USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 785 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 NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 205 ZNZN :(H bumps) USER MOD NoAdj-H: A 120 HIS HE2 : A 120 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD NoAdj-H: A 125 HIS HE2 : A 125 HIS NE2 : A 305 ZNZN :(H bumps) USER MOD Set 1.1: A 108 ASN : amide:sc= 0.0156 K(o=0.54,f=-1.8) USER MOD Set 1.2: A 137 LYS NZ :NH3+ -112:sc= 0.0637 (180deg=0) USER MOD Set 1.3: A 140 ASN : amide:sc= 0.465 X(o=0.54,f=0.5) USER MOD Set 2.1: A 76 THR OG1 : rot 105:sc= 1.02 USER MOD Set 2.2: A 112 LYS NZ :NH3+ 167:sc= 1.21 (180deg=-0.0329) USER MOD Set 3.1: A 72 CYS SG : rot 140:sc= -1.87! USER MOD Set 3.2: A 75 CYS SG : rot -90:sc= -6.24! USER MOD Set 3.3: A 93 HIS : no HE2:sc= -4.89! K(o=-13!,f=-16) USER MOD Set 4.1: A -4 HIS : no HE2:sc= -1.61 K(o=-1.6,f=-2.9!) USER MOD Set 4.2: A 62 GLN : amide:sc= 0 X(o=-1.6,f=-1.8) USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -3 HIS : no HD1:sc= -0.115 K(o=-0.11,f=-0.67) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ -174:sc= 0 (180deg=-0.0443) USER MOD Single : A 60 ASN : amide:sc= 0.526 K(o=0.53,f=-3.7!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 ASN : amide:sc= -2.15! X(o=-2.2!,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 0.968 (180deg=0.813) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0654 (180deg=-0.264) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 78 GLN : amide:sc= -2.59 K(o=-2.6,f=-10!) USER MOD Single : A 79 THR OG1 : rot 150:sc= 0.00139 USER MOD Single : A 83 ASN : amide:sc= -0.996 K(o=-1,f=0) USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0627 (180deg=-0.37) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 99 ASN : amide:sc=-0.00497 K(o=-0.005,f=-0.65) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 80:sc= -1.65! USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 CYS SG : rot -164:sc= -6.41! USER MOD Single : A 107 CYS SG : rot 44:sc= -5.32! USER MOD Single : A 111 THR OG1 : rot 70:sc= 0.897 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -3.94! C(o=-3.9!,f=-7.4!) USER MOD Single : A 123 LYS NZ :NH3+ 157:sc= 0.722 (180deg=0.372) USER MOD Single : A 124 TYR OH : rot -151:sc= -2.44! USER MOD Single : A 130 ASN : amide:sc= -3.56! K(o=-3.6!,f=-0.52) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -169:sc= 0 (180deg=-0.144) USER MOD Single : A 139 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 141 GLN : amide:sc= -0.895 X(o=-0.9,f=-0.41) USER MOD Single : A 142 THR OG1 : rot 41:sc= 0.0947 USER MOD Single : A 146 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.52) USER MOD Single : A 147 THR OG1 : rot -149:sc= -2.27! USER MOD Single : A 149 ASN : amide:sc= -4.86! C(o=-4.9!,f=-3.4!) USER MOD Single : A 152 THR OG1 : rot -82:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 -14.226 13.775 17.296 1.00 25.35 N ATOM 2 CA MET A -8 -14.655 12.387 17.182 1.00 21.13 C ATOM 3 C MET A -8 -16.161 12.312 17.050 1.00 52.12 C ATOM 4 O MET A -8 -16.874 12.119 18.038 1.00 54.34 O ATOM 5 CB MET A -8 -14.177 11.542 18.369 1.00 13.12 C ATOM 6 CG MET A -8 -12.672 11.368 18.455 1.00 24.21 C ATOM 7 SD MET A -8 -11.995 10.465 17.045 1.00 15.32 S ATOM 8 CE MET A -8 -10.248 10.468 17.463 1.00 40.45 C ATOM 0 H1 MET A -8 -13.187 13.819 17.284 1.00 25.35 H new ATOM 0 H2 MET A -8 -14.606 14.322 16.497 1.00 25.35 H new ATOM 0 H3 MET A -8 -14.579 14.175 18.189 1.00 25.35 H new ATOM 0 HA MET A -8 -14.198 11.973 16.283 1.00 21.13 H new ATOM 0 HB2 MET A -8 -14.530 12.003 19.292 1.00 13.12 H new ATOM 0 HB3 MET A -8 -14.640 10.557 18.307 1.00 13.12 H new ATOM 0 HG2 MET A -8 -12.200 12.348 18.514 1.00 24.21 H new ATOM 0 HG3 MET A -8 -12.423 10.838 19.374 1.00 24.21 H new ATOM 0 HE1 MET A -8 -9.687 9.946 16.688 1.00 40.45 H new ATOM 0 HE2 MET A -8 -9.893 11.496 17.537 1.00 40.45 H new ATOM 0 HE3 MET A -8 -10.102 9.964 18.418 1.00 40.45 H new ATOM 17 N ALA A -7 -16.644 12.518 15.844 1.00 22.32 N ATOM 18 CA ALA A -7 -18.056 12.479 15.531 1.00 72.43 C ATOM 19 C ALA A -7 -18.190 12.361 14.040 1.00 12.34 C ATOM 20 O ALA A -7 -17.204 12.621 13.321 1.00 41.41 O ATOM 21 CB ALA A -7 -18.762 13.745 16.014 1.00 32.04 C ATOM 0 H ALA A -7 -16.054 12.721 15.037 1.00 22.32 H new ATOM 0 HA ALA A -7 -18.520 11.630 16.034 1.00 72.43 H new ATOM 0 HB1 ALA A -7 -19.822 13.688 15.765 1.00 32.04 H new ATOM 0 HB2 ALA A -7 -18.647 13.836 17.094 1.00 32.04 H new ATOM 0 HB3 ALA A -7 -18.321 14.615 15.528 1.00 32.04 H new ATOM 27 N HIS A -6 -19.374 11.947 13.578 1.00 31.02 N ATOM 28 CA HIS A -6 -19.702 11.786 12.147 1.00 22.02 C ATOM 29 C HIS A -6 -19.005 10.554 11.561 1.00 62.41 C ATOM 30 O HIS A -6 -19.671 9.598 11.163 1.00 43.34 O ATOM 31 CB HIS A -6 -19.390 13.090 11.346 1.00 65.30 C ATOM 32 CG HIS A -6 -19.710 13.071 9.870 1.00 45.11 C ATOM 33 ND1 HIS A -6 -20.846 13.622 9.319 1.00 54.24 N ATOM 34 CD2 HIS A -6 -18.978 12.617 8.825 1.00 74.33 C ATOM 35 CE1 HIS A -6 -20.777 13.493 7.993 1.00 24.24 C ATOM 36 NE2 HIS A -6 -19.655 12.888 7.637 1.00 41.14 N ATOM 0 H HIS A -6 -20.150 11.708 14.195 1.00 31.02 H new ATOM 0 HA HIS A -6 -20.775 11.615 12.057 1.00 22.02 H new ATOM 0 HB2 HIS A -6 -19.942 13.911 11.804 1.00 65.30 H new ATOM 0 HB3 HIS A -6 -18.330 13.315 11.462 1.00 65.30 H new ATOM 0 HD2 HIS A -6 -18.021 12.123 8.900 1.00 74.33 H new ATOM 0 HE1 HIS A -6 -21.534 13.836 7.303 1.00 24.24 H new ATOM 0 HE2 HIS A -6 -19.349 12.666 6.690 1.00 41.14 H new ATOM 44 N HIS A -5 -17.673 10.582 11.567 1.00 62.10 N ATOM 45 CA HIS A -5 -16.804 9.522 11.048 1.00 4.15 C ATOM 46 C HIS A -5 -16.884 9.401 9.534 1.00 41.01 C ATOM 47 O HIS A -5 -17.969 9.463 8.941 1.00 52.22 O ATOM 48 CB HIS A -5 -16.973 8.180 11.792 1.00 52.54 C ATOM 49 CG HIS A -5 -16.590 8.278 13.250 1.00 54.54 C ATOM 50 ND1 HIS A -5 -15.326 8.024 13.737 1.00 24.35 N ATOM 51 CD2 HIS A -5 -17.330 8.649 14.323 1.00 54.02 C ATOM 52 CE1 HIS A -5 -15.335 8.246 15.052 1.00 13.11 C ATOM 53 NE2 HIS A -5 -16.530 8.631 15.466 1.00 14.31 N ATOM 0 H HIS A -5 -17.149 11.371 11.946 1.00 62.10 H new ATOM 0 HA HIS A -5 -15.780 9.828 11.264 1.00 4.15 H new ATOM 0 HB2 HIS A -5 -18.009 7.852 11.713 1.00 52.54 H new ATOM 0 HB3 HIS A -5 -16.360 7.420 11.308 1.00 52.54 H new ATOM 0 HD2 HIS A -5 -18.376 8.917 14.297 1.00 54.02 H new ATOM 0 HE1 HIS A -5 -14.476 8.127 15.696 1.00 13.11 H new ATOM 0 HE2 HIS A -5 -16.808 8.865 16.419 1.00 14.31 H new ATOM 61 N HIS A -4 -15.723 9.220 8.929 1.00 12.04 N ATOM 62 CA HIS A -4 -15.513 9.308 7.491 1.00 61.21 C ATOM 63 C HIS A -4 -15.694 10.773 7.156 1.00 5.54 C ATOM 64 O HIS A -4 -16.759 11.240 6.750 1.00 72.15 O ATOM 65 CB HIS A -4 -16.432 8.370 6.673 1.00 1.34 C ATOM 66 CG HIS A -4 -16.053 8.216 5.232 1.00 64.32 C ATOM 67 ND1 HIS A -4 -15.294 7.170 4.755 1.00 23.34 N ATOM 68 CD2 HIS A -4 -16.373 8.965 4.152 1.00 70.31 C ATOM 69 CE1 HIS A -4 -15.178 7.307 3.437 1.00 54.32 C ATOM 70 NE2 HIS A -4 -15.821 8.384 3.016 1.00 32.40 N ATOM 0 H HIS A -4 -14.869 9.000 9.442 1.00 12.04 H new ATOM 0 HA HIS A -4 -14.518 8.959 7.215 1.00 61.21 H new ATOM 0 HB2 HIS A -4 -16.431 7.386 7.141 1.00 1.34 H new ATOM 0 HB3 HIS A -4 -17.453 8.748 6.727 1.00 1.34 H new ATOM 0 HD1 HIS A -4 -14.890 6.420 5.316 1.00 23.34 H new ATOM 0 HD2 HIS A -4 -16.963 9.870 4.169 1.00 70.31 H new ATOM 0 HE1 HIS A -4 -14.632 6.630 2.797 1.00 54.32 H new ATOM 78 N HIS A -3 -14.645 11.486 7.426 1.00 35.43 N ATOM 79 CA HIS A -3 -14.631 12.926 7.476 1.00 51.34 C ATOM 80 C HIS A -3 -14.353 13.514 6.104 1.00 33.33 C ATOM 81 O HIS A -3 -14.361 12.806 5.106 1.00 61.31 O ATOM 82 CB HIS A -3 -13.547 13.360 8.485 1.00 1.50 C ATOM 83 CG HIS A -3 -13.669 12.684 9.832 1.00 22.22 C ATOM 84 ND1 HIS A -3 -12.738 11.792 10.335 1.00 10.21 N ATOM 85 CD2 HIS A -3 -14.649 12.761 10.763 1.00 4.21 C ATOM 86 CE1 HIS A -3 -13.173 11.363 11.519 1.00 53.15 C ATOM 87 NE2 HIS A -3 -14.333 11.921 11.832 1.00 13.32 N ATOM 0 H HIS A -3 -13.736 11.070 7.627 1.00 35.43 H new ATOM 0 HA HIS A -3 -15.607 13.295 7.793 1.00 51.34 H new ATOM 0 HB2 HIS A -3 -12.565 13.142 8.066 1.00 1.50 H new ATOM 0 HB3 HIS A -3 -13.602 14.440 8.623 1.00 1.50 H new ATOM 0 HD2 HIS A -3 -15.535 13.375 10.690 1.00 4.21 H new ATOM 0 HE1 HIS A -3 -12.649 10.653 12.142 1.00 53.15 H new ATOM 0 HE2 HIS A -3 -14.881 11.768 12.678 1.00 13.32 H new ATOM 95 N HIS A -2 -14.079 14.803 6.055 1.00 3.24 N ATOM 96 CA HIS A -2 -13.803 15.466 4.791 1.00 75.11 C ATOM 97 C HIS A -2 -12.358 15.165 4.371 1.00 0.41 C ATOM 98 O HIS A -2 -11.934 15.434 3.247 1.00 74.53 O ATOM 99 CB HIS A -2 -14.084 16.980 4.890 1.00 72.34 C ATOM 100 CG HIS A -2 -14.089 17.690 3.569 1.00 22.15 C ATOM 101 ND1 HIS A -2 -15.066 17.520 2.615 1.00 11.44 N ATOM 102 CD2 HIS A -2 -13.200 18.559 3.041 1.00 70.33 C ATOM 103 CE1 HIS A -2 -14.746 18.263 1.561 1.00 4.11 C ATOM 104 NE2 HIS A -2 -13.618 18.919 1.767 1.00 75.31 N ATOM 0 H HIS A -2 -14.041 15.412 6.872 1.00 3.24 H new ATOM 0 HA HIS A -2 -14.469 15.081 4.019 1.00 75.11 H new ATOM 0 HB2 HIS A -2 -15.049 17.128 5.374 1.00 72.34 H new ATOM 0 HB3 HIS A -2 -13.332 17.437 5.533 1.00 72.34 H new ATOM 0 HD2 HIS A -2 -12.307 18.917 3.531 1.00 70.33 H new ATOM 0 HE1 HIS A -2 -15.331 18.323 0.655 1.00 4.11 H new ATOM 0 HE2 HIS A -2 -13.151 19.558 1.123 1.00 75.31 H new ATOM 112 N HIS A -1 -11.606 14.585 5.297 1.00 34.13 N ATOM 113 CA HIS A -1 -10.256 14.091 5.024 1.00 53.53 C ATOM 114 C HIS A -1 -10.310 12.687 4.439 1.00 51.14 C ATOM 115 O HIS A -1 -9.301 11.987 4.358 1.00 41.33 O ATOM 116 CB HIS A -1 -9.364 14.115 6.273 1.00 10.22 C ATOM 117 CG HIS A -1 -8.742 15.447 6.556 1.00 21.14 C ATOM 118 ND1 HIS A -1 -7.538 15.840 6.023 1.00 64.13 N ATOM 119 CD2 HIS A -1 -9.160 16.476 7.332 1.00 45.24 C ATOM 120 CE1 HIS A -1 -7.255 17.058 6.473 1.00 12.01 C ATOM 121 NE2 HIS A -1 -8.213 17.502 7.277 1.00 63.53 N ATOM 0 H HIS A -1 -11.911 14.442 6.260 1.00 34.13 H new ATOM 0 HA HIS A -1 -9.809 14.766 4.294 1.00 53.53 H new ATOM 0 HB2 HIS A -1 -9.958 13.813 7.136 1.00 10.22 H new ATOM 0 HB3 HIS A -1 -8.573 13.375 6.155 1.00 10.22 H new ATOM 0 HD2 HIS A -1 -10.077 16.499 7.901 1.00 45.24 H new ATOM 0 HE1 HIS A -1 -6.364 17.613 6.218 1.00 12.01 H new ATOM 0 HE2 HIS A -1 -8.250 18.403 7.754 1.00 63.53 H new ATOM 129 N ASN A 60 -11.490 12.290 4.046 1.00 40.11 N ATOM 130 CA ASN A 60 -11.732 11.029 3.403 1.00 35.20 C ATOM 131 C ASN A 60 -12.274 11.302 2.015 1.00 4.01 C ATOM 132 O ASN A 60 -13.329 11.932 1.863 1.00 33.24 O ATOM 133 CB ASN A 60 -12.740 10.191 4.214 1.00 63.21 C ATOM 134 CG ASN A 60 -12.190 9.695 5.540 1.00 71.02 C ATOM 135 OD1 ASN A 60 -12.272 10.378 6.576 1.00 44.43 O ATOM 136 ND2 ASN A 60 -11.658 8.512 5.539 1.00 43.34 N ATOM 0 H ASN A 60 -12.333 12.852 4.168 1.00 40.11 H new ATOM 0 HA ASN A 60 -10.803 10.462 3.339 1.00 35.20 H new ATOM 0 HB2 ASN A 60 -13.631 10.791 4.401 1.00 63.21 H new ATOM 0 HB3 ASN A 60 -13.052 9.335 3.616 1.00 63.21 H new ATOM 0 HD21 ASN A 60 -11.292 8.117 6.405 1.00 43.34 H new ATOM 0 HD22 ASN A 60 -11.606 7.977 4.672 1.00 43.34 H new ATOM 143 N GLN A 61 -11.543 10.882 1.001 1.00 31.12 N ATOM 144 CA GLN A 61 -11.954 11.102 -0.382 1.00 12.21 C ATOM 145 C GLN A 61 -12.782 9.932 -0.875 1.00 60.11 C ATOM 146 O GLN A 61 -13.357 10.004 -1.974 1.00 4.11 O ATOM 147 CB GLN A 61 -10.740 11.224 -1.315 1.00 61.34 C ATOM 148 CG GLN A 61 -9.734 12.305 -0.978 1.00 14.21 C ATOM 149 CD GLN A 61 -8.538 12.283 -1.928 1.00 3.35 C ATOM 150 OE1 GLN A 61 -8.650 11.900 -3.108 1.00 42.31 O ATOM 151 NE2 GLN A 61 -7.402 12.701 -1.454 1.00 13.13 N ATOM 0 H GLN A 61 -10.658 10.385 1.104 1.00 31.12 H new ATOM 0 HA GLN A 61 -12.531 12.027 -0.398 1.00 12.21 H new ATOM 0 HB2 GLN A 61 -10.220 10.266 -1.326 1.00 61.34 H new ATOM 0 HB3 GLN A 61 -11.104 11.400 -2.327 1.00 61.34 H new ATOM 0 HG2 GLN A 61 -10.219 13.280 -1.026 1.00 14.21 H new ATOM 0 HG3 GLN A 61 -9.387 12.172 0.047 1.00 14.21 H new ATOM 0 HE21 GLN A 61 -7.337 13.009 -0.484 1.00 13.13 H new ATOM 0 HE22 GLN A 61 -6.576 12.721 -2.052 1.00 13.13 H new ATOM 160 N GLN A 62 -12.809 8.842 -0.068 1.00 74.43 N ATOM 161 CA GLN A 62 -13.454 7.543 -0.408 1.00 10.52 C ATOM 162 C GLN A 62 -13.023 7.112 -1.808 1.00 60.44 C ATOM 163 O GLN A 62 -13.798 6.580 -2.606 1.00 71.51 O ATOM 164 CB GLN A 62 -15.009 7.552 -0.212 1.00 71.15 C ATOM 165 CG GLN A 62 -15.817 8.518 -1.078 1.00 22.03 C ATOM 166 CD GLN A 62 -17.296 8.513 -0.740 1.00 44.45 C ATOM 167 OE1 GLN A 62 -17.692 8.282 0.404 1.00 43.10 O ATOM 168 NE2 GLN A 62 -18.119 8.759 -1.721 1.00 24.42 N ATOM 0 H GLN A 62 -12.376 8.838 0.855 1.00 74.43 H new ATOM 0 HA GLN A 62 -13.105 6.793 0.302 1.00 10.52 H new ATOM 0 HB2 GLN A 62 -15.378 6.543 -0.396 1.00 71.15 H new ATOM 0 HB3 GLN A 62 -15.216 7.781 0.833 1.00 71.15 H new ATOM 0 HG2 GLN A 62 -15.424 9.527 -0.953 1.00 22.03 H new ATOM 0 HG3 GLN A 62 -15.688 8.253 -2.127 1.00 22.03 H new ATOM 0 HE21 GLN A 62 -17.757 8.946 -2.656 1.00 24.42 H new ATOM 0 HE22 GLN A 62 -19.125 8.764 -1.553 1.00 24.42 H new ATOM 177 N ASN A 63 -11.756 7.317 -2.064 1.00 32.11 N ATOM 178 CA ASN A 63 -11.170 7.149 -3.367 1.00 64.55 C ATOM 179 C ASN A 63 -10.381 5.860 -3.427 1.00 53.31 C ATOM 180 O ASN A 63 -9.806 5.426 -2.425 1.00 41.20 O ATOM 181 CB ASN A 63 -10.287 8.380 -3.645 1.00 73.33 C ATOM 182 CG ASN A 63 -9.583 8.405 -4.989 1.00 53.23 C ATOM 183 OD1 ASN A 63 -10.025 7.804 -5.970 1.00 31.42 O ATOM 184 ND2 ASN A 63 -8.500 9.137 -5.047 1.00 13.43 N ATOM 0 H ASN A 63 -11.087 7.613 -1.353 1.00 32.11 H new ATOM 0 HA ASN A 63 -11.940 7.078 -4.135 1.00 64.55 H new ATOM 0 HB2 ASN A 63 -10.908 9.273 -3.566 1.00 73.33 H new ATOM 0 HB3 ASN A 63 -9.533 8.446 -2.861 1.00 73.33 H new ATOM 0 HD21 ASN A 63 -7.990 9.225 -5.926 1.00 13.43 H new ATOM 0 HD22 ASN A 63 -8.165 9.620 -4.213 1.00 13.43 H new ATOM 191 N LYS A 64 -10.389 5.226 -4.588 1.00 33.21 N ATOM 192 CA LYS A 64 -9.664 3.985 -4.779 1.00 31.12 C ATOM 193 C LYS A 64 -8.196 4.262 -4.936 1.00 31.22 C ATOM 194 O LYS A 64 -7.372 3.420 -4.628 1.00 74.43 O ATOM 195 CB LYS A 64 -10.179 3.211 -5.985 1.00 63.50 C ATOM 196 CG LYS A 64 -11.625 2.790 -5.872 1.00 35.41 C ATOM 197 CD LYS A 64 -12.049 1.959 -7.060 1.00 33.33 C ATOM 198 CE LYS A 64 -13.486 1.510 -6.918 1.00 24.41 C ATOM 199 NZ LYS A 64 -13.910 0.652 -8.039 1.00 11.53 N ATOM 0 H LYS A 64 -10.892 5.553 -5.413 1.00 33.21 H new ATOM 0 HA LYS A 64 -9.825 3.369 -3.894 1.00 31.12 H new ATOM 0 HB2 LYS A 64 -10.059 3.826 -6.877 1.00 63.50 H new ATOM 0 HB3 LYS A 64 -9.562 2.323 -6.124 1.00 63.50 H new ATOM 0 HG2 LYS A 64 -11.769 2.218 -4.955 1.00 35.41 H new ATOM 0 HG3 LYS A 64 -12.259 3.674 -5.799 1.00 35.41 H new ATOM 0 HD2 LYS A 64 -11.934 2.540 -7.975 1.00 33.33 H new ATOM 0 HD3 LYS A 64 -11.399 1.089 -7.151 1.00 33.33 H new ATOM 0 HE2 LYS A 64 -13.605 0.967 -5.981 1.00 24.41 H new ATOM 0 HE3 LYS A 64 -14.135 2.384 -6.865 1.00 24.41 H new ATOM 0 HZ1 LYS A 64 -14.901 0.367 -7.902 1.00 11.53 H new ATOM 0 HZ2 LYS A 64 -13.821 1.178 -8.932 1.00 11.53 H new ATOM 0 HZ3 LYS A 64 -13.308 -0.195 -8.075 1.00 11.53 H new ATOM 213 N LYS A 65 -7.881 5.438 -5.452 1.00 41.21 N ATOM 214 CA LYS A 65 -6.513 5.873 -5.572 1.00 13.30 C ATOM 215 C LYS A 65 -6.014 6.263 -4.199 1.00 73.34 C ATOM 216 O LYS A 65 -6.673 7.058 -3.516 1.00 2.01 O ATOM 217 CB LYS A 65 -6.397 7.061 -6.559 1.00 44.02 C ATOM 218 CG LYS A 65 -5.037 7.775 -6.557 1.00 14.43 C ATOM 219 CD LYS A 65 -3.905 6.857 -6.978 1.00 33.22 C ATOM 220 CE LYS A 65 -2.546 7.497 -6.738 1.00 20.22 C ATOM 221 NZ LYS A 65 -2.304 8.693 -7.558 1.00 0.21 N ATOM 0 H LYS A 65 -8.567 6.110 -5.796 1.00 41.21 H new ATOM 0 HA LYS A 65 -5.902 5.062 -5.969 1.00 13.30 H new ATOM 0 HB2 LYS A 65 -6.598 6.698 -7.567 1.00 44.02 H new ATOM 0 HB3 LYS A 65 -7.173 7.789 -6.321 1.00 44.02 H new ATOM 0 HG2 LYS A 65 -5.077 8.631 -7.231 1.00 14.43 H new ATOM 0 HG3 LYS A 65 -4.835 8.164 -5.559 1.00 14.43 H new ATOM 0 HD2 LYS A 65 -3.970 5.921 -6.424 1.00 33.22 H new ATOM 0 HD3 LYS A 65 -4.010 6.610 -8.034 1.00 33.22 H new ATOM 0 HE2 LYS A 65 -2.462 7.766 -5.685 1.00 20.22 H new ATOM 0 HE3 LYS A 65 -1.767 6.763 -6.943 1.00 20.22 H new ATOM 0 HZ1 LYS A 65 -1.482 9.209 -7.185 1.00 0.21 H new ATOM 0 HZ2 LYS A 65 -2.118 8.408 -8.541 1.00 0.21 H new ATOM 0 HZ3 LYS A 65 -3.141 9.309 -7.529 1.00 0.21 H new ATOM 235 N VAL A 66 -4.882 5.663 -3.808 1.00 60.13 N ATOM 236 CA VAL A 66 -4.207 5.877 -2.536 1.00 2.45 C ATOM 237 C VAL A 66 -4.329 7.370 -2.062 1.00 73.30 C ATOM 238 O VAL A 66 -3.949 8.318 -2.772 1.00 40.15 O ATOM 239 CB VAL A 66 -2.695 5.409 -2.628 1.00 70.30 C ATOM 240 CG1 VAL A 66 -1.759 6.469 -3.166 1.00 23.21 C ATOM 241 CG2 VAL A 66 -2.208 4.849 -1.321 1.00 10.25 C ATOM 0 H VAL A 66 -4.397 4.988 -4.399 1.00 60.13 H new ATOM 0 HA VAL A 66 -4.702 5.267 -1.780 1.00 2.45 H new ATOM 0 HB VAL A 66 -2.681 4.606 -3.365 1.00 70.30 H new ATOM 0 HG11 VAL A 66 -0.743 6.075 -3.199 1.00 23.21 H new ATOM 0 HG12 VAL A 66 -2.071 6.754 -4.171 1.00 23.21 H new ATOM 0 HG13 VAL A 66 -1.788 7.343 -2.516 1.00 23.21 H new ATOM 0 HG21 VAL A 66 -1.168 4.539 -1.423 1.00 10.25 H new ATOM 0 HG22 VAL A 66 -2.285 5.612 -0.547 1.00 10.25 H new ATOM 0 HG23 VAL A 66 -2.818 3.989 -1.044 1.00 10.25 H new ATOM 251 N GLU A 67 -4.961 7.575 -0.928 1.00 54.34 N ATOM 252 CA GLU A 67 -5.175 8.923 -0.430 1.00 40.34 C ATOM 253 C GLU A 67 -4.099 9.311 0.536 1.00 62.11 C ATOM 254 O GLU A 67 -3.217 10.066 0.189 1.00 44.43 O ATOM 255 CB GLU A 67 -6.520 9.048 0.239 1.00 51.54 C ATOM 256 CG GLU A 67 -7.676 8.555 -0.582 1.00 50.33 C ATOM 257 CD GLU A 67 -8.977 8.681 0.185 1.00 33.42 C ATOM 258 OE1 GLU A 67 -9.107 9.633 0.998 1.00 11.40 O ATOM 259 OE2 GLU A 67 -9.881 7.824 0.041 1.00 55.12 O ATOM 0 H GLU A 67 -5.335 6.835 -0.334 1.00 54.34 H new ATOM 0 HA GLU A 67 -5.145 9.596 -1.287 1.00 40.34 H new ATOM 0 HB2 GLU A 67 -6.497 8.495 1.178 1.00 51.54 H new ATOM 0 HB3 GLU A 67 -6.690 10.095 0.490 1.00 51.54 H new ATOM 0 HG2 GLU A 67 -7.739 9.126 -1.509 1.00 50.33 H new ATOM 0 HG3 GLU A 67 -7.512 7.514 -0.860 1.00 50.33 H new ATOM 266 N GLY A 68 -4.147 8.768 1.731 1.00 61.13 N ATOM 267 CA GLY A 68 -3.155 9.128 2.719 1.00 34.53 C ATOM 268 C GLY A 68 -2.896 8.028 3.697 1.00 61.23 C ATOM 269 O GLY A 68 -2.294 8.230 4.749 1.00 51.34 O ATOM 0 H GLY A 68 -4.845 8.091 2.039 1.00 61.13 H new ATOM 0 HA2 GLY A 68 -2.224 9.389 2.216 1.00 34.53 H new ATOM 0 HA3 GLY A 68 -3.487 10.016 3.256 1.00 34.53 H new ATOM 273 N GLY A 69 -3.341 6.869 3.356 1.00 63.23 N ATOM 274 CA GLY A 69 -3.146 5.753 4.215 1.00 50.01 C ATOM 275 C GLY A 69 -2.577 4.573 3.508 1.00 2.32 C ATOM 276 O GLY A 69 -1.838 4.715 2.546 1.00 52.13 O ATOM 0 H GLY A 69 -3.842 6.669 2.490 1.00 63.23 H new ATOM 0 HA2 GLY A 69 -2.480 6.039 5.029 1.00 50.01 H new ATOM 0 HA3 GLY A 69 -4.099 5.476 4.665 1.00 50.01 H new ATOM 280 N TYR A 70 -2.961 3.414 3.929 1.00 71.42 N ATOM 281 CA TYR A 70 -2.439 2.211 3.368 1.00 60.34 C ATOM 282 C TYR A 70 -3.494 1.527 2.544 1.00 71.14 C ATOM 283 O TYR A 70 -4.533 1.099 3.055 1.00 13.34 O ATOM 284 CB TYR A 70 -1.904 1.319 4.484 1.00 64.22 C ATOM 285 CG TYR A 70 -1.057 2.103 5.460 1.00 42.42 C ATOM 286 CD1 TYR A 70 0.093 2.763 5.041 1.00 2.13 C ATOM 287 CD2 TYR A 70 -1.444 2.241 6.781 1.00 41.12 C ATOM 288 CE1 TYR A 70 0.820 3.539 5.909 1.00 50.24 C ATOM 289 CE2 TYR A 70 -0.715 3.004 7.654 1.00 34.03 C ATOM 290 CZ TYR A 70 0.413 3.659 7.213 1.00 71.24 C ATOM 291 OH TYR A 70 1.133 4.444 8.076 1.00 42.02 O ATOM 0 H TYR A 70 -3.646 3.273 4.672 1.00 71.42 H new ATOM 0 HA TYR A 70 -1.608 2.438 2.700 1.00 60.34 H new ATOM 0 HB2 TYR A 70 -2.737 0.857 5.013 1.00 64.22 H new ATOM 0 HB3 TYR A 70 -1.312 0.511 4.054 1.00 64.22 H new ATOM 0 HD1 TYR A 70 0.419 2.663 4.016 1.00 2.13 H new ATOM 0 HD2 TYR A 70 -2.335 1.739 7.129 1.00 41.12 H new ATOM 0 HE1 TYR A 70 1.707 4.052 5.567 1.00 50.24 H new ATOM 0 HE2 TYR A 70 -1.024 3.092 8.685 1.00 34.03 H new ATOM 0 HH TYR A 70 0.714 4.426 8.962 1.00 42.02 H new ATOM 301 N GLU A 71 -3.258 1.547 1.264 1.00 42.31 N ATOM 302 CA GLU A 71 -4.079 0.911 0.271 1.00 22.53 C ATOM 303 C GLU A 71 -3.504 -0.472 0.077 1.00 72.42 C ATOM 304 O GLU A 71 -2.332 -0.592 -0.245 1.00 55.20 O ATOM 305 CB GLU A 71 -3.936 1.694 -1.037 1.00 34.43 C ATOM 306 CG GLU A 71 -4.688 1.134 -2.224 1.00 43.12 C ATOM 307 CD GLU A 71 -4.116 1.648 -3.534 1.00 61.12 C ATOM 308 OE1 GLU A 71 -4.524 2.717 -4.018 1.00 12.31 O ATOM 309 OE2 GLU A 71 -3.220 0.990 -4.094 1.00 63.43 O ATOM 0 H GLU A 71 -2.452 2.028 0.865 1.00 42.31 H new ATOM 0 HA GLU A 71 -5.128 0.873 0.564 1.00 22.53 H new ATOM 0 HB2 GLU A 71 -4.274 2.716 -0.866 1.00 34.43 H new ATOM 0 HB3 GLU A 71 -2.878 1.747 -1.293 1.00 34.43 H new ATOM 0 HG2 GLU A 71 -4.640 0.045 -2.206 1.00 43.12 H new ATOM 0 HG3 GLU A 71 -5.741 1.408 -2.152 1.00 43.12 H new ATOM 316 N CYS A 72 -4.280 -1.491 0.329 1.00 14.42 N ATOM 317 CA CYS A 72 -3.794 -2.843 0.151 1.00 74.50 C ATOM 318 C CYS A 72 -3.667 -3.217 -1.317 1.00 72.33 C ATOM 319 O CYS A 72 -4.403 -2.748 -2.173 1.00 14.30 O ATOM 320 CB CYS A 72 -4.715 -3.876 0.777 1.00 21.23 C ATOM 321 SG CYS A 72 -5.031 -3.768 2.580 1.00 65.21 S ATOM 0 H CYS A 72 -5.244 -1.419 0.655 1.00 14.42 H new ATOM 0 HA CYS A 72 -2.820 -2.852 0.640 1.00 74.50 H new ATOM 0 HB2 CYS A 72 -5.676 -3.820 0.266 1.00 21.23 H new ATOM 0 HB3 CYS A 72 -4.300 -4.862 0.569 1.00 21.23 H new ATOM 0 HG CYS A 72 -6.281 -4.033 2.818 1.00 65.21 H new ATOM 326 N LYS A 73 -2.749 -4.095 -1.570 1.00 13.55 N ATOM 327 CA LYS A 73 -2.585 -4.700 -2.845 1.00 1.43 C ATOM 328 C LYS A 73 -3.730 -5.674 -3.094 1.00 33.13 C ATOM 329 O LYS A 73 -4.202 -5.825 -4.218 1.00 23.32 O ATOM 330 CB LYS A 73 -1.206 -5.396 -2.857 1.00 53.25 C ATOM 331 CG LYS A 73 -0.822 -6.074 -4.153 1.00 73.40 C ATOM 332 CD LYS A 73 -1.395 -7.468 -4.256 1.00 51.32 C ATOM 333 CE LYS A 73 -1.084 -8.074 -5.584 1.00 72.00 C ATOM 334 NZ LYS A 73 -1.788 -7.401 -6.694 1.00 23.14 N ATOM 0 H LYS A 73 -2.077 -4.417 -0.874 1.00 13.55 H new ATOM 0 HA LYS A 73 -2.614 -3.965 -3.649 1.00 1.43 H new ATOM 0 HB2 LYS A 73 -0.444 -4.655 -2.617 1.00 53.25 H new ATOM 0 HB3 LYS A 73 -1.189 -6.140 -2.061 1.00 53.25 H new ATOM 0 HG2 LYS A 73 -1.173 -5.475 -4.993 1.00 73.40 H new ATOM 0 HG3 LYS A 73 0.264 -6.122 -4.228 1.00 73.40 H new ATOM 0 HD2 LYS A 73 -0.987 -8.093 -3.462 1.00 51.32 H new ATOM 0 HD3 LYS A 73 -2.475 -7.433 -4.111 1.00 51.32 H new ATOM 0 HE2 LYS A 73 -0.009 -8.026 -5.758 1.00 72.00 H new ATOM 0 HE3 LYS A 73 -1.358 -9.129 -5.571 1.00 72.00 H new ATOM 0 HZ1 LYS A 73 -1.762 -8.006 -7.539 1.00 23.14 H new ATOM 0 HZ2 LYS A 73 -2.777 -7.227 -6.423 1.00 23.14 H new ATOM 0 HZ3 LYS A 73 -1.322 -6.495 -6.902 1.00 23.14 H new ATOM 348 N TYR A 74 -4.233 -6.264 -2.021 1.00 2.32 N ATOM 349 CA TYR A 74 -5.199 -7.326 -2.142 1.00 72.14 C ATOM 350 C TYR A 74 -6.617 -6.841 -1.851 1.00 32.33 C ATOM 351 O TYR A 74 -7.552 -7.632 -1.814 1.00 35.31 O ATOM 352 CB TYR A 74 -4.848 -8.509 -1.227 1.00 63.23 C ATOM 353 CG TYR A 74 -3.485 -8.450 -0.533 1.00 60.25 C ATOM 354 CD1 TYR A 74 -2.315 -8.860 -1.162 1.00 1.43 C ATOM 355 CD2 TYR A 74 -3.395 -8.030 0.775 1.00 42.34 C ATOM 356 CE1 TYR A 74 -1.100 -8.847 -0.484 1.00 74.42 C ATOM 357 CE2 TYR A 74 -2.204 -8.004 1.452 1.00 44.52 C ATOM 358 CZ TYR A 74 -1.059 -8.414 0.829 1.00 73.24 C ATOM 359 OH TYR A 74 0.131 -8.413 1.528 1.00 61.05 O ATOM 0 H TYR A 74 -3.984 -6.021 -1.062 1.00 2.32 H new ATOM 0 HA TYR A 74 -5.163 -7.665 -3.177 1.00 72.14 H new ATOM 0 HB2 TYR A 74 -5.619 -8.589 -0.460 1.00 63.23 H new ATOM 0 HB3 TYR A 74 -4.891 -9.423 -1.819 1.00 63.23 H new ATOM 0 HD1 TYR A 74 -2.350 -9.193 -2.189 1.00 1.43 H new ATOM 0 HD2 TYR A 74 -4.292 -7.711 1.284 1.00 42.34 H new ATOM 0 HE1 TYR A 74 -0.197 -9.172 -0.979 1.00 74.42 H new ATOM 0 HE2 TYR A 74 -2.170 -7.660 2.475 1.00 44.52 H new ATOM 0 HH TYR A 74 -0.023 -8.077 2.436 1.00 61.05 H new ATOM 369 N CYS A 75 -6.772 -5.558 -1.635 1.00 2.11 N ATOM 370 CA CYS A 75 -8.076 -4.984 -1.424 1.00 51.20 C ATOM 371 C CYS A 75 -8.008 -3.514 -1.731 1.00 0.43 C ATOM 372 O CYS A 75 -7.138 -2.816 -1.222 1.00 33.20 O ATOM 373 CB CYS A 75 -8.629 -5.262 0.012 1.00 31.33 C ATOM 374 SG CYS A 75 -7.760 -4.462 1.453 1.00 53.24 S ATOM 0 H CYS A 75 -6.004 -4.888 -1.601 1.00 2.11 H new ATOM 0 HA CYS A 75 -8.786 -5.462 -2.099 1.00 51.20 H new ATOM 0 HB2 CYS A 75 -9.672 -4.948 0.035 1.00 31.33 H new ATOM 0 HB3 CYS A 75 -8.617 -6.340 0.172 1.00 31.33 H new ATOM 0 HG CYS A 75 -6.821 -5.250 1.886 1.00 53.24 H new ATOM 379 N THR A 76 -8.888 -3.042 -2.567 1.00 13.14 N ATOM 380 CA THR A 76 -8.874 -1.666 -2.943 1.00 53.34 C ATOM 381 C THR A 76 -9.683 -0.850 -1.928 1.00 53.15 C ATOM 382 O THR A 76 -10.786 -0.374 -2.197 1.00 60.43 O ATOM 383 CB THR A 76 -9.391 -1.491 -4.384 1.00 31.24 C ATOM 384 OG1 THR A 76 -8.703 -2.451 -5.222 1.00 54.21 O ATOM 385 CG2 THR A 76 -9.088 -0.093 -4.902 1.00 33.11 C ATOM 0 H THR A 76 -9.626 -3.597 -3.001 1.00 13.14 H new ATOM 0 HA THR A 76 -7.850 -1.292 -2.932 1.00 53.34 H new ATOM 0 HB THR A 76 -10.470 -1.643 -4.401 1.00 31.24 H new ATOM 0 HG1 THR A 76 -9.311 -3.188 -5.442 1.00 54.21 H new ATOM 0 HG21 THR A 76 -9.462 0.007 -5.921 1.00 33.11 H new ATOM 0 HG22 THR A 76 -9.574 0.645 -4.263 1.00 33.11 H new ATOM 0 HG23 THR A 76 -8.011 0.073 -4.894 1.00 33.11 H new ATOM 393 N PHE A 77 -9.154 -0.825 -0.738 1.00 25.35 N ATOM 394 CA PHE A 77 -9.677 -0.112 0.389 1.00 23.50 C ATOM 395 C PHE A 77 -8.486 0.401 1.133 1.00 1.31 C ATOM 396 O PHE A 77 -7.401 -0.213 1.071 1.00 44.10 O ATOM 397 CB PHE A 77 -10.522 -1.020 1.314 1.00 53.33 C ATOM 398 CG PHE A 77 -11.801 -1.535 0.702 1.00 74.10 C ATOM 399 CD1 PHE A 77 -12.933 -0.737 0.659 1.00 12.34 C ATOM 400 CD2 PHE A 77 -11.872 -2.816 0.178 1.00 33.25 C ATOM 401 CE1 PHE A 77 -14.107 -1.203 0.105 1.00 65.25 C ATOM 402 CE2 PHE A 77 -13.043 -3.289 -0.377 1.00 42.43 C ATOM 403 CZ PHE A 77 -14.162 -2.482 -0.414 1.00 0.35 C ATOM 0 H PHE A 77 -8.297 -1.332 -0.517 1.00 25.35 H new ATOM 0 HA PHE A 77 -10.340 0.687 0.056 1.00 23.50 H new ATOM 0 HB2 PHE A 77 -9.913 -1.871 1.618 1.00 53.33 H new ATOM 0 HB3 PHE A 77 -10.767 -0.464 2.219 1.00 53.33 H new ATOM 0 HD1 PHE A 77 -12.896 0.263 1.065 1.00 12.34 H new ATOM 0 HD2 PHE A 77 -11.000 -3.452 0.204 1.00 33.25 H new ATOM 0 HE1 PHE A 77 -14.981 -0.569 0.077 1.00 65.25 H new ATOM 0 HE2 PHE A 77 -13.084 -4.289 -0.782 1.00 42.43 H new ATOM 0 HZ PHE A 77 -15.080 -2.850 -0.848 1.00 0.35 H new ATOM 413 N GLN A 78 -8.642 1.487 1.814 1.00 32.15 N ATOM 414 CA GLN A 78 -7.533 2.093 2.465 1.00 32.32 C ATOM 415 C GLN A 78 -7.847 2.498 3.889 1.00 73.35 C ATOM 416 O GLN A 78 -8.983 2.849 4.215 1.00 50.45 O ATOM 417 CB GLN A 78 -7.047 3.306 1.659 1.00 42.33 C ATOM 418 CG GLN A 78 -6.033 4.145 2.391 1.00 34.32 C ATOM 419 CD GLN A 78 -5.411 5.184 1.550 1.00 53.05 C ATOM 420 OE1 GLN A 78 -5.861 6.293 1.465 1.00 3.41 O ATOM 421 NE2 GLN A 78 -4.332 4.839 0.978 1.00 40.43 N ATOM 0 H GLN A 78 -9.531 1.973 1.933 1.00 32.15 H new ATOM 0 HA GLN A 78 -6.740 1.347 2.515 1.00 32.32 H new ATOM 0 HB2 GLN A 78 -6.612 2.959 0.722 1.00 42.33 H new ATOM 0 HB3 GLN A 78 -7.904 3.928 1.401 1.00 42.33 H new ATOM 0 HG2 GLN A 78 -6.515 4.621 3.245 1.00 34.32 H new ATOM 0 HG3 GLN A 78 -5.253 3.495 2.787 1.00 34.32 H new ATOM 0 HE21 GLN A 78 -3.985 3.885 1.077 1.00 40.43 H new ATOM 0 HE22 GLN A 78 -3.812 5.516 0.420 1.00 40.43 H new ATOM 430 N THR A 79 -6.844 2.397 4.727 1.00 33.54 N ATOM 431 CA THR A 79 -6.897 2.914 6.051 1.00 65.31 C ATOM 432 C THR A 79 -5.507 3.456 6.399 1.00 63.01 C ATOM 433 O THR A 79 -4.506 2.791 6.170 1.00 42.32 O ATOM 434 CB THR A 79 -7.391 1.868 7.113 1.00 43.54 C ATOM 435 OG1 THR A 79 -7.439 2.477 8.416 1.00 44.14 O ATOM 436 CG2 THR A 79 -6.492 0.636 7.165 1.00 15.41 C ATOM 0 H THR A 79 -5.960 1.945 4.494 1.00 33.54 H new ATOM 0 HA THR A 79 -7.640 3.711 6.083 1.00 65.31 H new ATOM 0 HB THR A 79 -8.388 1.545 6.812 1.00 43.54 H new ATOM 0 HG1 THR A 79 -8.146 2.056 8.948 1.00 44.14 H new ATOM 0 HG21 THR A 79 -6.872 -0.060 7.913 1.00 15.41 H new ATOM 0 HG22 THR A 79 -6.483 0.151 6.189 1.00 15.41 H new ATOM 0 HG23 THR A 79 -5.478 0.936 7.430 1.00 15.41 H new ATOM 444 N PRO A 80 -5.411 4.730 6.790 1.00 32.34 N ATOM 445 CA PRO A 80 -4.155 5.328 7.259 1.00 72.33 C ATOM 446 C PRO A 80 -3.746 4.848 8.637 1.00 41.23 C ATOM 447 O PRO A 80 -2.694 5.218 9.139 1.00 72.10 O ATOM 448 CB PRO A 80 -4.438 6.830 7.267 1.00 53.14 C ATOM 449 CG PRO A 80 -5.911 6.934 7.372 1.00 43.44 C ATOM 450 CD PRO A 80 -6.482 5.718 6.696 1.00 3.41 C ATOM 0 HA PRO A 80 -3.321 5.048 6.615 1.00 72.33 H new ATOM 0 HB2 PRO A 80 -3.945 7.321 8.106 1.00 53.14 H new ATOM 0 HB3 PRO A 80 -4.071 7.307 6.358 1.00 53.14 H new ATOM 0 HG2 PRO A 80 -6.222 6.978 8.416 1.00 43.44 H new ATOM 0 HG3 PRO A 80 -6.269 7.846 6.894 1.00 43.44 H new ATOM 0 HD2 PRO A 80 -7.389 5.373 7.193 1.00 3.41 H new ATOM 0 HD3 PRO A 80 -6.746 5.924 5.659 1.00 3.41 H new ATOM 458 N ASP A 81 -4.568 4.028 9.238 1.00 62.52 N ATOM 459 CA ASP A 81 -4.267 3.463 10.523 1.00 50.14 C ATOM 460 C ASP A 81 -3.568 2.167 10.287 1.00 60.21 C ATOM 461 O ASP A 81 -4.187 1.219 9.801 1.00 32.35 O ATOM 462 CB ASP A 81 -5.538 3.191 11.335 1.00 73.33 C ATOM 463 CG ASP A 81 -6.348 4.416 11.652 1.00 53.51 C ATOM 464 OD1 ASP A 81 -7.115 4.886 10.782 1.00 65.24 O ATOM 465 OD2 ASP A 81 -6.267 4.924 12.778 1.00 42.54 O ATOM 0 H ASP A 81 -5.464 3.734 8.849 1.00 62.52 H new ATOM 0 HA ASP A 81 -3.653 4.166 11.086 1.00 50.14 H new ATOM 0 HB2 ASP A 81 -6.164 2.490 10.783 1.00 73.33 H new ATOM 0 HB3 ASP A 81 -5.260 2.703 12.269 1.00 73.33 H new ATOM 470 N LEU A 82 -2.283 2.122 10.583 1.00 3.22 N ATOM 471 CA LEU A 82 -1.474 0.940 10.408 1.00 10.03 C ATOM 472 C LEU A 82 -2.113 -0.216 11.161 1.00 34.25 C ATOM 473 O LEU A 82 -2.203 -1.308 10.636 1.00 33.43 O ATOM 474 CB LEU A 82 -0.048 1.198 10.934 1.00 11.22 C ATOM 475 CG LEU A 82 1.115 0.361 10.327 1.00 2.42 C ATOM 476 CD1 LEU A 82 0.872 -1.119 10.422 1.00 22.32 C ATOM 477 CD2 LEU A 82 1.344 0.747 8.897 1.00 35.12 C ATOM 0 H LEU A 82 -1.768 2.919 10.957 1.00 3.22 H new ATOM 0 HA LEU A 82 -1.412 0.690 9.349 1.00 10.03 H new ATOM 0 HB2 LEU A 82 0.181 2.252 10.776 1.00 11.22 H new ATOM 0 HB3 LEU A 82 -0.054 1.031 12.011 1.00 11.22 H new ATOM 0 HG LEU A 82 2.005 0.584 10.916 1.00 2.42 H new ATOM 0 HD11 LEU A 82 1.714 -1.655 9.984 1.00 22.32 H new ATOM 0 HD12 LEU A 82 0.766 -1.404 11.469 1.00 22.32 H new ATOM 0 HD13 LEU A 82 -0.040 -1.373 9.882 1.00 22.32 H new ATOM 0 HD21 LEU A 82 2.160 0.153 8.486 1.00 35.12 H new ATOM 0 HD22 LEU A 82 0.437 0.564 8.321 1.00 35.12 H new ATOM 0 HD23 LEU A 82 1.602 1.805 8.842 1.00 35.12 H new ATOM 489 N ASN A 83 -2.593 0.056 12.368 1.00 14.35 N ATOM 490 CA ASN A 83 -3.246 -0.934 13.204 1.00 65.03 C ATOM 491 C ASN A 83 -4.382 -1.576 12.458 1.00 23.03 C ATOM 492 O ASN A 83 -4.443 -2.781 12.344 1.00 44.10 O ATOM 493 CB ASN A 83 -3.810 -0.278 14.447 1.00 15.31 C ATOM 494 CG ASN A 83 -4.454 -1.242 15.414 1.00 14.32 C ATOM 495 OD1 ASN A 83 -5.346 -0.860 16.167 1.00 62.31 O ATOM 496 ND2 ASN A 83 -4.054 -2.467 15.397 1.00 31.41 N ATOM 0 H ASN A 83 -2.538 0.981 12.795 1.00 14.35 H new ATOM 0 HA ASN A 83 -2.506 -1.685 13.479 1.00 65.03 H new ATOM 0 HB2 ASN A 83 -3.008 0.253 14.960 1.00 15.31 H new ATOM 0 HB3 ASN A 83 -4.547 0.468 14.149 1.00 15.31 H new ATOM 0 HD21 ASN A 83 -4.481 -3.152 16.021 1.00 31.41 H new ATOM 0 HD22 ASN A 83 -3.311 -2.752 14.759 1.00 31.41 H new ATOM 503 N MET A 84 -5.232 -0.757 11.888 1.00 13.43 N ATOM 504 CA MET A 84 -6.409 -1.255 11.211 1.00 2.13 C ATOM 505 C MET A 84 -6.003 -1.912 9.924 1.00 45.04 C ATOM 506 O MET A 84 -6.644 -2.857 9.466 1.00 24.55 O ATOM 507 CB MET A 84 -7.413 -0.143 10.933 1.00 54.25 C ATOM 508 CG MET A 84 -7.836 0.629 12.164 1.00 0.43 C ATOM 509 SD MET A 84 -8.665 -0.387 13.421 1.00 53.30 S ATOM 510 CE MET A 84 -10.113 -0.954 12.521 1.00 62.31 C ATOM 0 H MET A 84 -5.133 0.258 11.878 1.00 13.43 H new ATOM 0 HA MET A 84 -6.894 -1.981 11.863 1.00 2.13 H new ATOM 0 HB2 MET A 84 -6.980 0.551 10.213 1.00 54.25 H new ATOM 0 HB3 MET A 84 -8.298 -0.575 10.466 1.00 54.25 H new ATOM 0 HG2 MET A 84 -6.956 1.094 12.609 1.00 0.43 H new ATOM 0 HG3 MET A 84 -8.505 1.435 11.863 1.00 0.43 H new ATOM 0 HE1 MET A 84 -10.842 -1.359 13.223 1.00 62.31 H new ATOM 0 HE2 MET A 84 -10.555 -0.118 11.980 1.00 62.31 H new ATOM 0 HE3 MET A 84 -9.821 -1.730 11.814 1.00 62.31 H new ATOM 520 N PHE A 85 -4.926 -1.413 9.345 1.00 31.40 N ATOM 521 CA PHE A 85 -4.396 -1.972 8.131 1.00 4.24 C ATOM 522 C PHE A 85 -3.899 -3.379 8.379 1.00 41.52 C ATOM 523 O PHE A 85 -4.420 -4.314 7.815 1.00 5.23 O ATOM 524 CB PHE A 85 -3.255 -1.084 7.587 1.00 63.43 C ATOM 525 CG PHE A 85 -2.467 -1.711 6.464 1.00 4.10 C ATOM 526 CD1 PHE A 85 -2.983 -1.776 5.179 1.00 12.31 C ATOM 527 CD2 PHE A 85 -1.202 -2.234 6.704 1.00 50.32 C ATOM 528 CE1 PHE A 85 -2.253 -2.347 4.155 1.00 72.44 C ATOM 529 CE2 PHE A 85 -0.472 -2.808 5.684 1.00 2.42 C ATOM 530 CZ PHE A 85 -0.998 -2.864 4.406 1.00 3.22 C ATOM 0 H PHE A 85 -4.403 -0.615 9.706 1.00 31.40 H new ATOM 0 HA PHE A 85 -5.190 -2.010 7.385 1.00 4.24 H new ATOM 0 HB2 PHE A 85 -3.678 -0.142 7.238 1.00 63.43 H new ATOM 0 HB3 PHE A 85 -2.575 -0.845 8.404 1.00 63.43 H new ATOM 0 HD1 PHE A 85 -3.966 -1.376 4.977 1.00 12.31 H new ATOM 0 HD2 PHE A 85 -0.786 -2.191 7.700 1.00 50.32 H new ATOM 0 HE1 PHE A 85 -2.664 -2.389 3.157 1.00 72.44 H new ATOM 0 HE2 PHE A 85 0.509 -3.213 5.883 1.00 2.42 H new ATOM 0 HZ PHE A 85 -0.428 -3.312 3.606 1.00 3.22 H new ATOM 540 N THR A 86 -3.009 -3.529 9.323 1.00 51.54 N ATOM 541 CA THR A 86 -2.413 -4.813 9.590 1.00 11.02 C ATOM 542 C THR A 86 -3.432 -5.759 10.195 1.00 34.14 C ATOM 543 O THR A 86 -3.342 -6.952 10.003 1.00 64.20 O ATOM 544 CB THR A 86 -1.124 -4.714 10.472 1.00 63.43 C ATOM 545 OG1 THR A 86 -0.547 -6.014 10.695 1.00 2.40 O ATOM 546 CG2 THR A 86 -1.421 -4.066 11.801 1.00 72.43 C ATOM 0 H THR A 86 -2.678 -2.774 9.924 1.00 51.54 H new ATOM 0 HA THR A 86 -2.090 -5.221 8.632 1.00 11.02 H new ATOM 0 HB THR A 86 -0.410 -4.096 9.928 1.00 63.43 H new ATOM 0 HG1 THR A 86 0.258 -5.924 11.247 1.00 2.40 H new ATOM 0 HG21 THR A 86 -0.506 -4.011 12.392 1.00 72.43 H new ATOM 0 HG22 THR A 86 -1.808 -3.060 11.637 1.00 72.43 H new ATOM 0 HG23 THR A 86 -2.164 -4.658 12.336 1.00 72.43 H new ATOM 554 N PHE A 87 -4.423 -5.211 10.876 1.00 65.21 N ATOM 555 CA PHE A 87 -5.469 -5.999 11.461 1.00 60.25 C ATOM 556 C PHE A 87 -6.382 -6.580 10.398 1.00 43.23 C ATOM 557 O PHE A 87 -6.596 -7.793 10.365 1.00 12.31 O ATOM 558 CB PHE A 87 -6.251 -5.189 12.507 1.00 33.10 C ATOM 559 CG PHE A 87 -7.561 -5.809 12.922 1.00 4.34 C ATOM 560 CD1 PHE A 87 -7.605 -7.087 13.461 1.00 53.40 C ATOM 561 CD2 PHE A 87 -8.742 -5.116 12.756 1.00 41.41 C ATOM 562 CE1 PHE A 87 -8.807 -7.655 13.831 1.00 61.34 C ATOM 563 CE2 PHE A 87 -9.947 -5.676 13.123 1.00 22.34 C ATOM 564 CZ PHE A 87 -9.981 -6.948 13.663 1.00 63.30 C ATOM 0 H PHE A 87 -4.516 -4.208 11.033 1.00 65.21 H new ATOM 0 HA PHE A 87 -5.007 -6.839 11.979 1.00 60.25 H new ATOM 0 HB2 PHE A 87 -5.627 -5.062 13.391 1.00 33.10 H new ATOM 0 HB3 PHE A 87 -6.444 -4.193 12.108 1.00 33.10 H new ATOM 0 HD1 PHE A 87 -6.689 -7.643 13.592 1.00 53.40 H new ATOM 0 HD2 PHE A 87 -8.722 -4.122 12.333 1.00 41.41 H new ATOM 0 HE1 PHE A 87 -8.829 -8.650 14.251 1.00 61.34 H new ATOM 0 HE2 PHE A 87 -10.864 -5.121 12.989 1.00 22.34 H new ATOM 0 HZ PHE A 87 -10.924 -7.388 13.953 1.00 63.30 H new ATOM 574 N HIS A 88 -6.891 -5.735 9.503 1.00 0.43 N ATOM 575 CA HIS A 88 -7.798 -6.227 8.481 1.00 0.30 C ATOM 576 C HIS A 88 -7.031 -7.118 7.514 1.00 62.43 C ATOM 577 O HIS A 88 -7.564 -8.057 6.967 1.00 64.44 O ATOM 578 CB HIS A 88 -8.582 -5.086 7.759 1.00 12.22 C ATOM 579 CG HIS A 88 -7.909 -4.408 6.582 1.00 1.44 C ATOM 580 ND1 HIS A 88 -7.369 -3.144 6.616 1.00 31.23 N ATOM 581 CD2 HIS A 88 -7.772 -4.841 5.305 1.00 53.44 C ATOM 582 CE1 HIS A 88 -6.937 -2.838 5.393 1.00 74.41 C ATOM 583 NE2 HIS A 88 -7.159 -3.860 4.531 1.00 35.32 N ATOM 0 H HIS A 88 -6.695 -4.735 9.467 1.00 0.43 H new ATOM 0 HA HIS A 88 -8.570 -6.824 8.967 1.00 0.30 H new ATOM 0 HB2 HIS A 88 -9.530 -5.497 7.413 1.00 12.22 H new ATOM 0 HB3 HIS A 88 -8.817 -4.320 8.498 1.00 12.22 H new ATOM 0 HD1 HIS A 88 -7.309 -2.543 7.438 1.00 31.23 H new ATOM 0 HD2 HIS A 88 -8.092 -5.806 4.941 1.00 53.44 H new ATOM 0 HE1 HIS A 88 -6.472 -1.901 5.125 1.00 74.41 H new ATOM 591 N VAL A 89 -5.751 -6.823 7.355 1.00 75.44 N ATOM 592 CA VAL A 89 -4.897 -7.618 6.515 1.00 10.13 C ATOM 593 C VAL A 89 -4.717 -8.975 7.136 1.00 64.45 C ATOM 594 O VAL A 89 -5.071 -9.947 6.547 1.00 21.23 O ATOM 595 CB VAL A 89 -3.515 -6.942 6.257 1.00 24.43 C ATOM 596 CG1 VAL A 89 -2.520 -7.908 5.635 1.00 50.32 C ATOM 597 CG2 VAL A 89 -3.671 -5.741 5.349 1.00 42.32 C ATOM 0 H VAL A 89 -5.287 -6.033 7.803 1.00 75.44 H new ATOM 0 HA VAL A 89 -5.378 -7.716 5.542 1.00 10.13 H new ATOM 0 HB VAL A 89 -3.131 -6.625 7.227 1.00 24.43 H new ATOM 0 HG11 VAL A 89 -1.571 -7.398 5.472 1.00 50.32 H new ATOM 0 HG12 VAL A 89 -2.367 -8.754 6.305 1.00 50.32 H new ATOM 0 HG13 VAL A 89 -2.908 -8.266 4.682 1.00 50.32 H new ATOM 0 HG21 VAL A 89 -2.696 -5.283 5.181 1.00 42.32 H new ATOM 0 HG22 VAL A 89 -4.092 -6.058 4.395 1.00 42.32 H new ATOM 0 HG23 VAL A 89 -4.337 -5.016 5.816 1.00 42.32 H new ATOM 607 N ASP A 90 -4.284 -9.005 8.377 1.00 1.13 N ATOM 608 CA ASP A 90 -3.991 -10.260 9.088 1.00 13.52 C ATOM 609 C ASP A 90 -5.240 -11.128 9.197 1.00 33.51 C ATOM 610 O ASP A 90 -5.161 -12.355 9.267 1.00 31.43 O ATOM 611 CB ASP A 90 -3.449 -9.939 10.486 1.00 13.11 C ATOM 612 CG ASP A 90 -2.907 -11.130 11.233 1.00 11.33 C ATOM 613 OD1 ASP A 90 -3.658 -11.789 11.959 1.00 43.45 O ATOM 614 OD2 ASP A 90 -1.676 -11.374 11.157 1.00 2.40 O ATOM 0 H ASP A 90 -4.120 -8.167 8.935 1.00 1.13 H new ATOM 0 HA ASP A 90 -3.242 -10.816 8.524 1.00 13.52 H new ATOM 0 HB2 ASP A 90 -2.659 -9.193 10.394 1.00 13.11 H new ATOM 0 HB3 ASP A 90 -4.246 -9.487 11.076 1.00 13.11 H new ATOM 619 N SER A 91 -6.378 -10.489 9.176 1.00 34.21 N ATOM 620 CA SER A 91 -7.627 -11.178 9.275 1.00 1.23 C ATOM 621 C SER A 91 -8.129 -11.646 7.885 1.00 41.11 C ATOM 622 O SER A 91 -8.511 -12.807 7.718 1.00 25.54 O ATOM 623 CB SER A 91 -8.657 -10.263 9.966 1.00 11.40 C ATOM 624 OG SER A 91 -9.861 -10.948 10.290 1.00 61.41 O ATOM 0 H SER A 91 -6.461 -9.476 9.090 1.00 34.21 H new ATOM 0 HA SER A 91 -7.489 -12.077 9.876 1.00 1.23 H new ATOM 0 HB2 SER A 91 -8.220 -9.852 10.876 1.00 11.40 H new ATOM 0 HB3 SER A 91 -8.886 -9.421 9.313 1.00 11.40 H new ATOM 0 HG SER A 91 -10.482 -10.329 10.727 1.00 61.41 H new ATOM 630 N GLU A 92 -8.080 -10.770 6.893 1.00 60.01 N ATOM 631 CA GLU A 92 -8.699 -11.063 5.584 1.00 72.23 C ATOM 632 C GLU A 92 -7.708 -11.602 4.554 1.00 12.14 C ATOM 633 O GLU A 92 -8.007 -12.548 3.813 1.00 64.33 O ATOM 634 CB GLU A 92 -9.389 -9.814 5.023 1.00 4.02 C ATOM 635 CG GLU A 92 -10.484 -9.254 5.912 1.00 62.45 C ATOM 636 CD GLU A 92 -11.113 -8.008 5.351 1.00 71.11 C ATOM 637 OE1 GLU A 92 -11.999 -8.109 4.480 1.00 24.23 O ATOM 638 OE2 GLU A 92 -10.764 -6.901 5.782 1.00 63.42 O ATOM 0 H GLU A 92 -7.627 -9.858 6.955 1.00 60.01 H new ATOM 0 HA GLU A 92 -9.433 -11.848 5.767 1.00 72.23 H new ATOM 0 HB2 GLU A 92 -8.638 -9.041 4.860 1.00 4.02 H new ATOM 0 HB3 GLU A 92 -9.815 -10.055 4.049 1.00 4.02 H new ATOM 0 HG2 GLU A 92 -11.254 -10.012 6.053 1.00 62.45 H new ATOM 0 HG3 GLU A 92 -10.070 -9.034 6.896 1.00 62.45 H new ATOM 645 N HIS A 93 -6.547 -11.018 4.518 1.00 40.21 N ATOM 646 CA HIS A 93 -5.528 -11.332 3.548 1.00 14.23 C ATOM 647 C HIS A 93 -4.149 -11.293 4.187 1.00 2.03 C ATOM 648 O HIS A 93 -3.357 -10.405 3.884 1.00 23.44 O ATOM 649 CB HIS A 93 -5.594 -10.359 2.336 1.00 2.42 C ATOM 650 CG HIS A 93 -6.180 -8.966 2.603 1.00 21.41 C ATOM 651 ND1 HIS A 93 -7.476 -8.637 2.325 1.00 62.50 N ATOM 652 CD2 HIS A 93 -5.606 -7.823 3.092 1.00 54.34 C ATOM 653 CE1 HIS A 93 -7.674 -7.370 2.626 1.00 31.25 C ATOM 654 NE2 HIS A 93 -6.565 -6.786 3.104 1.00 2.43 N ATOM 0 H HIS A 93 -6.271 -10.291 5.178 1.00 40.21 H new ATOM 0 HA HIS A 93 -5.711 -12.342 3.183 1.00 14.23 H new ATOM 0 HB2 HIS A 93 -4.585 -10.234 1.944 1.00 2.42 H new ATOM 0 HB3 HIS A 93 -6.184 -10.832 1.551 1.00 2.42 H new ATOM 0 HD1 HIS A 93 -8.179 -9.271 1.945 1.00 62.50 H new ATOM 0 HD2 HIS A 93 -4.581 -7.729 3.418 1.00 54.34 H new ATOM 0 HE1 HIS A 93 -8.619 -6.861 2.502 1.00 31.25 H new ATOM 662 N PRO A 94 -3.856 -12.230 5.131 1.00 30.04 N ATOM 663 CA PRO A 94 -2.588 -12.229 5.873 1.00 52.02 C ATOM 664 C PRO A 94 -1.401 -12.441 4.946 1.00 11.22 C ATOM 665 O PRO A 94 -0.347 -11.819 5.099 1.00 65.31 O ATOM 666 CB PRO A 94 -2.749 -13.391 6.864 1.00 23.13 C ATOM 667 CG PRO A 94 -3.793 -14.266 6.268 1.00 41.03 C ATOM 668 CD PRO A 94 -4.730 -13.347 5.549 1.00 13.11 C ATOM 0 HA PRO A 94 -2.389 -11.279 6.370 1.00 52.02 H new ATOM 0 HB2 PRO A 94 -1.811 -13.930 6.995 1.00 23.13 H new ATOM 0 HB3 PRO A 94 -3.050 -13.031 7.848 1.00 23.13 H new ATOM 0 HG2 PRO A 94 -3.352 -14.990 5.583 1.00 41.03 H new ATOM 0 HG3 PRO A 94 -4.315 -14.833 7.039 1.00 41.03 H new ATOM 0 HD2 PRO A 94 -5.195 -13.836 4.693 1.00 13.11 H new ATOM 0 HD3 PRO A 94 -5.536 -13.006 6.198 1.00 13.11 H new ATOM 676 N ASN A 95 -1.596 -13.300 3.985 1.00 2.22 N ATOM 677 CA ASN A 95 -0.645 -13.541 2.954 1.00 72.31 C ATOM 678 C ASN A 95 -1.422 -13.905 1.729 1.00 61.22 C ATOM 679 O ASN A 95 -2.447 -14.607 1.814 1.00 43.05 O ATOM 680 CB ASN A 95 0.373 -14.649 3.297 1.00 41.42 C ATOM 681 CG ASN A 95 -0.237 -16.017 3.415 1.00 72.03 C ATOM 682 OD1 ASN A 95 -0.328 -16.761 2.441 1.00 65.12 O ATOM 683 ND2 ASN A 95 -0.629 -16.362 4.584 1.00 42.11 N ATOM 0 H ASN A 95 -2.443 -13.862 3.901 1.00 2.22 H new ATOM 0 HA ASN A 95 -0.046 -12.642 2.809 1.00 72.31 H new ATOM 0 HB2 ASN A 95 1.145 -14.671 2.528 1.00 41.42 H new ATOM 0 HB3 ASN A 95 0.866 -14.399 4.237 1.00 41.42 H new ATOM 0 HD21 ASN A 95 -1.035 -17.286 4.734 1.00 42.11 H new ATOM 0 HD22 ASN A 95 -0.535 -15.713 5.366 1.00 42.11 H new ATOM 690 N VAL A 96 -1.004 -13.391 0.631 1.00 1.13 N ATOM 691 CA VAL A 96 -1.633 -13.596 -0.642 1.00 74.42 C ATOM 692 C VAL A 96 -0.490 -13.782 -1.578 1.00 52.13 C ATOM 693 O VAL A 96 0.589 -13.265 -1.300 1.00 41.14 O ATOM 694 CB VAL A 96 -2.465 -12.331 -1.051 1.00 12.24 C ATOM 695 CG1 VAL A 96 -3.202 -12.501 -2.362 1.00 13.40 C ATOM 696 CG2 VAL A 96 -3.450 -11.976 0.023 1.00 34.24 C ATOM 0 H VAL A 96 -0.181 -12.790 0.582 1.00 1.13 H new ATOM 0 HA VAL A 96 -2.324 -14.439 -0.640 1.00 74.42 H new ATOM 0 HB VAL A 96 -1.742 -11.526 -1.182 1.00 12.24 H new ATOM 0 HG11 VAL A 96 -3.758 -11.591 -2.588 1.00 13.40 H new ATOM 0 HG12 VAL A 96 -2.485 -12.696 -3.160 1.00 13.40 H new ATOM 0 HG13 VAL A 96 -3.894 -13.339 -2.284 1.00 13.40 H new ATOM 0 HG21 VAL A 96 -4.017 -11.096 -0.280 1.00 34.24 H new ATOM 0 HG22 VAL A 96 -4.133 -12.811 0.181 1.00 34.24 H new ATOM 0 HG23 VAL A 96 -2.917 -11.763 0.950 1.00 34.24 H new ATOM 706 N VAL A 97 -0.650 -14.524 -2.622 1.00 10.44 N ATOM 707 CA VAL A 97 0.461 -14.725 -3.479 1.00 1.12 C ATOM 708 C VAL A 97 0.105 -14.593 -4.958 1.00 35.34 C ATOM 709 O VAL A 97 -0.455 -15.499 -5.574 1.00 33.12 O ATOM 710 CB VAL A 97 1.255 -16.041 -3.149 1.00 33.34 C ATOM 711 CG1 VAL A 97 0.359 -17.279 -3.178 1.00 24.12 C ATOM 712 CG2 VAL A 97 2.462 -16.216 -4.068 1.00 42.32 C ATOM 0 H VAL A 97 -1.516 -14.989 -2.895 1.00 10.44 H new ATOM 0 HA VAL A 97 1.150 -13.906 -3.272 1.00 1.12 H new ATOM 0 HB VAL A 97 1.624 -15.934 -2.129 1.00 33.34 H new ATOM 0 HG11 VAL A 97 0.952 -18.163 -2.944 1.00 24.12 H new ATOM 0 HG12 VAL A 97 -0.436 -17.170 -2.441 1.00 24.12 H new ATOM 0 HG13 VAL A 97 -0.079 -17.388 -4.170 1.00 24.12 H new ATOM 0 HG21 VAL A 97 2.986 -17.136 -3.810 1.00 42.32 H new ATOM 0 HG22 VAL A 97 2.126 -16.268 -5.104 1.00 42.32 H new ATOM 0 HG23 VAL A 97 3.137 -15.369 -3.948 1.00 42.32 H new ATOM 722 N LEU A 98 0.379 -13.433 -5.511 1.00 13.02 N ATOM 723 CA LEU A 98 0.192 -13.229 -6.925 1.00 42.04 C ATOM 724 C LEU A 98 1.548 -13.175 -7.605 1.00 45.34 C ATOM 725 O LEU A 98 2.052 -14.213 -8.025 1.00 2.40 O ATOM 726 CB LEU A 98 -0.694 -12.018 -7.249 1.00 31.34 C ATOM 727 CG LEU A 98 -2.129 -12.065 -6.684 1.00 2.12 C ATOM 728 CD1 LEU A 98 -2.940 -10.897 -7.177 1.00 71.50 C ATOM 729 CD2 LEU A 98 -2.824 -13.364 -7.045 1.00 11.03 C ATOM 0 H LEU A 98 0.731 -12.621 -5.004 1.00 13.02 H new ATOM 0 HA LEU A 98 -0.362 -14.078 -7.326 1.00 42.04 H new ATOM 0 HB2 LEU A 98 -0.204 -11.121 -6.870 1.00 31.34 H new ATOM 0 HB3 LEU A 98 -0.754 -11.915 -8.332 1.00 31.34 H new ATOM 0 HG LEU A 98 -2.051 -12.007 -5.598 1.00 2.12 H new ATOM 0 HD11 LEU A 98 -3.947 -10.953 -6.764 1.00 71.50 H new ATOM 0 HD12 LEU A 98 -2.469 -9.967 -6.859 1.00 71.50 H new ATOM 0 HD13 LEU A 98 -2.992 -10.924 -8.265 1.00 71.50 H new ATOM 0 HD21 LEU A 98 -3.833 -13.364 -6.632 1.00 11.03 H new ATOM 0 HD22 LEU A 98 -2.876 -13.459 -8.130 1.00 11.03 H new ATOM 0 HD23 LEU A 98 -2.263 -14.203 -6.634 1.00 11.03 H new ATOM 741 N ASN A 99 2.166 -11.997 -7.682 1.00 34.24 N ATOM 742 CA ASN A 99 3.539 -11.913 -8.188 1.00 15.34 C ATOM 743 C ASN A 99 4.205 -10.590 -7.851 1.00 14.44 C ATOM 744 O ASN A 99 4.748 -10.442 -6.784 1.00 51.54 O ATOM 745 CB ASN A 99 3.686 -12.221 -9.695 1.00 24.14 C ATOM 746 CG ASN A 99 5.157 -12.274 -10.123 1.00 11.33 C ATOM 747 OD1 ASN A 99 6.039 -12.650 -9.342 1.00 73.14 O ATOM 748 ND2 ASN A 99 5.431 -11.890 -11.336 1.00 13.13 N ATOM 0 H ASN A 99 1.752 -11.106 -7.408 1.00 34.24 H new ATOM 0 HA ASN A 99 4.062 -12.710 -7.659 1.00 15.34 H new ATOM 0 HB2 ASN A 99 3.207 -13.174 -9.920 1.00 24.14 H new ATOM 0 HB3 ASN A 99 3.166 -11.458 -10.275 1.00 24.14 H new ATOM 0 HD21 ASN A 99 6.396 -11.894 -11.666 1.00 13.13 H new ATOM 0 HD22 ASN A 99 4.681 -11.585 -11.956 1.00 13.13 H new ATOM 755 N SER A 100 4.095 -9.613 -8.722 1.00 60.41 N ATOM 756 CA SER A 100 4.819 -8.389 -8.544 1.00 2.23 C ATOM 757 C SER A 100 3.930 -7.256 -8.050 1.00 62.23 C ATOM 758 O SER A 100 2.850 -7.009 -8.595 1.00 11.43 O ATOM 759 CB SER A 100 5.541 -8.024 -9.845 1.00 41.54 C ATOM 760 OG SER A 100 4.648 -8.069 -10.964 1.00 14.42 O ATOM 0 H SER A 100 3.511 -9.648 -9.557 1.00 60.41 H new ATOM 0 HA SER A 100 5.563 -8.544 -7.763 1.00 2.23 H new ATOM 0 HB2 SER A 100 5.969 -7.025 -9.758 1.00 41.54 H new ATOM 0 HB3 SER A 100 6.369 -8.713 -10.010 1.00 41.54 H new ATOM 0 HG SER A 100 5.134 -7.830 -11.781 1.00 14.42 H new ATOM 766 N SER A 101 4.355 -6.636 -6.980 1.00 62.10 N ATOM 767 CA SER A 101 3.739 -5.501 -6.388 1.00 75.41 C ATOM 768 C SER A 101 4.821 -4.792 -5.598 1.00 63.14 C ATOM 769 O SER A 101 5.923 -5.349 -5.443 1.00 22.54 O ATOM 770 CB SER A 101 2.614 -5.946 -5.469 1.00 21.21 C ATOM 771 OG SER A 101 1.627 -6.679 -6.180 1.00 20.35 O ATOM 0 H SER A 101 5.190 -6.936 -6.477 1.00 62.10 H new ATOM 0 HA SER A 101 3.308 -4.840 -7.140 1.00 75.41 H new ATOM 0 HB2 SER A 101 3.019 -6.562 -4.666 1.00 21.21 H new ATOM 0 HB3 SER A 101 2.156 -5.074 -5.002 1.00 21.21 H new ATOM 0 HG SER A 101 1.932 -7.602 -6.306 1.00 20.35 H new ATOM 777 N TYR A 102 4.550 -3.603 -5.135 1.00 25.32 N ATOM 778 CA TYR A 102 5.522 -2.848 -4.375 1.00 0.21 C ATOM 779 C TYR A 102 5.021 -2.604 -2.971 1.00 12.13 C ATOM 780 O TYR A 102 3.810 -2.429 -2.752 1.00 4.34 O ATOM 781 CB TYR A 102 5.795 -1.503 -5.010 1.00 13.53 C ATOM 782 CG TYR A 102 6.677 -1.436 -6.238 1.00 21.12 C ATOM 783 CD1 TYR A 102 6.874 -2.518 -7.082 1.00 44.43 C ATOM 784 CD2 TYR A 102 7.310 -0.244 -6.548 1.00 64.11 C ATOM 785 CE1 TYR A 102 7.676 -2.409 -8.199 1.00 4.13 C ATOM 786 CE2 TYR A 102 8.107 -0.125 -7.663 1.00 55.54 C ATOM 787 CZ TYR A 102 8.287 -1.208 -8.485 1.00 24.10 C ATOM 788 OH TYR A 102 9.078 -1.089 -9.606 1.00 34.31 O ATOM 0 H TYR A 102 3.657 -3.128 -5.270 1.00 25.32 H new ATOM 0 HA TYR A 102 6.439 -3.437 -4.357 1.00 0.21 H new ATOM 0 HB2 TYR A 102 4.833 -1.061 -5.271 1.00 13.53 H new ATOM 0 HB3 TYR A 102 6.243 -0.864 -4.248 1.00 13.53 H new ATOM 0 HD1 TYR A 102 6.393 -3.459 -6.862 1.00 44.43 H new ATOM 0 HD2 TYR A 102 7.175 0.610 -5.901 1.00 64.11 H new ATOM 0 HE1 TYR A 102 7.824 -3.261 -8.846 1.00 4.13 H new ATOM 0 HE2 TYR A 102 8.588 0.815 -7.890 1.00 55.54 H new ATOM 0 HH TYR A 102 9.432 -0.177 -9.661 1.00 34.31 H new ATOM 798 N VAL A 103 5.931 -2.581 -2.037 1.00 24.53 N ATOM 799 CA VAL A 103 5.613 -2.329 -0.655 1.00 54.40 C ATOM 800 C VAL A 103 6.545 -1.249 -0.109 1.00 33.44 C ATOM 801 O VAL A 103 7.737 -1.239 -0.393 1.00 74.50 O ATOM 802 CB VAL A 103 5.723 -3.647 0.207 1.00 33.34 C ATOM 803 CG1 VAL A 103 7.099 -4.186 0.224 1.00 44.12 C ATOM 804 CG2 VAL A 103 5.271 -3.473 1.624 1.00 4.42 C ATOM 0 H VAL A 103 6.923 -2.738 -2.213 1.00 24.53 H new ATOM 0 HA VAL A 103 4.582 -1.982 -0.591 1.00 54.40 H new ATOM 0 HB VAL A 103 5.052 -4.350 -0.287 1.00 33.34 H new ATOM 0 HG11 VAL A 103 7.127 -5.092 0.829 1.00 44.12 H new ATOM 0 HG12 VAL A 103 7.411 -4.419 -0.794 1.00 44.12 H new ATOM 0 HG13 VAL A 103 7.775 -3.445 0.650 1.00 44.12 H new ATOM 0 HG21 VAL A 103 5.374 -4.418 2.157 1.00 4.42 H new ATOM 0 HG22 VAL A 103 5.883 -2.713 2.110 1.00 4.42 H new ATOM 0 HG23 VAL A 103 4.227 -3.161 1.637 1.00 4.42 H new ATOM 814 N CYS A 104 6.005 -0.320 0.622 1.00 32.35 N ATOM 815 CA CYS A 104 6.829 0.656 1.289 1.00 61.53 C ATOM 816 C CYS A 104 7.338 -0.033 2.496 1.00 23.21 C ATOM 817 O CYS A 104 6.595 -0.212 3.407 1.00 62.24 O ATOM 818 CB CYS A 104 5.960 1.886 1.683 1.00 61.54 C ATOM 819 SG CYS A 104 6.704 3.203 2.806 1.00 72.41 S ATOM 0 H CYS A 104 5.002 -0.213 0.774 1.00 32.35 H new ATOM 0 HA CYS A 104 7.643 1.021 0.662 1.00 61.53 H new ATOM 0 HB2 CYS A 104 5.647 2.377 0.762 1.00 61.54 H new ATOM 0 HB3 CYS A 104 5.058 1.511 2.167 1.00 61.54 H new ATOM 0 HG CYS A 104 5.754 3.945 3.294 1.00 72.41 H new ATOM 824 N VAL A 105 8.585 -0.482 2.473 1.00 23.45 N ATOM 825 CA VAL A 105 9.200 -1.191 3.610 1.00 45.55 C ATOM 826 C VAL A 105 9.122 -0.348 4.868 1.00 73.15 C ATOM 827 O VAL A 105 9.036 -0.863 5.971 1.00 2.33 O ATOM 828 CB VAL A 105 10.689 -1.516 3.361 1.00 21.44 C ATOM 829 CG1 VAL A 105 10.970 -2.948 3.600 1.00 24.51 C ATOM 830 CG2 VAL A 105 11.126 -1.138 1.985 1.00 61.41 C ATOM 0 H VAL A 105 9.206 -0.370 1.672 1.00 23.45 H new ATOM 0 HA VAL A 105 8.643 -2.120 3.726 1.00 45.55 H new ATOM 0 HB VAL A 105 11.260 -0.918 4.071 1.00 21.44 H new ATOM 0 HG11 VAL A 105 12.026 -3.147 3.417 1.00 24.51 H new ATOM 0 HG12 VAL A 105 10.727 -3.199 4.633 1.00 24.51 H new ATOM 0 HG13 VAL A 105 10.364 -3.555 2.927 1.00 24.51 H new ATOM 0 HG21 VAL A 105 12.180 -1.386 1.857 1.00 61.41 H new ATOM 0 HG22 VAL A 105 10.533 -1.685 1.252 1.00 61.41 H new ATOM 0 HG23 VAL A 105 10.985 -0.067 1.840 1.00 61.41 H new ATOM 840 N GLU A 106 9.116 0.955 4.661 1.00 13.12 N ATOM 841 CA GLU A 106 9.043 1.939 5.725 1.00 52.30 C ATOM 842 C GLU A 106 7.765 1.765 6.521 1.00 72.02 C ATOM 843 O GLU A 106 7.758 1.841 7.736 1.00 1.24 O ATOM 844 CB GLU A 106 9.066 3.346 5.125 1.00 53.53 C ATOM 845 CG GLU A 106 10.215 3.614 4.161 1.00 22.52 C ATOM 846 CD GLU A 106 11.567 3.602 4.819 1.00 22.23 C ATOM 847 OE1 GLU A 106 11.677 3.148 5.969 1.00 62.55 O ATOM 848 OE2 GLU A 106 12.536 4.058 4.193 1.00 44.03 O ATOM 0 H GLU A 106 9.163 1.368 3.729 1.00 13.12 H new ATOM 0 HA GLU A 106 9.899 1.799 6.385 1.00 52.30 H new ATOM 0 HB2 GLU A 106 8.125 3.518 4.602 1.00 53.53 H new ATOM 0 HB3 GLU A 106 9.116 4.071 5.938 1.00 53.53 H new ATOM 0 HG2 GLU A 106 10.198 2.863 3.371 1.00 22.52 H new ATOM 0 HG3 GLU A 106 10.060 4.582 3.685 1.00 22.52 H new ATOM 855 N CYS A 107 6.699 1.502 5.819 1.00 61.54 N ATOM 856 CA CYS A 107 5.387 1.338 6.480 1.00 32.13 C ATOM 857 C CYS A 107 4.993 -0.133 6.540 1.00 75.13 C ATOM 858 O CYS A 107 4.175 -0.551 7.358 1.00 42.01 O ATOM 859 CB CYS A 107 4.341 2.059 5.646 1.00 24.13 C ATOM 860 SG CYS A 107 4.840 3.739 5.127 1.00 13.33 S ATOM 0 H CYS A 107 6.687 1.394 4.805 1.00 61.54 H new ATOM 0 HA CYS A 107 5.450 1.740 7.491 1.00 32.13 H new ATOM 0 HB2 CYS A 107 4.124 1.464 4.759 1.00 24.13 H new ATOM 0 HB3 CYS A 107 3.416 2.126 6.219 1.00 24.13 H new ATOM 0 HG CYS A 107 6.076 3.719 4.724 1.00 13.33 H new ATOM 865 N ASN A 108 5.635 -0.878 5.694 1.00 3.44 N ATOM 866 CA ASN A 108 5.292 -2.230 5.325 1.00 51.11 C ATOM 867 C ASN A 108 3.876 -2.306 4.855 1.00 25.01 C ATOM 868 O ASN A 108 2.999 -2.893 5.500 1.00 35.34 O ATOM 869 CB ASN A 108 5.598 -3.263 6.356 1.00 50.34 C ATOM 870 CG ASN A 108 5.916 -4.537 5.713 1.00 32.15 C ATOM 871 OD1 ASN A 108 5.071 -5.419 5.515 1.00 51.33 O ATOM 872 ND2 ASN A 108 7.088 -4.614 5.318 1.00 74.15 N ATOM 0 H ASN A 108 6.467 -0.543 5.208 1.00 3.44 H new ATOM 0 HA ASN A 108 5.953 -2.483 4.496 1.00 51.11 H new ATOM 0 HB2 ASN A 108 6.438 -2.937 6.970 1.00 50.34 H new ATOM 0 HB3 ASN A 108 4.744 -3.386 7.023 1.00 50.34 H new ATOM 0 HD21 ASN A 108 7.399 -5.436 4.800 1.00 74.15 H new ATOM 0 HD22 ASN A 108 7.742 -3.855 5.510 1.00 74.15 H new ATOM 879 N PHE A 109 3.642 -1.656 3.748 1.00 73.03 N ATOM 880 CA PHE A 109 2.324 -1.635 3.191 1.00 21.41 C ATOM 881 C PHE A 109 2.392 -1.949 1.713 1.00 33.13 C ATOM 882 O PHE A 109 3.158 -1.311 0.966 1.00 45.01 O ATOM 883 CB PHE A 109 1.565 -0.304 3.483 1.00 42.02 C ATOM 884 CG PHE A 109 1.438 0.688 2.328 1.00 2.30 C ATOM 885 CD1 PHE A 109 2.389 1.663 2.109 1.00 44.10 C ATOM 886 CD2 PHE A 109 0.346 0.634 1.479 1.00 61.14 C ATOM 887 CE1 PHE A 109 2.254 2.571 1.057 1.00 23.30 C ATOM 888 CE2 PHE A 109 0.209 1.542 0.431 1.00 3.33 C ATOM 889 CZ PHE A 109 1.163 2.510 0.225 1.00 2.51 C ATOM 0 H PHE A 109 4.344 -1.138 3.219 1.00 73.03 H new ATOM 0 HA PHE A 109 1.736 -2.410 3.683 1.00 21.41 H new ATOM 0 HB2 PHE A 109 0.561 -0.554 3.827 1.00 42.02 H new ATOM 0 HB3 PHE A 109 2.068 0.199 4.308 1.00 42.02 H new ATOM 0 HD1 PHE A 109 3.249 1.725 2.760 1.00 44.10 H new ATOM 0 HD2 PHE A 109 -0.410 -0.122 1.631 1.00 61.14 H new ATOM 0 HE1 PHE A 109 3.011 3.325 0.897 1.00 23.30 H new ATOM 0 HE2 PHE A 109 -0.650 1.485 -0.222 1.00 3.33 H new ATOM 0 HZ PHE A 109 1.055 3.217 -0.584 1.00 2.51 H new ATOM 899 N LEU A 110 1.656 -2.939 1.313 1.00 25.13 N ATOM 900 CA LEU A 110 1.618 -3.378 -0.057 1.00 74.43 C ATOM 901 C LEU A 110 0.469 -2.743 -0.735 1.00 4.44 C ATOM 902 O LEU A 110 -0.642 -2.846 -0.244 1.00 72.13 O ATOM 903 CB LEU A 110 1.456 -4.888 -0.141 1.00 52.03 C ATOM 904 CG LEU A 110 2.701 -5.686 -0.444 1.00 63.23 C ATOM 905 CD1 LEU A 110 2.375 -7.147 -0.342 1.00 21.34 C ATOM 906 CD2 LEU A 110 3.185 -5.384 -1.854 1.00 65.11 C ATOM 0 H LEU A 110 1.053 -3.477 1.936 1.00 25.13 H new ATOM 0 HA LEU A 110 2.556 -3.096 -0.536 1.00 74.43 H new ATOM 0 HB2 LEU A 110 1.048 -5.240 0.807 1.00 52.03 H new ATOM 0 HB3 LEU A 110 0.715 -5.109 -0.909 1.00 52.03 H new ATOM 0 HG LEU A 110 3.483 -5.420 0.267 1.00 63.23 H new ATOM 0 HD11 LEU A 110 3.267 -7.735 -0.559 1.00 21.34 H new ATOM 0 HD12 LEU A 110 2.028 -7.373 0.666 1.00 21.34 H new ATOM 0 HD13 LEU A 110 1.593 -7.396 -1.059 1.00 21.34 H new ATOM 0 HD21 LEU A 110 4.084 -5.965 -2.062 1.00 65.11 H new ATOM 0 HD22 LEU A 110 2.407 -5.649 -2.570 1.00 65.11 H new ATOM 0 HD23 LEU A 110 3.411 -4.321 -1.941 1.00 65.11 H new ATOM 918 N THR A 111 0.719 -2.141 -1.853 1.00 3.24 N ATOM 919 CA THR A 111 -0.300 -1.432 -2.578 1.00 64.05 C ATOM 920 C THR A 111 -0.604 -2.070 -3.920 1.00 51.55 C ATOM 921 O THR A 111 0.216 -2.813 -4.487 1.00 2.10 O ATOM 922 CB THR A 111 0.030 0.094 -2.701 1.00 34.30 C ATOM 923 OG1 THR A 111 -0.660 0.742 -3.790 1.00 34.22 O ATOM 924 CG2 THR A 111 1.514 0.330 -2.811 1.00 32.54 C ATOM 0 H THR A 111 1.638 -2.124 -2.296 1.00 3.24 H new ATOM 0 HA THR A 111 -1.216 -1.509 -1.993 1.00 64.05 H new ATOM 0 HB THR A 111 -0.334 0.548 -1.779 1.00 34.30 H new ATOM 0 HG1 THR A 111 -1.617 0.797 -3.584 1.00 34.22 H new ATOM 0 HG21 THR A 111 1.707 1.399 -2.895 1.00 32.54 H new ATOM 0 HG22 THR A 111 2.011 -0.060 -1.923 1.00 32.54 H new ATOM 0 HG23 THR A 111 1.899 -0.178 -3.695 1.00 32.54 H new ATOM 932 N LYS A 112 -1.809 -1.800 -4.378 1.00 61.34 N ATOM 933 CA LYS A 112 -2.375 -2.271 -5.626 1.00 24.54 C ATOM 934 C LYS A 112 -1.599 -1.691 -6.808 1.00 74.42 C ATOM 935 O LYS A 112 -1.555 -2.272 -7.900 1.00 0.34 O ATOM 936 CB LYS A 112 -3.815 -1.744 -5.659 1.00 43.11 C ATOM 937 CG LYS A 112 -4.649 -2.093 -6.873 1.00 31.54 C ATOM 938 CD LYS A 112 -5.923 -1.257 -6.862 1.00 4.02 C ATOM 939 CE LYS A 112 -6.890 -1.657 -7.953 1.00 72.33 C ATOM 940 NZ LYS A 112 -7.521 -2.962 -7.685 1.00 64.53 N ATOM 0 H LYS A 112 -2.459 -1.210 -3.858 1.00 61.34 H new ATOM 0 HA LYS A 112 -2.333 -3.358 -5.695 1.00 24.54 H new ATOM 0 HB2 LYS A 112 -4.332 -2.117 -4.775 1.00 43.11 H new ATOM 0 HB3 LYS A 112 -3.780 -0.658 -5.574 1.00 43.11 H new ATOM 0 HG2 LYS A 112 -4.083 -1.903 -7.785 1.00 31.54 H new ATOM 0 HG3 LYS A 112 -4.896 -3.155 -6.866 1.00 31.54 H new ATOM 0 HD2 LYS A 112 -6.412 -1.359 -5.893 1.00 4.02 H new ATOM 0 HD3 LYS A 112 -5.664 -0.205 -6.979 1.00 4.02 H new ATOM 0 HE2 LYS A 112 -7.663 -0.894 -8.049 1.00 72.33 H new ATOM 0 HE3 LYS A 112 -6.363 -1.699 -8.906 1.00 72.33 H new ATOM 0 HZ1 LYS A 112 -8.326 -3.097 -8.329 1.00 64.53 H new ATOM 0 HZ2 LYS A 112 -6.826 -3.721 -7.836 1.00 64.53 H new ATOM 0 HZ3 LYS A 112 -7.856 -2.990 -6.701 1.00 64.53 H new ATOM 954 N ARG A 113 -0.986 -0.568 -6.581 1.00 43.42 N ATOM 955 CA ARG A 113 -0.317 0.157 -7.616 1.00 51.20 C ATOM 956 C ARG A 113 1.129 0.416 -7.197 1.00 30.30 C ATOM 957 O ARG A 113 1.463 0.296 -6.032 1.00 62.42 O ATOM 958 CB ARG A 113 -1.075 1.470 -7.827 1.00 20.34 C ATOM 959 CG ARG A 113 -0.983 2.428 -6.652 1.00 3.53 C ATOM 960 CD ARG A 113 -1.985 3.549 -6.757 1.00 23.11 C ATOM 961 NE ARG A 113 -3.327 3.104 -6.421 1.00 13.13 N ATOM 962 CZ ARG A 113 -4.413 3.216 -7.170 1.00 64.34 C ATOM 963 NH1 ARG A 113 -4.357 3.696 -8.413 1.00 42.54 N ATOM 964 NH2 ARG A 113 -5.566 2.877 -6.657 1.00 5.45 N ATOM 0 H ARG A 113 -0.937 -0.126 -5.663 1.00 43.42 H new ATOM 0 HA ARG A 113 -0.299 -0.407 -8.549 1.00 51.20 H new ATOM 0 HB2 ARG A 113 -0.686 1.964 -8.717 1.00 20.34 H new ATOM 0 HB3 ARG A 113 -2.124 1.246 -8.019 1.00 20.34 H new ATOM 0 HG2 ARG A 113 -1.148 1.880 -5.724 1.00 3.53 H new ATOM 0 HG3 ARG A 113 0.023 2.845 -6.602 1.00 3.53 H new ATOM 0 HD2 ARG A 113 -1.694 4.361 -6.091 1.00 23.11 H new ATOM 0 HD3 ARG A 113 -1.978 3.950 -7.771 1.00 23.11 H new ATOM 0 HE ARG A 113 -3.445 2.658 -5.511 1.00 13.13 H new ATOM 0 HH11 ARG A 113 -3.463 3.987 -8.807 1.00 42.54 H new ATOM 0 HH12 ARG A 113 -5.209 3.772 -8.969 1.00 42.54 H new ATOM 0 HH21 ARG A 113 -5.616 2.534 -5.698 1.00 5.45 H new ATOM 0 HH22 ARG A 113 -6.416 2.955 -7.216 1.00 5.45 H new ATOM 978 N TYR A 114 1.980 0.770 -8.129 1.00 23.30 N ATOM 979 CA TYR A 114 3.361 1.057 -7.782 1.00 73.41 C ATOM 980 C TYR A 114 3.565 2.554 -7.580 1.00 4.32 C ATOM 981 O TYR A 114 4.544 2.995 -6.978 1.00 73.34 O ATOM 982 CB TYR A 114 4.367 0.474 -8.808 1.00 62.05 C ATOM 983 CG TYR A 114 4.174 0.925 -10.242 1.00 42.43 C ATOM 984 CD1 TYR A 114 4.653 2.154 -10.683 1.00 64.30 C ATOM 985 CD2 TYR A 114 3.508 0.119 -11.149 1.00 1.45 C ATOM 986 CE1 TYR A 114 4.471 2.561 -11.985 1.00 71.22 C ATOM 987 CE2 TYR A 114 3.321 0.519 -12.454 1.00 23.33 C ATOM 988 CZ TYR A 114 3.803 1.739 -12.866 1.00 32.30 C ATOM 989 OH TYR A 114 3.607 2.146 -14.171 1.00 32.12 O ATOM 0 H TYR A 114 1.752 0.867 -9.119 1.00 23.30 H new ATOM 0 HA TYR A 114 3.568 0.554 -6.837 1.00 73.41 H new ATOM 0 HB2 TYR A 114 5.376 0.743 -8.494 1.00 62.05 H new ATOM 0 HB3 TYR A 114 4.302 -0.614 -8.776 1.00 62.05 H new ATOM 0 HD1 TYR A 114 5.176 2.799 -9.993 1.00 64.30 H new ATOM 0 HD2 TYR A 114 3.128 -0.840 -10.828 1.00 1.45 H new ATOM 0 HE1 TYR A 114 4.849 3.518 -12.314 1.00 71.22 H new ATOM 0 HE2 TYR A 114 2.799 -0.122 -13.149 1.00 23.33 H new ATOM 0 HH TYR A 114 3.120 1.451 -14.661 1.00 32.12 H new ATOM 999 N ASP A 115 2.619 3.331 -8.050 1.00 63.02 N ATOM 1000 CA ASP A 115 2.712 4.782 -7.937 1.00 63.53 C ATOM 1001 C ASP A 115 2.489 5.280 -6.527 1.00 41.52 C ATOM 1002 O ASP A 115 3.031 6.296 -6.150 1.00 14.53 O ATOM 1003 CB ASP A 115 1.825 5.515 -8.931 1.00 1.44 C ATOM 1004 CG ASP A 115 0.357 5.198 -8.855 1.00 23.31 C ATOM 1005 OD1 ASP A 115 -0.335 5.765 -8.024 1.00 40.14 O ATOM 1006 OD2 ASP A 115 -0.138 4.368 -9.670 1.00 52.30 O ATOM 0 H ASP A 115 1.776 2.993 -8.514 1.00 63.02 H new ATOM 0 HA ASP A 115 3.743 5.020 -8.198 1.00 63.53 H new ATOM 0 HB2 ASP A 115 1.954 6.587 -8.783 1.00 1.44 H new ATOM 0 HB3 ASP A 115 2.175 5.288 -9.938 1.00 1.44 H new ATOM 1011 N ALA A 116 1.769 4.519 -5.733 1.00 63.21 N ATOM 1012 CA ALA A 116 1.501 4.862 -4.326 1.00 25.11 C ATOM 1013 C ALA A 116 2.801 4.964 -3.532 1.00 24.33 C ATOM 1014 O ALA A 116 2.866 5.632 -2.511 1.00 73.05 O ATOM 1015 CB ALA A 116 0.575 3.832 -3.699 1.00 10.23 C ATOM 0 H ALA A 116 1.346 3.640 -6.031 1.00 63.21 H new ATOM 0 HA ALA A 116 1.011 5.835 -4.300 1.00 25.11 H new ATOM 0 HB1 ALA A 116 0.386 4.098 -2.659 1.00 10.23 H new ATOM 0 HB2 ALA A 116 -0.368 3.810 -4.245 1.00 10.23 H new ATOM 0 HB3 ALA A 116 1.042 2.848 -3.742 1.00 10.23 H new ATOM 1021 N LEU A 117 3.821 4.280 -4.011 1.00 63.41 N ATOM 1022 CA LEU A 117 5.152 4.305 -3.414 1.00 32.31 C ATOM 1023 C LEU A 117 5.934 5.508 -3.900 1.00 50.43 C ATOM 1024 O LEU A 117 6.746 6.064 -3.186 1.00 51.43 O ATOM 1025 CB LEU A 117 5.944 3.053 -3.760 1.00 4.54 C ATOM 1026 CG LEU A 117 5.339 1.713 -3.372 1.00 0.53 C ATOM 1027 CD1 LEU A 117 4.797 1.737 -1.961 1.00 53.42 C ATOM 1028 CD2 LEU A 117 4.288 1.300 -4.352 1.00 22.24 C ATOM 0 H LEU A 117 3.754 3.683 -4.835 1.00 63.41 H new ATOM 0 HA LEU A 117 5.012 4.357 -2.334 1.00 32.31 H new ATOM 0 HB2 LEU A 117 6.112 3.048 -4.837 1.00 4.54 H new ATOM 0 HB3 LEU A 117 6.922 3.131 -3.285 1.00 4.54 H new ATOM 0 HG LEU A 117 6.135 0.969 -3.399 1.00 0.53 H new ATOM 0 HD11 LEU A 117 4.372 0.763 -1.718 1.00 53.42 H new ATOM 0 HD12 LEU A 117 5.604 1.965 -1.265 1.00 53.42 H new ATOM 0 HD13 LEU A 117 4.023 2.500 -1.881 1.00 53.42 H new ATOM 0 HD21 LEU A 117 3.870 0.339 -4.054 1.00 22.24 H new ATOM 0 HD22 LEU A 117 3.496 2.049 -4.374 1.00 22.24 H new ATOM 0 HD23 LEU A 117 4.731 1.211 -5.344 1.00 22.24 H new ATOM 1040 N SER A 118 5.673 5.890 -5.112 1.00 1.22 N ATOM 1041 CA SER A 118 6.333 7.013 -5.752 1.00 45.01 C ATOM 1042 C SER A 118 5.835 8.328 -5.205 1.00 32.23 C ATOM 1043 O SER A 118 6.588 9.276 -5.022 1.00 24.12 O ATOM 1044 CB SER A 118 6.068 6.950 -7.230 1.00 24.21 C ATOM 1045 OG SER A 118 6.902 6.000 -7.883 1.00 65.04 O ATOM 0 H SER A 118 4.984 5.428 -5.705 1.00 1.22 H new ATOM 0 HA SER A 118 7.403 6.951 -5.552 1.00 45.01 H new ATOM 0 HB2 SER A 118 5.023 6.692 -7.400 1.00 24.21 H new ATOM 0 HB3 SER A 118 6.228 7.935 -7.669 1.00 24.21 H new ATOM 0 HG SER A 118 6.697 5.989 -8.841 1.00 65.04 H new ATOM 1051 N GLU A 119 4.562 8.400 -5.006 1.00 23.43 N ATOM 1052 CA GLU A 119 3.964 9.559 -4.412 1.00 43.12 C ATOM 1053 C GLU A 119 4.135 9.505 -2.902 1.00 54.54 C ATOM 1054 O GLU A 119 3.955 10.481 -2.223 1.00 64.23 O ATOM 1055 CB GLU A 119 2.502 9.715 -4.778 1.00 4.50 C ATOM 1056 CG GLU A 119 2.141 9.140 -6.126 1.00 74.13 C ATOM 1057 CD GLU A 119 0.843 9.682 -6.674 1.00 21.11 C ATOM 1058 OE1 GLU A 119 -0.220 9.473 -6.059 1.00 24.21 O ATOM 1059 OE2 GLU A 119 0.855 10.305 -7.759 1.00 30.15 O ATOM 0 H GLU A 119 3.903 7.660 -5.249 1.00 23.43 H new ATOM 0 HA GLU A 119 4.478 10.434 -4.810 1.00 43.12 H new ATOM 0 HB2 GLU A 119 1.893 9.232 -4.014 1.00 4.50 H new ATOM 0 HB3 GLU A 119 2.246 10.775 -4.766 1.00 4.50 H new ATOM 0 HG2 GLU A 119 2.944 9.354 -6.832 1.00 74.13 H new ATOM 0 HG3 GLU A 119 2.069 8.055 -6.044 1.00 74.13 H new ATOM 1066 N HIS A 120 4.401 8.329 -2.396 1.00 72.45 N ATOM 1067 CA HIS A 120 4.541 8.082 -0.958 1.00 62.32 C ATOM 1068 C HIS A 120 5.478 9.096 -0.280 1.00 23.33 C ATOM 1069 O HIS A 120 5.079 9.781 0.569 1.00 41.42 O ATOM 1070 CB HIS A 120 5.037 6.681 -0.721 1.00 11.51 C ATOM 1071 CG HIS A 120 4.739 6.147 0.609 1.00 24.20 C ATOM 1072 ND1 HIS A 120 3.510 5.664 0.981 1.00 2.40 N ATOM 1073 CD2 HIS A 120 5.527 6.014 1.655 1.00 73.44 C ATOM 1074 CE1 HIS A 120 3.586 5.259 2.238 1.00 72.55 C ATOM 1075 NE2 HIS A 120 4.815 5.443 2.714 1.00 22.43 N ATOM 0 H HIS A 120 4.531 7.494 -2.968 1.00 72.45 H new ATOM 0 HA HIS A 120 3.555 8.203 -0.510 1.00 62.32 H new ATOM 0 HB2 HIS A 120 4.597 6.022 -1.470 1.00 11.51 H new ATOM 0 HB3 HIS A 120 6.116 6.661 -0.873 1.00 11.51 H new ATOM 0 HD1 HIS A 120 2.680 5.624 0.390 1.00 2.40 H new ATOM 0 HD2 HIS A 120 6.567 6.303 1.690 1.00 73.44 H new ATOM 0 HE1 HIS A 120 2.765 4.838 2.800 1.00 72.55 H new ATOM 1083 N ASN A 121 6.687 9.189 -0.700 1.00 23.12 N ATOM 1084 CA ASN A 121 7.672 10.178 -0.167 1.00 53.31 C ATOM 1085 C ASN A 121 7.289 11.613 -0.518 1.00 61.00 C ATOM 1086 O ASN A 121 7.833 12.579 -0.004 1.00 41.43 O ATOM 1087 CB ASN A 121 9.089 9.837 -0.587 1.00 42.14 C ATOM 1088 CG ASN A 121 9.292 9.680 -2.068 1.00 74.45 C ATOM 1089 OD1 ASN A 121 8.382 9.366 -2.816 1.00 75.34 O ATOM 1090 ND2 ASN A 121 10.488 9.801 -2.474 1.00 25.20 N ATOM 0 H ASN A 121 7.067 8.591 -1.433 1.00 23.12 H new ATOM 0 HA ASN A 121 7.642 10.111 0.920 1.00 53.31 H new ATOM 0 HB2 ASN A 121 9.757 10.618 -0.225 1.00 42.14 H new ATOM 0 HB3 ASN A 121 9.385 8.911 -0.095 1.00 42.14 H new ATOM 0 HD21 ASN A 121 10.713 9.634 -3.455 1.00 25.20 H new ATOM 0 HD22 ASN A 121 11.224 10.065 -1.820 1.00 25.20 H new ATOM 1097 N LEU A 122 6.422 11.737 -1.450 1.00 31.51 N ATOM 1098 CA LEU A 122 5.912 13.003 -1.839 1.00 1.15 C ATOM 1099 C LEU A 122 4.873 13.483 -0.794 1.00 43.44 C ATOM 1100 O LEU A 122 4.993 14.569 -0.246 1.00 24.53 O ATOM 1101 CB LEU A 122 5.332 12.884 -3.275 1.00 13.10 C ATOM 1102 CG LEU A 122 4.253 13.872 -3.707 1.00 25.43 C ATOM 1103 CD1 LEU A 122 4.747 15.310 -3.615 1.00 51.22 C ATOM 1104 CD2 LEU A 122 3.805 13.562 -5.126 1.00 42.05 C ATOM 0 H LEU A 122 6.038 10.951 -1.975 1.00 31.51 H new ATOM 0 HA LEU A 122 6.697 13.759 -1.866 1.00 1.15 H new ATOM 0 HB2 LEU A 122 6.162 12.971 -3.976 1.00 13.10 H new ATOM 0 HB3 LEU A 122 4.925 11.879 -3.386 1.00 13.10 H new ATOM 0 HG LEU A 122 3.406 13.766 -3.029 1.00 25.43 H new ATOM 0 HD11 LEU A 122 3.954 15.988 -3.930 1.00 51.22 H new ATOM 0 HD12 LEU A 122 5.028 15.533 -2.586 1.00 51.22 H new ATOM 0 HD13 LEU A 122 5.613 15.439 -4.264 1.00 51.22 H new ATOM 0 HD21 LEU A 122 3.034 14.272 -5.427 1.00 42.05 H new ATOM 0 HD22 LEU A 122 4.656 13.642 -5.802 1.00 42.05 H new ATOM 0 HD23 LEU A 122 3.402 12.550 -5.168 1.00 42.05 H new ATOM 1116 N LYS A 123 3.897 12.652 -0.504 1.00 10.23 N ATOM 1117 CA LYS A 123 2.809 13.028 0.399 1.00 52.22 C ATOM 1118 C LYS A 123 2.872 12.367 1.777 1.00 32.23 C ATOM 1119 O LYS A 123 2.656 13.007 2.798 1.00 40.34 O ATOM 1120 CB LYS A 123 1.442 12.838 -0.281 1.00 51.23 C ATOM 1121 CG LYS A 123 1.420 11.844 -1.430 1.00 44.45 C ATOM 1122 CD LYS A 123 0.097 11.874 -2.193 1.00 53.23 C ATOM 1123 CE LYS A 123 -1.094 11.595 -1.282 1.00 31.23 C ATOM 1124 NZ LYS A 123 -2.373 11.593 -1.998 1.00 53.53 N ATOM 0 H LYS A 123 3.826 11.705 -0.877 1.00 10.23 H new ATOM 0 HA LYS A 123 2.944 14.090 0.606 1.00 52.22 H new ATOM 0 HB2 LYS A 123 0.723 12.514 0.471 1.00 51.23 H new ATOM 0 HB3 LYS A 123 1.102 13.805 -0.652 1.00 51.23 H new ATOM 0 HG2 LYS A 123 2.238 12.065 -2.116 1.00 44.45 H new ATOM 0 HG3 LYS A 123 1.592 10.840 -1.043 1.00 44.45 H new ATOM 0 HD2 LYS A 123 -0.028 12.849 -2.664 1.00 53.23 H new ATOM 0 HD3 LYS A 123 0.123 11.134 -2.993 1.00 53.23 H new ATOM 0 HE2 LYS A 123 -0.954 10.630 -0.796 1.00 31.23 H new ATOM 0 HE3 LYS A 123 -1.126 12.347 -0.494 1.00 31.23 H new ATOM 0 HZ1 LYS A 123 -3.070 11.038 -1.462 1.00 53.53 H new ATOM 0 HZ2 LYS A 123 -2.714 12.570 -2.102 1.00 53.53 H new ATOM 0 HZ3 LYS A 123 -2.243 11.169 -2.939 1.00 53.53 H new ATOM 1138 N TYR A 124 3.200 11.123 1.781 1.00 41.20 N ATOM 1139 CA TYR A 124 3.199 10.279 2.990 1.00 10.43 C ATOM 1140 C TYR A 124 4.473 10.468 3.787 1.00 73.42 C ATOM 1141 O TYR A 124 4.427 10.692 4.998 1.00 51.10 O ATOM 1142 CB TYR A 124 3.074 8.806 2.609 1.00 2.41 C ATOM 1143 CG TYR A 124 1.797 8.428 1.911 1.00 3.54 C ATOM 1144 CD1 TYR A 124 1.456 8.996 0.702 1.00 44.03 C ATOM 1145 CD2 TYR A 124 0.932 7.507 2.462 1.00 75.13 C ATOM 1146 CE1 TYR A 124 0.313 8.670 0.065 1.00 31.21 C ATOM 1147 CE2 TYR A 124 -0.231 7.179 1.820 1.00 33.13 C ATOM 1148 CZ TYR A 124 -0.532 7.769 0.623 1.00 20.40 C ATOM 1149 OH TYR A 124 -1.692 7.472 0.004 1.00 11.35 O ATOM 0 H TYR A 124 3.488 10.624 0.939 1.00 41.20 H new ATOM 0 HA TYR A 124 2.347 10.579 3.599 1.00 10.43 H new ATOM 0 HB2 TYR A 124 3.913 8.542 1.965 1.00 2.41 H new ATOM 0 HB3 TYR A 124 3.166 8.205 3.514 1.00 2.41 H new ATOM 0 HD1 TYR A 124 2.121 9.720 0.254 1.00 44.03 H new ATOM 0 HD2 TYR A 124 1.174 7.041 3.406 1.00 75.13 H new ATOM 0 HE1 TYR A 124 0.072 9.124 -0.885 1.00 31.21 H new ATOM 0 HE2 TYR A 124 -0.907 6.459 2.256 1.00 33.13 H new ATOM 0 HH TYR A 124 -2.363 7.217 0.671 1.00 11.35 H new ATOM 1159 N HIS A 125 5.618 10.337 3.120 1.00 53.44 N ATOM 1160 CA HIS A 125 6.908 10.573 3.773 1.00 3.42 C ATOM 1161 C HIS A 125 7.614 11.760 3.112 1.00 25.20 C ATOM 1162 O HIS A 125 8.592 11.571 2.439 1.00 2.32 O ATOM 1163 CB HIS A 125 7.824 9.327 3.696 1.00 64.24 C ATOM 1164 CG HIS A 125 7.299 8.077 4.352 1.00 60.04 C ATOM 1165 ND1 HIS A 125 6.513 8.051 5.484 1.00 63.02 N ATOM 1166 CD2 HIS A 125 7.422 6.793 3.953 1.00 30.42 C ATOM 1167 CE1 HIS A 125 6.179 6.788 5.735 1.00 55.31 C ATOM 1168 NE2 HIS A 125 6.710 5.952 4.806 1.00 23.53 N ATOM 0 H HIS A 125 5.681 10.071 2.137 1.00 53.44 H new ATOM 0 HA HIS A 125 6.713 10.789 4.823 1.00 3.42 H new ATOM 0 HB2 HIS A 125 8.018 9.108 2.646 1.00 64.24 H new ATOM 0 HB3 HIS A 125 8.782 9.577 4.151 1.00 64.24 H new ATOM 0 HD1 HIS A 125 6.235 8.863 6.036 1.00 63.02 H new ATOM 0 HD2 HIS A 125 7.991 6.465 3.096 1.00 30.42 H new ATOM 0 HE1 HIS A 125 5.567 6.470 6.566 1.00 55.31 H new ATOM 1176 N PRO A 126 7.101 12.984 3.281 1.00 0.01 N ATOM 1177 CA PRO A 126 7.631 14.169 2.600 1.00 40.52 C ATOM 1178 C PRO A 126 8.975 14.645 3.136 1.00 62.22 C ATOM 1179 O PRO A 126 9.302 14.459 4.323 1.00 1.03 O ATOM 1180 CB PRO A 126 6.555 15.216 2.849 1.00 61.22 C ATOM 1181 CG PRO A 126 5.974 14.811 4.156 1.00 32.51 C ATOM 1182 CD PRO A 126 5.978 13.321 4.141 1.00 41.43 C ATOM 0 HA PRO A 126 7.831 13.963 1.548 1.00 40.52 H new ATOM 0 HB2 PRO A 126 6.975 16.221 2.890 1.00 61.22 H new ATOM 0 HB3 PRO A 126 5.804 15.216 2.059 1.00 61.22 H new ATOM 0 HG2 PRO A 126 6.565 15.198 4.986 1.00 32.51 H new ATOM 0 HG3 PRO A 126 4.963 15.201 4.275 1.00 32.51 H new ATOM 0 HD2 PRO A 126 6.105 12.912 5.143 1.00 41.43 H new ATOM 0 HD3 PRO A 126 5.042 12.923 3.750 1.00 41.43 H new ATOM 1190 N GLY A 127 9.747 15.244 2.255 1.00 70.21 N ATOM 1191 CA GLY A 127 11.021 15.786 2.609 1.00 25.25 C ATOM 1192 C GLY A 127 11.960 15.798 1.434 1.00 74.04 C ATOM 1193 O GLY A 127 12.619 16.809 1.163 1.00 41.11 O ATOM 0 H GLY A 127 9.499 15.364 1.273 1.00 70.21 H new ATOM 0 HA2 GLY A 127 10.894 16.801 2.985 1.00 25.25 H new ATOM 0 HA3 GLY A 127 11.456 15.198 3.418 1.00 25.25 H new ATOM 1197 N GLU A 128 11.980 14.704 0.707 1.00 25.34 N ATOM 1198 CA GLU A 128 12.850 14.511 -0.438 1.00 61.30 C ATOM 1199 C GLU A 128 12.253 13.428 -1.301 1.00 1.21 C ATOM 1200 O GLU A 128 11.226 12.852 -0.926 1.00 11.23 O ATOM 1201 CB GLU A 128 14.283 14.160 0.038 1.00 52.01 C ATOM 1202 CG GLU A 128 14.377 12.941 0.949 1.00 1.32 C ATOM 1203 CD GLU A 128 14.777 11.674 0.239 1.00 53.34 C ATOM 1204 OE1 GLU A 128 13.930 11.014 -0.344 1.00 41.32 O ATOM 1205 OE2 GLU A 128 15.972 11.351 0.236 1.00 13.31 O ATOM 0 H GLU A 128 11.378 13.903 0.898 1.00 25.34 H new ATOM 0 HA GLU A 128 12.930 15.424 -1.028 1.00 61.30 H new ATOM 0 HB2 GLU A 128 14.909 13.990 -0.838 1.00 52.01 H new ATOM 0 HB3 GLU A 128 14.697 15.021 0.564 1.00 52.01 H new ATOM 0 HG2 GLU A 128 15.099 13.146 1.739 1.00 1.32 H new ATOM 0 HG3 GLU A 128 13.412 12.786 1.431 1.00 1.32 H new ATOM 1212 N GLU A 129 12.836 13.163 -2.445 1.00 61.53 N ATOM 1213 CA GLU A 129 12.317 12.105 -3.272 1.00 53.15 C ATOM 1214 C GLU A 129 13.440 11.189 -3.724 1.00 43.14 C ATOM 1215 O GLU A 129 14.096 11.434 -4.755 1.00 35.43 O ATOM 1216 CB GLU A 129 11.600 12.674 -4.483 1.00 25.22 C ATOM 1217 CG GLU A 129 10.873 11.624 -5.302 1.00 63.11 C ATOM 1218 CD GLU A 129 10.241 12.155 -6.561 1.00 2.24 C ATOM 1219 OE1 GLU A 129 9.207 12.846 -6.487 1.00 14.42 O ATOM 1220 OE2 GLU A 129 10.739 11.845 -7.670 1.00 3.13 O ATOM 0 H GLU A 129 13.650 13.652 -2.817 1.00 61.53 H new ATOM 0 HA GLU A 129 11.604 11.530 -2.681 1.00 53.15 H new ATOM 0 HB2 GLU A 129 10.884 13.426 -4.152 1.00 25.22 H new ATOM 0 HB3 GLU A 129 12.324 13.183 -5.119 1.00 25.22 H new ATOM 0 HG2 GLU A 129 11.576 10.834 -5.566 1.00 63.11 H new ATOM 0 HG3 GLU A 129 10.099 11.168 -4.684 1.00 63.11 H new ATOM 1227 N ASN A 130 13.682 10.152 -2.946 1.00 32.21 N ATOM 1228 CA ASN A 130 14.729 9.183 -3.215 1.00 73.03 C ATOM 1229 C ASN A 130 14.347 7.846 -2.606 1.00 72.01 C ATOM 1230 O ASN A 130 14.574 7.594 -1.426 1.00 64.02 O ATOM 1231 CB ASN A 130 16.050 9.652 -2.570 1.00 25.01 C ATOM 1232 CG ASN A 130 16.574 10.967 -3.121 1.00 1.12 C ATOM 1233 OD1 ASN A 130 17.397 11.005 -4.044 1.00 73.40 O ATOM 1234 ND2 ASN A 130 16.092 12.046 -2.562 1.00 62.13 N ATOM 0 H ASN A 130 13.151 9.955 -2.098 1.00 32.21 H new ATOM 0 HA ASN A 130 14.854 9.086 -4.293 1.00 73.03 H new ATOM 0 HB2 ASN A 130 15.901 9.754 -1.495 1.00 25.01 H new ATOM 0 HB3 ASN A 130 16.807 8.881 -2.716 1.00 25.01 H new ATOM 0 HD21 ASN A 130 16.393 12.966 -2.885 1.00 62.13 H new ATOM 0 HD22 ASN A 130 15.415 11.968 -1.803 1.00 62.13 H new ATOM 1241 N PHE A 131 13.738 7.025 -3.386 1.00 23.20 N ATOM 1242 CA PHE A 131 13.361 5.699 -2.977 1.00 33.44 C ATOM 1243 C PHE A 131 14.257 4.676 -3.648 1.00 4.14 C ATOM 1244 O PHE A 131 14.664 4.861 -4.810 1.00 25.41 O ATOM 1245 CB PHE A 131 11.912 5.423 -3.341 1.00 61.42 C ATOM 1246 CG PHE A 131 10.923 5.443 -2.198 1.00 22.22 C ATOM 1247 CD1 PHE A 131 10.891 4.407 -1.294 1.00 42.31 C ATOM 1248 CD2 PHE A 131 9.999 6.450 -2.066 1.00 41.20 C ATOM 1249 CE1 PHE A 131 9.959 4.372 -0.281 1.00 14.41 C ATOM 1250 CE2 PHE A 131 9.049 6.417 -1.050 1.00 13.03 C ATOM 1251 CZ PHE A 131 9.032 5.376 -0.164 1.00 2.52 C ATOM 0 H PHE A 131 13.478 7.251 -4.346 1.00 23.20 H new ATOM 0 HA PHE A 131 13.474 5.625 -1.895 1.00 33.44 H new ATOM 0 HB2 PHE A 131 11.598 6.160 -4.080 1.00 61.42 H new ATOM 0 HB3 PHE A 131 11.859 4.447 -3.823 1.00 61.42 H new ATOM 0 HD1 PHE A 131 11.610 3.606 -1.380 1.00 42.31 H new ATOM 0 HD2 PHE A 131 10.010 7.278 -2.759 1.00 41.20 H new ATOM 0 HE1 PHE A 131 9.958 3.553 0.423 1.00 14.41 H new ATOM 0 HE2 PHE A 131 8.325 7.214 -0.961 1.00 13.03 H new ATOM 0 HZ PHE A 131 8.293 5.344 0.623 1.00 2.52 H new ATOM 1261 N LYS A 132 14.567 3.628 -2.930 1.00 33.11 N ATOM 1262 CA LYS A 132 15.414 2.559 -3.409 1.00 3.11 C ATOM 1263 C LYS A 132 14.536 1.325 -3.620 1.00 0.32 C ATOM 1264 O LYS A 132 13.433 1.266 -3.098 1.00 74.12 O ATOM 1265 CB LYS A 132 16.504 2.231 -2.373 1.00 61.33 C ATOM 1266 CG LYS A 132 16.120 1.120 -1.406 1.00 73.54 C ATOM 1267 CD LYS A 132 17.258 0.709 -0.532 1.00 33.51 C ATOM 1268 CE LYS A 132 16.955 -0.635 0.102 1.00 51.43 C ATOM 1269 NZ LYS A 132 18.058 -1.133 0.942 1.00 63.41 N ATOM 0 H LYS A 132 14.233 3.488 -1.977 1.00 33.11 H new ATOM 0 HA LYS A 132 15.899 2.860 -4.338 1.00 3.11 H new ATOM 0 HB2 LYS A 132 17.416 1.944 -2.897 1.00 61.33 H new ATOM 0 HB3 LYS A 132 16.734 3.132 -1.804 1.00 61.33 H new ATOM 0 HG2 LYS A 132 15.290 1.454 -0.784 1.00 73.54 H new ATOM 0 HG3 LYS A 132 15.768 0.256 -1.970 1.00 73.54 H new ATOM 0 HD2 LYS A 132 18.175 0.647 -1.118 1.00 33.51 H new ATOM 0 HD3 LYS A 132 17.424 1.458 0.242 1.00 33.51 H new ATOM 0 HE2 LYS A 132 16.053 -0.550 0.708 1.00 51.43 H new ATOM 0 HE3 LYS A 132 16.745 -1.362 -0.682 1.00 51.43 H new ATOM 0 HZ1 LYS A 132 17.796 -2.053 1.349 1.00 63.41 H new ATOM 0 HZ2 LYS A 132 18.914 -1.242 0.362 1.00 63.41 H new ATOM 0 HZ3 LYS A 132 18.243 -0.455 1.709 1.00 63.41 H new ATOM 1283 N LEU A 133 15.039 0.340 -4.315 1.00 60.24 N ATOM 1284 CA LEU A 133 14.273 -0.853 -4.592 1.00 70.15 C ATOM 1285 C LEU A 133 14.999 -2.072 -4.046 1.00 44.20 C ATOM 1286 O LEU A 133 16.208 -2.208 -4.210 1.00 0.12 O ATOM 1287 CB LEU A 133 14.004 -1.032 -6.105 1.00 14.13 C ATOM 1288 CG LEU A 133 15.229 -1.153 -7.037 1.00 61.00 C ATOM 1289 CD1 LEU A 133 14.812 -1.761 -8.350 1.00 60.10 C ATOM 1290 CD2 LEU A 133 15.856 0.208 -7.310 1.00 4.13 C ATOM 0 H LEU A 133 15.982 0.338 -4.703 1.00 60.24 H new ATOM 0 HA LEU A 133 13.307 -0.747 -4.098 1.00 70.15 H new ATOM 0 HB2 LEU A 133 13.393 -1.925 -6.235 1.00 14.13 H new ATOM 0 HB3 LEU A 133 13.406 -0.185 -6.443 1.00 14.13 H new ATOM 0 HG LEU A 133 15.963 -1.786 -6.538 1.00 61.00 H new ATOM 0 HD11 LEU A 133 15.680 -1.844 -9.004 1.00 60.10 H new ATOM 0 HD12 LEU A 133 14.393 -2.752 -8.175 1.00 60.10 H new ATOM 0 HD13 LEU A 133 14.061 -1.127 -8.822 1.00 60.10 H new ATOM 0 HD21 LEU A 133 16.716 0.087 -7.969 1.00 4.13 H new ATOM 0 HD22 LEU A 133 15.122 0.858 -7.787 1.00 4.13 H new ATOM 0 HD23 LEU A 133 16.180 0.655 -6.370 1.00 4.13 H new ATOM 1302 N THR A 134 14.287 -2.912 -3.361 1.00 0.44 N ATOM 1303 CA THR A 134 14.833 -4.129 -2.821 1.00 51.12 C ATOM 1304 C THR A 134 13.726 -5.198 -2.818 1.00 20.42 C ATOM 1305 O THR A 134 12.740 -5.056 -2.129 1.00 21.42 O ATOM 1306 CB THR A 134 15.408 -3.871 -1.368 1.00 41.34 C ATOM 1307 OG1 THR A 134 15.906 -5.067 -0.743 1.00 34.45 O ATOM 1308 CG2 THR A 134 14.401 -3.186 -0.457 1.00 23.04 C ATOM 0 H THR A 134 13.297 -2.775 -3.156 1.00 0.44 H new ATOM 0 HA THR A 134 15.662 -4.483 -3.434 1.00 51.12 H new ATOM 0 HB THR A 134 16.251 -3.195 -1.512 1.00 41.34 H new ATOM 0 HG1 THR A 134 16.250 -4.851 0.149 1.00 34.45 H new ATOM 0 HG21 THR A 134 14.845 -3.033 0.526 1.00 23.04 H new ATOM 0 HG22 THR A 134 14.121 -2.223 -0.883 1.00 23.04 H new ATOM 0 HG23 THR A 134 13.513 -3.811 -0.360 1.00 23.04 H new ATOM 1316 N MET A 135 13.830 -6.241 -3.616 1.00 22.53 N ATOM 1317 CA MET A 135 12.734 -7.182 -3.584 1.00 61.11 C ATOM 1318 C MET A 135 13.093 -8.272 -2.654 1.00 43.43 C ATOM 1319 O MET A 135 13.940 -9.102 -2.958 1.00 54.52 O ATOM 1320 CB MET A 135 12.495 -7.765 -4.994 1.00 54.53 C ATOM 1321 CG MET A 135 11.224 -8.628 -5.165 1.00 2.31 C ATOM 1322 SD MET A 135 11.230 -10.234 -4.312 1.00 64.12 S ATOM 1323 CE MET A 135 12.514 -11.109 -5.215 1.00 23.14 C ATOM 0 H MET A 135 14.601 -6.450 -4.250 1.00 22.53 H new ATOM 0 HA MET A 135 11.823 -6.682 -3.255 1.00 61.11 H new ATOM 0 HB2 MET A 135 12.447 -6.939 -5.704 1.00 54.53 H new ATOM 0 HB3 MET A 135 13.360 -8.370 -5.267 1.00 54.53 H new ATOM 0 HG2 MET A 135 10.368 -8.054 -4.810 1.00 2.31 H new ATOM 0 HG3 MET A 135 11.070 -8.805 -6.229 1.00 2.31 H new ATOM 0 HE1 MET A 135 12.498 -12.164 -4.940 1.00 23.14 H new ATOM 0 HE2 MET A 135 12.337 -11.011 -6.286 1.00 23.14 H new ATOM 0 HE3 MET A 135 13.487 -10.684 -4.968 1.00 23.14 H new ATOM 1333 N VAL A 136 12.482 -8.252 -1.520 1.00 52.00 N ATOM 1334 CA VAL A 136 12.575 -9.299 -0.562 1.00 23.14 C ATOM 1335 C VAL A 136 11.279 -9.357 0.207 1.00 42.20 C ATOM 1336 O VAL A 136 11.039 -8.516 1.025 1.00 32.51 O ATOM 1337 CB VAL A 136 13.798 -9.094 0.413 1.00 40.21 C ATOM 1338 CG1 VAL A 136 15.075 -9.664 -0.193 1.00 61.42 C ATOM 1339 CG2 VAL A 136 14.018 -7.601 0.690 1.00 40.21 C ATOM 0 H VAL A 136 11.884 -7.481 -1.224 1.00 52.00 H new ATOM 0 HA VAL A 136 12.745 -10.243 -1.080 1.00 23.14 H new ATOM 0 HB VAL A 136 13.569 -9.616 1.342 1.00 40.21 H new ATOM 0 HG11 VAL A 136 15.905 -9.511 0.497 1.00 61.42 H new ATOM 0 HG12 VAL A 136 14.946 -10.731 -0.375 1.00 61.42 H new ATOM 0 HG13 VAL A 136 15.288 -9.158 -1.135 1.00 61.42 H new ATOM 0 HG21 VAL A 136 14.865 -7.477 1.364 1.00 40.21 H new ATOM 0 HG22 VAL A 136 14.221 -7.083 -0.247 1.00 40.21 H new ATOM 0 HG23 VAL A 136 13.124 -7.181 1.150 1.00 40.21 H new ATOM 1349 N LYS A 137 10.464 -10.312 0.005 1.00 14.13 N ATOM 1350 CA LYS A 137 9.285 -10.369 0.817 1.00 2.30 C ATOM 1351 C LYS A 137 9.069 -11.775 1.205 1.00 23.31 C ATOM 1352 O LYS A 137 8.887 -12.646 0.354 1.00 53.31 O ATOM 1353 CB LYS A 137 8.085 -9.789 0.122 1.00 3.40 C ATOM 1354 CG LYS A 137 6.934 -9.370 1.032 1.00 22.24 C ATOM 1355 CD LYS A 137 7.310 -8.087 1.792 1.00 51.23 C ATOM 1356 CE LYS A 137 6.109 -7.383 2.426 1.00 63.53 C ATOM 1357 NZ LYS A 137 5.642 -8.038 3.671 1.00 23.31 N ATOM 0 H LYS A 137 10.570 -11.052 -0.689 1.00 14.13 H new ATOM 0 HA LYS A 137 9.427 -9.756 1.707 1.00 2.30 H new ATOM 0 HB2 LYS A 137 8.405 -8.920 -0.452 1.00 3.40 H new ATOM 0 HB3 LYS A 137 7.711 -10.523 -0.592 1.00 3.40 H new ATOM 0 HG2 LYS A 137 6.034 -9.203 0.441 1.00 22.24 H new ATOM 0 HG3 LYS A 137 6.708 -10.169 1.738 1.00 22.24 H new ATOM 0 HD2 LYS A 137 8.031 -8.333 2.572 1.00 51.23 H new ATOM 0 HD3 LYS A 137 7.805 -7.399 1.106 1.00 51.23 H new ATOM 0 HE2 LYS A 137 6.375 -6.349 2.644 1.00 63.53 H new ATOM 0 HE3 LYS A 137 5.290 -7.356 1.707 1.00 63.53 H new ATOM 0 HZ1 LYS A 137 4.706 -8.461 3.510 1.00 23.31 H new ATOM 0 HZ2 LYS A 137 6.315 -8.781 3.946 1.00 23.31 H new ATOM 0 HZ3 LYS A 137 5.577 -7.332 4.432 1.00 23.31 H new ATOM 1371 N ARG A 138 9.122 -12.011 2.445 1.00 22.43 N ATOM 1372 CA ARG A 138 9.049 -13.318 2.952 1.00 62.52 C ATOM 1373 C ARG A 138 7.766 -13.453 3.729 1.00 73.13 C ATOM 1374 O ARG A 138 7.184 -12.438 4.121 1.00 11.23 O ATOM 1375 CB ARG A 138 10.295 -13.633 3.810 1.00 70.22 C ATOM 1376 CG ARG A 138 11.652 -13.486 3.058 1.00 41.04 C ATOM 1377 CD ARG A 138 12.106 -12.012 2.892 1.00 1.23 C ATOM 1378 NE ARG A 138 12.481 -11.379 4.175 1.00 63.43 N ATOM 1379 CZ ARG A 138 12.587 -10.043 4.410 1.00 32.33 C ATOM 1380 NH1 ARG A 138 12.223 -9.151 3.497 1.00 62.41 N ATOM 1381 NH2 ARG A 138 13.038 -9.614 5.582 1.00 73.14 N ATOM 0 H ARG A 138 9.220 -11.288 3.158 1.00 22.43 H new ATOM 0 HA ARG A 138 9.042 -14.046 2.141 1.00 62.52 H new ATOM 0 HB2 ARG A 138 10.301 -12.971 4.676 1.00 70.22 H new ATOM 0 HB3 ARG A 138 10.212 -14.652 4.188 1.00 70.22 H new ATOM 0 HG2 ARG A 138 12.421 -14.037 3.600 1.00 41.04 H new ATOM 0 HG3 ARG A 138 11.565 -13.945 2.073 1.00 41.04 H new ATOM 0 HD2 ARG A 138 12.956 -11.973 2.211 1.00 1.23 H new ATOM 0 HD3 ARG A 138 11.302 -11.439 2.431 1.00 1.23 H new ATOM 0 HE ARG A 138 12.679 -12.003 4.957 1.00 63.43 H new ATOM 0 HH11 ARG A 138 11.855 -9.462 2.598 1.00 62.41 H new ATOM 0 HH12 ARG A 138 12.311 -8.154 3.694 1.00 62.41 H new ATOM 0 HH21 ARG A 138 13.304 -10.285 6.303 1.00 73.14 H new ATOM 0 HH22 ARG A 138 13.119 -8.613 5.762 1.00 73.14 H new ATOM 1395 N ASN A 139 7.275 -14.679 3.852 1.00 5.41 N ATOM 1396 CA ASN A 139 6.033 -15.003 4.593 1.00 22.33 C ATOM 1397 C ASN A 139 4.781 -14.459 3.897 1.00 53.01 C ATOM 1398 O ASN A 139 3.683 -14.490 4.468 1.00 0.00 O ATOM 1399 CB ASN A 139 6.061 -14.523 6.080 1.00 62.02 C ATOM 1400 CG ASN A 139 7.105 -15.206 6.960 1.00 45.40 C ATOM 1401 OD1 ASN A 139 8.199 -15.577 6.510 1.00 33.14 O ATOM 1402 ND2 ASN A 139 6.775 -15.400 8.209 1.00 73.41 N ATOM 0 H ASN A 139 7.724 -15.497 3.440 1.00 5.41 H new ATOM 0 HA ASN A 139 5.985 -16.092 4.596 1.00 22.33 H new ATOM 0 HB2 ASN A 139 6.242 -13.448 6.096 1.00 62.02 H new ATOM 0 HB3 ASN A 139 5.076 -14.687 6.517 1.00 62.02 H new ATOM 0 HD21 ASN A 139 7.425 -15.867 8.841 1.00 73.41 H new ATOM 0 HD22 ASN A 139 5.868 -15.084 8.552 1.00 73.41 H new ATOM 1409 N ASN A 140 4.933 -14.004 2.660 1.00 63.35 N ATOM 1410 CA ASN A 140 3.825 -13.418 1.899 1.00 31.14 C ATOM 1411 C ASN A 140 3.901 -13.875 0.440 1.00 3.14 C ATOM 1412 O ASN A 140 3.355 -14.909 0.070 1.00 74.21 O ATOM 1413 CB ASN A 140 3.849 -11.864 1.941 1.00 42.32 C ATOM 1414 CG ASN A 140 3.651 -11.230 3.302 1.00 25.12 C ATOM 1415 OD1 ASN A 140 2.541 -10.952 3.709 1.00 51.12 O ATOM 1416 ND2 ASN A 140 4.737 -10.959 3.997 1.00 63.42 N ATOM 0 H ASN A 140 5.819 -14.028 2.155 1.00 63.35 H new ATOM 0 HA ASN A 140 2.897 -13.759 2.359 1.00 31.14 H new ATOM 0 HB2 ASN A 140 4.804 -11.525 1.541 1.00 42.32 H new ATOM 0 HB3 ASN A 140 3.073 -11.491 1.273 1.00 42.32 H new ATOM 0 HD21 ASN A 140 4.660 -10.502 4.906 1.00 63.42 H new ATOM 0 HD22 ASN A 140 5.655 -11.206 3.626 1.00 63.42 H new ATOM 1423 N GLN A 141 4.642 -13.118 -0.346 1.00 41.44 N ATOM 1424 CA GLN A 141 4.914 -13.364 -1.741 1.00 54.15 C ATOM 1425 C GLN A 141 6.121 -12.549 -2.035 1.00 65.42 C ATOM 1426 O GLN A 141 6.428 -11.683 -1.242 1.00 74.13 O ATOM 1427 CB GLN A 141 3.775 -12.907 -2.674 1.00 63.30 C ATOM 1428 CG GLN A 141 3.537 -11.406 -2.830 1.00 11.21 C ATOM 1429 CD GLN A 141 2.916 -10.732 -1.640 1.00 12.14 C ATOM 1430 OE1 GLN A 141 1.712 -10.627 -1.524 1.00 62.15 O ATOM 1431 NE2 GLN A 141 3.730 -10.238 -0.771 1.00 60.12 N ATOM 0 H GLN A 141 5.093 -12.269 -0.005 1.00 41.44 H new ATOM 0 HA GLN A 141 5.035 -14.433 -1.914 1.00 54.15 H new ATOM 0 HB2 GLN A 141 3.968 -13.320 -3.664 1.00 63.30 H new ATOM 0 HB3 GLN A 141 2.849 -13.357 -2.316 1.00 63.30 H new ATOM 0 HG2 GLN A 141 4.490 -10.923 -3.045 1.00 11.21 H new ATOM 0 HG3 GLN A 141 2.895 -11.244 -3.696 1.00 11.21 H new ATOM 0 HE21 GLN A 141 4.737 -10.343 -0.897 1.00 60.12 H new ATOM 0 HE22 GLN A 141 3.367 -9.742 0.043 1.00 60.12 H new ATOM 1440 N THR A 142 6.773 -12.749 -3.136 1.00 5.35 N ATOM 1441 CA THR A 142 7.948 -11.971 -3.409 1.00 11.03 C ATOM 1442 C THR A 142 7.599 -10.747 -4.247 1.00 1.15 C ATOM 1443 O THR A 142 7.264 -10.840 -5.426 1.00 54.32 O ATOM 1444 CB THR A 142 9.043 -12.821 -4.060 1.00 55.53 C ATOM 1445 OG1 THR A 142 8.502 -13.540 -5.180 1.00 61.55 O ATOM 1446 CG2 THR A 142 9.653 -13.790 -3.041 1.00 25.24 C ATOM 0 H THR A 142 6.521 -13.431 -3.852 1.00 5.35 H new ATOM 0 HA THR A 142 8.350 -11.616 -2.460 1.00 11.03 H new ATOM 0 HB THR A 142 9.835 -12.161 -4.414 1.00 55.53 H new ATOM 0 HG1 THR A 142 7.900 -12.954 -5.685 1.00 61.55 H new ATOM 0 HG21 THR A 142 10.429 -14.385 -3.523 1.00 25.24 H new ATOM 0 HG22 THR A 142 10.089 -13.225 -2.217 1.00 25.24 H new ATOM 0 HG23 THR A 142 8.876 -14.451 -2.657 1.00 25.24 H new ATOM 1454 N ILE A 143 7.701 -9.623 -3.594 1.00 74.13 N ATOM 1455 CA ILE A 143 7.304 -8.317 -4.058 1.00 75.12 C ATOM 1456 C ILE A 143 8.395 -7.316 -3.774 1.00 34.55 C ATOM 1457 O ILE A 143 9.214 -7.550 -2.879 1.00 53.51 O ATOM 1458 CB ILE A 143 5.918 -7.862 -3.534 1.00 0.20 C ATOM 1459 CG1 ILE A 143 5.775 -8.055 -2.062 1.00 3.34 C ATOM 1460 CG2 ILE A 143 4.790 -8.522 -4.267 1.00 32.35 C ATOM 1461 CD1 ILE A 143 6.440 -6.979 -1.279 1.00 33.24 C ATOM 0 H ILE A 143 8.093 -9.591 -2.653 1.00 74.13 H new ATOM 0 HA ILE A 143 7.171 -8.383 -5.138 1.00 75.12 H new ATOM 0 HB ILE A 143 5.862 -6.792 -3.732 1.00 0.20 H new ATOM 0 HG12 ILE A 143 4.716 -8.086 -1.804 1.00 3.34 H new ATOM 0 HG13 ILE A 143 6.200 -9.019 -1.782 1.00 3.34 H new ATOM 0 HG21 ILE A 143 3.840 -8.171 -3.864 1.00 32.35 H new ATOM 0 HG22 ILE A 143 4.849 -8.273 -5.326 1.00 32.35 H new ATOM 0 HG23 ILE A 143 4.859 -9.603 -4.144 1.00 32.35 H new ATOM 0 HD11 ILE A 143 6.306 -7.168 -0.214 1.00 33.24 H new ATOM 0 HD12 ILE A 143 7.504 -6.963 -1.513 1.00 33.24 H new ATOM 0 HD13 ILE A 143 5.998 -6.016 -1.535 1.00 33.24 H new ATOM 1473 N PHE A 144 8.441 -6.250 -4.517 1.00 35.24 N ATOM 1474 CA PHE A 144 9.549 -5.339 -4.450 1.00 24.24 C ATOM 1475 C PHE A 144 9.270 -4.322 -3.381 1.00 35.44 C ATOM 1476 O PHE A 144 8.241 -3.646 -3.392 1.00 43.10 O ATOM 1477 CB PHE A 144 9.646 -4.564 -5.773 1.00 71.31 C ATOM 1478 CG PHE A 144 9.893 -5.386 -6.997 1.00 73.50 C ATOM 1479 CD1 PHE A 144 8.836 -5.902 -7.735 1.00 51.41 C ATOM 1480 CD2 PHE A 144 11.179 -5.619 -7.423 1.00 23.01 C ATOM 1481 CE1 PHE A 144 9.068 -6.637 -8.878 1.00 24.45 C ATOM 1482 CE2 PHE A 144 11.424 -6.360 -8.563 1.00 41.11 C ATOM 1483 CZ PHE A 144 10.366 -6.867 -9.293 1.00 74.55 C ATOM 0 H PHE A 144 7.716 -5.987 -5.184 1.00 35.24 H new ATOM 0 HA PHE A 144 10.463 -5.898 -4.250 1.00 24.24 H new ATOM 0 HB2 PHE A 144 8.719 -4.008 -5.914 1.00 71.31 H new ATOM 0 HB3 PHE A 144 10.448 -3.831 -5.684 1.00 71.31 H new ATOM 0 HD1 PHE A 144 7.821 -5.726 -7.410 1.00 51.41 H new ATOM 0 HD2 PHE A 144 12.008 -5.218 -6.859 1.00 23.01 H new ATOM 0 HE1 PHE A 144 8.239 -7.031 -9.447 1.00 24.45 H new ATOM 0 HE2 PHE A 144 12.439 -6.542 -8.883 1.00 41.11 H new ATOM 0 HZ PHE A 144 10.553 -7.443 -10.187 1.00 74.55 H new ATOM 1493 N GLU A 145 10.168 -4.244 -2.440 1.00 54.44 N ATOM 1494 CA GLU A 145 10.034 -3.347 -1.362 1.00 43.32 C ATOM 1495 C GLU A 145 10.781 -2.088 -1.729 1.00 73.32 C ATOM 1496 O GLU A 145 11.830 -2.145 -2.386 1.00 21.42 O ATOM 1497 CB GLU A 145 10.608 -3.939 -0.068 1.00 70.35 C ATOM 1498 CG GLU A 145 10.174 -5.356 0.255 1.00 5.42 C ATOM 1499 CD GLU A 145 10.378 -5.679 1.722 1.00 73.42 C ATOM 1500 OE1 GLU A 145 11.540 -5.860 2.171 1.00 44.32 O ATOM 1501 OE2 GLU A 145 9.378 -5.708 2.467 1.00 32.10 O ATOM 0 H GLU A 145 11.015 -4.812 -2.413 1.00 54.44 H new ATOM 0 HA GLU A 145 8.979 -3.141 -1.181 1.00 43.32 H new ATOM 0 HB2 GLU A 145 11.696 -3.917 -0.131 1.00 70.35 H new ATOM 0 HB3 GLU A 145 10.324 -3.293 0.763 1.00 70.35 H new ATOM 0 HG2 GLU A 145 9.123 -5.484 -0.004 1.00 5.42 H new ATOM 0 HG3 GLU A 145 10.740 -6.059 -0.356 1.00 5.42 H new ATOM 1508 N GLN A 146 10.245 -0.978 -1.360 1.00 24.33 N ATOM 1509 CA GLN A 146 10.829 0.273 -1.706 1.00 50.14 C ATOM 1510 C GLN A 146 11.114 1.055 -0.416 1.00 13.34 C ATOM 1511 O GLN A 146 10.176 1.377 0.339 1.00 70.12 O ATOM 1512 CB GLN A 146 9.844 1.012 -2.632 1.00 22.44 C ATOM 1513 CG GLN A 146 10.506 2.012 -3.551 1.00 44.14 C ATOM 1514 CD GLN A 146 9.561 2.661 -4.526 1.00 72.54 C ATOM 1515 OE1 GLN A 146 9.352 2.171 -5.620 1.00 73.21 O ATOM 1516 NE2 GLN A 146 8.989 3.768 -4.147 1.00 24.05 N ATOM 0 H GLN A 146 9.389 -0.910 -0.810 1.00 24.33 H new ATOM 0 HA GLN A 146 11.775 0.152 -2.234 1.00 50.14 H new ATOM 0 HB2 GLN A 146 9.306 0.279 -3.234 1.00 22.44 H new ATOM 0 HB3 GLN A 146 9.103 1.528 -2.021 1.00 22.44 H new ATOM 0 HG2 GLN A 146 10.980 2.787 -2.948 1.00 44.14 H new ATOM 0 HG3 GLN A 146 11.299 1.511 -4.107 1.00 44.14 H new ATOM 0 HE21 GLN A 146 9.185 4.153 -3.223 1.00 24.05 H new ATOM 0 HE22 GLN A 146 8.345 4.250 -4.774 1.00 24.05 H new ATOM 1525 N THR A 147 12.395 1.282 -0.119 1.00 40.00 N ATOM 1526 CA THR A 147 12.809 2.001 1.094 1.00 12.41 C ATOM 1527 C THR A 147 13.433 3.318 0.720 1.00 22.25 C ATOM 1528 O THR A 147 13.864 3.502 -0.402 1.00 10.35 O ATOM 1529 CB THR A 147 13.850 1.204 1.901 1.00 44.11 C ATOM 1530 OG1 THR A 147 14.120 -0.040 1.233 1.00 25.12 O ATOM 1531 CG2 THR A 147 13.360 0.934 3.327 1.00 51.15 C ATOM 0 H THR A 147 13.172 0.977 -0.706 1.00 40.00 H new ATOM 0 HA THR A 147 11.915 2.146 1.701 1.00 12.41 H new ATOM 0 HB THR A 147 14.763 1.796 1.966 1.00 44.11 H new ATOM 0 HG1 THR A 147 14.348 -0.725 1.896 1.00 25.12 H new ATOM 0 HG21 THR A 147 14.117 0.370 3.871 1.00 51.15 H new ATOM 0 HG22 THR A 147 13.179 1.881 3.835 1.00 51.15 H new ATOM 0 HG23 THR A 147 12.435 0.359 3.291 1.00 51.15 H new ATOM 1539 N ILE A 148 13.490 4.203 1.643 1.00 74.42 N ATOM 1540 CA ILE A 148 14.049 5.514 1.436 1.00 74.24 C ATOM 1541 C ILE A 148 15.430 5.550 2.048 1.00 44.04 C ATOM 1542 O ILE A 148 15.785 4.696 2.848 1.00 12.51 O ATOM 1543 CB ILE A 148 13.152 6.596 2.069 1.00 34.33 C ATOM 1544 CG1 ILE A 148 11.714 6.249 1.726 1.00 43.01 C ATOM 1545 CG2 ILE A 148 13.503 7.945 1.453 1.00 0.03 C ATOM 1546 CD1 ILE A 148 10.641 6.882 2.563 1.00 30.35 C ATOM 0 H ILE A 148 13.145 4.047 2.590 1.00 74.42 H new ATOM 0 HA ILE A 148 14.111 5.720 0.367 1.00 74.24 H new ATOM 0 HB ILE A 148 13.292 6.643 3.149 1.00 34.33 H new ATOM 0 HG12 ILE A 148 11.538 6.524 0.686 1.00 43.01 H new ATOM 0 HG13 ILE A 148 11.602 5.167 1.793 1.00 43.01 H new ATOM 0 HG21 ILE A 148 12.875 8.720 1.892 1.00 0.03 H new ATOM 0 HG22 ILE A 148 14.551 8.173 1.649 1.00 0.03 H new ATOM 0 HG23 ILE A 148 13.334 7.908 0.377 1.00 0.03 H new ATOM 0 HD11 ILE A 148 9.663 6.551 2.213 1.00 30.35 H new ATOM 0 HD12 ILE A 148 10.772 6.589 3.605 1.00 30.35 H new ATOM 0 HD13 ILE A 148 10.707 7.967 2.480 1.00 30.35 H new ATOM 1558 N ASN A 149 16.236 6.438 1.581 1.00 71.41 N ATOM 1559 CA ASN A 149 17.571 6.619 2.104 1.00 41.54 C ATOM 1560 C ASN A 149 17.616 7.774 3.105 1.00 62.33 C ATOM 1561 O ASN A 149 18.686 8.157 3.565 1.00 1.44 O ATOM 1562 CB ASN A 149 18.552 6.877 0.933 1.00 24.11 C ATOM 1563 CG ASN A 149 18.082 7.947 -0.063 1.00 74.22 C ATOM 1564 OD1 ASN A 149 18.366 7.859 -1.255 1.00 1.52 O ATOM 1565 ND2 ASN A 149 17.393 8.962 0.406 1.00 4.42 N ATOM 0 H ASN A 149 15.998 7.072 0.818 1.00 71.41 H new ATOM 0 HA ASN A 149 17.868 5.712 2.631 1.00 41.54 H new ATOM 0 HB2 ASN A 149 19.517 7.177 1.342 1.00 24.11 H new ATOM 0 HB3 ASN A 149 18.711 5.942 0.395 1.00 24.11 H new ATOM 0 HD21 ASN A 149 17.081 9.701 -0.224 1.00 4.42 H new ATOM 0 HD22 ASN A 149 17.170 9.011 1.400 1.00 4.42 H new ATOM 1572 N ASP A 150 16.454 8.317 3.447 1.00 64.52 N ATOM 1573 CA ASP A 150 16.419 9.538 4.260 1.00 23.45 C ATOM 1574 C ASP A 150 15.167 9.621 5.108 1.00 42.24 C ATOM 1575 O ASP A 150 15.224 9.698 6.331 1.00 42.15 O ATOM 1576 CB ASP A 150 16.429 10.726 3.331 1.00 51.52 C ATOM 1577 CG ASP A 150 16.666 12.049 4.041 1.00 41.11 C ATOM 1578 OD1 ASP A 150 15.729 12.597 4.662 1.00 73.01 O ATOM 1579 OD2 ASP A 150 17.799 12.568 3.975 1.00 5.12 O ATOM 0 H ASP A 150 15.541 7.946 3.184 1.00 64.52 H new ATOM 0 HA ASP A 150 17.284 9.527 4.923 1.00 23.45 H new ATOM 0 HB2 ASP A 150 17.205 10.582 2.579 1.00 51.52 H new ATOM 0 HB3 ASP A 150 15.477 10.772 2.802 1.00 51.52 H new ATOM 1584 N LEU A 151 14.027 9.517 4.443 1.00 73.04 N ATOM 1585 CA LEU A 151 12.695 9.703 5.043 1.00 53.24 C ATOM 1586 C LEU A 151 12.295 8.463 5.842 1.00 12.22 C ATOM 1587 O LEU A 151 11.157 8.286 6.231 1.00 52.14 O ATOM 1588 CB LEU A 151 11.694 9.954 3.915 1.00 62.34 C ATOM 1589 CG LEU A 151 12.079 11.054 2.923 1.00 4.11 C ATOM 1590 CD1 LEU A 151 11.471 10.792 1.573 1.00 61.22 C ATOM 1591 CD2 LEU A 151 11.592 12.374 3.405 1.00 5.13 C ATOM 0 H LEU A 151 13.991 9.296 3.448 1.00 73.04 H new ATOM 0 HA LEU A 151 12.708 10.552 5.726 1.00 53.24 H new ATOM 0 HB2 LEU A 151 11.555 9.024 3.363 1.00 62.34 H new ATOM 0 HB3 LEU A 151 10.731 10.209 4.358 1.00 62.34 H new ATOM 0 HG LEU A 151 13.166 11.060 2.841 1.00 4.11 H new ATOM 0 HD11 LEU A 151 11.758 11.587 0.884 1.00 61.22 H new ATOM 0 HD12 LEU A 151 11.828 9.835 1.192 1.00 61.22 H new ATOM 0 HD13 LEU A 151 10.385 10.764 1.662 1.00 61.22 H new ATOM 0 HD21 LEU A 151 11.872 13.148 2.691 1.00 5.13 H new ATOM 0 HD22 LEU A 151 10.507 12.347 3.504 1.00 5.13 H new ATOM 0 HD23 LEU A 151 12.040 12.595 4.374 1.00 5.13 H new ATOM 1603 N THR A 152 13.263 7.635 6.056 1.00 63.54 N ATOM 1604 CA THR A 152 13.177 6.430 6.811 1.00 54.43 C ATOM 1605 C THR A 152 13.167 6.768 8.311 1.00 74.15 C ATOM 1606 O THR A 152 12.697 5.989 9.152 1.00 53.04 O ATOM 1607 CB THR A 152 14.436 5.634 6.478 1.00 60.30 C ATOM 1608 OG1 THR A 152 14.544 5.600 5.068 1.00 61.14 O ATOM 1609 CG2 THR A 152 14.400 4.212 7.011 1.00 52.00 C ATOM 0 H THR A 152 14.199 7.794 5.682 1.00 63.54 H new ATOM 0 HA THR A 152 12.272 5.870 6.577 1.00 54.43 H new ATOM 0 HB THR A 152 15.290 6.119 6.951 1.00 60.30 H new ATOM 0 HG1 THR A 152 13.969 4.891 4.713 1.00 61.14 H new ATOM 0 HG21 THR A 152 15.323 3.699 6.741 1.00 52.00 H new ATOM 0 HG22 THR A 152 14.300 4.233 8.096 1.00 52.00 H new ATOM 0 HG23 THR A 152 13.551 3.683 6.578 1.00 52.00 H new ATOM 1617 N PHE A 153 13.669 7.942 8.623 1.00 3.23 N ATOM 1618 CA PHE A 153 13.788 8.393 9.995 1.00 10.30 C ATOM 1619 C PHE A 153 12.824 9.539 10.252 1.00 64.44 C ATOM 1620 O PHE A 153 12.018 9.889 9.371 1.00 51.34 O ATOM 1621 CB PHE A 153 15.228 8.837 10.288 1.00 32.11 C ATOM 1622 CG PHE A 153 16.263 7.763 10.083 1.00 72.40 C ATOM 1623 CD1 PHE A 153 16.544 6.854 11.089 1.00 43.24 C ATOM 1624 CD2 PHE A 153 16.958 7.668 8.884 1.00 25.45 C ATOM 1625 CE1 PHE A 153 17.495 5.872 10.906 1.00 2.21 C ATOM 1626 CE2 PHE A 153 17.910 6.687 8.696 1.00 74.12 C ATOM 1627 CZ PHE A 153 18.181 5.787 9.708 1.00 54.12 C ATOM 0 H PHE A 153 14.007 8.613 7.933 1.00 3.23 H new ATOM 0 HA PHE A 153 13.538 7.565 10.658 1.00 10.30 H new ATOM 0 HB2 PHE A 153 15.471 9.686 9.649 1.00 32.11 H new ATOM 0 HB3 PHE A 153 15.285 9.188 11.319 1.00 32.11 H new ATOM 0 HD1 PHE A 153 16.013 6.915 12.027 1.00 43.24 H new ATOM 0 HD2 PHE A 153 16.751 8.370 8.090 1.00 25.45 H new ATOM 0 HE1 PHE A 153 17.704 5.169 11.699 1.00 2.21 H new ATOM 0 HE2 PHE A 153 18.443 6.623 7.759 1.00 74.12 H new ATOM 0 HZ PHE A 153 18.927 5.019 9.564 1.00 54.12 H new TER 1637 PHE A 153 HETATM 1638 ZN ZN A 205 -6.693 -4.381 2.882 1.00 62.31 ZN HETATM 1639 ZN ZN A 305 5.924 4.464 3.906 1.00 54.43 ZN