USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1190 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 94 SER OG : rot -112:sc= -1.04! USER MOD Set 1.2: A 139 HIS : no HE2:sc= -0.139 K(o=-1.2,f=-1.8) USER MOD Set 2.1: A 29 HIS : no HE2:sc= -1.3 K(o=-4.4,f=-3.6) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -4.73! C(o=-4.4!,f=-3.9!) USER MOD Set 2.3: A 133 SER OG : rot -139:sc= 1.19 USER MOD Set 2.4: A 137 CYS SG : rot 127:sc= 0.47 USER MOD Set 3.1: A 128 THR OG1 : rot -69:sc= 1.48 USER MOD Set 3.2: A 131 SER OG : rot -150:sc= 1.46 USER MOD Set 4.1: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 85 GLN : amide:sc= -0.968 K(o=-0.97,f=0) USER MOD Set 5.1: A 75 CYS SG : rot -44:sc= 0.0799! USER MOD Set 5.2: A 83 ASN : amide:sc= 0.849! C(o=0.93!,f=-15!) USER MOD Set 6.1: A 27 THR OG1 : rot -165:sc= 0.952 USER MOD Set 6.2: A 86 SER OG : rot 156:sc= -0.387 USER MOD Set 7.1: A 16 LYS NZ :NH3+ 168:sc= 1.72 (180deg=0.427) USER MOD Set 7.2: A 47 ASN : amide:sc= -1.08! C(o=-2.2!,f=-24!) USER MOD Set 7.3: A 52 SER OG : rot 130:sc= -2.81! USER MOD Set 8.1: A 12 LYS NZ :NH3+ 166:sc= 1.19 (180deg=0) USER MOD Set 8.2: A 48 ASN : amide:sc= 0.589 K(o=1.8,f=-5.7!) USER MOD Single : A 4 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.0041) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= -0.0331 (180deg=-0.225) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0225) USER MOD Single : A 11 SER OG : rot 82:sc= 1.22 USER MOD Single : A 13 TYR OH : rot 120:sc= -1.41! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 49:sc= -0.271 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 38:sc= 0.154 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -125:sc= -1.59! (180deg=-2.74!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -4.79! C(o=-4.8!,f=-7.3!) USER MOD Single : A 31 THR OG1 : rot 111:sc= 0.616 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.0184 K(o=0.018,f=-2.2!) USER MOD Single : A 39 ASN : amide:sc= -2.64! C(o=-2.6!,f=-5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 175:sc= -1.96 (180deg=-2.04) USER MOD Single : A 46 SER OG : rot -25:sc= 0.349 USER MOD Single : A 49 ASN : amide:sc= -0.882 K(o=-0.88,f=0) USER MOD Single : A 54 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-9.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.18) USER MOD Single : A 64 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.3) USER MOD Single : A 71 ASN : amide:sc= 0.334 K(o=0.33,f=-1.8!) USER MOD Single : A 79 ASN : amide:sc= -0.338 K(o=-0.34,f=-5.5!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 88 SER OG : rot -40:sc= -1.76! USER MOD Single : A 92 CYS SG : rot 100:sc= -2.21 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0513) USER MOD Single : A 96 SER OG : rot -130:sc= -0.415 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0.454 K(o=0.45,f=-0.67) USER MOD Single : A 114 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 116 MET CE :methyl 175:sc= -1.25 (180deg=-1.29) USER MOD Single : A 117 SER OG : rot 70:sc= 0.588 USER MOD Single : A 118 MET CE :methyl -141:sc= -0.207 (180deg=-0.55) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= 0.47 K(o=0.47,f=-1.9) USER MOD Single : A 130 GLN : amide:sc= -3.26! K(o=-3.3!,f=-1.4) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 TYR OH : rot -94:sc= 0.138 USER MOD Single : A 141 MET CE :methyl -142:sc= -1.5 (180deg=-2.07) USER MOD Single : A 152 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 153 LYS NZ :NH3+ -173:sc= 2.36 (180deg=2.16) USER MOD Single : A 155 LYS NZ :NH3+ 170:sc=-0.00383 (180deg=-0.163) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 3 9.771 9.049 0.042 1.00 52.24 N ATOM 36 CA ILE A 3 8.574 8.917 -0.752 1.00 63.23 C ATOM 37 C ILE A 3 8.420 10.162 -1.633 1.00 12.55 C ATOM 38 O ILE A 3 8.449 11.294 -1.134 1.00 2.24 O ATOM 39 CB ILE A 3 7.283 8.730 0.140 1.00 35.24 C ATOM 40 CG1 ILE A 3 7.319 7.434 1.004 1.00 60.35 C ATOM 41 CG2 ILE A 3 6.031 8.736 -0.707 1.00 2.11 C ATOM 42 CD1 ILE A 3 8.337 7.414 2.132 1.00 33.20 C ATOM 0 HA ILE A 3 8.674 8.023 -1.367 1.00 63.23 H new ATOM 0 HB ILE A 3 7.269 9.580 0.823 1.00 35.24 H new ATOM 0 HG12 ILE A 3 6.329 7.279 1.432 1.00 60.35 H new ATOM 0 HG13 ILE A 3 7.518 6.588 0.346 1.00 60.35 H new ATOM 0 HG21 ILE A 3 5.158 8.606 -0.067 1.00 2.11 H new ATOM 0 HG22 ILE A 3 5.954 9.686 -1.236 1.00 2.11 H new ATOM 0 HG23 ILE A 3 6.076 7.921 -1.429 1.00 2.11 H new ATOM 0 HD11 ILE A 3 8.272 6.465 2.664 1.00 33.20 H new ATOM 0 HD12 ILE A 3 9.339 7.531 1.720 1.00 33.20 H new ATOM 0 HD13 ILE A 3 8.131 8.232 2.822 1.00 33.20 H new ATOM 54 N GLN A 4 8.260 9.948 -2.924 1.00 34.25 N ATOM 55 CA GLN A 4 8.175 11.023 -3.889 1.00 34.55 C ATOM 56 C GLN A 4 6.720 11.445 -4.037 1.00 62.55 C ATOM 57 O GLN A 4 5.820 10.622 -3.901 1.00 14.40 O ATOM 58 CB GLN A 4 8.685 10.520 -5.229 1.00 42.04 C ATOM 59 CG GLN A 4 8.914 11.601 -6.276 1.00 54.31 C ATOM 60 CD GLN A 4 9.331 11.045 -7.628 1.00 25.11 C ATOM 61 OE1 GLN A 4 9.035 11.637 -8.657 1.00 35.14 O ATOM 62 NE2 GLN A 4 10.031 9.928 -7.639 1.00 13.44 N ATOM 0 H GLN A 4 8.185 9.017 -3.334 1.00 34.25 H new ATOM 0 HA GLN A 4 8.773 11.871 -3.556 1.00 34.55 H new ATOM 0 HB2 GLN A 4 9.622 9.987 -5.068 1.00 42.04 H new ATOM 0 HB3 GLN A 4 7.971 9.797 -5.625 1.00 42.04 H new ATOM 0 HG2 GLN A 4 7.999 12.182 -6.395 1.00 54.31 H new ATOM 0 HG3 GLN A 4 9.683 12.287 -5.919 1.00 54.31 H new ATOM 0 HE21 GLN A 4 10.260 9.461 -6.762 1.00 13.44 H new ATOM 0 HE22 GLN A 4 10.344 9.531 -8.525 1.00 13.44 H new ATOM 71 N LYS A 5 6.488 12.696 -4.316 1.00 53.11 N ATOM 72 CA LYS A 5 5.153 13.192 -4.478 1.00 3.43 C ATOM 73 C LYS A 5 4.779 13.374 -5.927 1.00 22.24 C ATOM 74 O LYS A 5 5.320 14.224 -6.616 1.00 14.00 O ATOM 75 CB LYS A 5 4.946 14.486 -3.699 1.00 14.24 C ATOM 76 CG LYS A 5 4.930 14.313 -2.190 1.00 55.22 C ATOM 77 CD LYS A 5 3.776 13.414 -1.763 1.00 4.11 C ATOM 78 CE LYS A 5 3.712 13.247 -0.261 1.00 31.12 C ATOM 79 NZ LYS A 5 3.507 14.535 0.440 1.00 14.20 N ATOM 0 H LYS A 5 7.218 13.399 -4.437 1.00 53.11 H new ATOM 0 HA LYS A 5 4.487 12.433 -4.068 1.00 3.43 H new ATOM 0 HB2 LYS A 5 5.738 15.186 -3.964 1.00 14.24 H new ATOM 0 HB3 LYS A 5 4.004 14.937 -4.011 1.00 14.24 H new ATOM 0 HG2 LYS A 5 5.875 13.882 -1.858 1.00 55.22 H new ATOM 0 HG3 LYS A 5 4.837 15.286 -1.708 1.00 55.22 H new ATOM 0 HD2 LYS A 5 2.837 13.836 -2.121 1.00 4.11 H new ATOM 0 HD3 LYS A 5 3.886 12.436 -2.232 1.00 4.11 H new ATOM 0 HE2 LYS A 5 2.900 12.565 -0.008 1.00 31.12 H new ATOM 0 HE3 LYS A 5 4.636 12.788 0.091 1.00 31.12 H new ATOM 0 HZ1 LYS A 5 3.251 14.354 1.432 1.00 14.20 H new ATOM 0 HZ2 LYS A 5 4.384 15.093 0.405 1.00 14.20 H new ATOM 0 HZ3 LYS A 5 2.741 15.065 -0.024 1.00 14.20 H new ATOM 93 N LYS A 6 3.871 12.550 -6.382 1.00 21.34 N ATOM 94 CA LYS A 6 3.306 12.650 -7.724 1.00 51.22 C ATOM 95 C LYS A 6 1.822 12.549 -7.614 1.00 54.01 C ATOM 96 O LYS A 6 1.149 12.105 -8.544 1.00 71.51 O ATOM 97 CB LYS A 6 3.802 11.531 -8.636 1.00 70.51 C ATOM 98 CG LYS A 6 5.275 11.561 -8.935 1.00 64.10 C ATOM 99 CD LYS A 6 5.658 10.448 -9.907 1.00 23.14 C ATOM 100 CE LYS A 6 4.982 10.587 -11.278 1.00 32.03 C ATOM 101 NZ LYS A 6 5.369 11.830 -11.994 1.00 31.21 N ATOM 0 H LYS A 6 3.492 11.778 -5.833 1.00 21.34 H new ATOM 0 HA LYS A 6 3.616 13.601 -8.157 1.00 51.22 H new ATOM 0 HB2 LYS A 6 3.559 10.573 -8.176 1.00 70.51 H new ATOM 0 HB3 LYS A 6 3.254 11.580 -9.577 1.00 70.51 H new ATOM 0 HG2 LYS A 6 5.544 12.528 -9.360 1.00 64.10 H new ATOM 0 HG3 LYS A 6 5.840 11.451 -8.009 1.00 64.10 H new ATOM 0 HD2 LYS A 6 6.740 10.447 -10.040 1.00 23.14 H new ATOM 0 HD3 LYS A 6 5.389 9.485 -9.472 1.00 23.14 H new ATOM 0 HE2 LYS A 6 5.240 9.725 -11.893 1.00 32.03 H new ATOM 0 HE3 LYS A 6 3.900 10.572 -11.146 1.00 32.03 H new ATOM 0 HZ1 LYS A 6 4.949 11.828 -12.945 1.00 31.21 H new ATOM 0 HZ2 LYS A 6 5.024 12.657 -11.465 1.00 31.21 H new ATOM 0 HZ3 LYS A 6 6.405 11.877 -12.073 1.00 31.21 H new ATOM 115 N LEU A 7 1.318 13.010 -6.482 1.00 74.24 N ATOM 116 CA LEU A 7 -0.102 12.939 -6.148 1.00 71.53 C ATOM 117 C LEU A 7 -0.998 13.407 -7.300 1.00 55.04 C ATOM 118 O LEU A 7 -0.674 14.371 -8.023 1.00 33.11 O ATOM 119 CB LEU A 7 -0.418 13.711 -4.861 1.00 31.43 C ATOM 120 CG LEU A 7 0.350 13.284 -3.596 1.00 62.55 C ATOM 121 CD1 LEU A 7 -0.121 14.074 -2.398 1.00 11.13 C ATOM 122 CD2 LEU A 7 0.213 11.795 -3.333 1.00 61.15 C ATOM 0 H LEU A 7 1.886 13.450 -5.758 1.00 74.24 H new ATOM 0 HA LEU A 7 -0.325 11.886 -5.975 1.00 71.53 H new ATOM 0 HB2 LEU A 7 -0.220 14.768 -5.040 1.00 31.43 H new ATOM 0 HB3 LEU A 7 -1.485 13.617 -4.660 1.00 31.43 H new ATOM 0 HG LEU A 7 1.406 13.495 -3.766 1.00 62.55 H new ATOM 0 HD11 LEU A 7 0.433 13.759 -1.514 1.00 11.13 H new ATOM 0 HD12 LEU A 7 0.049 15.136 -2.573 1.00 11.13 H new ATOM 0 HD13 LEU A 7 -1.185 13.898 -2.242 1.00 11.13 H new ATOM 0 HD21 LEU A 7 0.768 11.532 -2.433 1.00 61.15 H new ATOM 0 HD22 LEU A 7 -0.839 11.545 -3.197 1.00 61.15 H new ATOM 0 HD23 LEU A 7 0.611 11.238 -4.181 1.00 61.15 H new ATOM 134 N VAL A 8 -2.112 12.737 -7.441 1.00 21.45 N ATOM 135 CA VAL A 8 -3.039 12.946 -8.542 1.00 55.53 C ATOM 136 C VAL A 8 -3.738 14.318 -8.426 1.00 73.24 C ATOM 137 O VAL A 8 -3.849 14.883 -7.325 1.00 32.42 O ATOM 138 CB VAL A 8 -4.104 11.818 -8.552 1.00 11.12 C ATOM 139 CG1 VAL A 8 -5.046 11.926 -7.358 1.00 1.12 C ATOM 140 CG2 VAL A 8 -4.864 11.787 -9.850 1.00 24.31 C ATOM 0 H VAL A 8 -2.413 12.016 -6.786 1.00 21.45 H new ATOM 0 HA VAL A 8 -2.473 12.926 -9.473 1.00 55.53 H new ATOM 0 HB VAL A 8 -3.572 10.871 -8.463 1.00 11.12 H new ATOM 0 HG11 VAL A 8 -5.778 11.120 -7.398 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -4.473 11.850 -6.434 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -5.561 12.886 -7.387 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -5.601 10.985 -9.821 1.00 24.31 H new ATOM 0 HG22 VAL A 8 -5.371 12.740 -9.998 1.00 24.31 H new ATOM 0 HG23 VAL A 8 -4.171 11.613 -10.673 1.00 24.31 H new ATOM 150 N ASP A 9 -4.162 14.860 -9.565 1.00 41.01 N ATOM 151 CA ASP A 9 -4.781 16.169 -9.618 1.00 0.53 C ATOM 152 C ASP A 9 -6.182 16.113 -9.039 1.00 23.40 C ATOM 153 O ASP A 9 -6.889 15.134 -9.243 1.00 10.41 O ATOM 154 CB ASP A 9 -4.828 16.666 -11.066 1.00 43.13 C ATOM 155 CG ASP A 9 -5.515 17.999 -11.215 1.00 4.32 C ATOM 156 OD1 ASP A 9 -4.873 19.038 -11.010 1.00 21.21 O ATOM 157 OD2 ASP A 9 -6.705 18.022 -11.532 1.00 4.42 O ATOM 0 H ASP A 9 -4.083 14.400 -10.472 1.00 41.01 H new ATOM 0 HA ASP A 9 -4.187 16.863 -9.024 1.00 0.53 H new ATOM 0 HB2 ASP A 9 -3.811 16.744 -11.450 1.00 43.13 H new ATOM 0 HB3 ASP A 9 -5.344 15.928 -11.680 1.00 43.13 H new ATOM 162 N PRO A 10 -6.604 17.154 -8.294 1.00 72.23 N ATOM 163 CA PRO A 10 -7.939 17.214 -7.687 1.00 20.23 C ATOM 164 C PRO A 10 -9.112 17.030 -8.677 1.00 75.10 C ATOM 165 O PRO A 10 -10.221 16.733 -8.256 1.00 53.33 O ATOM 166 CB PRO A 10 -7.994 18.593 -7.037 1.00 13.12 C ATOM 167 CG PRO A 10 -6.573 18.982 -6.833 1.00 52.43 C ATOM 168 CD PRO A 10 -5.795 18.341 -7.939 1.00 71.31 C ATOM 0 HA PRO A 10 -8.067 16.387 -6.989 1.00 20.23 H new ATOM 0 HB2 PRO A 10 -8.511 19.309 -7.675 1.00 13.12 H new ATOM 0 HB3 PRO A 10 -8.534 18.562 -6.091 1.00 13.12 H new ATOM 0 HG2 PRO A 10 -6.460 20.066 -6.857 1.00 52.43 H new ATOM 0 HG3 PRO A 10 -6.214 18.645 -5.860 1.00 52.43 H new ATOM 0 HD2 PRO A 10 -5.677 19.014 -8.788 1.00 71.31 H new ATOM 0 HD3 PRO A 10 -4.793 18.060 -7.614 1.00 71.31 H new ATOM 176 N SER A 11 -8.872 17.181 -9.972 1.00 43.03 N ATOM 177 CA SER A 11 -9.938 16.991 -10.957 1.00 54.04 C ATOM 178 C SER A 11 -10.170 15.489 -11.175 1.00 45.34 C ATOM 179 O SER A 11 -11.235 15.053 -11.632 1.00 61.24 O ATOM 180 CB SER A 11 -9.552 17.653 -12.278 1.00 74.21 C ATOM 181 OG SER A 11 -9.121 18.994 -12.057 1.00 72.34 O ATOM 0 H SER A 11 -7.965 17.431 -10.365 1.00 43.03 H new ATOM 0 HA SER A 11 -10.855 17.450 -10.588 1.00 54.04 H new ATOM 0 HB2 SER A 11 -8.756 17.083 -12.758 1.00 74.21 H new ATOM 0 HB3 SER A 11 -10.404 17.646 -12.958 1.00 74.21 H new ATOM 0 HG SER A 11 -8.184 18.993 -11.770 1.00 72.34 H new ATOM 187 N LYS A 12 -9.160 14.706 -10.814 1.00 34.42 N ATOM 188 CA LYS A 12 -9.161 13.260 -10.998 1.00 14.31 C ATOM 189 C LYS A 12 -9.540 12.616 -9.712 1.00 62.12 C ATOM 190 O LYS A 12 -9.643 11.376 -9.622 1.00 63.25 O ATOM 191 CB LYS A 12 -7.757 12.781 -11.352 1.00 44.13 C ATOM 192 CG LYS A 12 -7.056 13.613 -12.405 1.00 74.14 C ATOM 193 CD LYS A 12 -7.849 13.685 -13.667 1.00 20.25 C ATOM 194 CE LYS A 12 -7.932 12.332 -14.366 1.00 41.45 C ATOM 195 NZ LYS A 12 -8.757 12.382 -15.590 1.00 4.34 N ATOM 0 H LYS A 12 -8.308 15.062 -10.380 1.00 34.42 H new ATOM 0 HA LYS A 12 -9.860 13.003 -11.794 1.00 14.31 H new ATOM 0 HB2 LYS A 12 -7.149 12.777 -10.447 1.00 44.13 H new ATOM 0 HB3 LYS A 12 -7.816 11.750 -11.701 1.00 44.13 H new ATOM 0 HG2 LYS A 12 -6.889 14.620 -12.022 1.00 74.14 H new ATOM 0 HG3 LYS A 12 -6.076 13.185 -12.615 1.00 74.14 H new ATOM 0 HD2 LYS A 12 -8.855 14.040 -13.444 1.00 20.25 H new ATOM 0 HD3 LYS A 12 -7.396 14.413 -14.339 1.00 20.25 H new ATOM 0 HE2 LYS A 12 -6.927 11.996 -14.622 1.00 41.45 H new ATOM 0 HE3 LYS A 12 -8.350 11.596 -13.679 1.00 41.45 H new ATOM 0 HZ1 LYS A 12 -8.596 11.522 -16.153 1.00 4.34 H new ATOM 0 HZ2 LYS A 12 -9.762 12.442 -15.329 1.00 4.34 H new ATOM 0 HZ3 LYS A 12 -8.495 13.217 -16.151 1.00 4.34 H new ATOM 209 N TYR A 13 -9.755 13.450 -8.709 1.00 4.03 N ATOM 210 CA TYR A 13 -10.026 12.987 -7.389 1.00 44.22 C ATOM 211 C TYR A 13 -11.185 12.078 -7.324 1.00 11.51 C ATOM 212 O TYR A 13 -11.078 11.076 -6.746 1.00 62.55 O ATOM 213 CB TYR A 13 -10.235 14.141 -6.422 1.00 43.44 C ATOM 214 CG TYR A 13 -9.045 14.480 -5.561 1.00 20.02 C ATOM 215 CD1 TYR A 13 -7.739 14.358 -6.025 1.00 5.33 C ATOM 216 CD2 TYR A 13 -9.238 14.904 -4.264 1.00 63.22 C ATOM 217 CE1 TYR A 13 -6.666 14.659 -5.206 1.00 62.52 C ATOM 218 CE2 TYR A 13 -8.183 15.200 -3.445 1.00 42.53 C ATOM 219 CZ TYR A 13 -6.902 15.081 -3.907 1.00 62.53 C ATOM 220 OH TYR A 13 -5.851 15.377 -3.063 1.00 14.52 O ATOM 0 H TYR A 13 -9.743 14.466 -8.803 1.00 4.03 H new ATOM 0 HA TYR A 13 -9.142 12.423 -7.092 1.00 44.22 H new ATOM 0 HB2 TYR A 13 -10.514 15.027 -6.993 1.00 43.44 H new ATOM 0 HB3 TYR A 13 -11.077 13.902 -5.772 1.00 43.44 H new ATOM 0 HD1 TYR A 13 -7.561 14.024 -7.037 1.00 5.33 H new ATOM 0 HD2 TYR A 13 -10.245 15.005 -3.886 1.00 63.22 H new ATOM 0 HE1 TYR A 13 -5.655 14.566 -5.575 1.00 62.52 H new ATOM 0 HE2 TYR A 13 -8.362 15.528 -2.432 1.00 42.53 H new ATOM 0 HH TYR A 13 -5.914 16.312 -2.777 1.00 14.52 H new ATOM 230 N GLY A 14 -12.236 12.337 -8.030 1.00 51.13 N ATOM 231 CA GLY A 14 -13.394 11.494 -7.792 1.00 53.41 C ATOM 232 C GLY A 14 -13.378 10.187 -8.528 1.00 32.33 C ATOM 233 O GLY A 14 -14.325 9.413 -8.462 1.00 74.03 O ATOM 0 H GLY A 14 -12.333 13.069 -8.733 1.00 51.13 H new ATOM 0 HA2 GLY A 14 -13.467 11.293 -6.723 1.00 53.41 H new ATOM 0 HA3 GLY A 14 -14.292 12.044 -8.075 1.00 53.41 H new ATOM 237 N THR A 15 -12.308 9.924 -9.198 1.00 2.03 N ATOM 238 CA THR A 15 -12.123 8.673 -9.845 1.00 53.03 C ATOM 239 C THR A 15 -11.195 7.821 -8.979 1.00 1.22 C ATOM 240 O THR A 15 -11.379 6.620 -8.839 1.00 12.33 O ATOM 241 CB THR A 15 -11.493 8.883 -11.230 1.00 52.32 C ATOM 242 OG1 THR A 15 -12.306 9.806 -11.981 1.00 44.10 O ATOM 243 CG2 THR A 15 -11.395 7.569 -11.984 1.00 70.24 C ATOM 0 H THR A 15 -11.532 10.577 -9.312 1.00 2.03 H new ATOM 0 HA THR A 15 -13.084 8.175 -9.975 1.00 53.03 H new ATOM 0 HB THR A 15 -10.487 9.283 -11.102 1.00 52.32 H new ATOM 0 HG1 THR A 15 -11.909 9.946 -12.866 1.00 44.10 H new ATOM 0 HG21 THR A 15 -10.946 7.743 -12.962 1.00 70.24 H new ATOM 0 HG22 THR A 15 -10.777 6.871 -11.420 1.00 70.24 H new ATOM 0 HG23 THR A 15 -12.392 7.148 -12.113 1.00 70.24 H new ATOM 251 N LYS A 16 -10.233 8.488 -8.371 1.00 51.42 N ATOM 252 CA LYS A 16 -9.214 7.846 -7.551 1.00 24.22 C ATOM 253 C LYS A 16 -9.544 7.902 -6.045 1.00 63.42 C ATOM 254 O LYS A 16 -9.456 6.894 -5.340 1.00 63.52 O ATOM 255 CB LYS A 16 -7.859 8.492 -7.874 1.00 45.25 C ATOM 256 CG LYS A 16 -7.373 8.162 -9.287 1.00 54.42 C ATOM 257 CD LYS A 16 -6.911 6.722 -9.336 1.00 53.02 C ATOM 258 CE LYS A 16 -6.843 6.147 -10.714 1.00 32.54 C ATOM 259 NZ LYS A 16 -6.377 4.749 -10.659 1.00 42.44 N ATOM 0 H LYS A 16 -10.133 9.501 -8.431 1.00 51.42 H new ATOM 0 HA LYS A 16 -9.178 6.783 -7.791 1.00 24.22 H new ATOM 0 HB2 LYS A 16 -7.941 9.573 -7.765 1.00 45.25 H new ATOM 0 HB3 LYS A 16 -7.117 8.154 -7.150 1.00 45.25 H new ATOM 0 HG2 LYS A 16 -8.176 8.323 -10.006 1.00 54.42 H new ATOM 0 HG3 LYS A 16 -6.556 8.827 -9.567 1.00 54.42 H new ATOM 0 HD2 LYS A 16 -5.925 6.653 -8.876 1.00 53.02 H new ATOM 0 HD3 LYS A 16 -7.587 6.115 -8.734 1.00 53.02 H new ATOM 0 HE2 LYS A 16 -7.825 6.192 -11.184 1.00 32.54 H new ATOM 0 HE3 LYS A 16 -6.167 6.740 -11.330 1.00 32.54 H new ATOM 0 HZ1 LYS A 16 -6.525 4.297 -11.584 1.00 42.44 H new ATOM 0 HZ2 LYS A 16 -5.364 4.730 -10.422 1.00 42.44 H new ATOM 0 HZ3 LYS A 16 -6.912 4.233 -9.932 1.00 42.44 H new ATOM 273 N CYS A 17 -9.947 9.062 -5.584 1.00 34.40 N ATOM 274 CA CYS A 17 -10.287 9.288 -4.191 1.00 25.54 C ATOM 275 C CYS A 17 -11.287 10.463 -4.036 1.00 41.23 C ATOM 276 O CYS A 17 -10.902 11.583 -3.678 1.00 50.41 O ATOM 277 CB CYS A 17 -9.033 9.553 -3.384 1.00 43.44 C ATOM 278 SG CYS A 17 -8.011 10.919 -4.008 1.00 1.43 S ATOM 0 H CYS A 17 -10.051 9.890 -6.171 1.00 34.40 H new ATOM 0 HA CYS A 17 -10.771 8.388 -3.812 1.00 25.54 H new ATOM 0 HB2 CYS A 17 -9.318 9.770 -2.354 1.00 43.44 H new ATOM 0 HB3 CYS A 17 -8.430 8.645 -3.364 1.00 43.44 H new ATOM 0 HG CYS A 17 -8.761 11.959 -4.223 1.00 1.43 H new ATOM 284 N PRO A 18 -12.572 10.249 -4.422 1.00 62.44 N ATOM 285 CA PRO A 18 -13.606 11.293 -4.333 1.00 61.43 C ATOM 286 C PRO A 18 -13.918 11.653 -2.917 1.00 42.34 C ATOM 287 O PRO A 18 -14.330 12.764 -2.614 1.00 13.41 O ATOM 288 CB PRO A 18 -14.849 10.656 -4.962 1.00 35.21 C ATOM 289 CG PRO A 18 -14.564 9.193 -5.072 1.00 2.42 C ATOM 290 CD PRO A 18 -13.077 9.011 -5.025 1.00 75.40 C ATOM 0 HA PRO A 18 -13.277 12.208 -4.826 1.00 61.43 H new ATOM 0 HB2 PRO A 18 -15.731 10.835 -4.346 1.00 35.21 H new ATOM 0 HB3 PRO A 18 -15.052 11.087 -5.942 1.00 35.21 H new ATOM 0 HG2 PRO A 18 -15.041 8.649 -4.257 1.00 2.42 H new ATOM 0 HG3 PRO A 18 -14.968 8.794 -6.002 1.00 2.42 H new ATOM 0 HD2 PRO A 18 -12.803 8.140 -4.430 1.00 75.40 H new ATOM 0 HD3 PRO A 18 -12.664 8.859 -6.022 1.00 75.40 H new ATOM 298 N TYR A 19 -13.711 10.725 -2.061 1.00 31.32 N ATOM 299 CA TYR A 19 -14.057 10.903 -0.676 1.00 23.01 C ATOM 300 C TYR A 19 -12.845 11.228 0.164 1.00 41.22 C ATOM 301 O TYR A 19 -11.712 10.857 -0.161 1.00 23.53 O ATOM 302 CB TYR A 19 -14.828 9.693 -0.121 1.00 3.31 C ATOM 303 CG TYR A 19 -16.086 9.392 -0.894 1.00 72.14 C ATOM 304 CD1 TYR A 19 -17.279 10.043 -0.611 1.00 1.33 C ATOM 305 CD2 TYR A 19 -16.077 8.459 -1.915 1.00 23.34 C ATOM 306 CE1 TYR A 19 -18.426 9.768 -1.329 1.00 42.33 C ATOM 307 CE2 TYR A 19 -17.210 8.179 -2.634 1.00 74.44 C ATOM 308 CZ TYR A 19 -18.384 8.835 -2.340 1.00 23.34 C ATOM 309 OH TYR A 19 -19.521 8.547 -3.058 1.00 71.22 O ATOM 0 H TYR A 19 -13.299 9.819 -2.285 1.00 31.32 H new ATOM 0 HA TYR A 19 -14.726 11.761 -0.620 1.00 23.01 H new ATOM 0 HB2 TYR A 19 -14.179 8.817 -0.138 1.00 3.31 H new ATOM 0 HB3 TYR A 19 -15.085 9.880 0.922 1.00 3.31 H new ATOM 0 HD1 TYR A 19 -17.310 10.775 0.182 1.00 1.33 H new ATOM 0 HD2 TYR A 19 -15.159 7.941 -2.150 1.00 23.34 H new ATOM 0 HE1 TYR A 19 -19.348 10.281 -1.099 1.00 42.33 H new ATOM 0 HE2 TYR A 19 -17.182 7.447 -3.428 1.00 74.44 H new ATOM 0 HH TYR A 19 -19.317 7.868 -3.735 1.00 71.22 H new ATOM 319 N THR A 20 -13.082 11.911 1.223 1.00 1.31 N ATOM 320 CA THR A 20 -12.039 12.319 2.105 1.00 24.14 C ATOM 321 C THR A 20 -12.150 11.563 3.395 1.00 52.21 C ATOM 322 O THR A 20 -13.195 11.588 4.049 1.00 73.01 O ATOM 323 CB THR A 20 -12.063 13.845 2.372 1.00 72.32 C ATOM 324 OG1 THR A 20 -13.357 14.255 2.857 1.00 75.35 O ATOM 325 CG2 THR A 20 -11.713 14.637 1.117 1.00 11.20 C ATOM 0 H THR A 20 -14.015 12.209 1.510 1.00 1.31 H new ATOM 0 HA THR A 20 -11.087 12.093 1.625 1.00 24.14 H new ATOM 0 HB THR A 20 -11.310 14.054 3.132 1.00 72.32 H new ATOM 0 HG1 THR A 20 -13.716 13.565 3.453 1.00 75.35 H new ATOM 0 HG21 THR A 20 -11.739 15.703 1.341 1.00 11.20 H new ATOM 0 HG22 THR A 20 -10.714 14.362 0.780 1.00 11.20 H new ATOM 0 HG23 THR A 20 -12.435 14.413 0.332 1.00 11.20 H new ATOM 333 N MET A 21 -11.111 10.879 3.751 1.00 32.41 N ATOM 334 CA MET A 21 -11.123 10.084 4.947 1.00 51.42 C ATOM 335 C MET A 21 -9.716 9.792 5.377 1.00 30.41 C ATOM 336 O MET A 21 -8.835 9.626 4.542 1.00 2.10 O ATOM 337 CB MET A 21 -11.909 8.780 4.719 1.00 32.04 C ATOM 338 CG MET A 21 -12.033 7.896 5.947 1.00 1.12 C ATOM 339 SD MET A 21 -12.813 8.747 7.333 1.00 15.14 S ATOM 340 CE MET A 21 -12.852 7.434 8.546 1.00 50.33 C ATOM 0 H MET A 21 -10.235 10.852 3.230 1.00 32.41 H new ATOM 0 HA MET A 21 -11.621 10.642 5.740 1.00 51.42 H new ATOM 0 HB2 MET A 21 -12.909 9.031 4.365 1.00 32.04 H new ATOM 0 HB3 MET A 21 -11.423 8.212 3.926 1.00 32.04 H new ATOM 0 HG2 MET A 21 -12.615 7.009 5.695 1.00 1.12 H new ATOM 0 HG3 MET A 21 -11.042 7.553 6.246 1.00 1.12 H new ATOM 0 HE1 MET A 21 -13.308 7.801 9.465 1.00 50.33 H new ATOM 0 HE2 MET A 21 -13.437 6.599 8.160 1.00 50.33 H new ATOM 0 HE3 MET A 21 -11.835 7.100 8.753 1.00 50.33 H new ATOM 350 N LYS A 22 -9.501 9.757 6.662 1.00 10.22 N ATOM 351 CA LYS A 22 -8.210 9.453 7.199 1.00 53.41 C ATOM 352 C LYS A 22 -8.102 7.947 7.448 1.00 32.35 C ATOM 353 O LYS A 22 -9.018 7.328 8.022 1.00 74.33 O ATOM 354 CB LYS A 22 -7.928 10.305 8.450 1.00 44.41 C ATOM 355 CG LYS A 22 -8.959 10.178 9.565 1.00 62.43 C ATOM 356 CD LYS A 22 -8.717 11.209 10.658 1.00 0.01 C ATOM 357 CE LYS A 22 -7.372 11.040 11.345 1.00 21.02 C ATOM 358 NZ LYS A 22 -7.117 12.130 12.309 1.00 43.05 N ATOM 0 H LYS A 22 -10.218 9.939 7.365 1.00 10.22 H new ATOM 0 HA LYS A 22 -7.433 9.714 6.480 1.00 53.41 H new ATOM 0 HB2 LYS A 22 -6.951 10.028 8.846 1.00 44.41 H new ATOM 0 HB3 LYS A 22 -7.866 11.351 8.151 1.00 44.41 H new ATOM 0 HG2 LYS A 22 -9.960 10.308 9.154 1.00 62.43 H new ATOM 0 HG3 LYS A 22 -8.916 9.176 9.991 1.00 62.43 H new ATOM 0 HD2 LYS A 22 -8.776 12.208 10.227 1.00 0.01 H new ATOM 0 HD3 LYS A 22 -9.511 11.136 11.402 1.00 0.01 H new ATOM 0 HE2 LYS A 22 -7.344 10.081 11.862 1.00 21.02 H new ATOM 0 HE3 LYS A 22 -6.580 11.021 10.597 1.00 21.02 H new ATOM 0 HZ1 LYS A 22 -6.191 11.985 12.760 1.00 43.05 H new ATOM 0 HZ2 LYS A 22 -7.120 13.042 11.810 1.00 43.05 H new ATOM 0 HZ3 LYS A 22 -7.860 12.131 13.036 1.00 43.05 H new ATOM 372 N PRO A 23 -6.995 7.343 7.019 1.00 64.40 N ATOM 373 CA PRO A 23 -6.822 5.897 7.023 1.00 44.22 C ATOM 374 C PRO A 23 -6.666 5.297 8.407 1.00 31.55 C ATOM 375 O PRO A 23 -6.026 5.869 9.302 1.00 74.22 O ATOM 376 CB PRO A 23 -5.556 5.683 6.210 1.00 53.24 C ATOM 377 CG PRO A 23 -4.783 6.936 6.387 1.00 15.43 C ATOM 378 CD PRO A 23 -5.797 8.033 6.514 1.00 34.44 C ATOM 0 HA PRO A 23 -7.705 5.404 6.618 1.00 44.22 H new ATOM 0 HB2 PRO A 23 -4.997 4.818 6.567 1.00 53.24 H new ATOM 0 HB3 PRO A 23 -5.785 5.503 5.160 1.00 53.24 H new ATOM 0 HG2 PRO A 23 -4.152 6.883 7.274 1.00 15.43 H new ATOM 0 HG3 PRO A 23 -4.123 7.111 5.537 1.00 15.43 H new ATOM 0 HD2 PRO A 23 -5.463 8.810 7.201 1.00 34.44 H new ATOM 0 HD3 PRO A 23 -5.987 8.516 5.555 1.00 34.44 H new ATOM 386 N LYS A 24 -7.260 4.157 8.582 1.00 20.14 N ATOM 387 CA LYS A 24 -7.185 3.448 9.806 1.00 31.22 C ATOM 388 C LYS A 24 -6.579 2.071 9.554 1.00 73.34 C ATOM 389 O LYS A 24 -6.139 1.401 10.478 1.00 33.52 O ATOM 390 CB LYS A 24 -8.582 3.311 10.384 1.00 41.43 C ATOM 391 CG LYS A 24 -8.676 2.739 11.788 1.00 12.02 C ATOM 392 CD LYS A 24 -8.322 3.732 12.950 1.00 23.12 C ATOM 393 CE LYS A 24 -6.903 4.339 12.910 1.00 13.11 C ATOM 394 NZ LYS A 24 -6.780 5.573 12.070 1.00 31.03 N ATOM 0 H LYS A 24 -7.816 3.693 7.864 1.00 20.14 H new ATOM 0 HA LYS A 24 -6.556 3.986 10.515 1.00 31.22 H new ATOM 0 HB2 LYS A 24 -9.051 4.295 10.383 1.00 41.43 H new ATOM 0 HB3 LYS A 24 -9.168 2.679 9.717 1.00 41.43 H new ATOM 0 HG2 LYS A 24 -9.690 2.372 11.944 1.00 12.02 H new ATOM 0 HG3 LYS A 24 -8.011 1.878 11.855 1.00 12.02 H new ATOM 0 HD2 LYS A 24 -9.045 4.547 12.938 1.00 23.12 H new ATOM 0 HD3 LYS A 24 -8.446 3.210 13.899 1.00 23.12 H new ATOM 0 HE2 LYS A 24 -6.594 4.575 13.928 1.00 13.11 H new ATOM 0 HE3 LYS A 24 -6.210 3.587 12.533 1.00 13.11 H new ATOM 0 HZ1 LYS A 24 -6.029 5.438 11.363 1.00 31.03 H new ATOM 0 HZ2 LYS A 24 -7.682 5.755 11.586 1.00 31.03 H new ATOM 0 HZ3 LYS A 24 -6.543 6.384 12.677 1.00 31.03 H new ATOM 408 N TYR A 25 -6.570 1.658 8.300 1.00 20.22 N ATOM 409 CA TYR A 25 -6.016 0.366 7.934 1.00 32.42 C ATOM 410 C TYR A 25 -4.958 0.553 6.867 1.00 74.40 C ATOM 411 O TYR A 25 -4.781 1.659 6.347 1.00 71.43 O ATOM 412 CB TYR A 25 -7.084 -0.560 7.352 1.00 1.33 C ATOM 413 CG TYR A 25 -8.354 -0.718 8.154 1.00 33.03 C ATOM 414 CD1 TYR A 25 -8.472 -1.684 9.142 1.00 75.34 C ATOM 415 CD2 TYR A 25 -9.447 0.087 7.891 1.00 15.32 C ATOM 416 CE1 TYR A 25 -9.651 -1.836 9.848 1.00 55.43 C ATOM 417 CE2 TYR A 25 -10.623 -0.051 8.591 1.00 30.02 C ATOM 418 CZ TYR A 25 -10.726 -1.011 9.562 1.00 50.13 C ATOM 419 OH TYR A 25 -11.908 -1.148 10.255 1.00 32.10 O ATOM 0 H TYR A 25 -6.940 2.198 7.517 1.00 20.22 H new ATOM 0 HA TYR A 25 -5.602 -0.077 8.840 1.00 32.42 H new ATOM 0 HB2 TYR A 25 -7.351 -0.192 6.361 1.00 1.33 H new ATOM 0 HB3 TYR A 25 -6.642 -1.547 7.217 1.00 1.33 H new ATOM 0 HD1 TYR A 25 -7.632 -2.326 9.363 1.00 75.34 H new ATOM 0 HD2 TYR A 25 -9.376 0.840 7.120 1.00 15.32 H new ATOM 0 HE1 TYR A 25 -9.733 -2.591 10.616 1.00 55.43 H new ATOM 0 HE2 TYR A 25 -11.461 0.595 8.376 1.00 30.02 H new ATOM 0 HH TYR A 25 -12.557 -0.490 9.929 1.00 32.10 H new ATOM 429 N ILE A 26 -4.287 -0.522 6.523 1.00 42.32 N ATOM 430 CA ILE A 26 -3.304 -0.529 5.452 1.00 42.24 C ATOM 431 C ILE A 26 -3.482 -1.802 4.644 1.00 33.32 C ATOM 432 O ILE A 26 -3.549 -2.890 5.201 1.00 4.54 O ATOM 433 CB ILE A 26 -1.835 -0.431 5.983 1.00 15.44 C ATOM 434 CG1 ILE A 26 -1.643 0.884 6.747 1.00 1.45 C ATOM 435 CG2 ILE A 26 -0.828 -0.537 4.831 1.00 11.33 C ATOM 436 CD1 ILE A 26 -0.274 1.088 7.344 1.00 15.24 C ATOM 0 H ILE A 26 -4.405 -1.426 6.980 1.00 42.32 H new ATOM 0 HA ILE A 26 -3.470 0.351 4.831 1.00 42.24 H new ATOM 0 HB ILE A 26 -1.655 -1.264 6.662 1.00 15.44 H new ATOM 0 HG12 ILE A 26 -1.853 1.712 6.070 1.00 1.45 H new ATOM 0 HG13 ILE A 26 -2.381 0.931 7.548 1.00 1.45 H new ATOM 0 HG21 ILE A 26 0.185 -0.466 5.226 1.00 11.33 H new ATOM 0 HG22 ILE A 26 -0.954 -1.494 4.325 1.00 11.33 H new ATOM 0 HG23 ILE A 26 -0.999 0.274 4.123 1.00 11.33 H new ATOM 0 HD11 ILE A 26 -0.242 2.046 7.862 1.00 15.24 H new ATOM 0 HD12 ILE A 26 -0.062 0.286 8.051 1.00 15.24 H new ATOM 0 HD13 ILE A 26 0.474 1.079 6.551 1.00 15.24 H new ATOM 448 N THR A 27 -3.586 -1.661 3.358 1.00 24.23 N ATOM 449 CA THR A 27 -3.782 -2.782 2.488 1.00 72.10 C ATOM 450 C THR A 27 -2.555 -2.960 1.591 1.00 42.35 C ATOM 451 O THR A 27 -2.182 -2.044 0.840 1.00 24.02 O ATOM 452 CB THR A 27 -5.026 -2.564 1.606 1.00 14.23 C ATOM 453 OG1 THR A 27 -6.144 -2.222 2.434 1.00 22.34 O ATOM 454 CG2 THR A 27 -5.359 -3.833 0.832 1.00 21.14 C ATOM 0 H THR A 27 -3.537 -0.762 2.879 1.00 24.23 H new ATOM 0 HA THR A 27 -3.927 -3.674 3.097 1.00 72.10 H new ATOM 0 HB THR A 27 -4.816 -1.758 0.903 1.00 14.23 H new ATOM 0 HG1 THR A 27 -6.973 -2.316 1.920 1.00 22.34 H new ATOM 0 HG21 THR A 27 -6.240 -3.662 0.214 1.00 21.14 H new ATOM 0 HG22 THR A 27 -4.516 -4.103 0.195 1.00 21.14 H new ATOM 0 HG23 THR A 27 -5.559 -4.644 1.532 1.00 21.14 H new ATOM 462 N VAL A 28 -1.942 -4.119 1.662 1.00 72.21 N ATOM 463 CA VAL A 28 -0.753 -4.411 0.878 1.00 5.34 C ATOM 464 C VAL A 28 -1.137 -5.189 -0.390 1.00 45.30 C ATOM 465 O VAL A 28 -2.030 -6.060 -0.360 1.00 74.41 O ATOM 466 CB VAL A 28 0.249 -5.242 1.709 1.00 73.53 C ATOM 467 CG1 VAL A 28 1.537 -5.488 0.932 1.00 51.12 C ATOM 468 CG2 VAL A 28 0.547 -4.539 3.019 1.00 62.40 C ATOM 0 H VAL A 28 -2.248 -4.886 2.261 1.00 72.21 H new ATOM 0 HA VAL A 28 -0.285 -3.468 0.596 1.00 5.34 H new ATOM 0 HB VAL A 28 -0.204 -6.211 1.921 1.00 73.53 H new ATOM 0 HG11 VAL A 28 2.223 -6.075 1.542 1.00 51.12 H new ATOM 0 HG12 VAL A 28 1.310 -6.032 0.015 1.00 51.12 H new ATOM 0 HG13 VAL A 28 2.000 -4.533 0.683 1.00 51.12 H new ATOM 0 HG21 VAL A 28 1.254 -5.133 3.598 1.00 62.40 H new ATOM 0 HG22 VAL A 28 0.977 -3.558 2.816 1.00 62.40 H new ATOM 0 HG23 VAL A 28 -0.376 -4.420 3.586 1.00 62.40 H new ATOM 478 N HIS A 29 -0.516 -4.849 -1.503 1.00 34.33 N ATOM 479 CA HIS A 29 -0.762 -5.521 -2.778 1.00 20.31 C ATOM 480 C HIS A 29 0.625 -5.815 -3.384 1.00 50.43 C ATOM 481 O HIS A 29 1.615 -5.188 -2.983 1.00 14.53 O ATOM 482 CB HIS A 29 -1.591 -4.601 -3.780 1.00 23.44 C ATOM 483 CG HIS A 29 -2.811 -3.889 -3.187 1.00 3.11 C ATOM 484 ND1 HIS A 29 -4.188 -4.094 -3.562 1.00 63.44 N ATOM 485 CD2 HIS A 29 -2.838 -2.921 -2.240 1.00 54.43 C ATOM 486 CE1 HIS A 29 -4.906 -3.244 -2.826 1.00 23.24 C ATOM 487 NE2 HIS A 29 -4.124 -2.549 -2.036 1.00 25.31 N ATOM 0 H HIS A 29 0.174 -4.100 -1.556 1.00 34.33 H new ATOM 0 HA HIS A 29 -1.347 -6.426 -2.618 1.00 20.31 H new ATOM 0 HB2 HIS A 29 -0.919 -3.847 -4.189 1.00 23.44 H new ATOM 0 HB3 HIS A 29 -1.925 -5.217 -4.615 1.00 23.44 H new ATOM 0 HD1 HIS A 29 -4.542 -4.756 -4.252 1.00 63.44 H new ATOM 0 HD2 HIS A 29 -1.977 -2.513 -1.732 1.00 54.43 H new ATOM 0 HE1 HIS A 29 -5.980 -3.143 -2.874 1.00 23.24 H new ATOM 495 N ASN A 30 0.711 -6.771 -4.282 1.00 11.43 N ATOM 496 CA ASN A 30 1.964 -7.056 -4.976 1.00 13.22 C ATOM 497 C ASN A 30 1.771 -6.781 -6.447 1.00 25.43 C ATOM 498 O ASN A 30 0.675 -7.050 -6.989 1.00 23.54 O ATOM 499 CB ASN A 30 2.430 -8.523 -4.808 1.00 31.41 C ATOM 500 CG ASN A 30 2.910 -8.933 -3.416 1.00 24.55 C ATOM 501 OD1 ASN A 30 2.804 -10.106 -3.033 1.00 63.35 O ATOM 502 ND2 ASN A 30 3.453 -8.017 -2.672 1.00 51.42 N ATOM 0 H ASN A 30 -0.069 -7.369 -4.555 1.00 11.43 H new ATOM 0 HA ASN A 30 2.731 -6.418 -4.538 1.00 13.22 H new ATOM 0 HB2 ASN A 30 1.605 -9.177 -5.090 1.00 31.41 H new ATOM 0 HB3 ASN A 30 3.239 -8.707 -5.515 1.00 31.41 H new ATOM 0 HD21 ASN A 30 3.806 -8.256 -1.745 1.00 51.42 H new ATOM 0 HD22 ASN A 30 3.526 -7.059 -3.015 1.00 51.42 H new ATOM 509 N THR A 31 2.791 -6.267 -7.112 1.00 24.33 N ATOM 510 CA THR A 31 2.657 -5.966 -8.501 1.00 13.14 C ATOM 511 C THR A 31 2.771 -7.219 -9.333 1.00 40.35 C ATOM 512 O THR A 31 3.656 -8.061 -9.117 1.00 15.23 O ATOM 513 CB THR A 31 3.680 -4.919 -9.000 1.00 10.11 C ATOM 514 OG1 THR A 31 5.026 -5.376 -8.782 1.00 44.34 O ATOM 515 CG2 THR A 31 3.458 -3.575 -8.339 1.00 42.31 C ATOM 0 H THR A 31 3.703 -6.057 -6.708 1.00 24.33 H new ATOM 0 HA THR A 31 1.665 -5.531 -8.619 1.00 13.14 H new ATOM 0 HB THR A 31 3.529 -4.793 -10.072 1.00 10.11 H new ATOM 0 HG1 THR A 31 5.449 -5.571 -9.644 1.00 44.34 H new ATOM 0 HG21 THR A 31 4.193 -2.861 -8.711 1.00 42.31 H new ATOM 0 HG22 THR A 31 2.455 -3.217 -8.570 1.00 42.31 H new ATOM 0 HG23 THR A 31 3.566 -3.678 -7.259 1.00 42.31 H new ATOM 523 N TYR A 32 1.890 -7.337 -10.279 1.00 14.20 N ATOM 524 CA TYR A 32 1.866 -8.463 -11.170 1.00 0.32 C ATOM 525 C TYR A 32 2.865 -8.267 -12.289 1.00 44.21 C ATOM 526 O TYR A 32 3.099 -9.160 -13.102 1.00 4.35 O ATOM 527 CB TYR A 32 0.447 -8.722 -11.702 1.00 2.24 C ATOM 528 CG TYR A 32 -0.215 -7.544 -12.391 1.00 23.03 C ATOM 529 CD1 TYR A 32 -0.067 -7.336 -13.753 1.00 60.31 C ATOM 530 CD2 TYR A 32 -1.003 -6.648 -11.673 1.00 12.43 C ATOM 531 CE1 TYR A 32 -0.680 -6.276 -14.382 1.00 52.40 C ATOM 532 CE2 TYR A 32 -1.618 -5.583 -12.296 1.00 11.51 C ATOM 533 CZ TYR A 32 -1.455 -5.402 -13.650 1.00 33.02 C ATOM 534 OH TYR A 32 -2.069 -4.344 -14.282 1.00 54.54 O ATOM 0 H TYR A 32 1.159 -6.649 -10.458 1.00 14.20 H new ATOM 0 HA TYR A 32 2.160 -9.353 -10.614 1.00 0.32 H new ATOM 0 HB2 TYR A 32 0.487 -9.556 -12.403 1.00 2.24 H new ATOM 0 HB3 TYR A 32 -0.183 -9.035 -10.870 1.00 2.24 H new ATOM 0 HD1 TYR A 32 0.540 -8.017 -14.331 1.00 60.31 H new ATOM 0 HD2 TYR A 32 -1.135 -6.790 -10.610 1.00 12.43 H new ATOM 0 HE1 TYR A 32 -0.554 -6.130 -15.445 1.00 52.40 H new ATOM 0 HE2 TYR A 32 -2.224 -4.895 -11.725 1.00 11.51 H new ATOM 0 HH TYR A 32 -2.579 -3.823 -13.627 1.00 54.54 H new ATOM 544 N ASN A 33 3.446 -7.086 -12.326 1.00 41.35 N ATOM 545 CA ASN A 33 4.449 -6.745 -13.307 1.00 35.23 C ATOM 546 C ASN A 33 5.650 -6.142 -12.598 1.00 70.41 C ATOM 547 O ASN A 33 5.554 -5.702 -11.440 1.00 2.44 O ATOM 548 CB ASN A 33 3.876 -5.766 -14.356 1.00 4.42 C ATOM 549 CG ASN A 33 4.847 -5.424 -15.488 1.00 73.31 C ATOM 550 OD1 ASN A 33 5.666 -6.252 -15.897 1.00 64.24 O ATOM 551 ND2 ASN A 33 4.774 -4.210 -15.984 1.00 20.03 N ATOM 0 H ASN A 33 3.233 -6.333 -11.672 1.00 41.35 H new ATOM 0 HA ASN A 33 4.761 -7.645 -13.836 1.00 35.23 H new ATOM 0 HB2 ASN A 33 2.972 -6.199 -14.785 1.00 4.42 H new ATOM 0 HB3 ASN A 33 3.581 -4.845 -13.854 1.00 4.42 H new ATOM 0 HD21 ASN A 33 5.407 -3.926 -16.732 1.00 20.03 H new ATOM 0 HD22 ASN A 33 4.084 -3.552 -15.622 1.00 20.03 H new ATOM 558 N ASP A 34 6.759 -6.170 -13.256 1.00 53.12 N ATOM 559 CA ASP A 34 7.977 -5.631 -12.750 1.00 33.32 C ATOM 560 C ASP A 34 8.226 -4.273 -13.360 1.00 42.21 C ATOM 561 O ASP A 34 8.463 -4.144 -14.556 1.00 70.43 O ATOM 562 CB ASP A 34 9.145 -6.592 -13.003 1.00 62.11 C ATOM 563 CG ASP A 34 9.381 -6.937 -14.463 1.00 71.23 C ATOM 564 OD1 ASP A 34 8.534 -7.619 -15.065 1.00 63.02 O ATOM 565 OD2 ASP A 34 10.418 -6.538 -15.028 1.00 53.12 O ATOM 0 H ASP A 34 6.846 -6.579 -14.186 1.00 53.12 H new ATOM 0 HA ASP A 34 7.893 -5.508 -11.670 1.00 33.32 H new ATOM 0 HB2 ASP A 34 10.055 -6.150 -12.597 1.00 62.11 H new ATOM 0 HB3 ASP A 34 8.964 -7.514 -12.451 1.00 62.11 H new ATOM 570 N ALA A 35 8.123 -3.262 -12.546 1.00 75.44 N ATOM 571 CA ALA A 35 8.307 -1.909 -12.976 1.00 63.20 C ATOM 572 C ALA A 35 8.680 -1.067 -11.779 1.00 20.34 C ATOM 573 O ALA A 35 8.313 -1.413 -10.656 1.00 35.13 O ATOM 574 CB ALA A 35 7.018 -1.383 -13.610 1.00 43.43 C ATOM 0 H ALA A 35 7.906 -3.357 -11.554 1.00 75.44 H new ATOM 0 HA ALA A 35 9.102 -1.861 -13.721 1.00 63.20 H new ATOM 0 HB1 ALA A 35 7.166 -0.353 -13.935 1.00 43.43 H new ATOM 0 HB2 ALA A 35 6.757 -2.000 -14.470 1.00 43.43 H new ATOM 0 HB3 ALA A 35 6.211 -1.420 -12.878 1.00 43.43 H new ATOM 580 N PRO A 36 9.458 0.011 -11.993 1.00 0.15 N ATOM 581 CA PRO A 36 9.809 0.960 -10.947 1.00 65.44 C ATOM 582 C PRO A 36 8.567 1.602 -10.385 1.00 73.24 C ATOM 583 O PRO A 36 7.580 1.785 -11.110 1.00 62.32 O ATOM 584 CB PRO A 36 10.675 2.019 -11.632 1.00 75.55 C ATOM 585 CG PRO A 36 10.611 1.744 -13.079 1.00 64.30 C ATOM 586 CD PRO A 36 10.059 0.366 -13.279 1.00 23.05 C ATOM 0 HA PRO A 36 10.329 0.475 -10.121 1.00 65.44 H new ATOM 0 HB2 PRO A 36 10.308 3.021 -11.412 1.00 75.55 H new ATOM 0 HB3 PRO A 36 11.703 1.970 -11.273 1.00 75.55 H new ATOM 0 HG2 PRO A 36 9.980 2.480 -13.577 1.00 64.30 H new ATOM 0 HG3 PRO A 36 11.603 1.822 -13.523 1.00 64.30 H new ATOM 0 HD2 PRO A 36 9.319 0.349 -14.079 1.00 23.05 H new ATOM 0 HD3 PRO A 36 10.844 -0.338 -13.556 1.00 23.05 H new ATOM 594 N ALA A 37 8.599 1.941 -9.116 1.00 53.04 N ATOM 595 CA ALA A 37 7.413 2.503 -8.441 1.00 43.43 C ATOM 596 C ALA A 37 6.975 3.786 -9.128 1.00 60.21 C ATOM 597 O ALA A 37 5.795 4.115 -9.175 1.00 75.45 O ATOM 598 CB ALA A 37 7.697 2.752 -6.975 1.00 31.15 C ATOM 0 H ALA A 37 9.420 1.845 -8.519 1.00 53.04 H new ATOM 0 HA ALA A 37 6.602 1.778 -8.509 1.00 43.43 H new ATOM 0 HB1 ALA A 37 6.809 3.166 -6.498 1.00 31.15 H new ATOM 0 HB2 ALA A 37 7.964 1.812 -6.491 1.00 31.15 H new ATOM 0 HB3 ALA A 37 8.523 3.457 -6.879 1.00 31.15 H new ATOM 604 N GLU A 38 7.957 4.477 -9.684 1.00 60.34 N ATOM 605 CA GLU A 38 7.772 5.691 -10.473 1.00 31.11 C ATOM 606 C GLU A 38 6.759 5.407 -11.580 1.00 54.43 C ATOM 607 O GLU A 38 5.777 6.128 -11.764 1.00 22.50 O ATOM 608 CB GLU A 38 9.125 6.014 -11.114 1.00 21.41 C ATOM 609 CG GLU A 38 9.210 7.286 -11.936 1.00 40.40 C ATOM 610 CD GLU A 38 9.161 8.539 -11.102 1.00 25.42 C ATOM 611 OE1 GLU A 38 10.125 8.777 -10.313 1.00 70.31 O ATOM 612 OE2 GLU A 38 8.220 9.318 -11.258 1.00 20.34 O ATOM 0 H GLU A 38 8.936 4.203 -9.598 1.00 60.34 H new ATOM 0 HA GLU A 38 7.417 6.517 -9.856 1.00 31.11 H new ATOM 0 HB2 GLU A 38 9.871 6.072 -10.321 1.00 21.41 H new ATOM 0 HB3 GLU A 38 9.405 5.177 -11.754 1.00 21.41 H new ATOM 0 HG2 GLU A 38 10.136 7.277 -12.512 1.00 40.40 H new ATOM 0 HG3 GLU A 38 8.389 7.303 -12.653 1.00 40.40 H new ATOM 619 N ASN A 39 6.996 4.315 -12.259 1.00 12.11 N ATOM 620 CA ASN A 39 6.214 3.883 -13.387 1.00 31.30 C ATOM 621 C ASN A 39 4.868 3.348 -12.971 1.00 53.41 C ATOM 622 O ASN A 39 3.869 3.594 -13.647 1.00 73.04 O ATOM 623 CB ASN A 39 6.977 2.820 -14.167 1.00 55.51 C ATOM 624 CG ASN A 39 8.232 3.344 -14.853 1.00 35.24 C ATOM 625 OD1 ASN A 39 8.864 4.307 -14.410 1.00 21.50 O ATOM 626 ND2 ASN A 39 8.621 2.690 -15.894 1.00 75.42 N ATOM 0 H ASN A 39 7.763 3.682 -12.034 1.00 12.11 H new ATOM 0 HA ASN A 39 6.039 4.753 -14.020 1.00 31.30 H new ATOM 0 HB2 ASN A 39 7.255 2.014 -13.488 1.00 55.51 H new ATOM 0 HB3 ASN A 39 6.316 2.390 -14.919 1.00 55.51 H new ATOM 0 HD21 ASN A 39 9.476 2.964 -16.378 1.00 75.42 H new ATOM 0 HD22 ASN A 39 8.074 1.899 -16.233 1.00 75.42 H new ATOM 633 N GLU A 40 4.822 2.639 -11.852 1.00 42.52 N ATOM 634 CA GLU A 40 3.562 2.064 -11.391 1.00 5.44 C ATOM 635 C GLU A 40 2.613 3.158 -10.938 1.00 74.51 C ATOM 636 O GLU A 40 1.408 3.094 -11.188 1.00 73.13 O ATOM 637 CB GLU A 40 3.785 1.010 -10.296 1.00 33.24 C ATOM 638 CG GLU A 40 4.499 -0.259 -10.778 1.00 2.25 C ATOM 639 CD GLU A 40 3.678 -1.073 -11.784 1.00 63.21 C ATOM 640 OE1 GLU A 40 3.686 -0.747 -12.987 1.00 3.24 O ATOM 641 OE2 GLU A 40 3.029 -2.061 -11.377 1.00 61.35 O ATOM 0 H GLU A 40 5.626 2.449 -11.254 1.00 42.52 H new ATOM 0 HA GLU A 40 3.099 1.546 -12.231 1.00 5.44 H new ATOM 0 HB2 GLU A 40 4.368 1.457 -9.491 1.00 33.24 H new ATOM 0 HB3 GLU A 40 2.819 0.732 -9.874 1.00 33.24 H new ATOM 0 HG2 GLU A 40 5.449 0.019 -11.235 1.00 2.25 H new ATOM 0 HG3 GLU A 40 4.731 -0.886 -9.917 1.00 2.25 H new ATOM 648 N VAL A 41 3.161 4.191 -10.319 1.00 44.14 N ATOM 649 CA VAL A 41 2.347 5.313 -9.873 1.00 42.31 C ATOM 650 C VAL A 41 1.909 6.136 -11.064 1.00 74.51 C ATOM 651 O VAL A 41 0.728 6.473 -11.196 1.00 22.50 O ATOM 652 CB VAL A 41 3.082 6.217 -8.853 1.00 54.54 C ATOM 653 CG1 VAL A 41 2.229 7.423 -8.486 1.00 42.12 C ATOM 654 CG2 VAL A 41 3.408 5.431 -7.606 1.00 41.13 C ATOM 0 H VAL A 41 4.157 4.277 -10.115 1.00 44.14 H new ATOM 0 HA VAL A 41 1.478 4.895 -9.365 1.00 42.31 H new ATOM 0 HB VAL A 41 4.005 6.569 -9.313 1.00 54.54 H new ATOM 0 HG11 VAL A 41 2.766 8.043 -7.768 1.00 42.12 H new ATOM 0 HG12 VAL A 41 2.018 8.006 -9.383 1.00 42.12 H new ATOM 0 HG13 VAL A 41 1.292 7.085 -8.044 1.00 42.12 H new ATOM 0 HG21 VAL A 41 3.925 6.075 -6.895 1.00 41.13 H new ATOM 0 HG22 VAL A 41 2.486 5.061 -7.157 1.00 41.13 H new ATOM 0 HG23 VAL A 41 4.049 4.588 -7.864 1.00 41.13 H new ATOM 664 N SER A 42 2.861 6.420 -11.943 1.00 30.44 N ATOM 665 CA SER A 42 2.615 7.183 -13.150 1.00 65.22 C ATOM 666 C SER A 42 1.497 6.523 -13.978 1.00 72.10 C ATOM 667 O SER A 42 0.646 7.207 -14.561 1.00 31.21 O ATOM 668 CB SER A 42 3.920 7.290 -13.964 1.00 13.01 C ATOM 669 OG SER A 42 3.764 8.081 -15.124 1.00 25.25 O ATOM 0 H SER A 42 3.831 6.123 -11.834 1.00 30.44 H new ATOM 0 HA SER A 42 2.286 8.188 -12.886 1.00 65.22 H new ATOM 0 HB2 SER A 42 4.703 7.718 -13.337 1.00 13.01 H new ATOM 0 HB3 SER A 42 4.251 6.291 -14.249 1.00 13.01 H new ATOM 0 HG SER A 42 4.615 8.123 -15.608 1.00 25.25 H new ATOM 675 N TYR A 43 1.494 5.201 -14.006 1.00 61.34 N ATOM 676 CA TYR A 43 0.476 4.462 -14.703 1.00 71.25 C ATOM 677 C TYR A 43 -0.851 4.491 -13.940 1.00 32.24 C ATOM 678 O TYR A 43 -1.905 4.753 -14.522 1.00 64.12 O ATOM 679 CB TYR A 43 0.930 3.012 -14.940 1.00 74.43 C ATOM 680 CG TYR A 43 -0.105 2.144 -15.623 1.00 45.34 C ATOM 681 CD1 TYR A 43 -0.261 2.169 -17.001 1.00 33.12 C ATOM 682 CD2 TYR A 43 -0.930 1.300 -14.884 1.00 72.31 C ATOM 683 CE1 TYR A 43 -1.205 1.381 -17.625 1.00 42.04 C ATOM 684 CE2 TYR A 43 -1.876 0.508 -15.502 1.00 12.33 C ATOM 685 CZ TYR A 43 -2.008 0.551 -16.873 1.00 43.03 C ATOM 686 OH TYR A 43 -2.953 -0.236 -17.497 1.00 63.42 O ATOM 0 H TYR A 43 2.196 4.620 -13.547 1.00 61.34 H new ATOM 0 HA TYR A 43 0.317 4.940 -15.670 1.00 71.25 H new ATOM 0 HB2 TYR A 43 1.837 3.021 -15.544 1.00 74.43 H new ATOM 0 HB3 TYR A 43 1.190 2.563 -13.982 1.00 74.43 H new ATOM 0 HD1 TYR A 43 0.367 2.816 -17.595 1.00 33.12 H new ATOM 0 HD2 TYR A 43 -0.828 1.265 -13.809 1.00 72.31 H new ATOM 0 HE1 TYR A 43 -1.315 1.414 -18.699 1.00 42.04 H new ATOM 0 HE2 TYR A 43 -2.509 -0.141 -14.915 1.00 12.33 H new ATOM 0 HH TYR A 43 -3.435 -0.763 -16.826 1.00 63.42 H new ATOM 696 N MET A 44 -0.790 4.234 -12.648 1.00 52.31 N ATOM 697 CA MET A 44 -1.974 4.142 -11.817 1.00 25.41 C ATOM 698 C MET A 44 -2.742 5.454 -11.722 1.00 31.52 C ATOM 699 O MET A 44 -3.960 5.456 -11.821 1.00 53.44 O ATOM 700 CB MET A 44 -1.624 3.559 -10.434 1.00 15.33 C ATOM 701 CG MET A 44 -2.804 3.343 -9.473 1.00 63.43 C ATOM 702 SD MET A 44 -3.455 4.851 -8.700 1.00 24.03 S ATOM 703 CE MET A 44 -2.017 5.388 -7.751 1.00 63.02 C ATOM 0 H MET A 44 0.084 4.083 -12.144 1.00 52.31 H new ATOM 0 HA MET A 44 -2.658 3.449 -12.307 1.00 25.41 H new ATOM 0 HB2 MET A 44 -1.122 2.603 -10.582 1.00 15.33 H new ATOM 0 HB3 MET A 44 -0.907 4.224 -9.953 1.00 15.33 H new ATOM 0 HG2 MET A 44 -3.612 2.855 -10.019 1.00 63.43 H new ATOM 0 HG3 MET A 44 -2.491 2.657 -8.686 1.00 63.43 H new ATOM 0 HE1 MET A 44 -2.226 6.352 -7.288 1.00 63.02 H new ATOM 0 HE2 MET A 44 -1.797 4.653 -6.976 1.00 63.02 H new ATOM 0 HE3 MET A 44 -1.158 5.483 -8.415 1.00 63.02 H new ATOM 713 N ILE A 45 -2.064 6.558 -11.557 1.00 51.33 N ATOM 714 CA ILE A 45 -2.785 7.823 -11.428 1.00 3.14 C ATOM 715 C ILE A 45 -3.367 8.281 -12.763 1.00 30.24 C ATOM 716 O ILE A 45 -4.492 8.765 -12.825 1.00 44.32 O ATOM 717 CB ILE A 45 -1.939 8.964 -10.795 1.00 65.42 C ATOM 718 CG1 ILE A 45 -0.682 9.264 -11.633 1.00 12.14 C ATOM 719 CG2 ILE A 45 -1.577 8.624 -9.354 1.00 44.42 C ATOM 720 CD1 ILE A 45 0.160 10.397 -11.101 1.00 20.22 C ATOM 0 H ILE A 45 -1.047 6.623 -11.508 1.00 51.33 H new ATOM 0 HA ILE A 45 -3.601 7.614 -10.737 1.00 3.14 H new ATOM 0 HB ILE A 45 -2.545 9.870 -10.788 1.00 65.42 H new ATOM 0 HG12 ILE A 45 -0.070 8.364 -11.684 1.00 12.14 H new ATOM 0 HG13 ILE A 45 -0.987 9.500 -12.653 1.00 12.14 H new ATOM 0 HG21 ILE A 45 -0.985 9.433 -8.927 1.00 44.42 H new ATOM 0 HG22 ILE A 45 -2.489 8.494 -8.771 1.00 44.42 H new ATOM 0 HG23 ILE A 45 -0.998 7.701 -9.332 1.00 44.42 H new ATOM 0 HD11 ILE A 45 1.025 10.543 -11.748 1.00 20.22 H new ATOM 0 HD12 ILE A 45 -0.433 11.311 -11.077 1.00 20.22 H new ATOM 0 HD13 ILE A 45 0.498 10.157 -10.093 1.00 20.22 H new ATOM 732 N SER A 46 -2.626 8.061 -13.829 1.00 22.42 N ATOM 733 CA SER A 46 -3.018 8.537 -15.131 1.00 22.54 C ATOM 734 C SER A 46 -3.967 7.558 -15.836 1.00 4.24 C ATOM 735 O SER A 46 -4.433 7.836 -16.946 1.00 45.44 O ATOM 736 CB SER A 46 -1.766 8.836 -15.988 1.00 73.30 C ATOM 737 OG SER A 46 -2.101 9.426 -17.245 1.00 53.43 O ATOM 0 H SER A 46 -1.743 7.551 -13.814 1.00 22.42 H new ATOM 0 HA SER A 46 -3.573 9.466 -15.000 1.00 22.54 H new ATOM 0 HB2 SER A 46 -1.104 9.506 -15.439 1.00 73.30 H new ATOM 0 HB3 SER A 46 -1.215 7.911 -16.158 1.00 73.30 H new ATOM 0 HG SER A 46 -3.017 9.177 -17.490 1.00 53.43 H new ATOM 743 N ASN A 47 -4.265 6.413 -15.208 1.00 61.35 N ATOM 744 CA ASN A 47 -5.152 5.452 -15.862 1.00 5.11 C ATOM 745 C ASN A 47 -6.576 5.859 -15.677 1.00 3.11 C ATOM 746 O ASN A 47 -7.434 5.524 -16.476 1.00 52.11 O ATOM 747 CB ASN A 47 -4.926 3.999 -15.375 1.00 34.22 C ATOM 748 CG ASN A 47 -5.277 3.696 -13.908 1.00 14.33 C ATOM 749 OD1 ASN A 47 -6.200 4.244 -13.312 1.00 22.03 O ATOM 750 ND2 ASN A 47 -4.519 2.850 -13.326 1.00 42.31 N ATOM 0 H ASN A 47 -3.921 6.140 -14.288 1.00 61.35 H new ATOM 0 HA ASN A 47 -4.910 5.462 -16.925 1.00 5.11 H new ATOM 0 HB2 ASN A 47 -5.512 3.333 -16.009 1.00 34.22 H new ATOM 0 HB3 ASN A 47 -3.877 3.747 -15.532 1.00 34.22 H new ATOM 0 HD21 ASN A 47 -4.674 2.616 -12.345 1.00 42.31 H new ATOM 0 HD22 ASN A 47 -3.758 2.407 -13.842 1.00 42.31 H new ATOM 757 N ASN A 48 -6.801 6.587 -14.593 1.00 61.41 N ATOM 758 CA ASN A 48 -8.114 7.079 -14.175 1.00 62.02 C ATOM 759 C ASN A 48 -9.214 6.034 -14.270 1.00 23.25 C ATOM 760 O ASN A 48 -10.288 6.259 -14.830 1.00 31.43 O ATOM 761 CB ASN A 48 -8.507 8.516 -14.691 1.00 4.54 C ATOM 762 CG ASN A 48 -8.590 8.739 -16.216 1.00 44.54 C ATOM 763 OD1 ASN A 48 -8.285 9.839 -16.697 1.00 13.13 O ATOM 764 ND2 ASN A 48 -9.038 7.771 -16.963 1.00 3.52 N ATOM 0 H ASN A 48 -6.053 6.863 -13.957 1.00 61.41 H new ATOM 0 HA ASN A 48 -7.995 7.257 -13.106 1.00 62.02 H new ATOM 0 HB2 ASN A 48 -9.476 8.771 -14.263 1.00 4.54 H new ATOM 0 HB3 ASN A 48 -7.784 9.225 -14.288 1.00 4.54 H new ATOM 0 HD21 ASN A 48 -9.144 7.910 -17.968 1.00 3.52 H new ATOM 0 HD22 ASN A 48 -9.282 6.874 -16.543 1.00 3.52 H new ATOM 771 N ASN A 49 -8.879 4.869 -13.766 1.00 52.14 N ATOM 772 CA ASN A 49 -9.779 3.748 -13.652 1.00 62.34 C ATOM 773 C ASN A 49 -10.119 3.596 -12.193 1.00 35.21 C ATOM 774 O ASN A 49 -9.512 4.278 -11.353 1.00 63.22 O ATOM 775 CB ASN A 49 -9.125 2.465 -14.204 1.00 45.01 C ATOM 776 CG ASN A 49 -8.852 2.521 -15.712 1.00 64.24 C ATOM 777 OD1 ASN A 49 -7.866 1.960 -16.199 1.00 5.43 O ATOM 778 ND2 ASN A 49 -9.736 3.157 -16.462 1.00 62.54 N ATOM 0 H ASN A 49 -7.943 4.671 -13.413 1.00 52.14 H new ATOM 0 HA ASN A 49 -10.683 3.919 -14.237 1.00 62.34 H new ATOM 0 HB2 ASN A 49 -8.186 2.290 -13.679 1.00 45.01 H new ATOM 0 HB3 ASN A 49 -9.773 1.615 -13.991 1.00 45.01 H new ATOM 0 HD21 ASN A 49 -9.614 3.194 -17.474 1.00 62.54 H new ATOM 0 HD22 ASN A 49 -10.540 3.611 -16.029 1.00 62.54 H new ATOM 785 N GLU A 50 -11.039 2.710 -11.868 1.00 60.24 N ATOM 786 CA GLU A 50 -11.520 2.604 -10.495 1.00 15.04 C ATOM 787 C GLU A 50 -10.488 2.062 -9.499 1.00 52.30 C ATOM 788 O GLU A 50 -10.529 2.410 -8.357 1.00 22.21 O ATOM 789 CB GLU A 50 -12.843 1.836 -10.394 1.00 40.35 C ATOM 790 CG GLU A 50 -12.790 0.385 -10.836 1.00 23.02 C ATOM 791 CD GLU A 50 -14.124 -0.293 -10.662 1.00 35.53 C ATOM 792 OE1 GLU A 50 -14.437 -0.737 -9.543 1.00 52.34 O ATOM 793 OE2 GLU A 50 -14.894 -0.362 -11.631 1.00 73.31 O ATOM 0 H GLU A 50 -11.468 2.057 -12.524 1.00 60.24 H new ATOM 0 HA GLU A 50 -11.705 3.636 -10.197 1.00 15.04 H new ATOM 0 HB2 GLU A 50 -13.185 1.871 -9.360 1.00 40.35 H new ATOM 0 HB3 GLU A 50 -13.591 2.354 -10.995 1.00 40.35 H new ATOM 0 HG2 GLU A 50 -12.488 0.333 -11.882 1.00 23.02 H new ATOM 0 HG3 GLU A 50 -12.033 -0.145 -10.258 1.00 23.02 H new ATOM 800 N VAL A 51 -9.549 1.254 -9.934 1.00 41.32 N ATOM 801 CA VAL A 51 -8.590 0.681 -8.983 1.00 44.21 C ATOM 802 C VAL A 51 -7.470 1.681 -8.728 1.00 75.13 C ATOM 803 O VAL A 51 -6.932 2.284 -9.669 1.00 51.32 O ATOM 804 CB VAL A 51 -8.001 -0.655 -9.506 1.00 14.13 C ATOM 805 CG1 VAL A 51 -7.021 -1.256 -8.503 1.00 65.40 C ATOM 806 CG2 VAL A 51 -9.120 -1.642 -9.817 1.00 25.42 C ATOM 0 H VAL A 51 -9.419 0.977 -10.907 1.00 41.32 H new ATOM 0 HA VAL A 51 -9.115 0.470 -8.052 1.00 44.21 H new ATOM 0 HB VAL A 51 -7.453 -0.446 -10.425 1.00 14.13 H new ATOM 0 HG11 VAL A 51 -6.625 -2.192 -8.897 1.00 65.40 H new ATOM 0 HG12 VAL A 51 -6.201 -0.558 -8.332 1.00 65.40 H new ATOM 0 HG13 VAL A 51 -7.536 -1.448 -7.562 1.00 65.40 H new ATOM 0 HG21 VAL A 51 -8.691 -2.575 -10.183 1.00 25.42 H new ATOM 0 HG22 VAL A 51 -9.695 -1.837 -8.912 1.00 25.42 H new ATOM 0 HG23 VAL A 51 -9.776 -1.220 -10.579 1.00 25.42 H new ATOM 816 N SER A 52 -7.139 1.879 -7.467 1.00 71.04 N ATOM 817 CA SER A 52 -6.157 2.867 -7.080 1.00 72.13 C ATOM 818 C SER A 52 -5.267 2.352 -5.931 1.00 31.51 C ATOM 819 O SER A 52 -5.480 1.257 -5.412 1.00 40.32 O ATOM 820 CB SER A 52 -6.912 4.111 -6.614 1.00 32.31 C ATOM 821 OG SER A 52 -7.856 4.515 -7.595 1.00 42.52 O ATOM 0 H SER A 52 -7.542 1.361 -6.687 1.00 71.04 H new ATOM 0 HA SER A 52 -5.510 3.088 -7.929 1.00 72.13 H new ATOM 0 HB2 SER A 52 -7.422 3.903 -5.673 1.00 32.31 H new ATOM 0 HB3 SER A 52 -6.208 4.921 -6.423 1.00 32.31 H new ATOM 0 HG SER A 52 -8.730 4.649 -7.172 1.00 42.52 H new ATOM 827 N PHE A 53 -4.254 3.133 -5.573 1.00 3.54 N ATOM 828 CA PHE A 53 -3.424 2.855 -4.416 1.00 24.01 C ATOM 829 C PHE A 53 -2.764 4.157 -3.970 1.00 71.14 C ATOM 830 O PHE A 53 -2.795 5.119 -4.708 1.00 21.11 O ATOM 831 CB PHE A 53 -2.358 1.738 -4.672 1.00 60.31 C ATOM 832 CG PHE A 53 -1.272 2.066 -5.668 1.00 4.05 C ATOM 833 CD1 PHE A 53 -0.258 2.938 -5.325 1.00 1.02 C ATOM 834 CD2 PHE A 53 -1.249 1.484 -6.924 1.00 55.34 C ATOM 835 CE1 PHE A 53 0.745 3.237 -6.192 1.00 2.12 C ATOM 836 CE2 PHE A 53 -0.230 1.782 -7.814 1.00 54.41 C ATOM 837 CZ PHE A 53 0.770 2.662 -7.447 1.00 63.32 C ATOM 0 H PHE A 53 -3.988 3.977 -6.080 1.00 3.54 H new ATOM 0 HA PHE A 53 -4.064 2.464 -3.625 1.00 24.01 H new ATOM 0 HB2 PHE A 53 -1.887 1.490 -3.721 1.00 60.31 H new ATOM 0 HB3 PHE A 53 -2.876 0.842 -5.014 1.00 60.31 H new ATOM 0 HD1 PHE A 53 -0.262 3.393 -4.345 1.00 1.02 H new ATOM 0 HD2 PHE A 53 -2.029 0.795 -7.211 1.00 55.34 H new ATOM 0 HE1 PHE A 53 1.524 3.925 -5.899 1.00 2.12 H new ATOM 0 HE2 PHE A 53 -0.217 1.327 -8.793 1.00 54.41 H new ATOM 0 HZ PHE A 53 1.566 2.899 -8.137 1.00 63.32 H new ATOM 847 N HIS A 54 -2.152 4.180 -2.803 1.00 33.44 N ATOM 848 CA HIS A 54 -1.523 5.401 -2.308 1.00 31.33 C ATOM 849 C HIS A 54 -0.073 5.469 -2.661 1.00 52.53 C ATOM 850 O HIS A 54 0.350 6.343 -3.421 1.00 70.10 O ATOM 851 CB HIS A 54 -1.673 5.567 -0.787 1.00 71.34 C ATOM 852 CG HIS A 54 -3.051 5.858 -0.295 1.00 45.33 C ATOM 853 ND1 HIS A 54 -3.922 4.857 0.039 1.00 32.32 N ATOM 854 CD2 HIS A 54 -3.632 7.054 -0.054 1.00 34.12 C ATOM 855 CE1 HIS A 54 -5.017 5.482 0.477 1.00 24.41 C ATOM 856 NE2 HIS A 54 -4.880 6.798 0.433 1.00 41.54 N ATOM 0 H HIS A 54 -2.074 3.377 -2.179 1.00 33.44 H new ATOM 0 HA HIS A 54 -2.051 6.216 -2.802 1.00 31.33 H new ATOM 0 HB2 HIS A 54 -1.321 4.655 -0.305 1.00 71.34 H new ATOM 0 HB3 HIS A 54 -1.015 6.373 -0.462 1.00 71.34 H new ATOM 0 HD2 HIS A 54 -3.192 8.027 -0.216 1.00 34.12 H new ATOM 0 HE1 HIS A 54 -5.906 4.976 0.825 1.00 24.41 H new ATOM 0 HE2 HIS A 54 -5.576 7.490 0.711 1.00 41.54 H new ATOM 864 N ILE A 55 0.682 4.549 -2.140 1.00 70.42 N ATOM 865 CA ILE A 55 2.111 4.604 -2.257 1.00 41.41 C ATOM 866 C ILE A 55 2.626 3.327 -2.857 1.00 5.42 C ATOM 867 O ILE A 55 2.181 2.228 -2.496 1.00 12.32 O ATOM 868 CB ILE A 55 2.786 4.779 -0.861 1.00 24.20 C ATOM 869 CG1 ILE A 55 2.184 5.966 -0.099 1.00 32.31 C ATOM 870 CG2 ILE A 55 4.272 5.050 -1.075 1.00 63.31 C ATOM 871 CD1 ILE A 55 2.516 6.002 1.372 1.00 4.33 C ATOM 0 H ILE A 55 0.329 3.743 -1.624 1.00 70.42 H new ATOM 0 HA ILE A 55 2.353 5.457 -2.891 1.00 41.41 H new ATOM 0 HB ILE A 55 2.625 3.871 -0.279 1.00 24.20 H new ATOM 0 HG12 ILE A 55 2.532 6.891 -0.559 1.00 32.31 H new ATOM 0 HG13 ILE A 55 1.100 5.942 -0.213 1.00 32.31 H new ATOM 0 HG21 ILE A 55 4.762 5.175 -0.109 1.00 63.31 H new ATOM 0 HG22 ILE A 55 4.723 4.210 -1.604 1.00 63.31 H new ATOM 0 HG23 ILE A 55 4.395 5.958 -1.665 1.00 63.31 H new ATOM 0 HD11 ILE A 55 2.049 6.874 1.829 1.00 4.33 H new ATOM 0 HD12 ILE A 55 2.143 5.097 1.852 1.00 4.33 H new ATOM 0 HD13 ILE A 55 3.597 6.061 1.500 1.00 4.33 H new ATOM 883 N ALA A 56 3.531 3.463 -3.762 1.00 3.34 N ATOM 884 CA ALA A 56 4.188 2.321 -4.346 1.00 1.13 C ATOM 885 C ALA A 56 5.655 2.359 -4.010 1.00 52.13 C ATOM 886 O ALA A 56 6.299 3.407 -4.140 1.00 0.21 O ATOM 887 CB ALA A 56 4.002 2.287 -5.850 1.00 40.32 C ATOM 0 H ALA A 56 3.844 4.363 -4.126 1.00 3.34 H new ATOM 0 HA ALA A 56 3.739 1.418 -3.933 1.00 1.13 H new ATOM 0 HB1 ALA A 56 4.510 1.414 -6.260 1.00 40.32 H new ATOM 0 HB2 ALA A 56 2.939 2.232 -6.084 1.00 40.32 H new ATOM 0 HB3 ALA A 56 4.424 3.191 -6.289 1.00 40.32 H new ATOM 893 N VAL A 57 6.173 1.259 -3.539 1.00 43.20 N ATOM 894 CA VAL A 57 7.575 1.144 -3.276 1.00 75.52 C ATOM 895 C VAL A 57 8.190 0.102 -4.184 1.00 14.01 C ATOM 896 O VAL A 57 7.638 -1.001 -4.359 1.00 35.12 O ATOM 897 CB VAL A 57 7.896 0.791 -1.792 1.00 13.33 C ATOM 898 CG1 VAL A 57 7.445 1.879 -0.847 1.00 33.21 C ATOM 899 CG2 VAL A 57 7.308 -0.546 -1.381 1.00 71.01 C ATOM 0 H VAL A 57 5.634 0.419 -3.328 1.00 43.20 H new ATOM 0 HA VAL A 57 8.007 2.125 -3.473 1.00 75.52 H new ATOM 0 HB VAL A 57 8.981 0.711 -1.725 1.00 13.33 H new ATOM 0 HG11 VAL A 57 7.687 1.595 0.177 1.00 33.21 H new ATOM 0 HG12 VAL A 57 7.954 2.810 -1.095 1.00 33.21 H new ATOM 0 HG13 VAL A 57 6.368 2.018 -0.940 1.00 33.21 H new ATOM 0 HG21 VAL A 57 7.558 -0.749 -0.340 1.00 71.01 H new ATOM 0 HG22 VAL A 57 6.224 -0.517 -1.495 1.00 71.01 H new ATOM 0 HG23 VAL A 57 7.719 -1.334 -2.013 1.00 71.01 H new ATOM 909 N ASP A 58 9.281 0.441 -4.790 1.00 12.15 N ATOM 910 CA ASP A 58 9.985 -0.512 -5.587 1.00 4.35 C ATOM 911 C ASP A 58 11.310 -0.791 -4.934 1.00 72.41 C ATOM 912 O ASP A 58 11.577 -0.294 -3.823 1.00 73.53 O ATOM 913 CB ASP A 58 10.136 -0.100 -7.077 1.00 51.10 C ATOM 914 CG ASP A 58 11.143 0.989 -7.388 1.00 24.43 C ATOM 915 OD1 ASP A 58 12.300 0.664 -7.574 1.00 4.44 O ATOM 916 OD2 ASP A 58 10.767 2.152 -7.519 1.00 51.13 O ATOM 0 H ASP A 58 9.704 1.368 -4.749 1.00 12.15 H new ATOM 0 HA ASP A 58 9.391 -1.425 -5.628 1.00 4.35 H new ATOM 0 HB2 ASP A 58 10.408 -0.987 -7.648 1.00 51.10 H new ATOM 0 HB3 ASP A 58 9.161 0.226 -7.439 1.00 51.10 H new ATOM 921 N ASP A 59 12.126 -1.603 -5.569 1.00 10.44 N ATOM 922 CA ASP A 59 13.428 -1.986 -5.002 1.00 63.35 C ATOM 923 C ASP A 59 14.326 -0.755 -4.854 1.00 44.12 C ATOM 924 O ASP A 59 15.248 -0.732 -4.025 1.00 2.41 O ATOM 925 CB ASP A 59 14.136 -3.057 -5.872 1.00 2.23 C ATOM 926 CG ASP A 59 14.776 -2.533 -7.135 1.00 31.25 C ATOM 927 OD1 ASP A 59 14.096 -2.409 -8.144 1.00 50.23 O ATOM 928 OD2 ASP A 59 16.007 -2.287 -7.131 1.00 63.11 O ATOM 0 H ASP A 59 11.924 -2.018 -6.479 1.00 10.44 H new ATOM 0 HA ASP A 59 13.245 -2.419 -4.018 1.00 63.35 H new ATOM 0 HB2 ASP A 59 14.903 -3.544 -5.269 1.00 2.23 H new ATOM 0 HB3 ASP A 59 13.409 -3.823 -6.142 1.00 2.23 H new ATOM 933 N LYS A 60 14.030 0.254 -5.632 1.00 63.31 N ATOM 934 CA LYS A 60 14.761 1.484 -5.648 1.00 24.14 C ATOM 935 C LYS A 60 14.064 2.601 -4.852 1.00 50.44 C ATOM 936 O LYS A 60 14.550 3.015 -3.797 1.00 41.13 O ATOM 937 CB LYS A 60 14.982 1.929 -7.109 1.00 12.04 C ATOM 938 CG LYS A 60 15.553 3.321 -7.278 1.00 23.30 C ATOM 939 CD LYS A 60 16.923 3.455 -6.629 1.00 3.52 C ATOM 940 CE LYS A 60 17.454 4.875 -6.719 1.00 30.33 C ATOM 941 NZ LYS A 60 18.793 5.009 -6.097 1.00 64.45 N ATOM 0 H LYS A 60 13.250 0.237 -6.289 1.00 63.31 H new ATOM 0 HA LYS A 60 15.719 1.303 -5.160 1.00 24.14 H new ATOM 0 HB2 LYS A 60 15.652 1.217 -7.592 1.00 12.04 H new ATOM 0 HB3 LYS A 60 14.029 1.878 -7.636 1.00 12.04 H new ATOM 0 HG2 LYS A 60 15.630 3.555 -8.340 1.00 23.30 H new ATOM 0 HG3 LYS A 60 14.871 4.049 -6.839 1.00 23.30 H new ATOM 0 HD2 LYS A 60 16.860 3.156 -5.583 1.00 3.52 H new ATOM 0 HD3 LYS A 60 17.623 2.774 -7.113 1.00 3.52 H new ATOM 0 HE2 LYS A 60 17.509 5.176 -7.765 1.00 30.33 H new ATOM 0 HE3 LYS A 60 16.757 5.554 -6.228 1.00 30.33 H new ATOM 0 HZ1 LYS A 60 19.118 5.993 -6.181 1.00 64.45 H new ATOM 0 HZ2 LYS A 60 18.737 4.747 -5.092 1.00 64.45 H new ATOM 0 HZ3 LYS A 60 19.465 4.380 -6.581 1.00 64.45 H new ATOM 955 N LYS A 61 12.933 3.071 -5.336 1.00 70.41 N ATOM 956 CA LYS A 61 12.321 4.256 -4.795 1.00 12.32 C ATOM 957 C LYS A 61 10.861 4.091 -4.446 1.00 40.25 C ATOM 958 O LYS A 61 10.212 3.127 -4.832 1.00 25.21 O ATOM 959 CB LYS A 61 12.568 5.466 -5.712 1.00 3.15 C ATOM 960 CG LYS A 61 12.307 5.209 -7.182 1.00 34.13 C ATOM 961 CD LYS A 61 12.520 6.465 -7.995 1.00 30.55 C ATOM 962 CE LYS A 61 12.414 6.186 -9.476 1.00 63.33 C ATOM 963 NZ LYS A 61 12.452 7.424 -10.280 1.00 54.14 N ATOM 0 H LYS A 61 12.420 2.644 -6.108 1.00 70.41 H new ATOM 0 HA LYS A 61 12.812 4.444 -3.840 1.00 12.32 H new ATOM 0 HB2 LYS A 61 11.934 6.290 -5.383 1.00 3.15 H new ATOM 0 HB3 LYS A 61 13.601 5.791 -5.592 1.00 3.15 H new ATOM 0 HG2 LYS A 61 12.970 4.422 -7.541 1.00 34.13 H new ATOM 0 HG3 LYS A 61 11.286 4.852 -7.317 1.00 34.13 H new ATOM 0 HD2 LYS A 61 11.781 7.214 -7.710 1.00 30.55 H new ATOM 0 HD3 LYS A 61 13.501 6.883 -7.771 1.00 30.55 H new ATOM 0 HE2 LYS A 61 13.231 5.532 -9.780 1.00 63.33 H new ATOM 0 HE3 LYS A 61 11.486 5.652 -9.678 1.00 63.33 H new ATOM 0 HZ1 LYS A 61 12.479 7.181 -11.291 1.00 54.14 H new ATOM 0 HZ2 LYS A 61 11.603 7.992 -10.083 1.00 54.14 H new ATOM 0 HZ3 LYS A 61 13.301 7.972 -10.033 1.00 54.14 H new ATOM 977 N ALA A 62 10.377 5.017 -3.659 1.00 23.33 N ATOM 978 CA ALA A 62 9.004 5.031 -3.229 1.00 60.15 C ATOM 979 C ALA A 62 8.340 6.254 -3.788 1.00 40.42 C ATOM 980 O ALA A 62 8.844 7.360 -3.641 1.00 34.22 O ATOM 981 CB ALA A 62 8.927 5.067 -1.708 1.00 51.41 C ATOM 0 H ALA A 62 10.932 5.791 -3.295 1.00 23.33 H new ATOM 0 HA ALA A 62 8.503 4.130 -3.584 1.00 60.15 H new ATOM 0 HB1 ALA A 62 7.882 5.077 -1.397 1.00 51.41 H new ATOM 0 HB2 ALA A 62 9.419 4.185 -1.298 1.00 51.41 H new ATOM 0 HB3 ALA A 62 9.424 5.964 -1.340 1.00 51.41 H new ATOM 987 N ILE A 63 7.235 6.071 -4.432 1.00 44.43 N ATOM 988 CA ILE A 63 6.515 7.170 -5.005 1.00 63.35 C ATOM 989 C ILE A 63 5.084 7.115 -4.536 1.00 43.14 C ATOM 990 O ILE A 63 4.467 6.044 -4.520 1.00 11.42 O ATOM 991 CB ILE A 63 6.537 7.202 -6.584 1.00 15.12 C ATOM 992 CG1 ILE A 63 7.955 7.364 -7.174 1.00 22.01 C ATOM 993 CG2 ILE A 63 5.654 8.302 -7.117 1.00 52.24 C ATOM 994 CD1 ILE A 63 8.831 6.146 -7.094 1.00 23.13 C ATOM 0 H ILE A 63 6.803 5.159 -4.578 1.00 44.43 H new ATOM 0 HA ILE A 63 7.017 8.078 -4.670 1.00 63.35 H new ATOM 0 HB ILE A 63 6.157 6.230 -6.899 1.00 15.12 H new ATOM 0 HG12 ILE A 63 7.863 7.656 -8.220 1.00 22.01 H new ATOM 0 HG13 ILE A 63 8.454 8.184 -6.657 1.00 22.01 H new ATOM 0 HG21 ILE A 63 5.688 8.301 -8.206 1.00 52.24 H new ATOM 0 HG22 ILE A 63 4.628 8.138 -6.786 1.00 52.24 H new ATOM 0 HG23 ILE A 63 6.006 9.264 -6.744 1.00 52.24 H new ATOM 0 HD11 ILE A 63 9.803 6.367 -7.535 1.00 23.13 H new ATOM 0 HD12 ILE A 63 8.963 5.861 -6.050 1.00 23.13 H new ATOM 0 HD13 ILE A 63 8.364 5.325 -7.638 1.00 23.13 H new ATOM 1006 N GLN A 64 4.565 8.231 -4.127 1.00 63.42 N ATOM 1007 CA GLN A 64 3.195 8.281 -3.701 1.00 65.35 C ATOM 1008 C GLN A 64 2.351 8.974 -4.769 1.00 64.23 C ATOM 1009 O GLN A 64 2.780 9.981 -5.363 1.00 4.12 O ATOM 1010 CB GLN A 64 3.059 9.021 -2.394 1.00 75.01 C ATOM 1011 CG GLN A 64 1.692 8.885 -1.793 1.00 63.13 C ATOM 1012 CD GLN A 64 1.485 9.769 -0.587 1.00 74.04 C ATOM 1013 OE1 GLN A 64 2.418 10.091 0.145 1.00 71.02 O ATOM 1014 NE2 GLN A 64 0.270 10.136 -0.359 1.00 72.03 N ATOM 0 H GLN A 64 5.065 9.119 -4.078 1.00 63.42 H new ATOM 0 HA GLN A 64 2.845 7.259 -3.556 1.00 65.35 H new ATOM 0 HB2 GLN A 64 3.801 8.645 -1.689 1.00 75.01 H new ATOM 0 HB3 GLN A 64 3.278 10.077 -2.554 1.00 75.01 H new ATOM 0 HG2 GLN A 64 0.944 9.129 -2.547 1.00 63.13 H new ATOM 0 HG3 GLN A 64 1.529 7.846 -1.507 1.00 63.13 H new ATOM 0 HE21 GLN A 64 -0.477 9.848 -0.991 1.00 72.03 H new ATOM 0 HE22 GLN A 64 0.056 10.715 0.453 1.00 72.03 H new ATOM 1023 N GLY A 65 1.163 8.454 -4.995 1.00 43.44 N ATOM 1024 CA GLY A 65 0.291 9.007 -6.028 1.00 62.22 C ATOM 1025 C GLY A 65 -1.057 9.459 -5.510 1.00 25.41 C ATOM 1026 O GLY A 65 -1.630 10.417 -6.015 1.00 61.02 O ATOM 0 H GLY A 65 0.776 7.658 -4.488 1.00 43.44 H new ATOM 0 HA2 GLY A 65 0.792 9.853 -6.498 1.00 62.22 H new ATOM 0 HA3 GLY A 65 0.139 8.256 -6.803 1.00 62.22 H new ATOM 1030 N ILE A 66 -1.575 8.786 -4.534 1.00 53.12 N ATOM 1031 CA ILE A 66 -2.842 9.187 -3.957 1.00 24.02 C ATOM 1032 C ILE A 66 -2.604 9.688 -2.550 1.00 70.43 C ATOM 1033 O ILE A 66 -1.846 9.071 -1.795 1.00 3.24 O ATOM 1034 CB ILE A 66 -3.898 8.037 -4.001 1.00 2.53 C ATOM 1035 CG1 ILE A 66 -4.217 7.673 -5.459 1.00 23.00 C ATOM 1036 CG2 ILE A 66 -5.179 8.378 -3.234 1.00 33.22 C ATOM 1037 CD1 ILE A 66 -4.835 8.781 -6.259 1.00 44.03 C ATOM 0 H ILE A 66 -1.152 7.959 -4.113 1.00 53.12 H new ATOM 0 HA ILE A 66 -3.264 9.995 -4.554 1.00 24.02 H new ATOM 0 HB ILE A 66 -3.459 7.175 -3.499 1.00 2.53 H new ATOM 0 HG12 ILE A 66 -3.297 7.358 -5.950 1.00 23.00 H new ATOM 0 HG13 ILE A 66 -4.892 6.817 -5.467 1.00 23.00 H new ATOM 0 HG21 ILE A 66 -5.876 7.542 -3.299 1.00 33.22 H new ATOM 0 HG22 ILE A 66 -4.937 8.568 -2.188 1.00 33.22 H new ATOM 0 HG23 ILE A 66 -5.637 9.267 -3.668 1.00 33.22 H new ATOM 0 HD11 ILE A 66 -5.026 8.434 -7.275 1.00 44.03 H new ATOM 0 HD12 ILE A 66 -5.775 9.083 -5.797 1.00 44.03 H new ATOM 0 HD13 ILE A 66 -4.155 9.632 -6.288 1.00 44.03 H new ATOM 1049 N PRO A 67 -3.176 10.858 -2.205 1.00 71.40 N ATOM 1050 CA PRO A 67 -3.012 11.468 -0.889 1.00 62.00 C ATOM 1051 C PRO A 67 -3.508 10.571 0.247 1.00 24.45 C ATOM 1052 O PRO A 67 -4.638 10.087 0.227 1.00 74.05 O ATOM 1053 CB PRO A 67 -3.853 12.751 -0.975 1.00 22.35 C ATOM 1054 CG PRO A 67 -4.780 12.517 -2.105 1.00 31.11 C ATOM 1055 CD PRO A 67 -4.028 11.684 -3.079 1.00 65.54 C ATOM 0 HA PRO A 67 -1.962 11.648 -0.659 1.00 62.00 H new ATOM 0 HB2 PRO A 67 -4.397 12.931 -0.048 1.00 22.35 H new ATOM 0 HB3 PRO A 67 -3.226 13.625 -1.152 1.00 22.35 H new ATOM 0 HG2 PRO A 67 -5.684 12.008 -1.770 1.00 31.11 H new ATOM 0 HG3 PRO A 67 -5.093 13.459 -2.556 1.00 31.11 H new ATOM 0 HD2 PRO A 67 -4.694 11.074 -3.690 1.00 65.54 H new ATOM 0 HD3 PRO A 67 -3.437 12.294 -3.763 1.00 65.54 H new ATOM 1063 N LEU A 68 -2.659 10.397 1.244 1.00 24.15 N ATOM 1064 CA LEU A 68 -2.916 9.534 2.403 1.00 3.10 C ATOM 1065 C LEU A 68 -4.096 9.997 3.245 1.00 24.34 C ATOM 1066 O LEU A 68 -4.585 9.256 4.065 1.00 63.13 O ATOM 1067 CB LEU A 68 -1.665 9.447 3.270 1.00 53.43 C ATOM 1068 CG LEU A 68 -0.482 8.654 2.706 1.00 5.55 C ATOM 1069 CD1 LEU A 68 0.757 8.925 3.534 1.00 74.30 C ATOM 1070 CD2 LEU A 68 -0.790 7.159 2.746 1.00 51.11 C ATOM 0 H LEU A 68 -1.750 10.858 1.279 1.00 24.15 H new ATOM 0 HA LEU A 68 -3.175 8.550 2.012 1.00 3.10 H new ATOM 0 HB2 LEU A 68 -1.325 10.462 3.477 1.00 53.43 H new ATOM 0 HB3 LEU A 68 -1.945 9.004 4.226 1.00 53.43 H new ATOM 0 HG LEU A 68 -0.311 8.964 1.675 1.00 5.55 H new ATOM 0 HD11 LEU A 68 1.596 8.359 3.129 1.00 74.30 H new ATOM 0 HD12 LEU A 68 0.989 9.990 3.504 1.00 74.30 H new ATOM 0 HD13 LEU A 68 0.579 8.622 4.566 1.00 74.30 H new ATOM 0 HD21 LEU A 68 0.056 6.602 2.343 1.00 51.11 H new ATOM 0 HD22 LEU A 68 -0.969 6.852 3.776 1.00 51.11 H new ATOM 0 HD23 LEU A 68 -1.677 6.954 2.147 1.00 51.11 H new ATOM 1082 N GLU A 69 -4.539 11.219 3.053 1.00 61.35 N ATOM 1083 CA GLU A 69 -5.670 11.714 3.807 1.00 62.45 C ATOM 1084 C GLU A 69 -6.941 11.709 2.967 1.00 12.02 C ATOM 1085 O GLU A 69 -7.912 12.421 3.241 1.00 71.11 O ATOM 1086 CB GLU A 69 -5.367 13.066 4.424 1.00 51.41 C ATOM 1087 CG GLU A 69 -4.264 12.990 5.456 1.00 41.44 C ATOM 1088 CD GLU A 69 -3.999 14.291 6.140 1.00 22.43 C ATOM 1089 OE1 GLU A 69 -4.698 14.593 7.134 1.00 1.20 O ATOM 1090 OE2 GLU A 69 -3.060 15.013 5.727 1.00 63.02 O ATOM 0 H GLU A 69 -4.139 11.882 2.389 1.00 61.35 H new ATOM 0 HA GLU A 69 -5.854 11.033 4.638 1.00 62.45 H new ATOM 0 HB2 GLU A 69 -5.080 13.765 3.639 1.00 51.41 H new ATOM 0 HB3 GLU A 69 -6.270 13.462 4.889 1.00 51.41 H new ATOM 0 HG2 GLU A 69 -4.528 12.242 6.204 1.00 41.44 H new ATOM 0 HG3 GLU A 69 -3.348 12.649 4.973 1.00 41.44 H new ATOM 1097 N ARG A 70 -6.911 10.918 1.942 1.00 65.32 N ATOM 1098 CA ARG A 70 -8.062 10.602 1.152 1.00 4.30 C ATOM 1099 C ARG A 70 -8.146 9.111 0.972 1.00 22.02 C ATOM 1100 O ARG A 70 -7.188 8.389 1.285 1.00 61.35 O ATOM 1101 CB ARG A 70 -8.140 11.305 -0.204 1.00 42.34 C ATOM 1102 CG ARG A 70 -8.813 12.682 -0.223 1.00 61.30 C ATOM 1103 CD ARG A 70 -7.854 13.863 -0.281 1.00 60.12 C ATOM 1104 NE ARG A 70 -7.157 14.149 0.964 1.00 11.12 N ATOM 1105 CZ ARG A 70 -6.181 15.070 1.071 1.00 32.12 C ATOM 1106 NH1 ARG A 70 -5.686 15.664 -0.024 1.00 62.33 N ATOM 1107 NH2 ARG A 70 -5.706 15.398 2.267 1.00 42.44 N ATOM 0 H ARG A 70 -6.059 10.459 1.620 1.00 65.32 H new ATOM 0 HA ARG A 70 -8.918 10.983 1.709 1.00 4.30 H new ATOM 0 HB2 ARG A 70 -7.127 11.415 -0.590 1.00 42.34 H new ATOM 0 HB3 ARG A 70 -8.675 10.654 -0.895 1.00 42.34 H new ATOM 0 HG2 ARG A 70 -9.481 12.732 -1.083 1.00 61.30 H new ATOM 0 HG3 ARG A 70 -9.433 12.780 0.668 1.00 61.30 H new ATOM 0 HD2 ARG A 70 -7.114 13.674 -1.059 1.00 60.12 H new ATOM 0 HD3 ARG A 70 -8.412 14.751 -0.580 1.00 60.12 H new ATOM 0 HE ARG A 70 -7.421 13.625 1.798 1.00 11.12 H new ATOM 0 HH11 ARG A 70 -6.049 15.419 -0.945 1.00 62.33 H new ATOM 0 HH12 ARG A 70 -4.947 16.361 0.064 1.00 62.33 H new ATOM 0 HH21 ARG A 70 -6.081 14.952 3.104 1.00 42.44 H new ATOM 0 HH22 ARG A 70 -4.966 16.096 2.348 1.00 42.44 H new ATOM 1121 N ASN A 71 -9.272 8.647 0.480 1.00 70.10 N ATOM 1122 CA ASN A 71 -9.502 7.226 0.312 1.00 24.13 C ATOM 1123 C ASN A 71 -8.723 6.708 -0.900 1.00 70.12 C ATOM 1124 O ASN A 71 -8.057 7.464 -1.588 1.00 2.13 O ATOM 1125 CB ASN A 71 -11.021 6.941 0.109 1.00 42.40 C ATOM 1126 CG ASN A 71 -11.560 7.290 -1.287 1.00 11.15 C ATOM 1127 OD1 ASN A 71 -11.987 8.398 -1.549 1.00 20.41 O ATOM 1128 ND2 ASN A 71 -11.584 6.317 -2.168 1.00 40.11 N ATOM 0 H ASN A 71 -10.050 9.237 0.186 1.00 70.10 H new ATOM 0 HA ASN A 71 -9.160 6.714 1.211 1.00 24.13 H new ATOM 0 HB2 ASN A 71 -11.207 5.884 0.301 1.00 42.40 H new ATOM 0 HB3 ASN A 71 -11.585 7.505 0.852 1.00 42.40 H new ATOM 0 HD21 ASN A 71 -11.968 6.481 -3.099 1.00 40.11 H new ATOM 0 HD22 ASN A 71 -11.219 5.397 -1.922 1.00 40.11 H new ATOM 1135 N ALA A 72 -8.801 5.431 -1.133 1.00 63.22 N ATOM 1136 CA ALA A 72 -8.241 4.831 -2.314 1.00 73.23 C ATOM 1137 C ALA A 72 -8.998 3.587 -2.582 1.00 14.44 C ATOM 1138 O ALA A 72 -9.296 2.836 -1.647 1.00 41.23 O ATOM 1139 CB ALA A 72 -6.767 4.510 -2.148 1.00 63.44 C ATOM 0 H ALA A 72 -9.258 4.769 -0.506 1.00 63.22 H new ATOM 0 HA ALA A 72 -8.319 5.533 -3.144 1.00 73.23 H new ATOM 0 HB1 ALA A 72 -6.387 4.059 -3.065 1.00 63.44 H new ATOM 0 HB2 ALA A 72 -6.216 5.427 -1.940 1.00 63.44 H new ATOM 0 HB3 ALA A 72 -6.637 3.813 -1.320 1.00 63.44 H new ATOM 1145 N TRP A 73 -9.356 3.359 -3.811 1.00 52.41 N ATOM 1146 CA TRP A 73 -10.056 2.157 -4.120 1.00 63.50 C ATOM 1147 C TRP A 73 -9.035 1.046 -4.189 1.00 52.31 C ATOM 1148 O TRP A 73 -8.275 0.947 -5.140 1.00 20.42 O ATOM 1149 CB TRP A 73 -10.784 2.308 -5.440 1.00 65.20 C ATOM 1150 CG TRP A 73 -11.674 3.534 -5.521 1.00 44.30 C ATOM 1151 CD1 TRP A 73 -11.636 4.506 -6.484 1.00 52.21 C ATOM 1152 CD2 TRP A 73 -12.685 3.949 -4.587 1.00 21.54 C ATOM 1153 NE1 TRP A 73 -12.582 5.464 -6.223 1.00 43.22 N ATOM 1154 CE2 TRP A 73 -13.232 5.149 -5.065 1.00 64.03 C ATOM 1155 CE3 TRP A 73 -13.184 3.418 -3.411 1.00 72.44 C ATOM 1156 CZ2 TRP A 73 -14.251 5.817 -4.398 1.00 43.13 C ATOM 1157 CZ3 TRP A 73 -14.188 4.081 -2.746 1.00 22.53 C ATOM 1158 CH2 TRP A 73 -14.714 5.271 -3.241 1.00 33.42 C ATOM 0 H TRP A 73 -9.177 3.980 -4.600 1.00 52.41 H new ATOM 0 HA TRP A 73 -10.803 1.931 -3.359 1.00 63.50 H new ATOM 0 HB2 TRP A 73 -10.050 2.352 -6.244 1.00 65.20 H new ATOM 0 HB3 TRP A 73 -11.392 1.419 -5.611 1.00 65.20 H new ATOM 0 HD1 TRP A 73 -10.960 4.517 -7.326 1.00 52.21 H new ATOM 0 HE1 TRP A 73 -12.770 6.282 -6.802 1.00 43.22 H new ATOM 0 HE3 TRP A 73 -12.789 2.492 -3.019 1.00 72.44 H new ATOM 0 HZ2 TRP A 73 -14.662 6.738 -4.785 1.00 43.13 H new ATOM 0 HZ3 TRP A 73 -14.575 3.672 -1.824 1.00 22.53 H new ATOM 0 HH2 TRP A 73 -15.503 5.769 -2.697 1.00 33.42 H new ATOM 1169 N ALA A 74 -9.030 0.224 -3.184 1.00 4.54 N ATOM 1170 CA ALA A 74 -8.006 -0.771 -3.023 1.00 21.14 C ATOM 1171 C ALA A 74 -8.559 -2.135 -2.811 1.00 11.24 C ATOM 1172 O ALA A 74 -8.008 -3.109 -3.292 1.00 72.21 O ATOM 1173 CB ALA A 74 -7.143 -0.416 -1.849 1.00 24.22 C ATOM 0 H ALA A 74 -9.737 0.222 -2.449 1.00 4.54 H new ATOM 0 HA ALA A 74 -7.428 -0.785 -3.947 1.00 21.14 H new ATOM 0 HB1 ALA A 74 -6.366 -1.171 -1.727 1.00 24.22 H new ATOM 0 HB2 ALA A 74 -6.681 0.556 -2.018 1.00 24.22 H new ATOM 0 HB3 ALA A 74 -7.754 -0.375 -0.947 1.00 24.22 H new ATOM 1179 N CYS A 75 -9.613 -2.227 -2.053 1.00 52.55 N ATOM 1180 CA CYS A 75 -10.164 -3.503 -1.747 1.00 62.14 C ATOM 1181 C CYS A 75 -11.160 -3.910 -2.822 1.00 23.32 C ATOM 1182 O CYS A 75 -11.428 -5.089 -3.023 1.00 63.43 O ATOM 1183 CB CYS A 75 -10.793 -3.516 -0.343 1.00 2.32 C ATOM 1184 SG CYS A 75 -12.169 -2.379 -0.080 1.00 10.14 S ATOM 0 H CYS A 75 -10.102 -1.433 -1.640 1.00 52.55 H new ATOM 0 HA CYS A 75 -9.361 -4.240 -1.736 1.00 62.14 H new ATOM 0 HB2 CYS A 75 -11.139 -4.528 -0.131 1.00 2.32 H new ATOM 0 HB3 CYS A 75 -10.014 -3.286 0.384 1.00 2.32 H new ATOM 0 HG CYS A 75 -11.885 -1.225 -0.606 1.00 10.14 H new ATOM 1190 N GLY A 76 -11.697 -2.919 -3.508 1.00 53.01 N ATOM 1191 CA GLY A 76 -12.624 -3.168 -4.591 1.00 35.52 C ATOM 1192 C GLY A 76 -13.966 -3.650 -4.098 1.00 54.35 C ATOM 1193 O GLY A 76 -14.744 -4.218 -4.848 1.00 0.34 O ATOM 0 H GLY A 76 -11.506 -1.933 -3.333 1.00 53.01 H new ATOM 0 HA2 GLY A 76 -12.759 -2.253 -5.168 1.00 35.52 H new ATOM 0 HA3 GLY A 76 -12.199 -3.911 -5.266 1.00 35.52 H new ATOM 1197 N ASP A 77 -14.246 -3.421 -2.832 1.00 43.14 N ATOM 1198 CA ASP A 77 -15.504 -3.878 -2.243 1.00 72.32 C ATOM 1199 C ASP A 77 -16.551 -2.773 -2.296 1.00 24.34 C ATOM 1200 O ASP A 77 -17.713 -2.974 -1.977 1.00 45.55 O ATOM 1201 CB ASP A 77 -15.259 -4.343 -0.790 1.00 31.24 C ATOM 1202 CG ASP A 77 -16.513 -4.824 -0.077 1.00 53.41 C ATOM 1203 OD1 ASP A 77 -16.913 -5.982 -0.276 1.00 4.51 O ATOM 1204 OD2 ASP A 77 -17.107 -4.038 0.704 1.00 54.14 O ATOM 0 H ASP A 77 -13.629 -2.925 -2.188 1.00 43.14 H new ATOM 0 HA ASP A 77 -15.884 -4.722 -2.819 1.00 72.32 H new ATOM 0 HB2 ASP A 77 -14.525 -5.148 -0.796 1.00 31.24 H new ATOM 0 HB3 ASP A 77 -14.824 -3.519 -0.224 1.00 31.24 H new ATOM 1209 N GLY A 78 -16.146 -1.627 -2.765 1.00 13.11 N ATOM 1210 CA GLY A 78 -17.027 -0.500 -2.786 1.00 1.32 C ATOM 1211 C GLY A 78 -16.624 0.463 -1.720 1.00 42.41 C ATOM 1212 O GLY A 78 -15.892 1.413 -1.982 1.00 42.33 O ATOM 0 H GLY A 78 -15.213 -1.451 -3.137 1.00 13.11 H new ATOM 0 HA2 GLY A 78 -16.992 -0.015 -3.762 1.00 1.32 H new ATOM 0 HA3 GLY A 78 -18.055 -0.825 -2.628 1.00 1.32 H new ATOM 1216 N ASN A 79 -17.078 0.239 -0.518 1.00 4.12 N ATOM 1217 CA ASN A 79 -16.616 1.045 0.595 1.00 10.25 C ATOM 1218 C ASN A 79 -15.746 0.225 1.531 1.00 31.22 C ATOM 1219 O ASN A 79 -14.766 0.744 2.083 1.00 61.13 O ATOM 1220 CB ASN A 79 -17.778 1.777 1.344 1.00 2.44 C ATOM 1221 CG ASN A 79 -18.862 0.871 1.951 1.00 35.33 C ATOM 1222 OD1 ASN A 79 -18.618 -0.262 2.353 1.00 14.54 O ATOM 1223 ND2 ASN A 79 -20.066 1.374 2.011 1.00 51.33 N ATOM 0 H ASN A 79 -17.758 -0.483 -0.278 1.00 4.12 H new ATOM 0 HA ASN A 79 -15.997 1.841 0.180 1.00 10.25 H new ATOM 0 HB2 ASN A 79 -17.346 2.380 2.143 1.00 2.44 H new ATOM 0 HB3 ASN A 79 -18.256 2.466 0.648 1.00 2.44 H new ATOM 0 HD21 ASN A 79 -20.831 0.822 2.399 1.00 51.33 H new ATOM 0 HD22 ASN A 79 -20.242 2.319 1.670 1.00 51.33 H new ATOM 1230 N GLY A 80 -16.066 -1.087 1.610 1.00 62.40 N ATOM 1231 CA GLY A 80 -15.407 -2.046 2.462 1.00 5.43 C ATOM 1232 C GLY A 80 -14.972 -1.485 3.778 1.00 25.20 C ATOM 1233 O GLY A 80 -15.759 -1.285 4.706 1.00 62.51 O ATOM 0 H GLY A 80 -16.817 -1.499 1.056 1.00 62.40 H new ATOM 0 HA2 GLY A 80 -16.081 -2.884 2.640 1.00 5.43 H new ATOM 0 HA3 GLY A 80 -14.536 -2.443 1.941 1.00 5.43 H new ATOM 1237 N SER A 81 -13.722 -1.251 3.835 1.00 22.01 N ATOM 1238 CA SER A 81 -13.042 -0.661 4.937 1.00 64.50 C ATOM 1239 C SER A 81 -11.806 -0.007 4.366 1.00 32.05 C ATOM 1240 O SER A 81 -11.431 1.095 4.753 1.00 64.54 O ATOM 1241 CB SER A 81 -12.639 -1.734 5.964 1.00 33.32 C ATOM 1242 OG SER A 81 -13.765 -2.483 6.413 1.00 32.21 O ATOM 0 H SER A 81 -13.094 -1.479 3.064 1.00 22.01 H new ATOM 0 HA SER A 81 -13.680 0.058 5.451 1.00 64.50 H new ATOM 0 HB2 SER A 81 -11.908 -2.408 5.518 1.00 33.32 H new ATOM 0 HB3 SER A 81 -12.155 -1.258 6.817 1.00 33.32 H new ATOM 0 HG SER A 81 -13.472 -3.156 7.062 1.00 32.21 H new ATOM 1248 N GLY A 82 -11.198 -0.687 3.397 1.00 35.12 N ATOM 1249 CA GLY A 82 -10.001 -0.161 2.801 1.00 12.03 C ATOM 1250 C GLY A 82 -10.275 0.898 1.782 1.00 35.34 C ATOM 1251 O GLY A 82 -9.585 1.917 1.755 1.00 60.23 O ATOM 0 H GLY A 82 -11.515 -1.582 3.023 1.00 35.12 H new ATOM 0 HA2 GLY A 82 -9.363 0.251 3.583 1.00 12.03 H new ATOM 0 HA3 GLY A 82 -9.447 -0.974 2.332 1.00 12.03 H new ATOM 1255 N ASN A 83 -11.282 0.666 0.937 1.00 14.14 N ATOM 1256 CA ASN A 83 -11.721 1.661 -0.055 1.00 62.34 C ATOM 1257 C ASN A 83 -12.009 3.020 0.556 1.00 55.43 C ATOM 1258 O ASN A 83 -11.868 4.037 -0.108 1.00 71.14 O ATOM 1259 CB ASN A 83 -12.939 1.169 -0.825 1.00 74.22 C ATOM 1260 CG ASN A 83 -12.601 0.332 -2.038 1.00 14.23 C ATOM 1261 OD1 ASN A 83 -11.568 -0.316 -2.106 1.00 31.31 O ATOM 1262 ND2 ASN A 83 -13.483 0.333 -2.994 1.00 2.21 N ATOM 0 H ASN A 83 -11.813 -0.205 0.917 1.00 14.14 H new ATOM 0 HA ASN A 83 -10.886 1.786 -0.744 1.00 62.34 H new ATOM 0 HB2 ASN A 83 -13.567 0.582 -0.155 1.00 74.22 H new ATOM 0 HB3 ASN A 83 -13.528 2.030 -1.142 1.00 74.22 H new ATOM 0 HD21 ASN A 83 -13.323 -0.220 -3.836 1.00 2.21 H new ATOM 0 HD22 ASN A 83 -14.335 0.887 -2.902 1.00 2.21 H new ATOM 1269 N ARG A 84 -12.430 3.033 1.805 1.00 22.23 N ATOM 1270 CA ARG A 84 -12.693 4.280 2.500 1.00 73.42 C ATOM 1271 C ARG A 84 -11.554 4.725 3.410 1.00 72.41 C ATOM 1272 O ARG A 84 -11.148 5.873 3.352 1.00 74.22 O ATOM 1273 CB ARG A 84 -14.020 4.240 3.258 1.00 24.13 C ATOM 1274 CG ARG A 84 -15.243 4.255 2.357 1.00 11.32 C ATOM 1275 CD ARG A 84 -15.382 5.592 1.627 1.00 40.03 C ATOM 1276 NE ARG A 84 -16.502 5.584 0.682 1.00 42.12 N ATOM 1277 CZ ARG A 84 -17.611 6.328 0.779 1.00 41.33 C ATOM 1278 NH1 ARG A 84 -17.772 7.186 1.787 1.00 54.13 N ATOM 1279 NH2 ARG A 84 -18.559 6.200 -0.142 1.00 43.11 N ATOM 0 H ARG A 84 -12.598 2.194 2.361 1.00 22.23 H new ATOM 0 HA ARG A 84 -12.770 5.035 1.718 1.00 73.42 H new ATOM 0 HB2 ARG A 84 -14.047 3.343 3.876 1.00 24.13 H new ATOM 0 HB3 ARG A 84 -14.068 5.094 3.933 1.00 24.13 H new ATOM 0 HG2 ARG A 84 -15.170 3.447 1.629 1.00 11.32 H new ATOM 0 HG3 ARG A 84 -16.137 4.069 2.952 1.00 11.32 H new ATOM 0 HD2 ARG A 84 -15.527 6.390 2.355 1.00 40.03 H new ATOM 0 HD3 ARG A 84 -14.458 5.812 1.093 1.00 40.03 H new ATOM 0 HE ARG A 84 -16.431 4.957 -0.119 1.00 42.12 H new ATOM 0 HH11 ARG A 84 -17.045 7.282 2.496 1.00 54.13 H new ATOM 0 HH12 ARG A 84 -18.622 7.747 1.849 1.00 54.13 H new ATOM 0 HH21 ARG A 84 -18.437 5.541 -0.911 1.00 43.11 H new ATOM 0 HH22 ARG A 84 -19.409 6.761 -0.080 1.00 43.11 H new ATOM 1293 N GLN A 85 -11.026 3.838 4.241 1.00 4.25 N ATOM 1294 CA GLN A 85 -10.028 4.282 5.206 1.00 74.23 C ATOM 1295 C GLN A 85 -8.787 3.372 5.309 1.00 33.51 C ATOM 1296 O GLN A 85 -8.373 2.993 6.417 1.00 20.41 O ATOM 1297 CB GLN A 85 -10.678 4.490 6.592 1.00 52.23 C ATOM 1298 CG GLN A 85 -11.342 3.248 7.165 1.00 74.41 C ATOM 1299 CD GLN A 85 -11.965 3.452 8.534 1.00 20.32 C ATOM 1300 OE1 GLN A 85 -12.938 2.801 8.872 1.00 15.25 O ATOM 1301 NE2 GLN A 85 -11.411 4.341 9.332 1.00 21.41 N ATOM 0 H GLN A 85 -11.259 2.845 4.270 1.00 4.25 H new ATOM 0 HA GLN A 85 -9.652 5.233 4.828 1.00 74.23 H new ATOM 0 HB2 GLN A 85 -9.915 4.834 7.290 1.00 52.23 H new ATOM 0 HB3 GLN A 85 -11.422 5.283 6.516 1.00 52.23 H new ATOM 0 HG2 GLN A 85 -12.114 2.910 6.473 1.00 74.41 H new ATOM 0 HG3 GLN A 85 -10.601 2.451 7.230 1.00 74.41 H new ATOM 0 HE21 GLN A 85 -10.597 4.870 9.019 1.00 21.41 H new ATOM 0 HE22 GLN A 85 -11.796 4.501 10.263 1.00 21.41 H new ATOM 1310 N SER A 86 -8.167 3.049 4.210 1.00 43.34 N ATOM 1311 CA SER A 86 -6.928 2.317 4.298 1.00 55.31 C ATOM 1312 C SER A 86 -5.922 2.932 3.406 1.00 14.01 C ATOM 1313 O SER A 86 -6.260 3.690 2.512 1.00 33.24 O ATOM 1314 CB SER A 86 -7.053 0.831 3.940 1.00 14.00 C ATOM 1315 OG SER A 86 -7.258 0.638 2.548 1.00 14.43 O ATOM 0 H SER A 86 -8.484 3.271 3.266 1.00 43.34 H new ATOM 0 HA SER A 86 -6.625 2.370 5.344 1.00 55.31 H new ATOM 0 HB2 SER A 86 -6.150 0.305 4.250 1.00 14.00 H new ATOM 0 HB3 SER A 86 -7.883 0.393 4.494 1.00 14.00 H new ATOM 0 HG SER A 86 -6.952 -0.257 2.293 1.00 14.43 H new ATOM 1321 N ILE A 87 -4.716 2.585 3.637 1.00 35.32 N ATOM 1322 CA ILE A 87 -3.623 3.014 2.830 1.00 2.31 C ATOM 1323 C ILE A 87 -3.271 1.887 1.934 1.00 72.53 C ATOM 1324 O ILE A 87 -3.101 0.767 2.389 1.00 55.23 O ATOM 1325 CB ILE A 87 -2.388 3.384 3.662 1.00 65.44 C ATOM 1326 CG1 ILE A 87 -2.726 4.529 4.597 1.00 52.35 C ATOM 1327 CG2 ILE A 87 -1.244 3.769 2.727 1.00 64.43 C ATOM 1328 CD1 ILE A 87 -1.658 4.865 5.600 1.00 22.13 C ATOM 0 H ILE A 87 -4.445 1.979 4.411 1.00 35.32 H new ATOM 0 HA ILE A 87 -3.923 3.907 2.281 1.00 2.31 H new ATOM 0 HB ILE A 87 -2.077 2.529 4.262 1.00 65.44 H new ATOM 0 HG12 ILE A 87 -2.935 5.417 4.000 1.00 52.35 H new ATOM 0 HG13 ILE A 87 -3.642 4.282 5.133 1.00 52.35 H new ATOM 0 HG21 ILE A 87 -0.366 4.032 3.316 1.00 64.43 H new ATOM 0 HG22 ILE A 87 -1.006 2.927 2.077 1.00 64.43 H new ATOM 0 HG23 ILE A 87 -1.543 4.623 2.119 1.00 64.43 H new ATOM 0 HD11 ILE A 87 -1.992 5.695 6.223 1.00 22.13 H new ATOM 0 HD12 ILE A 87 -1.463 3.996 6.228 1.00 22.13 H new ATOM 0 HD13 ILE A 87 -0.744 5.148 5.077 1.00 22.13 H new ATOM 1340 N SER A 88 -3.181 2.146 0.699 1.00 12.35 N ATOM 1341 CA SER A 88 -2.866 1.130 -0.210 1.00 64.32 C ATOM 1342 C SER A 88 -1.389 1.181 -0.526 1.00 11.03 C ATOM 1343 O SER A 88 -0.890 2.187 -1.053 1.00 65.42 O ATOM 1344 CB SER A 88 -3.674 1.352 -1.437 1.00 42.21 C ATOM 1345 OG SER A 88 -5.026 1.498 -1.093 1.00 2.00 O ATOM 0 H SER A 88 -3.323 3.068 0.286 1.00 12.35 H new ATOM 0 HA SER A 88 -3.091 0.148 0.206 1.00 64.32 H new ATOM 0 HB2 SER A 88 -3.323 2.242 -1.959 1.00 42.21 H new ATOM 0 HB3 SER A 88 -3.552 0.513 -2.121 1.00 42.21 H new ATOM 0 HG SER A 88 -5.255 0.859 -0.386 1.00 2.00 H new ATOM 1351 N VAL A 89 -0.704 0.121 -0.201 1.00 21.15 N ATOM 1352 CA VAL A 89 0.707 0.013 -0.464 1.00 65.00 C ATOM 1353 C VAL A 89 0.917 -1.027 -1.534 1.00 61.22 C ATOM 1354 O VAL A 89 0.454 -2.169 -1.406 1.00 72.43 O ATOM 1355 CB VAL A 89 1.511 -0.358 0.815 1.00 73.21 C ATOM 1356 CG1 VAL A 89 3.005 -0.470 0.515 1.00 51.44 C ATOM 1357 CG2 VAL A 89 1.271 0.676 1.905 1.00 2.24 C ATOM 0 H VAL A 89 -1.108 -0.697 0.256 1.00 21.15 H new ATOM 0 HA VAL A 89 1.075 0.983 -0.799 1.00 65.00 H new ATOM 0 HB VAL A 89 1.162 -1.330 1.163 1.00 73.21 H new ATOM 0 HG11 VAL A 89 3.541 -0.730 1.428 1.00 51.44 H new ATOM 0 HG12 VAL A 89 3.168 -1.244 -0.235 1.00 51.44 H new ATOM 0 HG13 VAL A 89 3.373 0.484 0.138 1.00 51.44 H new ATOM 0 HG21 VAL A 89 1.839 0.405 2.795 1.00 2.24 H new ATOM 0 HG22 VAL A 89 1.593 1.656 1.554 1.00 2.24 H new ATOM 0 HG23 VAL A 89 0.209 0.708 2.148 1.00 2.24 H new ATOM 1367 N GLU A 90 1.563 -0.635 -2.577 1.00 23.42 N ATOM 1368 CA GLU A 90 1.805 -1.496 -3.696 1.00 15.14 C ATOM 1369 C GLU A 90 3.292 -1.856 -3.721 1.00 42.15 C ATOM 1370 O GLU A 90 4.153 -0.958 -3.730 1.00 41.34 O ATOM 1371 CB GLU A 90 1.403 -0.751 -4.976 1.00 43.42 C ATOM 1372 CG GLU A 90 1.418 -1.585 -6.238 1.00 2.53 C ATOM 1373 CD GLU A 90 0.440 -2.736 -6.181 1.00 73.51 C ATOM 1374 OE1 GLU A 90 -0.755 -2.540 -6.514 1.00 3.41 O ATOM 1375 OE2 GLU A 90 0.838 -3.832 -5.801 1.00 74.23 O ATOM 0 H GLU A 90 1.946 0.304 -2.684 1.00 23.42 H new ATOM 0 HA GLU A 90 1.222 -2.414 -3.621 1.00 15.14 H new ATOM 0 HB2 GLU A 90 0.401 -0.344 -4.841 1.00 43.42 H new ATOM 0 HB3 GLU A 90 2.076 0.096 -5.111 1.00 43.42 H new ATOM 0 HG2 GLU A 90 1.179 -0.951 -7.092 1.00 2.53 H new ATOM 0 HG3 GLU A 90 2.423 -1.974 -6.401 1.00 2.53 H new ATOM 1382 N ILE A 91 3.601 -3.138 -3.689 1.00 62.21 N ATOM 1383 CA ILE A 91 4.986 -3.571 -3.729 1.00 33.50 C ATOM 1384 C ILE A 91 5.368 -3.876 -5.160 1.00 13.01 C ATOM 1385 O ILE A 91 4.883 -4.858 -5.747 1.00 72.34 O ATOM 1386 CB ILE A 91 5.256 -4.835 -2.861 1.00 11.23 C ATOM 1387 CG1 ILE A 91 4.846 -4.598 -1.395 1.00 22.03 C ATOM 1388 CG2 ILE A 91 6.735 -5.221 -2.951 1.00 54.45 C ATOM 1389 CD1 ILE A 91 5.087 -5.787 -0.483 1.00 41.23 C ATOM 0 H ILE A 91 2.918 -3.894 -3.636 1.00 62.21 H new ATOM 0 HA ILE A 91 5.586 -2.759 -3.319 1.00 33.50 H new ATOM 0 HB ILE A 91 4.651 -5.655 -3.247 1.00 11.23 H new ATOM 0 HG12 ILE A 91 5.397 -3.740 -1.009 1.00 22.03 H new ATOM 0 HG13 ILE A 91 3.788 -4.338 -1.363 1.00 22.03 H new ATOM 0 HG21 ILE A 91 6.918 -6.106 -2.342 1.00 54.45 H new ATOM 0 HG22 ILE A 91 6.993 -5.435 -3.988 1.00 54.45 H new ATOM 0 HG23 ILE A 91 7.349 -4.397 -2.587 1.00 54.45 H new ATOM 0 HD11 ILE A 91 4.772 -5.538 0.530 1.00 41.23 H new ATOM 0 HD12 ILE A 91 4.514 -6.642 -0.841 1.00 41.23 H new ATOM 0 HD13 ILE A 91 6.148 -6.036 -0.482 1.00 41.23 H new ATOM 1401 N CYS A 92 6.229 -3.060 -5.711 1.00 72.32 N ATOM 1402 CA CYS A 92 6.647 -3.206 -7.077 1.00 23.22 C ATOM 1403 C CYS A 92 7.678 -4.312 -7.217 1.00 63.14 C ATOM 1404 O CYS A 92 8.257 -4.749 -6.237 1.00 70.30 O ATOM 1405 CB CYS A 92 7.180 -1.883 -7.600 1.00 43.13 C ATOM 1406 SG CYS A 92 5.996 -0.527 -7.456 1.00 13.14 S ATOM 0 H CYS A 92 6.660 -2.275 -5.222 1.00 72.32 H new ATOM 0 HA CYS A 92 5.784 -3.491 -7.678 1.00 23.22 H new ATOM 0 HB2 CYS A 92 8.087 -1.623 -7.054 1.00 43.13 H new ATOM 0 HB3 CYS A 92 7.461 -2.001 -8.647 1.00 43.13 H new ATOM 0 HG CYS A 92 6.283 0.190 -6.410 1.00 13.14 H new ATOM 1412 N TYR A 93 7.868 -4.784 -8.446 1.00 42.25 N ATOM 1413 CA TYR A 93 8.819 -5.859 -8.760 1.00 0.43 C ATOM 1414 C TYR A 93 8.473 -7.180 -8.078 1.00 15.42 C ATOM 1415 O TYR A 93 9.298 -8.082 -8.053 1.00 11.53 O ATOM 1416 CB TYR A 93 10.266 -5.477 -8.434 1.00 34.25 C ATOM 1417 CG TYR A 93 10.858 -4.381 -9.285 1.00 43.21 C ATOM 1418 CD1 TYR A 93 11.464 -4.669 -10.501 1.00 62.33 C ATOM 1419 CD2 TYR A 93 10.833 -3.074 -8.867 1.00 23.11 C ATOM 1420 CE1 TYR A 93 12.025 -3.674 -11.269 1.00 61.22 C ATOM 1421 CE2 TYR A 93 11.393 -2.072 -9.632 1.00 60.15 C ATOM 1422 CZ TYR A 93 11.984 -2.375 -10.827 1.00 14.21 C ATOM 1423 OH TYR A 93 12.547 -1.368 -11.581 1.00 21.25 O ATOM 0 H TYR A 93 7.366 -4.432 -9.261 1.00 42.25 H new ATOM 0 HA TYR A 93 8.732 -6.002 -9.837 1.00 0.43 H new ATOM 0 HB2 TYR A 93 10.315 -5.168 -7.390 1.00 34.25 H new ATOM 0 HB3 TYR A 93 10.889 -6.366 -8.533 1.00 34.25 H new ATOM 0 HD1 TYR A 93 11.496 -5.691 -10.850 1.00 62.33 H new ATOM 0 HD2 TYR A 93 10.368 -2.826 -7.924 1.00 23.11 H new ATOM 0 HE1 TYR A 93 12.494 -3.913 -12.212 1.00 61.22 H new ATOM 0 HE2 TYR A 93 11.365 -1.049 -9.287 1.00 60.15 H new ATOM 0 HH TYR A 93 12.428 -0.510 -11.122 1.00 21.25 H new ATOM 1433 N SER A 94 7.251 -7.315 -7.563 1.00 71.30 N ATOM 1434 CA SER A 94 6.842 -8.567 -6.942 1.00 1.40 C ATOM 1435 C SER A 94 6.894 -9.678 -7.967 1.00 41.54 C ATOM 1436 O SER A 94 7.290 -10.816 -7.670 1.00 63.34 O ATOM 1437 CB SER A 94 5.453 -8.458 -6.345 1.00 63.43 C ATOM 1438 OG SER A 94 5.064 -9.683 -5.742 1.00 54.41 O ATOM 0 H SER A 94 6.540 -6.584 -7.564 1.00 71.30 H new ATOM 0 HA SER A 94 7.531 -8.793 -6.128 1.00 1.40 H new ATOM 0 HB2 SER A 94 5.433 -7.660 -5.603 1.00 63.43 H new ATOM 0 HB3 SER A 94 4.739 -8.188 -7.123 1.00 63.43 H new ATOM 0 HG SER A 94 4.328 -10.080 -6.253 1.00 54.41 H new ATOM 1444 N LYS A 95 6.507 -9.334 -9.179 1.00 23.35 N ATOM 1445 CA LYS A 95 6.606 -10.199 -10.295 1.00 51.23 C ATOM 1446 C LYS A 95 8.059 -10.715 -10.511 1.00 74.31 C ATOM 1447 O LYS A 95 8.258 -11.890 -10.835 1.00 42.43 O ATOM 1448 CB LYS A 95 6.062 -9.477 -11.532 1.00 5.01 C ATOM 1449 CG LYS A 95 6.401 -10.154 -12.821 1.00 40.33 C ATOM 1450 CD LYS A 95 5.853 -11.556 -12.864 1.00 11.54 C ATOM 1451 CE LYS A 95 6.680 -12.381 -13.786 1.00 42.31 C ATOM 1452 NZ LYS A 95 6.644 -11.889 -15.183 1.00 63.15 N ATOM 0 H LYS A 95 6.109 -8.421 -9.401 1.00 23.35 H new ATOM 0 HA LYS A 95 6.004 -11.088 -10.108 1.00 51.23 H new ATOM 0 HB2 LYS A 95 4.978 -9.397 -11.448 1.00 5.01 H new ATOM 0 HB3 LYS A 95 6.456 -8.461 -11.551 1.00 5.01 H new ATOM 0 HG2 LYS A 95 5.997 -9.578 -13.654 1.00 40.33 H new ATOM 0 HG3 LYS A 95 7.483 -10.180 -12.947 1.00 40.33 H new ATOM 0 HD2 LYS A 95 5.858 -11.991 -11.865 1.00 11.54 H new ATOM 0 HD3 LYS A 95 4.816 -11.543 -13.200 1.00 11.54 H new ATOM 0 HE2 LYS A 95 7.712 -12.388 -13.434 1.00 42.31 H new ATOM 0 HE3 LYS A 95 6.327 -13.412 -13.759 1.00 42.31 H new ATOM 0 HZ1 LYS A 95 7.077 -12.596 -15.811 1.00 63.15 H new ATOM 0 HZ2 LYS A 95 5.657 -11.730 -15.470 1.00 63.15 H new ATOM 0 HZ3 LYS A 95 7.172 -10.996 -15.250 1.00 63.15 H new ATOM 1466 N SER A 96 9.037 -9.865 -10.289 1.00 52.22 N ATOM 1467 CA SER A 96 10.452 -10.254 -10.479 1.00 51.42 C ATOM 1468 C SER A 96 10.893 -11.322 -9.452 1.00 42.41 C ATOM 1469 O SER A 96 11.824 -12.086 -9.710 1.00 20.11 O ATOM 1470 CB SER A 96 11.350 -9.035 -10.299 1.00 13.11 C ATOM 1471 OG SER A 96 10.952 -7.980 -11.130 1.00 33.44 O ATOM 0 H SER A 96 8.900 -8.903 -9.979 1.00 52.22 H new ATOM 0 HA SER A 96 10.543 -10.664 -11.485 1.00 51.42 H new ATOM 0 HB2 SER A 96 11.322 -8.711 -9.259 1.00 13.11 H new ATOM 0 HB3 SER A 96 12.382 -9.306 -10.521 1.00 13.11 H new ATOM 0 HG SER A 96 11.729 -7.638 -11.619 1.00 33.44 H new ATOM 1477 N GLY A 97 10.197 -11.383 -8.318 1.00 65.42 N ATOM 1478 CA GLY A 97 10.459 -12.390 -7.265 1.00 74.12 C ATOM 1479 C GLY A 97 11.802 -12.265 -6.506 1.00 3.35 C ATOM 1480 O GLY A 97 11.835 -12.376 -5.283 1.00 4.33 O ATOM 0 H GLY A 97 9.436 -10.742 -8.094 1.00 65.42 H new ATOM 0 HA2 GLY A 97 9.650 -12.340 -6.536 1.00 74.12 H new ATOM 0 HA3 GLY A 97 10.416 -13.379 -7.721 1.00 74.12 H new ATOM 1484 N GLY A 98 12.872 -12.038 -7.232 1.00 24.04 N ATOM 1485 CA GLY A 98 14.206 -12.010 -6.687 1.00 34.41 C ATOM 1486 C GLY A 98 14.599 -10.694 -6.050 1.00 14.54 C ATOM 1487 O GLY A 98 13.786 -10.047 -5.394 1.00 53.33 O ATOM 0 H GLY A 98 12.837 -11.865 -8.237 1.00 24.04 H new ATOM 0 HA2 GLY A 98 14.297 -12.801 -5.942 1.00 34.41 H new ATOM 0 HA3 GLY A 98 14.914 -12.239 -7.483 1.00 34.41 H new ATOM 1491 N ASP A 99 15.852 -10.291 -6.288 1.00 12.34 N ATOM 1492 CA ASP A 99 16.504 -9.111 -5.644 1.00 72.11 C ATOM 1493 C ASP A 99 15.652 -7.868 -5.657 1.00 24.54 C ATOM 1494 O ASP A 99 15.639 -7.100 -4.688 1.00 10.13 O ATOM 1495 CB ASP A 99 17.823 -8.775 -6.335 1.00 44.54 C ATOM 1496 CG ASP A 99 18.844 -9.865 -6.256 1.00 21.11 C ATOM 1497 OD1 ASP A 99 18.838 -10.766 -7.128 1.00 15.42 O ATOM 1498 OD2 ASP A 99 19.677 -9.840 -5.327 1.00 72.31 O ATOM 0 H ASP A 99 16.465 -10.775 -6.944 1.00 12.34 H new ATOM 0 HA ASP A 99 16.664 -9.407 -4.607 1.00 72.11 H new ATOM 0 HB2 ASP A 99 17.626 -8.551 -7.383 1.00 44.54 H new ATOM 0 HB3 ASP A 99 18.236 -7.871 -5.888 1.00 44.54 H new ATOM 1503 N ARG A 100 14.948 -7.662 -6.739 1.00 14.14 N ATOM 1504 CA ARG A 100 14.121 -6.491 -6.882 1.00 22.33 C ATOM 1505 C ARG A 100 12.931 -6.575 -5.939 1.00 21.51 C ATOM 1506 O ARG A 100 12.591 -5.613 -5.265 1.00 53.24 O ATOM 1507 CB ARG A 100 13.651 -6.344 -8.316 1.00 5.04 C ATOM 1508 CG ARG A 100 14.772 -6.272 -9.345 1.00 14.12 C ATOM 1509 CD ARG A 100 15.658 -5.075 -9.118 1.00 11.34 C ATOM 1510 NE ARG A 100 16.780 -5.022 -10.048 1.00 55.24 N ATOM 1511 CZ ARG A 100 17.731 -4.075 -10.024 1.00 33.33 C ATOM 1512 NH1 ARG A 100 17.701 -3.123 -9.099 1.00 30.12 N ATOM 1513 NH2 ARG A 100 18.708 -4.081 -10.920 1.00 2.41 N ATOM 0 H ARG A 100 14.931 -8.294 -7.539 1.00 14.14 H new ATOM 0 HA ARG A 100 14.712 -5.612 -6.624 1.00 22.33 H new ATOM 0 HB2 ARG A 100 13.004 -7.186 -8.561 1.00 5.04 H new ATOM 0 HB3 ARG A 100 13.044 -5.442 -8.395 1.00 5.04 H new ATOM 0 HG2 ARG A 100 15.370 -7.182 -9.297 1.00 14.12 H new ATOM 0 HG3 ARG A 100 14.345 -6.224 -10.347 1.00 14.12 H new ATOM 0 HD2 ARG A 100 15.066 -4.165 -9.217 1.00 11.34 H new ATOM 0 HD3 ARG A 100 16.038 -5.098 -8.097 1.00 11.34 H new ATOM 0 HE ARG A 100 16.846 -5.749 -10.760 1.00 55.24 H new ATOM 0 HH11 ARG A 100 16.954 -3.110 -8.404 1.00 30.12 H new ATOM 0 HH12 ARG A 100 18.425 -2.405 -9.083 1.00 30.12 H new ATOM 0 HH21 ARG A 100 18.741 -4.809 -11.634 1.00 2.41 H new ATOM 0 HH22 ARG A 100 19.427 -3.358 -10.895 1.00 2.41 H new ATOM 1527 N TYR A 101 12.329 -7.739 -5.864 1.00 72.11 N ATOM 1528 CA TYR A 101 11.209 -7.931 -4.989 1.00 63.11 C ATOM 1529 C TYR A 101 11.619 -7.893 -3.519 1.00 74.15 C ATOM 1530 O TYR A 101 10.951 -7.237 -2.705 1.00 70.35 O ATOM 1531 CB TYR A 101 10.434 -9.209 -5.302 1.00 20.21 C ATOM 1532 CG TYR A 101 9.448 -9.514 -4.223 1.00 73.43 C ATOM 1533 CD1 TYR A 101 8.410 -8.639 -3.945 1.00 55.55 C ATOM 1534 CD2 TYR A 101 9.590 -10.639 -3.439 1.00 23.13 C ATOM 1535 CE1 TYR A 101 7.552 -8.868 -2.917 1.00 53.01 C ATOM 1536 CE2 TYR A 101 8.720 -10.889 -2.407 1.00 0.43 C ATOM 1537 CZ TYR A 101 7.705 -9.986 -2.149 1.00 13.53 C ATOM 1538 OH TYR A 101 6.850 -10.198 -1.118 1.00 12.33 O ATOM 0 H TYR A 101 12.600 -8.563 -6.400 1.00 72.11 H new ATOM 0 HA TYR A 101 10.538 -7.092 -5.172 1.00 63.11 H new ATOM 0 HB2 TYR A 101 9.915 -9.100 -6.254 1.00 20.21 H new ATOM 0 HB3 TYR A 101 11.128 -10.042 -5.411 1.00 20.21 H new ATOM 0 HD1 TYR A 101 8.281 -7.759 -4.557 1.00 55.55 H new ATOM 0 HD2 TYR A 101 10.395 -11.331 -3.639 1.00 23.13 H new ATOM 0 HE1 TYR A 101 6.754 -8.170 -2.709 1.00 53.01 H new ATOM 0 HE2 TYR A 101 8.827 -11.779 -1.805 1.00 0.43 H new ATOM 0 HH TYR A 101 7.085 -11.035 -0.665 1.00 12.33 H new ATOM 1548 N TYR A 102 12.712 -8.586 -3.182 1.00 3.24 N ATOM 1549 CA TYR A 102 13.202 -8.614 -1.798 1.00 34.15 C ATOM 1550 C TYR A 102 13.377 -7.231 -1.249 1.00 52.23 C ATOM 1551 O TYR A 102 12.976 -6.954 -0.125 1.00 63.22 O ATOM 1552 CB TYR A 102 14.502 -9.397 -1.654 1.00 20.32 C ATOM 1553 CG TYR A 102 14.313 -10.875 -1.753 1.00 34.42 C ATOM 1554 CD1 TYR A 102 14.017 -11.619 -0.632 1.00 62.40 C ATOM 1555 CD2 TYR A 102 14.418 -11.523 -2.952 1.00 53.03 C ATOM 1556 CE1 TYR A 102 13.836 -12.970 -0.712 1.00 60.44 C ATOM 1557 CE2 TYR A 102 14.243 -12.869 -3.057 1.00 50.45 C ATOM 1558 CZ TYR A 102 13.950 -13.597 -1.932 1.00 24.23 C ATOM 1559 OH TYR A 102 13.786 -14.959 -2.020 1.00 4.23 O ATOM 0 H TYR A 102 13.270 -9.130 -3.840 1.00 3.24 H new ATOM 0 HA TYR A 102 12.437 -9.130 -1.218 1.00 34.15 H new ATOM 0 HB2 TYR A 102 15.200 -9.074 -2.426 1.00 20.32 H new ATOM 0 HB3 TYR A 102 14.957 -9.159 -0.693 1.00 20.32 H new ATOM 0 HD1 TYR A 102 13.927 -11.126 0.325 1.00 62.40 H new ATOM 0 HD2 TYR A 102 14.646 -10.952 -3.840 1.00 53.03 H new ATOM 0 HE1 TYR A 102 13.605 -13.542 0.175 1.00 60.44 H new ATOM 0 HE2 TYR A 102 14.334 -13.358 -4.016 1.00 50.45 H new ATOM 0 HH TYR A 102 13.897 -15.242 -2.951 1.00 4.23 H new ATOM 1569 N LYS A 103 13.945 -6.358 -2.049 1.00 35.21 N ATOM 1570 CA LYS A 103 14.125 -4.992 -1.641 1.00 2.02 C ATOM 1571 C LYS A 103 12.834 -4.236 -1.584 1.00 70.13 C ATOM 1572 O LYS A 103 12.589 -3.548 -0.630 1.00 74.21 O ATOM 1573 CB LYS A 103 15.142 -4.270 -2.497 1.00 12.55 C ATOM 1574 CG LYS A 103 16.570 -4.722 -2.269 1.00 31.03 C ATOM 1575 CD LYS A 103 16.952 -4.512 -0.815 1.00 31.41 C ATOM 1576 CE LYS A 103 18.377 -4.908 -0.529 1.00 41.44 C ATOM 1577 NZ LYS A 103 18.708 -4.720 0.897 1.00 4.51 N ATOM 0 H LYS A 103 14.289 -6.573 -2.985 1.00 35.21 H new ATOM 0 HA LYS A 103 14.519 -5.032 -0.626 1.00 2.02 H new ATOM 0 HB2 LYS A 103 14.888 -4.417 -3.547 1.00 12.55 H new ATOM 0 HB3 LYS A 103 15.074 -3.200 -2.300 1.00 12.55 H new ATOM 0 HG2 LYS A 103 16.674 -5.774 -2.533 1.00 31.03 H new ATOM 0 HG3 LYS A 103 17.246 -4.163 -2.916 1.00 31.03 H new ATOM 0 HD2 LYS A 103 16.810 -3.463 -0.554 1.00 31.41 H new ATOM 0 HD3 LYS A 103 16.283 -5.092 -0.180 1.00 31.41 H new ATOM 0 HE2 LYS A 103 18.530 -5.951 -0.806 1.00 41.44 H new ATOM 0 HE3 LYS A 103 19.053 -4.313 -1.143 1.00 41.44 H new ATOM 0 HZ1 LYS A 103 19.695 -5.001 1.064 1.00 4.51 H new ATOM 0 HZ2 LYS A 103 18.584 -3.720 1.153 1.00 4.51 H new ATOM 0 HZ3 LYS A 103 18.078 -5.307 1.480 1.00 4.51 H new ATOM 1591 N ALA A 104 12.005 -4.394 -2.586 1.00 63.34 N ATOM 1592 CA ALA A 104 10.736 -3.675 -2.651 1.00 51.02 C ATOM 1593 C ALA A 104 9.874 -3.944 -1.414 1.00 24.43 C ATOM 1594 O ALA A 104 9.399 -3.009 -0.766 1.00 61.21 O ATOM 1595 CB ALA A 104 9.999 -4.041 -3.905 1.00 1.52 C ATOM 0 H ALA A 104 12.178 -5.015 -3.376 1.00 63.34 H new ATOM 0 HA ALA A 104 10.953 -2.607 -2.670 1.00 51.02 H new ATOM 0 HB1 ALA A 104 9.054 -3.499 -3.943 1.00 1.52 H new ATOM 0 HB2 ALA A 104 10.604 -3.777 -4.773 1.00 1.52 H new ATOM 0 HB3 ALA A 104 9.803 -5.113 -3.912 1.00 1.52 H new ATOM 1601 N GLU A 105 9.703 -5.213 -1.077 1.00 73.24 N ATOM 1602 CA GLU A 105 8.953 -5.599 0.109 1.00 12.22 C ATOM 1603 C GLU A 105 9.624 -5.077 1.380 1.00 1.34 C ATOM 1604 O GLU A 105 8.964 -4.563 2.287 1.00 1.32 O ATOM 1605 CB GLU A 105 8.731 -7.136 0.100 1.00 23.11 C ATOM 1606 CG GLU A 105 8.171 -7.766 1.376 1.00 51.12 C ATOM 1607 CD GLU A 105 9.256 -8.179 2.360 1.00 30.42 C ATOM 1608 OE1 GLU A 105 9.851 -9.272 2.171 1.00 45.41 O ATOM 1609 OE2 GLU A 105 9.542 -7.439 3.308 1.00 1.21 O ATOM 0 H GLU A 105 10.076 -5.998 -1.612 1.00 73.24 H new ATOM 0 HA GLU A 105 7.967 -5.134 0.096 1.00 12.22 H new ATOM 0 HB2 GLU A 105 8.055 -7.375 -0.721 1.00 23.11 H new ATOM 0 HB3 GLU A 105 9.685 -7.614 -0.123 1.00 23.11 H new ATOM 0 HG2 GLU A 105 7.499 -7.057 1.860 1.00 51.12 H new ATOM 0 HG3 GLU A 105 7.575 -8.640 1.112 1.00 51.12 H new ATOM 1616 N ASP A 106 10.927 -5.136 1.395 1.00 54.21 N ATOM 1617 CA ASP A 106 11.718 -4.724 2.547 1.00 43.25 C ATOM 1618 C ASP A 106 11.694 -3.204 2.695 1.00 31.04 C ATOM 1619 O ASP A 106 11.881 -2.668 3.777 1.00 22.22 O ATOM 1620 CB ASP A 106 13.142 -5.219 2.366 1.00 74.32 C ATOM 1621 CG ASP A 106 13.986 -5.095 3.590 1.00 54.30 C ATOM 1622 OD1 ASP A 106 13.854 -5.961 4.482 1.00 24.51 O ATOM 1623 OD2 ASP A 106 14.817 -4.158 3.665 1.00 72.13 O ATOM 0 H ASP A 106 11.484 -5.472 0.609 1.00 54.21 H new ATOM 0 HA ASP A 106 11.295 -5.155 3.454 1.00 43.25 H new ATOM 0 HB2 ASP A 106 13.116 -6.265 2.059 1.00 74.32 H new ATOM 0 HB3 ASP A 106 13.610 -4.660 1.556 1.00 74.32 H new ATOM 1628 N ASN A 107 11.455 -2.518 1.608 1.00 74.04 N ATOM 1629 CA ASN A 107 11.367 -1.076 1.640 1.00 25.43 C ATOM 1630 C ASN A 107 9.994 -0.658 2.086 1.00 2.11 C ATOM 1631 O ASN A 107 9.813 0.427 2.661 1.00 20.30 O ATOM 1632 CB ASN A 107 11.690 -0.447 0.281 1.00 53.41 C ATOM 1633 CG ASN A 107 13.132 -0.645 -0.183 1.00 23.11 C ATOM 1634 OD1 ASN A 107 14.061 -0.757 0.627 1.00 23.43 O ATOM 1635 ND2 ASN A 107 13.334 -0.679 -1.487 1.00 70.15 N ATOM 0 H ASN A 107 11.317 -2.933 0.686 1.00 74.04 H new ATOM 0 HA ASN A 107 12.112 -0.717 2.351 1.00 25.43 H new ATOM 0 HB2 ASN A 107 11.020 -0.868 -0.468 1.00 53.41 H new ATOM 0 HB3 ASN A 107 11.481 0.622 0.331 1.00 53.41 H new ATOM 0 HD21 ASN A 107 14.278 -0.801 -1.854 1.00 70.15 H new ATOM 0 HD22 ASN A 107 12.546 -0.584 -2.128 1.00 70.15 H new ATOM 1642 N ALA A 108 9.016 -1.527 1.844 1.00 73.34 N ATOM 1643 CA ALA A 108 7.662 -1.259 2.228 1.00 53.04 C ATOM 1644 C ALA A 108 7.529 -1.223 3.733 1.00 24.55 C ATOM 1645 O ALA A 108 6.867 -0.353 4.261 1.00 74.15 O ATOM 1646 CB ALA A 108 6.711 -2.279 1.624 1.00 32.25 C ATOM 0 H ALA A 108 9.153 -2.425 1.380 1.00 73.34 H new ATOM 0 HA ALA A 108 7.390 -0.278 1.839 1.00 53.04 H new ATOM 0 HB1 ALA A 108 5.690 -2.052 1.932 1.00 32.25 H new ATOM 0 HB2 ALA A 108 6.779 -2.241 0.537 1.00 32.25 H new ATOM 0 HB3 ALA A 108 6.980 -3.277 1.970 1.00 32.25 H new ATOM 1652 N VAL A 109 8.223 -2.141 4.429 1.00 63.31 N ATOM 1653 CA VAL A 109 8.143 -2.239 5.904 1.00 4.12 C ATOM 1654 C VAL A 109 8.484 -0.898 6.564 1.00 72.21 C ATOM 1655 O VAL A 109 7.890 -0.493 7.566 1.00 2.40 O ATOM 1656 CB VAL A 109 9.082 -3.359 6.478 1.00 64.12 C ATOM 1657 CG1 VAL A 109 8.839 -4.679 5.814 1.00 41.12 C ATOM 1658 CG2 VAL A 109 10.556 -2.999 6.441 1.00 15.31 C ATOM 0 H VAL A 109 8.845 -2.825 3.999 1.00 63.31 H new ATOM 0 HA VAL A 109 7.113 -2.507 6.140 1.00 4.12 H new ATOM 0 HB VAL A 109 8.815 -3.446 7.531 1.00 64.12 H new ATOM 0 HG11 VAL A 109 9.508 -5.428 6.238 1.00 41.12 H new ATOM 0 HG12 VAL A 109 7.805 -4.983 5.976 1.00 41.12 H new ATOM 0 HG13 VAL A 109 9.028 -4.588 4.744 1.00 41.12 H new ATOM 0 HG21 VAL A 109 11.142 -3.821 6.854 1.00 15.31 H new ATOM 0 HG22 VAL A 109 10.861 -2.818 5.410 1.00 15.31 H new ATOM 0 HG23 VAL A 109 10.726 -2.099 7.033 1.00 15.31 H new ATOM 1668 N ASP A 110 9.416 -0.237 5.962 1.00 0.13 N ATOM 1669 CA ASP A 110 9.941 1.029 6.394 1.00 23.43 C ATOM 1670 C ASP A 110 8.943 2.151 6.200 1.00 63.04 C ATOM 1671 O ASP A 110 8.794 3.003 7.056 1.00 15.03 O ATOM 1672 CB ASP A 110 11.219 1.281 5.638 1.00 74.04 C ATOM 1673 CG ASP A 110 11.890 2.581 5.972 1.00 4.41 C ATOM 1674 OD1 ASP A 110 12.515 2.691 7.040 1.00 61.22 O ATOM 1675 OD2 ASP A 110 11.816 3.511 5.167 1.00 20.24 O ATOM 0 H ASP A 110 9.860 -0.578 5.109 1.00 0.13 H new ATOM 0 HA ASP A 110 10.143 0.998 7.465 1.00 23.43 H new ATOM 0 HB2 ASP A 110 11.913 0.465 5.840 1.00 74.04 H new ATOM 0 HB3 ASP A 110 11.005 1.260 4.569 1.00 74.04 H new ATOM 1680 N VAL A 111 8.245 2.129 5.090 1.00 11.53 N ATOM 1681 CA VAL A 111 7.251 3.155 4.807 1.00 31.31 C ATOM 1682 C VAL A 111 5.977 2.879 5.599 1.00 74.22 C ATOM 1683 O VAL A 111 5.325 3.801 6.110 1.00 44.12 O ATOM 1684 CB VAL A 111 6.909 3.227 3.289 1.00 31.23 C ATOM 1685 CG1 VAL A 111 5.883 4.320 3.000 1.00 11.22 C ATOM 1686 CG2 VAL A 111 8.161 3.451 2.468 1.00 43.32 C ATOM 0 H VAL A 111 8.341 1.417 4.366 1.00 11.53 H new ATOM 0 HA VAL A 111 7.676 4.113 5.105 1.00 31.31 H new ATOM 0 HB VAL A 111 6.471 2.270 3.005 1.00 31.23 H new ATOM 0 HG11 VAL A 111 5.667 4.343 1.932 1.00 11.22 H new ATOM 0 HG12 VAL A 111 4.966 4.113 3.551 1.00 11.22 H new ATOM 0 HG13 VAL A 111 6.283 5.285 3.310 1.00 11.22 H new ATOM 0 HG21 VAL A 111 7.899 3.498 1.411 1.00 43.32 H new ATOM 0 HG22 VAL A 111 8.630 4.388 2.768 1.00 43.32 H new ATOM 0 HG23 VAL A 111 8.857 2.628 2.633 1.00 43.32 H new ATOM 1696 N VAL A 112 5.651 1.603 5.741 1.00 74.13 N ATOM 1697 CA VAL A 112 4.417 1.208 6.413 1.00 43.10 C ATOM 1698 C VAL A 112 4.461 1.577 7.891 1.00 10.23 C ATOM 1699 O VAL A 112 3.469 2.061 8.445 1.00 51.24 O ATOM 1700 CB VAL A 112 4.068 -0.309 6.228 1.00 11.33 C ATOM 1701 CG1 VAL A 112 2.778 -0.661 6.949 1.00 71.12 C ATOM 1702 CG2 VAL A 112 3.913 -0.654 4.763 1.00 43.14 C ATOM 0 H VAL A 112 6.218 0.826 5.403 1.00 74.13 H new ATOM 0 HA VAL A 112 3.615 1.768 5.931 1.00 43.10 H new ATOM 0 HB VAL A 112 4.892 -0.883 6.652 1.00 11.33 H new ATOM 0 HG11 VAL A 112 2.558 -1.719 6.805 1.00 71.12 H new ATOM 0 HG12 VAL A 112 2.888 -0.455 8.014 1.00 71.12 H new ATOM 0 HG13 VAL A 112 1.961 -0.062 6.546 1.00 71.12 H new ATOM 0 HG21 VAL A 112 3.671 -1.712 4.662 1.00 43.14 H new ATOM 0 HG22 VAL A 112 3.111 -0.056 4.331 1.00 43.14 H new ATOM 0 HG23 VAL A 112 4.845 -0.443 4.239 1.00 43.14 H new ATOM 1712 N ARG A 113 5.621 1.395 8.520 1.00 31.53 N ATOM 1713 CA ARG A 113 5.762 1.733 9.936 1.00 60.23 C ATOM 1714 C ARG A 113 5.505 3.227 10.178 1.00 55.43 C ATOM 1715 O ARG A 113 4.880 3.603 11.169 1.00 21.13 O ATOM 1716 CB ARG A 113 7.125 1.314 10.488 1.00 61.00 C ATOM 1717 CG ARG A 113 8.304 2.046 9.901 1.00 24.42 C ATOM 1718 CD ARG A 113 9.591 1.553 10.496 1.00 32.43 C ATOM 1719 NE ARG A 113 10.757 2.222 9.918 1.00 31.14 N ATOM 1720 CZ ARG A 113 11.975 2.259 10.471 1.00 61.12 C ATOM 1721 NH1 ARG A 113 12.210 1.659 11.648 1.00 14.24 N ATOM 1722 NH2 ARG A 113 12.957 2.871 9.833 1.00 71.52 N ATOM 0 H ARG A 113 6.463 1.022 8.082 1.00 31.53 H new ATOM 0 HA ARG A 113 5.004 1.168 10.479 1.00 60.23 H new ATOM 0 HB2 ARG A 113 7.124 1.464 11.568 1.00 61.00 H new ATOM 0 HB3 ARG A 113 7.257 0.246 10.315 1.00 61.00 H new ATOM 0 HG2 ARG A 113 8.322 1.907 8.820 1.00 24.42 H new ATOM 0 HG3 ARG A 113 8.201 3.116 10.083 1.00 24.42 H new ATOM 0 HD2 ARG A 113 9.577 1.716 11.574 1.00 32.43 H new ATOM 0 HD3 ARG A 113 9.675 0.478 10.337 1.00 32.43 H new ATOM 0 HE ARG A 113 10.632 2.697 9.024 1.00 31.14 H new ATOM 0 HH11 ARG A 113 11.457 1.169 12.130 1.00 14.24 H new ATOM 0 HH12 ARG A 113 13.142 1.693 12.061 1.00 14.24 H new ATOM 0 HH21 ARG A 113 12.783 3.309 8.929 1.00 71.52 H new ATOM 0 HH22 ARG A 113 13.889 2.905 10.245 1.00 71.52 H new ATOM 1736 N GLN A 114 5.961 4.067 9.246 1.00 12.33 N ATOM 1737 CA GLN A 114 5.752 5.503 9.327 1.00 35.45 C ATOM 1738 C GLN A 114 4.265 5.822 9.312 1.00 45.21 C ATOM 1739 O GLN A 114 3.787 6.664 10.067 1.00 23.03 O ATOM 1740 CB GLN A 114 6.416 6.176 8.154 1.00 45.34 C ATOM 1741 CG GLN A 114 7.899 5.902 8.048 1.00 21.42 C ATOM 1742 CD GLN A 114 8.512 6.541 6.833 1.00 72.12 C ATOM 1743 OE1 GLN A 114 9.478 6.039 6.273 1.00 71.31 O ATOM 1744 NE2 GLN A 114 7.977 7.654 6.425 1.00 45.50 N ATOM 0 H GLN A 114 6.481 3.767 8.421 1.00 12.33 H new ATOM 0 HA GLN A 114 6.186 5.869 10.258 1.00 35.45 H new ATOM 0 HB2 GLN A 114 5.929 5.847 7.236 1.00 45.34 H new ATOM 0 HB3 GLN A 114 6.260 7.252 8.229 1.00 45.34 H new ATOM 0 HG2 GLN A 114 8.400 6.273 8.942 1.00 21.42 H new ATOM 0 HG3 GLN A 114 8.066 4.825 8.013 1.00 21.42 H new ATOM 0 HE21 GLN A 114 7.172 8.043 6.916 1.00 45.50 H new ATOM 0 HE22 GLN A 114 8.362 8.138 5.614 1.00 45.50 H new ATOM 1753 N LEU A 115 3.541 5.118 8.469 1.00 23.35 N ATOM 1754 CA LEU A 115 2.118 5.290 8.310 1.00 2.44 C ATOM 1755 C LEU A 115 1.405 4.910 9.587 1.00 74.54 C ATOM 1756 O LEU A 115 0.454 5.562 9.993 1.00 32.42 O ATOM 1757 CB LEU A 115 1.628 4.418 7.164 1.00 25.10 C ATOM 1758 CG LEU A 115 2.233 4.704 5.793 1.00 42.12 C ATOM 1759 CD1 LEU A 115 1.740 3.708 4.777 1.00 53.03 C ATOM 1760 CD2 LEU A 115 1.931 6.124 5.359 1.00 20.10 C ATOM 0 H LEU A 115 3.935 4.397 7.865 1.00 23.35 H new ATOM 0 HA LEU A 115 1.905 6.335 8.086 1.00 2.44 H new ATOM 0 HB2 LEU A 115 1.828 3.377 7.416 1.00 25.10 H new ATOM 0 HB3 LEU A 115 0.546 4.526 7.090 1.00 25.10 H new ATOM 0 HG LEU A 115 3.316 4.601 5.866 1.00 42.12 H new ATOM 0 HD11 LEU A 115 2.183 3.929 3.806 1.00 53.03 H new ATOM 0 HD12 LEU A 115 2.025 2.702 5.085 1.00 53.03 H new ATOM 0 HD13 LEU A 115 0.654 3.771 4.703 1.00 53.03 H new ATOM 0 HD21 LEU A 115 2.372 6.306 4.379 1.00 20.10 H new ATOM 0 HD22 LEU A 115 0.852 6.266 5.304 1.00 20.10 H new ATOM 0 HD23 LEU A 115 2.352 6.823 6.082 1.00 20.10 H new ATOM 1772 N MET A 116 1.896 3.876 10.225 1.00 53.24 N ATOM 1773 CA MET A 116 1.329 3.401 11.466 1.00 2.34 C ATOM 1774 C MET A 116 1.562 4.403 12.577 1.00 62.31 C ATOM 1775 O MET A 116 0.673 4.655 13.385 1.00 15.40 O ATOM 1776 CB MET A 116 1.863 2.016 11.873 1.00 44.20 C ATOM 1777 CG MET A 116 1.600 0.903 10.861 1.00 40.31 C ATOM 1778 SD MET A 116 1.862 -0.761 11.541 1.00 3.24 S ATOM 1779 CE MET A 116 3.525 -0.642 12.189 1.00 62.44 C ATOM 0 H MET A 116 2.700 3.339 9.900 1.00 53.24 H new ATOM 0 HA MET A 116 0.257 3.292 11.299 1.00 2.34 H new ATOM 0 HB2 MET A 116 2.938 2.091 12.038 1.00 44.20 H new ATOM 0 HB3 MET A 116 1.414 1.735 12.825 1.00 44.20 H new ATOM 0 HG2 MET A 116 0.574 0.984 10.501 1.00 40.31 H new ATOM 0 HG3 MET A 116 2.253 1.043 9.999 1.00 40.31 H new ATOM 0 HE1 MET A 116 3.778 -1.564 12.712 1.00 62.44 H new ATOM 0 HE2 MET A 116 4.225 -0.486 11.368 1.00 62.44 H new ATOM 0 HE3 MET A 116 3.586 0.197 12.882 1.00 62.44 H new ATOM 1789 N SER A 117 2.742 4.984 12.600 1.00 15.43 N ATOM 1790 CA SER A 117 3.085 5.975 13.596 1.00 13.25 C ATOM 1791 C SER A 117 2.305 7.287 13.370 1.00 30.22 C ATOM 1792 O SER A 117 1.782 7.881 14.313 1.00 43.01 O ATOM 1793 CB SER A 117 4.591 6.238 13.554 1.00 55.25 C ATOM 1794 OG SER A 117 5.320 5.027 13.713 1.00 74.45 O ATOM 0 H SER A 117 3.487 4.784 11.933 1.00 15.43 H new ATOM 0 HA SER A 117 2.809 5.591 14.578 1.00 13.25 H new ATOM 0 HB2 SER A 117 4.857 6.706 12.606 1.00 55.25 H new ATOM 0 HB3 SER A 117 4.864 6.939 14.343 1.00 55.25 H new ATOM 0 HG SER A 117 5.215 4.474 12.911 1.00 74.45 H new ATOM 1800 N MET A 118 2.207 7.714 12.115 1.00 13.12 N ATOM 1801 CA MET A 118 1.551 8.978 11.782 1.00 43.41 C ATOM 1802 C MET A 118 0.033 8.871 11.779 1.00 51.33 C ATOM 1803 O MET A 118 -0.656 9.761 12.271 1.00 52.42 O ATOM 1804 CB MET A 118 2.023 9.519 10.421 1.00 61.41 C ATOM 1805 CG MET A 118 3.504 9.858 10.344 1.00 72.11 C ATOM 1806 SD MET A 118 3.988 10.550 8.737 1.00 11.02 S ATOM 1807 CE MET A 118 3.541 9.216 7.617 1.00 25.03 C ATOM 0 H MET A 118 2.573 7.205 11.310 1.00 13.12 H new ATOM 0 HA MET A 118 1.840 9.674 12.569 1.00 43.41 H new ATOM 0 HB2 MET A 118 1.794 8.779 9.654 1.00 61.41 H new ATOM 0 HB3 MET A 118 1.448 10.414 10.183 1.00 61.41 H new ATOM 0 HG2 MET A 118 3.749 10.572 11.130 1.00 72.11 H new ATOM 0 HG3 MET A 118 4.088 8.958 10.537 1.00 72.11 H new ATOM 0 HE1 MET A 118 4.299 9.124 6.839 1.00 25.03 H new ATOM 0 HE2 MET A 118 3.476 8.281 8.173 1.00 25.03 H new ATOM 0 HE3 MET A 118 2.576 9.433 7.159 1.00 25.03 H new ATOM 1817 N TYR A 119 -0.490 7.802 11.223 1.00 61.32 N ATOM 1818 CA TYR A 119 -1.940 7.671 11.100 1.00 0.33 C ATOM 1819 C TYR A 119 -2.552 6.772 12.144 1.00 52.52 C ATOM 1820 O TYR A 119 -3.769 6.488 12.096 1.00 33.25 O ATOM 1821 CB TYR A 119 -2.339 7.261 9.688 1.00 23.34 C ATOM 1822 CG TYR A 119 -1.997 8.330 8.679 1.00 31.40 C ATOM 1823 CD1 TYR A 119 -2.882 9.367 8.435 1.00 33.44 C ATOM 1824 CD2 TYR A 119 -0.791 8.320 7.994 1.00 35.53 C ATOM 1825 CE1 TYR A 119 -2.579 10.366 7.542 1.00 22.23 C ATOM 1826 CE2 TYR A 119 -0.481 9.317 7.091 1.00 3.34 C ATOM 1827 CZ TYR A 119 -1.378 10.339 6.871 1.00 11.43 C ATOM 1828 OH TYR A 119 -1.071 11.342 5.987 1.00 51.02 O ATOM 0 H TYR A 119 0.048 7.019 10.852 1.00 61.32 H new ATOM 0 HA TYR A 119 -2.354 8.661 11.292 1.00 0.33 H new ATOM 0 HB2 TYR A 119 -1.832 6.333 9.421 1.00 23.34 H new ATOM 0 HB3 TYR A 119 -3.410 7.060 9.656 1.00 23.34 H new ATOM 0 HD1 TYR A 119 -3.828 9.391 8.956 1.00 33.44 H new ATOM 0 HD2 TYR A 119 -0.085 7.522 8.169 1.00 35.53 H new ATOM 0 HE1 TYR A 119 -3.280 11.169 7.367 1.00 22.23 H new ATOM 0 HE2 TYR A 119 0.459 9.296 6.560 1.00 3.34 H new ATOM 0 HH TYR A 119 -0.187 11.176 5.598 1.00 51.02 H new ATOM 1838 N ASN A 120 -1.722 6.333 13.089 1.00 52.44 N ATOM 1839 CA ASN A 120 -2.169 5.533 14.234 1.00 75.11 C ATOM 1840 C ASN A 120 -2.838 4.281 13.784 1.00 53.13 C ATOM 1841 O ASN A 120 -4.024 4.046 14.041 1.00 74.03 O ATOM 1842 CB ASN A 120 -3.077 6.316 15.194 1.00 31.43 C ATOM 1843 CG ASN A 120 -2.374 7.450 15.893 1.00 40.44 C ATOM 1844 OD1 ASN A 120 -1.811 7.269 16.966 1.00 1.01 O ATOM 1845 ND2 ASN A 120 -2.405 8.624 15.308 1.00 62.43 N ATOM 0 H ASN A 120 -0.719 6.521 13.085 1.00 52.44 H new ATOM 0 HA ASN A 120 -1.271 5.271 14.793 1.00 75.11 H new ATOM 0 HB2 ASN A 120 -3.925 6.713 14.637 1.00 31.43 H new ATOM 0 HB3 ASN A 120 -3.479 5.632 15.941 1.00 31.43 H new ATOM 0 HD21 ASN A 120 -1.950 9.425 15.747 1.00 62.43 H new ATOM 0 HD22 ASN A 120 -2.884 8.736 14.414 1.00 62.43 H new ATOM 1852 N ILE A 121 -2.111 3.515 13.073 1.00 1.34 N ATOM 1853 CA ILE A 121 -2.599 2.292 12.557 1.00 40.32 C ATOM 1854 C ILE A 121 -1.851 1.168 13.230 1.00 41.42 C ATOM 1855 O ILE A 121 -0.637 1.145 13.210 1.00 12.24 O ATOM 1856 CB ILE A 121 -2.388 2.229 11.023 1.00 64.45 C ATOM 1857 CG1 ILE A 121 -3.108 3.417 10.350 1.00 45.51 C ATOM 1858 CG2 ILE A 121 -2.891 0.901 10.470 1.00 32.32 C ATOM 1859 CD1 ILE A 121 -2.897 3.521 8.859 1.00 52.24 C ATOM 0 H ILE A 121 -1.143 3.719 12.826 1.00 1.34 H new ATOM 0 HA ILE A 121 -3.668 2.206 12.753 1.00 40.32 H new ATOM 0 HB ILE A 121 -1.322 2.299 10.805 1.00 64.45 H new ATOM 0 HG12 ILE A 121 -4.177 3.335 10.547 1.00 45.51 H new ATOM 0 HG13 ILE A 121 -2.768 4.342 10.817 1.00 45.51 H new ATOM 0 HG21 ILE A 121 -2.735 0.874 9.392 1.00 32.32 H new ATOM 0 HG22 ILE A 121 -2.344 0.082 10.937 1.00 32.32 H new ATOM 0 HG23 ILE A 121 -3.954 0.796 10.686 1.00 32.32 H new ATOM 0 HD11 ILE A 121 -3.440 4.384 8.474 1.00 52.24 H new ATOM 0 HD12 ILE A 121 -1.834 3.638 8.649 1.00 52.24 H new ATOM 0 HD13 ILE A 121 -3.265 2.616 8.376 1.00 52.24 H new ATOM 1871 N PRO A 122 -2.544 0.274 13.903 1.00 30.14 N ATOM 1872 CA PRO A 122 -1.906 -0.873 14.493 1.00 42.23 C ATOM 1873 C PRO A 122 -1.518 -1.888 13.420 1.00 75.12 C ATOM 1874 O PRO A 122 -2.152 -1.957 12.354 1.00 44.05 O ATOM 1875 CB PRO A 122 -2.956 -1.440 15.440 1.00 41.51 C ATOM 1876 CG PRO A 122 -4.265 -0.953 14.920 1.00 74.23 C ATOM 1877 CD PRO A 122 -3.993 0.322 14.170 1.00 15.23 C ATOM 0 HA PRO A 122 -0.980 -0.620 15.010 1.00 42.23 H new ATOM 0 HB2 PRO A 122 -2.921 -2.529 15.458 1.00 41.51 H new ATOM 0 HB3 PRO A 122 -2.788 -1.099 16.462 1.00 41.51 H new ATOM 0 HG2 PRO A 122 -4.720 -1.696 14.265 1.00 74.23 H new ATOM 0 HG3 PRO A 122 -4.964 -0.778 15.738 1.00 74.23 H new ATOM 0 HD2 PRO A 122 -4.568 0.372 13.245 1.00 15.23 H new ATOM 0 HD3 PRO A 122 -4.262 1.198 14.760 1.00 15.23 H new ATOM 1885 N ILE A 123 -0.496 -2.670 13.706 1.00 43.03 N ATOM 1886 CA ILE A 123 0.058 -3.652 12.779 1.00 12.42 C ATOM 1887 C ILE A 123 -1.014 -4.656 12.300 1.00 0.32 C ATOM 1888 O ILE A 123 -0.945 -5.175 11.188 1.00 4.25 O ATOM 1889 CB ILE A 123 1.275 -4.404 13.429 1.00 23.14 C ATOM 1890 CG1 ILE A 123 1.949 -5.365 12.440 1.00 21.14 C ATOM 1891 CG2 ILE A 123 0.862 -5.145 14.700 1.00 60.04 C ATOM 1892 CD1 ILE A 123 2.564 -4.683 11.233 1.00 24.41 C ATOM 0 H ILE A 123 -0.014 -2.645 14.605 1.00 43.03 H new ATOM 0 HA ILE A 123 0.413 -3.111 11.902 1.00 12.42 H new ATOM 0 HB ILE A 123 2.005 -3.642 13.702 1.00 23.14 H new ATOM 0 HG12 ILE A 123 2.726 -5.922 12.964 1.00 21.14 H new ATOM 0 HG13 ILE A 123 1.212 -6.091 12.097 1.00 21.14 H new ATOM 0 HG21 ILE A 123 1.729 -5.654 15.123 1.00 60.04 H new ATOM 0 HG22 ILE A 123 0.470 -4.432 15.426 1.00 60.04 H new ATOM 0 HG23 ILE A 123 0.092 -5.878 14.460 1.00 60.04 H new ATOM 0 HD11 ILE A 123 3.019 -5.432 10.585 1.00 24.41 H new ATOM 0 HD12 ILE A 123 1.789 -4.149 10.683 1.00 24.41 H new ATOM 0 HD13 ILE A 123 3.326 -3.977 11.563 1.00 24.41 H new ATOM 1904 N GLU A 124 -2.023 -4.886 13.127 1.00 15.54 N ATOM 1905 CA GLU A 124 -3.087 -5.815 12.789 1.00 42.31 C ATOM 1906 C GLU A 124 -4.090 -5.200 11.828 1.00 61.14 C ATOM 1907 O GLU A 124 -4.977 -5.867 11.341 1.00 45.33 O ATOM 1908 CB GLU A 124 -3.786 -6.308 14.027 1.00 42.40 C ATOM 1909 CG GLU A 124 -2.865 -6.997 14.998 1.00 15.41 C ATOM 1910 CD GLU A 124 -3.606 -7.537 16.164 1.00 44.42 C ATOM 1911 OE1 GLU A 124 -3.897 -6.765 17.099 1.00 1.13 O ATOM 1912 OE2 GLU A 124 -3.916 -8.742 16.170 1.00 64.55 O ATOM 0 H GLU A 124 -2.126 -4.440 14.039 1.00 15.54 H new ATOM 0 HA GLU A 124 -2.622 -6.664 12.288 1.00 42.31 H new ATOM 0 HB2 GLU A 124 -4.263 -5.465 14.526 1.00 42.40 H new ATOM 0 HB3 GLU A 124 -4.579 -6.998 13.738 1.00 42.40 H new ATOM 0 HG2 GLU A 124 -2.342 -7.808 14.491 1.00 15.41 H new ATOM 0 HG3 GLU A 124 -2.106 -6.294 15.342 1.00 15.41 H new ATOM 1919 N ASN A 125 -3.947 -3.933 11.558 1.00 14.11 N ATOM 1920 CA ASN A 125 -4.810 -3.275 10.605 1.00 54.14 C ATOM 1921 C ASN A 125 -4.228 -3.326 9.225 1.00 34.32 C ATOM 1922 O ASN A 125 -4.812 -2.813 8.268 1.00 34.12 O ATOM 1923 CB ASN A 125 -5.154 -1.857 11.012 1.00 15.34 C ATOM 1924 CG ASN A 125 -6.225 -1.784 12.072 1.00 25.30 C ATOM 1925 OD1 ASN A 125 -6.381 -2.683 12.904 1.00 72.14 O ATOM 1926 ND2 ASN A 125 -6.962 -0.707 12.058 1.00 14.20 N ATOM 0 H ASN A 125 -3.242 -3.331 11.982 1.00 14.11 H new ATOM 0 HA ASN A 125 -5.749 -3.828 10.596 1.00 54.14 H new ATOM 0 HB2 ASN A 125 -4.254 -1.363 11.380 1.00 15.34 H new ATOM 0 HB3 ASN A 125 -5.484 -1.304 10.133 1.00 15.34 H new ATOM 0 HD21 ASN A 125 -7.700 -0.585 12.752 1.00 14.20 H new ATOM 0 HD22 ASN A 125 -6.800 0.012 11.353 1.00 14.20 H new ATOM 1933 N VAL A 126 -3.070 -3.934 9.116 1.00 72.34 N ATOM 1934 CA VAL A 126 -2.490 -4.178 7.827 1.00 44.11 C ATOM 1935 C VAL A 126 -3.081 -5.497 7.323 1.00 30.22 C ATOM 1936 O VAL A 126 -2.867 -6.554 7.935 1.00 72.43 O ATOM 1937 CB VAL A 126 -0.940 -4.291 7.910 1.00 24.10 C ATOM 1938 CG1 VAL A 126 -0.334 -4.464 6.529 1.00 1.52 C ATOM 1939 CG2 VAL A 126 -0.337 -3.076 8.612 1.00 22.22 C ATOM 0 H VAL A 126 -2.516 -4.266 9.906 1.00 72.34 H new ATOM 0 HA VAL A 126 -2.712 -3.351 7.153 1.00 44.11 H new ATOM 0 HB VAL A 126 -0.703 -5.176 8.501 1.00 24.10 H new ATOM 0 HG11 VAL A 126 0.750 -4.541 6.614 1.00 1.52 H new ATOM 0 HG12 VAL A 126 -0.727 -5.371 6.070 1.00 1.52 H new ATOM 0 HG13 VAL A 126 -0.589 -3.604 5.909 1.00 1.52 H new ATOM 0 HG21 VAL A 126 0.747 -3.182 8.656 1.00 22.22 H new ATOM 0 HG22 VAL A 126 -0.591 -2.172 8.058 1.00 22.22 H new ATOM 0 HG23 VAL A 126 -0.736 -3.005 9.624 1.00 22.22 H new ATOM 1949 N ARG A 127 -3.830 -5.435 6.245 1.00 23.23 N ATOM 1950 CA ARG A 127 -4.524 -6.603 5.702 1.00 41.34 C ATOM 1951 C ARG A 127 -4.262 -6.718 4.207 1.00 61.15 C ATOM 1952 O ARG A 127 -3.709 -5.792 3.586 1.00 45.14 O ATOM 1953 CB ARG A 127 -6.039 -6.495 5.961 1.00 60.33 C ATOM 1954 CG ARG A 127 -6.433 -6.403 7.434 1.00 0.32 C ATOM 1955 CD ARG A 127 -6.082 -7.669 8.210 1.00 3.32 C ATOM 1956 NE ARG A 127 -6.384 -7.519 9.640 1.00 25.13 N ATOM 1957 CZ ARG A 127 -6.595 -8.513 10.517 1.00 71.23 C ATOM 1958 NH1 ARG A 127 -6.600 -9.775 10.121 1.00 41.21 N ATOM 1959 NH2 ARG A 127 -6.804 -8.226 11.797 1.00 63.44 N ATOM 0 H ARG A 127 -3.981 -4.578 5.713 1.00 23.23 H new ATOM 0 HA ARG A 127 -4.145 -7.495 6.200 1.00 41.34 H new ATOM 0 HB2 ARG A 127 -6.420 -5.615 5.442 1.00 60.33 H new ATOM 0 HB3 ARG A 127 -6.531 -7.363 5.521 1.00 60.33 H new ATOM 0 HG2 ARG A 127 -5.930 -5.550 7.889 1.00 0.32 H new ATOM 0 HG3 ARG A 127 -7.505 -6.219 7.510 1.00 0.32 H new ATOM 0 HD2 ARG A 127 -6.640 -8.513 7.805 1.00 3.32 H new ATOM 0 HD3 ARG A 127 -5.024 -7.895 8.081 1.00 3.32 H new ATOM 0 HE ARG A 127 -6.439 -6.567 10.002 1.00 25.13 H new ATOM 0 HH11 ARG A 127 -6.442 -10.002 9.139 1.00 41.21 H new ATOM 0 HH12 ARG A 127 -6.762 -10.521 10.797 1.00 41.21 H new ATOM 0 HH21 ARG A 127 -6.804 -7.255 12.109 1.00 63.44 H new ATOM 0 HH22 ARG A 127 -6.965 -8.977 12.468 1.00 63.44 H new ATOM 1973 N THR A 128 -4.636 -7.839 3.622 1.00 10.45 N ATOM 1974 CA THR A 128 -4.405 -8.038 2.221 1.00 53.54 C ATOM 1975 C THR A 128 -5.660 -7.623 1.457 1.00 53.12 C ATOM 1976 O THR A 128 -6.724 -7.432 2.050 1.00 15.42 O ATOM 1977 CB THR A 128 -4.105 -9.540 1.883 1.00 75.34 C ATOM 1978 OG1 THR A 128 -5.295 -10.301 1.914 1.00 43.43 O ATOM 1979 CG2 THR A 128 -3.137 -10.149 2.878 1.00 24.30 C ATOM 0 H THR A 128 -5.097 -8.615 4.098 1.00 10.45 H new ATOM 0 HA THR A 128 -3.539 -7.440 1.935 1.00 53.54 H new ATOM 0 HB THR A 128 -3.665 -9.559 0.886 1.00 75.34 H new ATOM 0 HG1 THR A 128 -5.619 -10.363 2.837 1.00 43.43 H new ATOM 0 HG21 THR A 128 -2.951 -11.190 2.614 1.00 24.30 H new ATOM 0 HG22 THR A 128 -2.198 -9.596 2.857 1.00 24.30 H new ATOM 0 HG23 THR A 128 -3.565 -10.099 3.879 1.00 24.30 H new ATOM 1987 N HIS A 129 -5.548 -7.507 0.144 1.00 13.34 N ATOM 1988 CA HIS A 129 -6.710 -7.207 -0.702 1.00 44.23 C ATOM 1989 C HIS A 129 -7.697 -8.397 -0.602 1.00 54.24 C ATOM 1990 O HIS A 129 -8.914 -8.245 -0.715 1.00 2.44 O ATOM 1991 CB HIS A 129 -6.234 -7.011 -2.162 1.00 70.24 C ATOM 1992 CG HIS A 129 -7.275 -6.494 -3.152 1.00 10.51 C ATOM 1993 ND1 HIS A 129 -6.950 -5.794 -4.291 1.00 32.42 N ATOM 1994 CD2 HIS A 129 -8.623 -6.614 -3.191 1.00 32.15 C ATOM 1995 CE1 HIS A 129 -8.032 -5.512 -4.979 1.00 74.32 C ATOM 1996 NE2 HIS A 129 -9.056 -5.999 -4.333 1.00 44.20 N ATOM 0 H HIS A 129 -4.671 -7.614 -0.365 1.00 13.34 H new ATOM 0 HA HIS A 129 -7.208 -6.294 -0.376 1.00 44.23 H new ATOM 0 HB2 HIS A 129 -5.393 -6.317 -2.157 1.00 70.24 H new ATOM 0 HB3 HIS A 129 -5.857 -7.966 -2.530 1.00 70.24 H new ATOM 0 HD2 HIS A 129 -9.243 -7.105 -2.455 1.00 32.15 H new ATOM 0 HE1 HIS A 129 -8.068 -4.973 -5.914 1.00 74.32 H new ATOM 0 HE2 HIS A 129 -10.028 -5.931 -4.633 1.00 44.20 H new ATOM 2004 N GLN A 130 -7.144 -9.562 -0.359 1.00 64.14 N ATOM 2005 CA GLN A 130 -7.904 -10.775 -0.236 1.00 13.34 C ATOM 2006 C GLN A 130 -8.594 -10.885 1.118 1.00 43.21 C ATOM 2007 O GLN A 130 -9.636 -11.529 1.251 1.00 51.41 O ATOM 2008 CB GLN A 130 -7.034 -11.985 -0.563 1.00 3.42 C ATOM 2009 CG GLN A 130 -7.697 -13.314 -0.290 1.00 30.12 C ATOM 2010 CD GLN A 130 -6.915 -14.471 -0.763 1.00 24.42 C ATOM 2011 OE1 GLN A 130 -6.908 -15.531 -0.149 1.00 63.40 O ATOM 2012 NE2 GLN A 130 -6.387 -14.342 -1.900 1.00 21.34 N ATOM 0 H GLN A 130 -6.139 -9.691 -0.240 1.00 64.14 H new ATOM 0 HA GLN A 130 -8.710 -10.749 -0.970 1.00 13.34 H new ATOM 0 HB2 GLN A 130 -6.751 -11.942 -1.615 1.00 3.42 H new ATOM 0 HB3 GLN A 130 -6.113 -11.924 0.018 1.00 3.42 H new ATOM 0 HG2 GLN A 130 -7.865 -13.413 0.782 1.00 30.12 H new ATOM 0 HG3 GLN A 130 -8.676 -13.327 -0.769 1.00 30.12 H new ATOM 0 HE21 GLN A 130 -6.416 -13.441 -2.376 1.00 21.34 H new ATOM 0 HE22 GLN A 130 -5.931 -15.139 -2.344 1.00 21.34 H new ATOM 2021 N SER A 131 -8.041 -10.220 2.088 1.00 34.21 N ATOM 2022 CA SER A 131 -8.593 -10.215 3.425 1.00 13.22 C ATOM 2023 C SER A 131 -9.906 -9.463 3.411 1.00 74.15 C ATOM 2024 O SER A 131 -10.864 -9.817 4.109 1.00 0.03 O ATOM 2025 CB SER A 131 -7.629 -9.529 4.395 1.00 22.23 C ATOM 2026 OG SER A 131 -6.348 -10.151 4.401 1.00 35.24 O ATOM 0 H SER A 131 -7.193 -9.663 1.983 1.00 34.21 H new ATOM 0 HA SER A 131 -8.750 -11.243 3.752 1.00 13.22 H new ATOM 0 HB2 SER A 131 -7.522 -8.480 4.119 1.00 22.23 H new ATOM 0 HB3 SER A 131 -8.048 -9.552 5.401 1.00 22.23 H new ATOM 0 HG SER A 131 -5.938 -10.048 5.285 1.00 35.24 H new ATOM 2032 N TRP A 132 -9.961 -8.458 2.566 1.00 0.02 N ATOM 2033 CA TRP A 132 -11.123 -7.609 2.487 1.00 44.34 C ATOM 2034 C TRP A 132 -12.194 -8.227 1.611 1.00 44.40 C ATOM 2035 O TRP A 132 -13.308 -8.507 2.067 1.00 44.14 O ATOM 2036 CB TRP A 132 -10.771 -6.233 1.928 1.00 13.05 C ATOM 2037 CG TRP A 132 -9.769 -5.430 2.713 1.00 15.50 C ATOM 2038 CD1 TRP A 132 -8.591 -4.934 2.249 1.00 2.41 C ATOM 2039 CD2 TRP A 132 -9.850 -5.029 4.090 1.00 44.41 C ATOM 2040 NE1 TRP A 132 -7.955 -4.230 3.228 1.00 54.02 N ATOM 2041 CE2 TRP A 132 -8.694 -4.282 4.372 1.00 3.13 C ATOM 2042 CE3 TRP A 132 -10.786 -5.224 5.109 1.00 15.33 C ATOM 2043 CZ2 TRP A 132 -8.447 -3.729 5.621 1.00 41.23 C ATOM 2044 CZ3 TRP A 132 -10.536 -4.676 6.348 1.00 72.13 C ATOM 2045 CH2 TRP A 132 -9.379 -3.939 6.594 1.00 34.44 C ATOM 0 H TRP A 132 -9.210 -8.210 1.922 1.00 0.02 H new ATOM 0 HA TRP A 132 -11.500 -7.500 3.504 1.00 44.34 H new ATOM 0 HB2 TRP A 132 -10.388 -6.363 0.916 1.00 13.05 H new ATOM 0 HB3 TRP A 132 -11.689 -5.651 1.849 1.00 13.05 H new ATOM 0 HD1 TRP A 132 -8.213 -5.077 1.248 1.00 2.41 H new ATOM 0 HE1 TRP A 132 -7.066 -3.741 3.121 1.00 54.02 H new ATOM 0 HE3 TRP A 132 -11.687 -5.792 4.929 1.00 15.33 H new ATOM 0 HZ2 TRP A 132 -7.553 -3.155 5.814 1.00 41.23 H new ATOM 0 HZ3 TRP A 132 -11.251 -4.820 7.145 1.00 72.13 H new ATOM 0 HH2 TRP A 132 -9.217 -3.525 7.578 1.00 34.44 H new ATOM 2056 N SER A 133 -11.850 -8.443 0.368 1.00 24.34 N ATOM 2057 CA SER A 133 -12.774 -8.932 -0.602 1.00 4.22 C ATOM 2058 C SER A 133 -12.363 -10.315 -1.075 1.00 73.14 C ATOM 2059 O SER A 133 -13.167 -11.241 -1.107 1.00 2.13 O ATOM 2060 CB SER A 133 -12.823 -7.938 -1.748 1.00 4.31 C ATOM 2061 OG SER A 133 -11.505 -7.648 -2.222 1.00 74.24 O ATOM 0 H SER A 133 -10.911 -8.281 0.005 1.00 24.34 H new ATOM 0 HA SER A 133 -13.769 -9.030 -0.168 1.00 4.22 H new ATOM 0 HB2 SER A 133 -13.427 -8.342 -2.561 1.00 4.31 H new ATOM 0 HB3 SER A 133 -13.307 -7.019 -1.418 1.00 4.31 H new ATOM 0 HG SER A 133 -11.430 -6.690 -2.414 1.00 74.24 H new ATOM 2067 N GLY A 134 -11.112 -10.455 -1.429 1.00 4.43 N ATOM 2068 CA GLY A 134 -10.634 -11.741 -1.832 1.00 74.21 C ATOM 2069 C GLY A 134 -9.727 -11.705 -3.023 1.00 3.14 C ATOM 2070 O GLY A 134 -9.253 -12.750 -3.467 1.00 71.40 O ATOM 0 H GLY A 134 -10.420 -9.706 -1.445 1.00 4.43 H new ATOM 0 HA2 GLY A 134 -10.103 -12.199 -0.997 1.00 74.21 H new ATOM 0 HA3 GLY A 134 -11.487 -12.381 -2.057 1.00 74.21 H new ATOM 2074 N LYS A 135 -9.449 -10.523 -3.540 1.00 11.22 N ATOM 2075 CA LYS A 135 -8.586 -10.441 -4.696 1.00 3.13 C ATOM 2076 C LYS A 135 -7.155 -10.672 -4.301 1.00 30.51 C ATOM 2077 O LYS A 135 -6.612 -9.998 -3.400 1.00 62.14 O ATOM 2078 CB LYS A 135 -8.766 -9.158 -5.513 1.00 62.54 C ATOM 2079 CG LYS A 135 -7.784 -9.051 -6.686 1.00 1.21 C ATOM 2080 CD LYS A 135 -8.079 -7.872 -7.600 1.00 64.14 C ATOM 2081 CE LYS A 135 -9.422 -8.017 -8.310 1.00 2.24 C ATOM 2082 NZ LYS A 135 -9.708 -6.867 -9.201 1.00 11.14 N ATOM 0 H LYS A 135 -9.798 -9.631 -3.188 1.00 11.22 H new ATOM 0 HA LYS A 135 -8.889 -11.241 -5.371 1.00 3.13 H new ATOM 0 HB2 LYS A 135 -9.786 -9.118 -5.896 1.00 62.54 H new ATOM 0 HB3 LYS A 135 -8.637 -8.296 -4.858 1.00 62.54 H new ATOM 0 HG2 LYS A 135 -6.770 -8.958 -6.297 1.00 1.21 H new ATOM 0 HG3 LYS A 135 -7.819 -9.972 -7.267 1.00 1.21 H new ATOM 0 HD2 LYS A 135 -8.076 -6.952 -7.016 1.00 64.14 H new ATOM 0 HD3 LYS A 135 -7.285 -7.782 -8.342 1.00 64.14 H new ATOM 0 HE2 LYS A 135 -9.425 -8.937 -8.894 1.00 2.24 H new ATOM 0 HE3 LYS A 135 -10.216 -8.107 -7.569 1.00 2.24 H new ATOM 0 HZ1 LYS A 135 -10.629 -7.006 -9.663 1.00 11.14 H new ATOM 0 HZ2 LYS A 135 -9.731 -5.991 -8.641 1.00 11.14 H new ATOM 0 HZ3 LYS A 135 -8.965 -6.796 -9.925 1.00 11.14 H new ATOM 2096 N TYR A 136 -6.560 -11.623 -4.951 1.00 54.13 N ATOM 2097 CA TYR A 136 -5.248 -12.071 -4.645 1.00 50.11 C ATOM 2098 C TYR A 136 -4.234 -11.050 -5.155 1.00 20.12 C ATOM 2099 O TYR A 136 -3.920 -10.996 -6.340 1.00 2.03 O ATOM 2100 CB TYR A 136 -5.065 -13.432 -5.329 1.00 44.13 C ATOM 2101 CG TYR A 136 -3.983 -14.343 -4.801 1.00 1.53 C ATOM 2102 CD1 TYR A 136 -3.902 -14.630 -3.454 1.00 24.40 C ATOM 2103 CD2 TYR A 136 -3.080 -14.960 -5.658 1.00 22.11 C ATOM 2104 CE1 TYR A 136 -2.948 -15.495 -2.967 1.00 73.52 C ATOM 2105 CE2 TYR A 136 -2.128 -15.837 -5.172 1.00 3.00 C ATOM 2106 CZ TYR A 136 -2.070 -16.098 -3.823 1.00 51.33 C ATOM 2107 OH TYR A 136 -1.133 -16.972 -3.326 1.00 4.41 O ATOM 0 H TYR A 136 -6.991 -12.120 -5.731 1.00 54.13 H new ATOM 0 HA TYR A 136 -5.096 -12.176 -3.571 1.00 50.11 H new ATOM 0 HB2 TYR A 136 -6.013 -13.967 -5.270 1.00 44.13 H new ATOM 0 HB3 TYR A 136 -4.866 -13.252 -6.386 1.00 44.13 H new ATOM 0 HD1 TYR A 136 -4.599 -14.168 -2.770 1.00 24.40 H new ATOM 0 HD2 TYR A 136 -3.122 -14.752 -6.717 1.00 22.11 H new ATOM 0 HE1 TYR A 136 -2.894 -15.697 -1.907 1.00 73.52 H new ATOM 0 HE2 TYR A 136 -1.434 -16.314 -5.848 1.00 3.00 H new ATOM 0 HH TYR A 136 -0.297 -16.491 -3.151 1.00 4.41 H new ATOM 2117 N CYS A 137 -3.795 -10.210 -4.259 1.00 62.40 N ATOM 2118 CA CYS A 137 -2.747 -9.231 -4.572 1.00 31.23 C ATOM 2119 C CYS A 137 -1.402 -9.567 -4.015 1.00 22.42 C ATOM 2120 O CYS A 137 -0.459 -9.665 -4.772 1.00 20.33 O ATOM 2121 CB CYS A 137 -3.129 -7.777 -4.346 1.00 54.41 C ATOM 2122 SG CYS A 137 -4.051 -7.102 -5.699 1.00 50.25 S ATOM 0 H CYS A 137 -4.137 -10.170 -3.299 1.00 62.40 H new ATOM 0 HA CYS A 137 -2.651 -9.326 -5.654 1.00 31.23 H new ATOM 0 HB2 CYS A 137 -3.718 -7.697 -3.433 1.00 54.41 H new ATOM 0 HB3 CYS A 137 -2.226 -7.186 -4.195 1.00 54.41 H new ATOM 0 HG CYS A 137 -5.151 -6.572 -5.253 1.00 50.25 H new ATOM 2127 N PRO A 138 -1.243 -9.751 -2.685 1.00 20.05 N ATOM 2128 CA PRO A 138 0.037 -10.170 -2.134 1.00 43.34 C ATOM 2129 C PRO A 138 0.253 -11.671 -2.381 1.00 4.43 C ATOM 2130 O PRO A 138 0.556 -12.428 -1.476 1.00 53.23 O ATOM 2131 CB PRO A 138 -0.102 -9.854 -0.652 1.00 10.52 C ATOM 2132 CG PRO A 138 -1.541 -9.990 -0.376 1.00 11.32 C ATOM 2133 CD PRO A 138 -2.255 -9.555 -1.620 1.00 40.21 C ATOM 0 HA PRO A 138 0.896 -9.672 -2.584 1.00 43.34 H new ATOM 0 HB2 PRO A 138 0.485 -10.542 -0.043 1.00 10.52 H new ATOM 0 HB3 PRO A 138 0.251 -8.848 -0.426 1.00 10.52 H new ATOM 0 HG2 PRO A 138 -1.792 -11.020 -0.125 1.00 11.32 H new ATOM 0 HG3 PRO A 138 -1.833 -9.374 0.475 1.00 11.32 H new ATOM 0 HD2 PRO A 138 -3.148 -10.153 -1.800 1.00 40.21 H new ATOM 0 HD3 PRO A 138 -2.575 -8.515 -1.557 1.00 40.21 H new ATOM 2141 N HIS A 139 0.130 -12.048 -3.653 1.00 64.24 N ATOM 2142 CA HIS A 139 0.237 -13.413 -4.146 1.00 44.01 C ATOM 2143 C HIS A 139 1.518 -14.098 -3.680 1.00 44.01 C ATOM 2144 O HIS A 139 1.507 -15.261 -3.327 1.00 12.34 O ATOM 2145 CB HIS A 139 0.182 -13.421 -5.701 1.00 12.31 C ATOM 2146 CG HIS A 139 1.340 -12.713 -6.381 1.00 22.25 C ATOM 2147 ND1 HIS A 139 2.469 -13.355 -6.841 1.00 14.33 N ATOM 2148 CD2 HIS A 139 1.532 -11.400 -6.640 1.00 51.44 C ATOM 2149 CE1 HIS A 139 3.295 -12.438 -7.343 1.00 55.40 C ATOM 2150 NE2 HIS A 139 2.771 -11.227 -7.247 1.00 73.01 N ATOM 0 H HIS A 139 -0.055 -11.377 -4.398 1.00 64.24 H new ATOM 0 HA HIS A 139 -0.605 -13.971 -3.737 1.00 44.01 H new ATOM 0 HB2 HIS A 139 0.154 -14.455 -6.045 1.00 12.31 H new ATOM 0 HB3 HIS A 139 -0.750 -12.954 -6.020 1.00 12.31 H new ATOM 0 HD1 HIS A 139 2.643 -14.359 -6.804 1.00 14.33 H new ATOM 0 HD2 HIS A 139 0.833 -10.609 -6.411 1.00 51.44 H new ATOM 0 HE1 HIS A 139 4.263 -12.654 -7.771 1.00 55.40 H new ATOM 2158 N ARG A 140 2.596 -13.358 -3.678 1.00 21.44 N ATOM 2159 CA ARG A 140 3.881 -13.852 -3.334 1.00 22.14 C ATOM 2160 C ARG A 140 3.891 -14.157 -1.848 1.00 41.22 C ATOM 2161 O ARG A 140 4.203 -15.253 -1.420 1.00 32.14 O ATOM 2162 CB ARG A 140 4.908 -12.754 -3.652 1.00 63.44 C ATOM 2163 CG ARG A 140 6.345 -13.167 -3.484 1.00 50.11 C ATOM 2164 CD ARG A 140 6.761 -14.240 -4.468 1.00 24.12 C ATOM 2165 NE ARG A 140 8.125 -14.663 -4.205 1.00 32.12 N ATOM 2166 CZ ARG A 140 9.008 -15.080 -5.106 1.00 23.40 C ATOM 2167 NH1 ARG A 140 8.673 -15.187 -6.395 1.00 61.22 N ATOM 2168 NH2 ARG A 140 10.224 -15.396 -4.717 1.00 33.34 N ATOM 0 H ARG A 140 2.592 -12.368 -3.924 1.00 21.44 H new ATOM 0 HA ARG A 140 4.123 -14.757 -3.891 1.00 22.14 H new ATOM 0 HB2 ARG A 140 4.758 -12.422 -4.679 1.00 63.44 H new ATOM 0 HB3 ARG A 140 4.713 -11.896 -3.008 1.00 63.44 H new ATOM 0 HG2 ARG A 140 6.987 -12.295 -3.610 1.00 50.11 H new ATOM 0 HG3 ARG A 140 6.498 -13.532 -2.468 1.00 50.11 H new ATOM 0 HD2 ARG A 140 6.087 -15.093 -4.392 1.00 24.12 H new ATOM 0 HD3 ARG A 140 6.681 -13.860 -5.486 1.00 24.12 H new ATOM 0 HE ARG A 140 8.436 -14.638 -3.234 1.00 32.12 H new ATOM 0 HH11 ARG A 140 7.729 -14.947 -6.698 1.00 61.22 H new ATOM 0 HH12 ARG A 140 9.361 -15.508 -7.076 1.00 61.22 H new ATOM 0 HH21 ARG A 140 10.481 -15.320 -3.733 1.00 33.34 H new ATOM 0 HH22 ARG A 140 10.910 -15.717 -5.400 1.00 33.34 H new ATOM 2182 N MET A 141 3.441 -13.194 -1.106 1.00 14.30 N ATOM 2183 CA MET A 141 3.441 -13.213 0.340 1.00 64.20 C ATOM 2184 C MET A 141 2.457 -14.256 0.864 1.00 31.33 C ATOM 2185 O MET A 141 2.719 -14.915 1.859 1.00 2.24 O ATOM 2186 CB MET A 141 3.084 -11.804 0.798 1.00 3.04 C ATOM 2187 CG MET A 141 4.045 -10.776 0.201 1.00 64.43 C ATOM 2188 SD MET A 141 3.468 -9.071 0.265 1.00 73.40 S ATOM 2189 CE MET A 141 3.406 -8.784 2.003 1.00 63.33 C ATOM 0 H MET A 141 3.047 -12.338 -1.496 1.00 14.30 H new ATOM 0 HA MET A 141 4.417 -13.496 0.735 1.00 64.20 H new ATOM 0 HB2 MET A 141 2.062 -11.568 0.500 1.00 3.04 H new ATOM 0 HB3 MET A 141 3.119 -11.751 1.886 1.00 3.04 H new ATOM 0 HG2 MET A 141 4.997 -10.842 0.727 1.00 64.43 H new ATOM 0 HG3 MET A 141 4.237 -11.041 -0.839 1.00 64.43 H new ATOM 0 HE1 MET A 141 2.535 -8.173 2.240 1.00 63.33 H new ATOM 0 HE2 MET A 141 3.334 -9.737 2.527 1.00 63.33 H new ATOM 0 HE3 MET A 141 4.311 -8.264 2.318 1.00 63.33 H new ATOM 2199 N LEU A 142 1.347 -14.418 0.179 1.00 74.13 N ATOM 2200 CA LEU A 142 0.361 -15.413 0.555 1.00 61.35 C ATOM 2201 C LEU A 142 0.799 -16.828 0.168 1.00 53.02 C ATOM 2202 O LEU A 142 0.634 -17.767 0.944 1.00 11.23 O ATOM 2203 CB LEU A 142 -1.021 -15.073 -0.019 1.00 43.22 C ATOM 2204 CG LEU A 142 -1.691 -13.805 0.542 1.00 74.41 C ATOM 2205 CD1 LEU A 142 -2.990 -13.506 -0.190 1.00 54.32 C ATOM 2206 CD2 LEU A 142 -1.985 -13.981 2.016 1.00 30.21 C ATOM 0 H LEU A 142 1.101 -13.871 -0.646 1.00 74.13 H new ATOM 0 HA LEU A 142 0.281 -15.393 1.642 1.00 61.35 H new ATOM 0 HB2 LEU A 142 -0.927 -14.963 -1.099 1.00 43.22 H new ATOM 0 HB3 LEU A 142 -1.685 -15.919 0.158 1.00 43.22 H new ATOM 0 HG LEU A 142 -1.003 -12.972 0.398 1.00 74.41 H new ATOM 0 HD11 LEU A 142 -3.443 -12.606 0.226 1.00 54.32 H new ATOM 0 HD12 LEU A 142 -2.784 -13.353 -1.249 1.00 54.32 H new ATOM 0 HD13 LEU A 142 -3.676 -14.345 -0.072 1.00 54.32 H new ATOM 0 HD21 LEU A 142 -2.459 -13.079 2.403 1.00 30.21 H new ATOM 0 HD22 LEU A 142 -2.654 -14.830 2.155 1.00 30.21 H new ATOM 0 HD23 LEU A 142 -1.054 -14.161 2.554 1.00 30.21 H new ATOM 2218 N ALA A 143 1.387 -16.976 -1.016 1.00 52.11 N ATOM 2219 CA ALA A 143 1.802 -18.289 -1.500 1.00 74.43 C ATOM 2220 C ALA A 143 2.998 -18.813 -0.739 1.00 33.10 C ATOM 2221 O ALA A 143 3.141 -20.031 -0.553 1.00 23.32 O ATOM 2222 CB ALA A 143 2.111 -18.255 -2.986 1.00 52.03 C ATOM 0 H ALA A 143 1.586 -16.207 -1.655 1.00 52.11 H new ATOM 0 HA ALA A 143 0.965 -18.967 -1.331 1.00 74.43 H new ATOM 0 HB1 ALA A 143 2.417 -19.247 -3.317 1.00 52.03 H new ATOM 0 HB2 ALA A 143 1.221 -17.948 -3.536 1.00 52.03 H new ATOM 0 HB3 ALA A 143 2.917 -17.545 -3.174 1.00 52.03 H new ATOM 2228 N GLU A 144 3.858 -17.910 -0.300 1.00 12.33 N ATOM 2229 CA GLU A 144 5.051 -18.314 0.405 1.00 74.31 C ATOM 2230 C GLU A 144 4.816 -18.309 1.897 1.00 20.45 C ATOM 2231 O GLU A 144 5.688 -18.710 2.679 1.00 54.20 O ATOM 2232 CB GLU A 144 6.213 -17.386 0.098 1.00 3.12 C ATOM 2233 CG GLU A 144 6.523 -17.194 -1.366 1.00 32.21 C ATOM 2234 CD GLU A 144 7.886 -16.592 -1.539 1.00 53.42 C ATOM 2235 OE1 GLU A 144 8.019 -15.354 -1.541 1.00 60.52 O ATOM 2236 OE2 GLU A 144 8.862 -17.360 -1.652 1.00 61.52 O ATOM 0 H GLU A 144 3.750 -16.903 -0.420 1.00 12.33 H new ATOM 0 HA GLU A 144 5.295 -19.322 0.070 1.00 74.31 H new ATOM 0 HB2 GLU A 144 6.002 -16.411 0.538 1.00 3.12 H new ATOM 0 HB3 GLU A 144 7.104 -17.773 0.592 1.00 3.12 H new ATOM 0 HG2 GLU A 144 6.474 -18.152 -1.883 1.00 32.21 H new ATOM 0 HG3 GLU A 144 5.773 -16.547 -1.821 1.00 32.21 H new ATOM 2243 N GLY A 145 3.645 -17.837 2.293 1.00 30.35 N ATOM 2244 CA GLY A 145 3.327 -17.717 3.698 1.00 62.45 C ATOM 2245 C GLY A 145 4.262 -16.739 4.380 1.00 45.13 C ATOM 2246 O GLY A 145 4.746 -16.993 5.478 1.00 51.33 O ATOM 0 H GLY A 145 2.905 -17.533 1.661 1.00 30.35 H new ATOM 0 HA2 GLY A 145 2.296 -17.383 3.815 1.00 62.45 H new ATOM 0 HA3 GLY A 145 3.402 -18.693 4.177 1.00 62.45 H new ATOM 2250 N ARG A 146 4.564 -15.650 3.688 1.00 55.44 N ATOM 2251 CA ARG A 146 5.453 -14.614 4.187 1.00 61.53 C ATOM 2252 C ARG A 146 4.695 -13.389 4.661 1.00 10.33 C ATOM 2253 O ARG A 146 5.312 -12.401 5.040 1.00 72.33 O ATOM 2254 CB ARG A 146 6.490 -14.192 3.139 1.00 11.32 C ATOM 2255 CG ARG A 146 7.502 -15.262 2.707 1.00 2.41 C ATOM 2256 CD ARG A 146 8.375 -15.758 3.862 1.00 24.40 C ATOM 2257 NE ARG A 146 7.622 -16.563 4.835 1.00 20.34 N ATOM 2258 CZ ARG A 146 8.102 -16.997 6.012 1.00 11.40 C ATOM 2259 NH1 ARG A 146 9.293 -16.587 6.449 1.00 73.23 N ATOM 2260 NH2 ARG A 146 7.371 -17.817 6.759 1.00 20.44 N ATOM 0 H ARG A 146 4.195 -15.460 2.756 1.00 55.44 H new ATOM 0 HA ARG A 146 5.972 -15.055 5.038 1.00 61.53 H new ATOM 0 HB2 ARG A 146 5.958 -13.848 2.252 1.00 11.32 H new ATOM 0 HB3 ARG A 146 7.043 -13.338 3.531 1.00 11.32 H new ATOM 0 HG2 ARG A 146 6.967 -16.107 2.274 1.00 2.41 H new ATOM 0 HG3 ARG A 146 8.142 -14.855 1.924 1.00 2.41 H new ATOM 0 HD2 ARG A 146 9.196 -16.353 3.462 1.00 24.40 H new ATOM 0 HD3 ARG A 146 8.819 -14.902 4.370 1.00 24.40 H new ATOM 0 HE ARG A 146 6.661 -16.811 4.598 1.00 20.34 H new ATOM 0 HH11 ARG A 146 9.847 -15.939 5.888 1.00 73.23 H new ATOM 0 HH12 ARG A 146 9.651 -16.921 7.344 1.00 73.23 H new ATOM 0 HH21 ARG A 146 6.450 -18.114 6.438 1.00 20.44 H new ATOM 0 HH22 ARG A 146 7.731 -18.149 7.654 1.00 20.44 H new ATOM 2274 N TRP A 147 3.365 -13.439 4.629 1.00 20.11 N ATOM 2275 CA TRP A 147 2.570 -12.291 5.080 1.00 42.40 C ATOM 2276 C TRP A 147 2.888 -11.947 6.533 1.00 42.22 C ATOM 2277 O TRP A 147 3.130 -10.776 6.874 1.00 4.25 O ATOM 2278 CB TRP A 147 1.055 -12.514 4.902 1.00 64.23 C ATOM 2279 CG TRP A 147 0.246 -11.367 5.425 1.00 53.10 C ATOM 2280 CD1 TRP A 147 -0.337 -11.277 6.650 1.00 40.34 C ATOM 2281 CD2 TRP A 147 -0.044 -10.143 4.757 1.00 22.35 C ATOM 2282 NE1 TRP A 147 -0.957 -10.075 6.793 1.00 45.33 N ATOM 2283 CE2 TRP A 147 -0.803 -9.359 5.642 1.00 44.24 C ATOM 2284 CE3 TRP A 147 0.263 -9.627 3.498 1.00 34.10 C ATOM 2285 CZ2 TRP A 147 -1.255 -8.093 5.308 1.00 12.51 C ATOM 2286 CZ3 TRP A 147 -0.186 -8.382 3.172 1.00 53.54 C ATOM 2287 CH2 TRP A 147 -0.938 -7.621 4.070 1.00 41.35 C ATOM 0 H TRP A 147 2.822 -14.239 4.305 1.00 20.11 H new ATOM 0 HA TRP A 147 2.849 -11.450 4.446 1.00 42.40 H new ATOM 0 HB2 TRP A 147 0.833 -12.660 3.845 1.00 64.23 H new ATOM 0 HB3 TRP A 147 0.761 -13.428 5.418 1.00 64.23 H new ATOM 0 HD1 TRP A 147 -0.311 -12.051 7.403 1.00 40.34 H new ATOM 0 HE1 TRP A 147 -1.456 -9.760 7.625 1.00 45.33 H new ATOM 0 HE3 TRP A 147 0.846 -10.203 2.795 1.00 34.10 H new ATOM 0 HZ2 TRP A 147 -1.836 -7.503 6.002 1.00 12.51 H new ATOM 0 HZ3 TRP A 147 0.045 -7.975 2.198 1.00 53.54 H new ATOM 0 HH2 TRP A 147 -1.275 -6.638 3.777 1.00 41.35 H new ATOM 2298 N GLY A 148 2.916 -12.970 7.373 1.00 62.03 N ATOM 2299 CA GLY A 148 3.216 -12.783 8.767 1.00 73.43 C ATOM 2300 C GLY A 148 4.617 -12.263 8.962 1.00 4.01 C ATOM 2301 O GLY A 148 4.862 -11.460 9.852 1.00 1.44 O ATOM 0 H GLY A 148 2.733 -13.937 7.104 1.00 62.03 H new ATOM 0 HA2 GLY A 148 2.503 -12.084 9.204 1.00 73.43 H new ATOM 0 HA3 GLY A 148 3.100 -13.729 9.296 1.00 73.43 H new ATOM 2305 N ALA A 149 5.525 -12.711 8.112 1.00 42.44 N ATOM 2306 CA ALA A 149 6.910 -12.281 8.139 1.00 54.14 C ATOM 2307 C ALA A 149 7.021 -10.811 7.762 1.00 21.32 C ATOM 2308 O ALA A 149 7.757 -10.065 8.390 1.00 50.24 O ATOM 2309 CB ALA A 149 7.762 -13.146 7.217 1.00 13.14 C ATOM 0 H ALA A 149 5.319 -13.389 7.378 1.00 42.44 H new ATOM 0 HA ALA A 149 7.287 -12.400 9.155 1.00 54.14 H new ATOM 0 HB1 ALA A 149 8.797 -12.806 7.253 1.00 13.14 H new ATOM 0 HB2 ALA A 149 7.710 -14.185 7.542 1.00 13.14 H new ATOM 0 HB3 ALA A 149 7.389 -13.066 6.196 1.00 13.14 H new ATOM 2315 N PHE A 150 6.278 -10.400 6.733 1.00 74.22 N ATOM 2316 CA PHE A 150 6.246 -8.999 6.328 1.00 14.53 C ATOM 2317 C PHE A 150 5.739 -8.143 7.471 1.00 41.55 C ATOM 2318 O PHE A 150 6.379 -7.174 7.847 1.00 54.43 O ATOM 2319 CB PHE A 150 5.380 -8.799 5.075 1.00 45.24 C ATOM 2320 CG PHE A 150 5.241 -7.354 4.649 1.00 45.32 C ATOM 2321 CD1 PHE A 150 6.350 -6.622 4.302 1.00 50.35 C ATOM 2322 CD2 PHE A 150 3.992 -6.738 4.588 1.00 41.41 C ATOM 2323 CE1 PHE A 150 6.230 -5.309 3.904 1.00 12.02 C ATOM 2324 CE2 PHE A 150 3.872 -5.417 4.186 1.00 60.00 C ATOM 2325 CZ PHE A 150 4.994 -4.707 3.844 1.00 35.15 C ATOM 0 H PHE A 150 5.694 -11.017 6.169 1.00 74.22 H new ATOM 0 HA PHE A 150 7.261 -8.692 6.077 1.00 14.53 H new ATOM 0 HB2 PHE A 150 5.811 -9.370 4.253 1.00 45.24 H new ATOM 0 HB3 PHE A 150 4.388 -9.209 5.262 1.00 45.24 H new ATOM 0 HD1 PHE A 150 7.327 -7.081 4.342 1.00 50.35 H new ATOM 0 HD2 PHE A 150 3.108 -7.297 4.857 1.00 41.41 H new ATOM 0 HE1 PHE A 150 7.113 -4.747 3.637 1.00 12.02 H new ATOM 0 HE2 PHE A 150 2.900 -4.949 4.142 1.00 60.00 H new ATOM 0 HZ PHE A 150 4.908 -3.678 3.528 1.00 35.15 H new ATOM 2335 N ILE A 151 4.609 -8.533 8.035 1.00 53.22 N ATOM 2336 CA ILE A 151 4.029 -7.862 9.177 1.00 64.23 C ATOM 2337 C ILE A 151 4.994 -7.864 10.381 1.00 12.33 C ATOM 2338 O ILE A 151 5.087 -6.879 11.128 1.00 14.11 O ATOM 2339 CB ILE A 151 2.625 -8.484 9.492 1.00 23.12 C ATOM 2340 CG1 ILE A 151 1.504 -7.719 8.770 1.00 24.14 C ATOM 2341 CG2 ILE A 151 2.339 -8.654 10.959 1.00 33.42 C ATOM 2342 CD1 ILE A 151 1.666 -7.631 7.272 1.00 51.01 C ATOM 0 H ILE A 151 4.066 -9.332 7.707 1.00 53.22 H new ATOM 0 HA ILE A 151 3.869 -6.809 8.943 1.00 64.23 H new ATOM 0 HB ILE A 151 2.656 -9.499 9.096 1.00 23.12 H new ATOM 0 HG12 ILE A 151 0.552 -8.202 8.991 1.00 24.14 H new ATOM 0 HG13 ILE A 151 1.451 -6.709 9.176 1.00 24.14 H new ATOM 0 HG21 ILE A 151 1.348 -9.090 11.088 1.00 33.42 H new ATOM 0 HG22 ILE A 151 3.086 -9.313 11.401 1.00 33.42 H new ATOM 0 HG23 ILE A 151 2.375 -7.682 11.452 1.00 33.42 H new ATOM 0 HD11 ILE A 151 0.830 -7.075 6.848 1.00 51.01 H new ATOM 0 HD12 ILE A 151 2.599 -7.119 7.036 1.00 51.01 H new ATOM 0 HD13 ILE A 151 1.686 -8.635 6.849 1.00 51.01 H new ATOM 2354 N GLN A 152 5.733 -8.944 10.515 1.00 34.53 N ATOM 2355 CA GLN A 152 6.750 -9.080 11.534 1.00 63.32 C ATOM 2356 C GLN A 152 7.828 -8.009 11.317 1.00 50.04 C ATOM 2357 O GLN A 152 8.279 -7.380 12.268 1.00 1.20 O ATOM 2358 CB GLN A 152 7.363 -10.487 11.455 1.00 60.51 C ATOM 2359 CG GLN A 152 8.417 -10.818 12.497 1.00 52.20 C ATOM 2360 CD GLN A 152 8.999 -12.212 12.285 1.00 3.42 C ATOM 2361 OE1 GLN A 152 8.323 -13.119 11.779 1.00 74.14 O ATOM 2362 NE2 GLN A 152 10.235 -12.401 12.671 1.00 14.04 N ATOM 0 H GLN A 152 5.643 -9.762 9.912 1.00 34.53 H new ATOM 0 HA GLN A 152 6.312 -8.944 12.523 1.00 63.32 H new ATOM 0 HB2 GLN A 152 6.558 -11.217 11.538 1.00 60.51 H new ATOM 0 HB3 GLN A 152 7.806 -10.613 10.467 1.00 60.51 H new ATOM 0 HG2 GLN A 152 9.217 -10.079 12.454 1.00 52.20 H new ATOM 0 HG3 GLN A 152 7.978 -10.754 13.493 1.00 52.20 H new ATOM 0 HE21 GLN A 152 10.764 -11.633 13.084 1.00 14.04 H new ATOM 0 HE22 GLN A 152 10.670 -13.317 12.559 1.00 14.04 H new ATOM 2371 N LYS A 153 8.219 -7.797 10.056 1.00 51.11 N ATOM 2372 CA LYS A 153 9.211 -6.808 9.714 1.00 64.14 C ATOM 2373 C LYS A 153 8.679 -5.382 9.856 1.00 21.23 C ATOM 2374 O LYS A 153 9.395 -4.511 10.367 1.00 72.02 O ATOM 2375 CB LYS A 153 9.673 -7.031 8.311 1.00 5.51 C ATOM 2376 CG LYS A 153 10.282 -8.393 8.065 1.00 1.02 C ATOM 2377 CD LYS A 153 10.505 -8.591 6.596 1.00 53.01 C ATOM 2378 CE LYS A 153 11.503 -7.580 6.045 1.00 41.35 C ATOM 2379 NZ LYS A 153 11.779 -7.763 4.618 1.00 3.33 N ATOM 0 H LYS A 153 7.850 -8.311 9.256 1.00 51.11 H new ATOM 0 HA LYS A 153 10.042 -6.920 10.410 1.00 64.14 H new ATOM 0 HB2 LYS A 153 8.827 -6.897 7.637 1.00 5.51 H new ATOM 0 HB3 LYS A 153 10.407 -6.266 8.057 1.00 5.51 H new ATOM 0 HG2 LYS A 153 11.227 -8.481 8.601 1.00 1.02 H new ATOM 0 HG3 LYS A 153 9.623 -9.171 8.450 1.00 1.02 H new ATOM 0 HD2 LYS A 153 10.871 -9.602 6.415 1.00 53.01 H new ATOM 0 HD3 LYS A 153 9.557 -8.495 6.066 1.00 53.01 H new ATOM 0 HE2 LYS A 153 11.119 -6.573 6.208 1.00 41.35 H new ATOM 0 HE3 LYS A 153 12.436 -7.659 6.602 1.00 41.35 H new ATOM 0 HZ1 LYS A 153 12.549 -7.127 4.329 1.00 3.33 H new ATOM 0 HZ2 LYS A 153 12.060 -8.749 4.442 1.00 3.33 H new ATOM 0 HZ3 LYS A 153 10.924 -7.544 4.068 1.00 3.33 H new ATOM 2393 N VAL A 154 7.435 -5.141 9.397 1.00 44.43 N ATOM 2394 CA VAL A 154 6.790 -3.818 9.474 1.00 62.10 C ATOM 2395 C VAL A 154 6.708 -3.327 10.918 1.00 33.43 C ATOM 2396 O VAL A 154 6.840 -2.130 11.185 1.00 74.35 O ATOM 2397 CB VAL A 154 5.347 -3.860 8.895 1.00 35.54 C ATOM 2398 CG1 VAL A 154 4.682 -2.523 9.013 1.00 65.22 C ATOM 2399 CG2 VAL A 154 5.333 -4.319 7.459 1.00 64.11 C ATOM 0 H VAL A 154 6.852 -5.857 8.964 1.00 44.43 H new ATOM 0 HA VAL A 154 7.404 -3.137 8.886 1.00 62.10 H new ATOM 0 HB VAL A 154 4.788 -4.585 9.486 1.00 35.54 H new ATOM 0 HG11 VAL A 154 3.675 -2.580 8.601 1.00 65.22 H new ATOM 0 HG12 VAL A 154 4.629 -2.234 10.063 1.00 65.22 H new ATOM 0 HG13 VAL A 154 5.258 -1.780 8.461 1.00 65.22 H new ATOM 0 HG21 VAL A 154 4.307 -4.335 7.092 1.00 64.11 H new ATOM 0 HG22 VAL A 154 5.925 -3.634 6.852 1.00 64.11 H new ATOM 0 HG23 VAL A 154 5.757 -5.321 7.393 1.00 64.11 H new ATOM 2409 N LYS A 155 6.535 -4.273 11.832 1.00 51.23 N ATOM 2410 CA LYS A 155 6.396 -4.030 13.236 1.00 43.24 C ATOM 2411 C LYS A 155 7.519 -3.116 13.764 1.00 3.31 C ATOM 2412 O LYS A 155 7.272 -2.200 14.549 1.00 12.35 O ATOM 2413 CB LYS A 155 6.497 -5.381 13.912 1.00 24.01 C ATOM 2414 CG LYS A 155 6.111 -5.401 15.344 1.00 43.40 C ATOM 2415 CD LYS A 155 4.667 -5.043 15.477 1.00 64.24 C ATOM 2416 CE LYS A 155 4.207 -5.200 16.873 1.00 50.30 C ATOM 2417 NZ LYS A 155 4.930 -4.319 17.807 1.00 13.02 N ATOM 0 H LYS A 155 6.488 -5.263 11.592 1.00 51.23 H new ATOM 0 HA LYS A 155 5.448 -3.532 13.440 1.00 43.24 H new ATOM 0 HB2 LYS A 155 5.866 -6.088 13.372 1.00 24.01 H new ATOM 0 HB3 LYS A 155 7.523 -5.738 13.824 1.00 24.01 H new ATOM 0 HG2 LYS A 155 6.292 -6.389 15.766 1.00 43.40 H new ATOM 0 HG3 LYS A 155 6.724 -4.697 15.907 1.00 43.40 H new ATOM 0 HD2 LYS A 155 4.513 -4.014 15.154 1.00 64.24 H new ATOM 0 HD3 LYS A 155 4.070 -5.676 14.821 1.00 64.24 H new ATOM 0 HE2 LYS A 155 3.140 -4.984 16.927 1.00 50.30 H new ATOM 0 HE3 LYS A 155 4.339 -6.237 17.181 1.00 50.30 H new ATOM 0 HZ1 LYS A 155 4.463 -4.340 18.736 1.00 13.02 H new ATOM 0 HZ2 LYS A 155 5.911 -4.649 17.906 1.00 13.02 H new ATOM 0 HZ3 LYS A 155 4.927 -3.346 17.439 1.00 13.02 H new ATOM 2431 N ASN A 156 8.733 -3.377 13.347 1.00 1.43 N ATOM 2432 CA ASN A 156 9.867 -2.562 13.772 1.00 4.31 C ATOM 2433 C ASN A 156 10.425 -1.718 12.653 1.00 33.43 C ATOM 2434 O ASN A 156 10.861 -0.595 12.866 1.00 20.53 O ATOM 2435 CB ASN A 156 10.968 -3.407 14.380 1.00 62.43 C ATOM 2436 CG ASN A 156 10.572 -4.039 15.707 1.00 51.34 C ATOM 2437 OD1 ASN A 156 10.787 -3.459 16.758 1.00 43.54 O ATOM 2438 ND2 ASN A 156 9.991 -5.218 15.671 1.00 60.44 N ATOM 0 H ASN A 156 8.971 -4.142 12.716 1.00 1.43 H new ATOM 0 HA ASN A 156 9.480 -1.888 14.537 1.00 4.31 H new ATOM 0 HB2 ASN A 156 11.244 -4.194 13.678 1.00 62.43 H new ATOM 0 HB3 ASN A 156 11.853 -2.788 14.529 1.00 62.43 H new ATOM 0 HD21 ASN A 156 9.706 -5.673 16.538 1.00 60.44 H new ATOM 0 HD22 ASN A 156 9.825 -5.678 14.776 1.00 60.44 H new ATOM 2445 N GLY A 157 10.404 -2.251 11.461 1.00 74.12 N ATOM 2446 CA GLY A 157 11.003 -1.567 10.354 1.00 42.32 C ATOM 2447 C GLY A 157 12.344 -2.153 10.020 1.00 70.22 C ATOM 2448 O GLY A 157 13.377 -1.522 10.249 1.00 50.23 O ATOM 0 H GLY A 157 9.981 -3.151 11.235 1.00 74.12 H new ATOM 0 HA2 GLY A 157 10.348 -1.631 9.485 1.00 42.32 H new ATOM 0 HA3 GLY A 157 11.114 -0.509 10.593 1.00 42.32 H new