 -3.125 -2.140 -17.999 1.00 6.38 N ATOM 0 H ASN A 177 -2.286 -0.138 -20.884 1.00 4.28 H new ATOM 0 HA ASN A 177 0.232 0.469 -19.451 1.00 4.87 H new ATOM 0 HB2 ASN A 177 -0.286 -1.653 -18.196 1.00 5.37 H new ATOM 0 HB3 ASN A 177 -1.358 -0.307 -17.865 1.00 5.37 H new ATOM 0 HD21 ASN A 177 -3.947 -2.718 -18.174 1.00 6.38 H new ATOM 0 HD22 ASN A 177 -2.965 -1.748 -17.071 1.00 6.38 H new ATOM 2732 N PRO A 178 1.511 -1.567 -20.440 1.00 5.69 N ATOM 2733 CA PRO A 178 2.299 -2.518 -21.220 1.00 6.51 C ATOM 2734 C PRO A 178 1.954 -3.961 -20.871 1.00 7.07 C ATOM 2735 O PRO A 178 0.931 -4.470 -21.377 1.00 7.39 O ATOM 2736 CB PRO A 178 3.751 -2.203 -20.821 1.00 6.95 C ATOM 2737 CG PRO A 178 3.679 -1.060 -19.856 1.00 6.50 C ATOM 2738 CD PRO A 178 2.282 -1.048 -19.312 1.00 5.73 C ATOM 2739 OXT PRO A 178 2.703 -4.582 -20.088 1.00 7.47 O ATOM 0 HA PRO A 178 2.113 -2.423 -22.290 1.00 6.51 H new ATOM 0 HB2 PRO A 178 4.226 -3.070 -20.363 1.00 6.95 H new ATOM 0 HB3 PRO A 178 4.346 -1.938 -21.695 1.00 6.95 H new ATOM 0 HG2 PRO A 178 4.406 -1.184 -19.054 1.00 6.50 H new ATOM 0 HG3 PRO A 178 3.910 -0.118 -20.353 1.00 6.50 H new ATOM 0 HD2 PRO A 178 2.184 -1.677 -18.427 1.00 5.73 H new ATOM 0 HD3 PRO A 178 1.964 -0.045 -19.027 1.00 5.73 H new TER 2747 PRO A 178