USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HD1:sc= -1.48 K(o=-2.7,f=0.088) USER MOD Set 1.2: A 73 GLN : amide:sc= -1.2 K(o=-2.7,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.611 K(o=-0.61,f=-0.058) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.42! C(o=-2.4!,f=-3.6!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -71:sc= -0.545 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0285) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 93:sc= 1.76 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 133:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -112.209-125.247 1.944 1.00 0.00 N ATOM 114 CA ASP A 41 -112.653-124.331 2.989 1.00 0.00 C ATOM 115 C ASP A 41 -113.788-123.440 2.496 1.00 0.00 C ATOM 116 O ASP A 41 -113.700-122.807 1.435 1.00 0.00 O ATOM 117 CB ASP A 41 -111.497-123.403 3.469 1.00 0.00 C ATOM 118 CG ASP A 41 -110.360-124.242 4.059 1.00 0.00 C ATOM 119 OD1 ASP A 41 -110.601-124.924 5.091 1.00 0.00 O ATOM 120 OD2 ASP A 41 -109.238-124.209 3.485 1.00 0.00 O ATOM 0 HA ASP A 41 -112.994-124.955 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.126-122.809 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -111.869-122.703 4.217 1.00 0.00 H new ATOM 125 N VAL A 42 -114.858-123.349 3.346 1.00 0.00 N ATOM 126 CA VAL A 42 -116.056-122.520 3.217 1.00 0.00 C ATOM 127 C VAL A 42 -115.997-121.445 4.301 1.00 0.00 C ATOM 128 O VAL A 42 -116.001-121.701 5.510 1.00 0.00 O ATOM 129 CB VAL A 42 -117.387-123.291 3.294 1.00 0.00 C ATOM 130 CG1 VAL A 42 -117.635-123.984 1.939 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.413-124.324 4.444 1.00 0.00 C ATOM 0 H VAL A 42 -114.887-123.906 4.200 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.048-122.090 2.215 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.182-122.577 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -118.575-124.534 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -117.687-123.233 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -116.819-124.675 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.375-124.837 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -116.614-125.051 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -117.268-123.813 5.396 1.00 0.00 H new ATOM 141 N ILE A 43 -115.917-120.168 3.843 1.00 0.00 N ATOM 142 CA ILE A 43 -115.760-118.963 4.668 1.00 0.00 C ATOM 143 C ILE A 43 -116.866-117.913 4.402 1.00 0.00 C ATOM 144 O ILE A 43 -117.628-118.010 3.433 1.00 0.00 O ATOM 145 CB ILE A 43 -114.341-118.382 4.505 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.918-118.258 3.024 1.00 0.00 C ATOM 147 CG2 ILE A 43 -113.329-119.225 5.318 1.00 0.00 C ATOM 148 CD1 ILE A 43 -113.240-119.479 2.385 1.00 0.00 C ATOM 0 H ILE A 43 -115.963-119.952 2.847 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.883-119.255 5.711 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.350-117.366 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -114.805-118.019 2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -113.239-117.410 2.936 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -112.329-118.808 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -113.605-119.208 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -113.339-120.253 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -112.996-119.257 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.326-119.715 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -113.916-120.333 2.424 1.00 0.00 H new ATOM 160 N THR A 44 -116.957-116.862 5.291 1.00 0.00 N ATOM 161 CA THR A 44 -117.995-115.798 5.230 1.00 0.00 C ATOM 162 C THR A 44 -117.360-114.442 4.978 1.00 0.00 C ATOM 163 O THR A 44 -116.485-114.016 5.736 1.00 0.00 O ATOM 164 CB THR A 44 -118.792-115.640 6.548 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.526-116.810 6.851 1.00 0.00 O ATOM 166 CG2 THR A 44 -119.848-114.510 6.531 1.00 0.00 C ATOM 0 H THR A 44 -116.305-116.741 6.066 1.00 0.00 H new ATOM 0 HA THR A 44 -118.661-116.108 4.425 1.00 0.00 H new ATOM 0 HB THR A 44 -118.016-115.415 7.280 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.017-116.680 7.689 1.00 0.00 H new ATOM 0 HG21 THR A 44 -120.357-114.473 7.494 1.00 0.00 H new ATOM 0 HG22 THR A 44 -119.356-113.555 6.343 1.00 0.00 H new ATOM 0 HG23 THR A 44 -120.576-114.704 5.743 1.00 0.00 H new ATOM 174 N PHE A 45 -117.815-113.719 3.920 1.00 0.00 N ATOM 175 CA PHE A 45 -117.317-112.400 3.526 1.00 0.00 C ATOM 176 C PHE A 45 -118.385-111.318 3.806 1.00 0.00 C ATOM 177 O PHE A 45 -119.516-111.453 3.331 1.00 0.00 O ATOM 178 CB PHE A 45 -116.956-112.410 2.007 1.00 0.00 C ATOM 179 CG PHE A 45 -116.060-113.578 1.635 1.00 0.00 C ATOM 180 CD1 PHE A 45 -116.605-114.841 1.455 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.710-113.427 1.354 1.00 0.00 C ATOM 182 CE1 PHE A 45 -115.821-115.920 1.135 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.923-114.506 1.023 1.00 0.00 C ATOM 184 CZ PHE A 45 -114.475-115.752 0.925 1.00 0.00 C ATOM 0 H PHE A 45 -118.558-114.059 3.310 1.00 0.00 H new ATOM 0 HA PHE A 45 -116.425-112.169 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.872-112.456 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.458-111.476 1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -117.670-114.978 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.268-112.443 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -116.263-116.902 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.868-114.368 0.840 1.00 0.00 H new ATOM 0 HZ PHE A 45 -113.854-116.602 0.683 1.00 0.00 H new ATOM 194 N GLN A 46 -118.063-110.228 4.578 1.00 0.00 N ATOM 195 CA GLN A 46 -118.971-109.141 4.968 1.00 0.00 C ATOM 196 C GLN A 46 -118.308-107.772 4.745 1.00 0.00 C ATOM 197 O GLN A 46 -117.088-107.674 4.581 1.00 0.00 O ATOM 198 CB GLN A 46 -119.433-109.260 6.464 1.00 0.00 C ATOM 199 CG GLN A 46 -120.084-110.627 6.828 1.00 0.00 C ATOM 200 CD GLN A 46 -120.719-110.734 8.232 1.00 0.00 C ATOM 201 OE1 GLN A 46 -121.189-111.801 8.637 1.00 0.00 O ATOM 202 NE2 GLN A 46 -120.738-109.611 8.994 1.00 0.00 N ATOM 0 H GLN A 46 -117.122-110.096 4.950 1.00 0.00 H new ATOM 0 HA GLN A 46 -119.854-109.228 4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -118.572-109.097 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.146-108.463 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -120.853-110.847 6.088 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -119.323-111.402 6.737 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -120.342-108.743 8.633 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -121.148-109.635 9.928 1.00 0.00 H new ATOM 211 N SER A 47 -119.101-106.657 4.753 1.00 0.00 N ATOM 212 CA SER A 47 -118.604-105.292 4.555 1.00 0.00 C ATOM 213 C SER A 47 -119.296-104.252 5.440 1.00 0.00 C ATOM 214 O SER A 47 -120.403-104.438 5.954 1.00 0.00 O ATOM 215 CB SER A 47 -118.650-104.834 3.063 1.00 0.00 C ATOM 216 OG SER A 47 -119.974-104.793 2.528 1.00 0.00 O ATOM 0 H SER A 47 -120.109-106.700 4.900 1.00 0.00 H new ATOM 0 HA SER A 47 -117.560-105.345 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.200-103.845 2.979 1.00 0.00 H new ATOM 0 HB3 SER A 47 -118.043-105.512 2.463 1.00 0.00 H new ATOM 0 HG SER A 47 -119.940-104.499 1.594 1.00 0.00 H new ATOM 222 N TYR A 48 -118.597-103.097 5.604 1.00 0.00 N ATOM 223 CA TYR A 48 -119.028-101.918 6.321 1.00 0.00 C ATOM 224 C TYR A 48 -119.006-100.889 5.201 1.00 0.00 C ATOM 225 O TYR A 48 -117.953-100.644 4.621 1.00 0.00 O ATOM 226 CB TYR A 48 -117.928-101.654 7.394 1.00 0.00 C ATOM 227 CG TYR A 48 -118.270-100.686 8.491 1.00 0.00 C ATOM 228 CD1 TYR A 48 -119.508-100.690 9.107 1.00 0.00 C ATOM 229 CD2 TYR A 48 -117.280 -99.859 8.992 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.747 -99.890 10.208 1.00 0.00 C ATOM 231 CE2 TYR A 48 -117.510 -99.072 10.100 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.742 -99.097 10.716 1.00 0.00 C ATOM 233 OH TYR A 48 -118.980 -98.298 11.851 1.00 0.00 O ATOM 0 H TYR A 48 -117.665-102.981 5.206 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.989-101.947 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.665-102.607 7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -117.037-101.288 6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -120.295-101.324 8.724 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -116.315 -99.830 8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -120.723 -99.887 10.671 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -116.726 -98.437 10.485 1.00 0.00 H new ATOM 0 HH TYR A 48 -118.166 -97.802 12.078 1.00 0.00 H new ATOM 431 N TRP A 62 -123.406-102.265 8.378 1.00 0.00 N ATOM 432 CA TRP A 62 -122.986-103.654 8.369 1.00 0.00 C ATOM 433 C TRP A 62 -124.016-104.555 7.660 1.00 0.00 C ATOM 434 O TRP A 62 -125.176-104.661 8.063 1.00 0.00 O ATOM 435 CB TRP A 62 -122.759-104.151 9.832 1.00 0.00 C ATOM 436 CG TRP A 62 -121.445-103.687 10.445 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.166-102.846 11.488 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.175-104.165 9.978 1.00 0.00 C ATOM 439 NE1 TRP A 62 -119.809-102.755 11.671 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.197-103.563 10.759 1.00 0.00 C ATOM 441 CE3 TRP A 62 -119.856-105.035 8.982 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -117.887-103.810 10.559 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -118.519-105.303 8.780 1.00 0.00 C ATOM 444 CH2 TRP A 62 -117.546-104.686 9.550 1.00 0.00 C ATOM 0 HA TRP A 62 -122.051-103.717 7.813 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.582-103.802 10.455 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -122.789-105.241 9.844 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -121.906-102.329 12.081 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -119.338-102.181 12.370 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.620-105.497 8.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.130-103.338 11.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.226-106.003 8.012 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -116.504-104.894 9.357 1.00 0.00 H new ATOM 455 N VAL A 63 -123.550-105.242 6.575 1.00 0.00 N ATOM 456 CA VAL A 63 -124.286-106.209 5.763 1.00 0.00 C ATOM 457 C VAL A 63 -123.299-107.312 5.378 1.00 0.00 C ATOM 458 O VAL A 63 -122.086-107.159 5.554 1.00 0.00 O ATOM 459 CB VAL A 63 -124.929-105.619 4.485 1.00 0.00 C ATOM 460 CG1 VAL A 63 -126.065-104.642 4.863 1.00 0.00 C ATOM 461 CG2 VAL A 63 -123.888-104.918 3.578 1.00 0.00 C ATOM 0 H VAL A 63 -122.595-105.115 6.241 1.00 0.00 H new ATOM 0 HA VAL A 63 -125.122-106.576 6.358 1.00 0.00 H new ATOM 0 HB VAL A 63 -125.345-106.449 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -126.510-104.233 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -126.827-105.173 5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -125.660-103.830 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -124.385-104.520 2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -123.417-104.103 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -123.128-105.637 3.274 1.00 0.00 H new ATOM 471 N ASP A 64 -123.795-108.440 4.786 1.00 0.00 N ATOM 472 CA ASP A 64 -123.019-109.556 4.227 1.00 0.00 C ATOM 473 C ASP A 64 -122.665-109.254 2.767 1.00 0.00 C ATOM 474 O ASP A 64 -123.419-108.557 2.099 1.00 0.00 O ATOM 475 CB ASP A 64 -123.707-110.953 4.392 1.00 0.00 C ATOM 476 CG ASP A 64 -125.108-111.057 3.767 1.00 0.00 C ATOM 477 OD1 ASP A 64 -126.046-110.392 4.280 1.00 0.00 O ATOM 478 OD2 ASP A 64 -125.250-111.815 2.770 1.00 0.00 O ATOM 0 H ASP A 64 -124.799-108.588 4.688 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.101-109.636 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -123.067-111.713 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -123.780-111.184 5.455 1.00 0.00 H new ATOM 483 N GLU A 65 -121.493-109.703 2.249 1.00 0.00 N ATOM 484 CA GLU A 65 -121.007-109.440 0.900 1.00 0.00 C ATOM 485 C GLU A 65 -121.364-110.598 -0.010 1.00 0.00 C ATOM 486 O GLU A 65 -122.046-110.428 -1.018 1.00 0.00 O ATOM 487 CB GLU A 65 -119.465-109.179 0.903 1.00 0.00 C ATOM 488 CG GLU A 65 -118.899-108.388 -0.295 1.00 0.00 C ATOM 489 CD GLU A 65 -119.256-106.899 -0.265 1.00 0.00 C ATOM 490 OE1 GLU A 65 -120.459-106.559 -0.413 1.00 0.00 O ATOM 491 OE2 GLU A 65 -118.312-106.078 -0.117 1.00 0.00 O ATOM 0 H GLU A 65 -120.848-110.278 2.792 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.490-108.539 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.212-108.642 1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -118.956-110.142 0.947 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -117.814-108.494 -0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.275-108.825 -1.220 1.00 0.00 H new ATOM 498 N PHE A 66 -120.897-111.814 0.357 1.00 0.00 N ATOM 499 CA PHE A 66 -121.120-113.041 -0.367 1.00 0.00 C ATOM 500 C PHE A 66 -120.689-114.134 0.600 1.00 0.00 C ATOM 501 O PHE A 66 -120.109-113.867 1.657 1.00 0.00 O ATOM 502 CB PHE A 66 -120.439-113.114 -1.792 1.00 0.00 C ATOM 503 CG PHE A 66 -118.927-113.057 -1.778 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.251-111.914 -1.410 1.00 0.00 C ATOM 505 CD2 PHE A 66 -118.184-114.180 -2.066 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.894-111.930 -1.201 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.812-114.182 -1.911 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.152-113.057 -1.460 1.00 0.00 C ATOM 0 H PHE A 66 -120.337-111.949 1.199 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.167-113.145 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.749-114.038 -2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.814-112.291 -2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.797-110.991 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.681-115.072 -2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.403-111.044 -0.828 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -116.249-115.074 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 66 -115.082-113.062 -1.315 1.00 0.00 H new ATOM 518 N THR A 67 -120.946-115.405 0.244 1.00 0.00 N ATOM 519 CA THR A 67 -120.582-116.576 1.037 1.00 0.00 C ATOM 520 C THR A 67 -119.894-117.430 -0.003 1.00 0.00 C ATOM 521 O THR A 67 -120.400-117.566 -1.118 1.00 0.00 O ATOM 522 CB THR A 67 -121.791-117.300 1.667 1.00 0.00 C ATOM 523 OG1 THR A 67 -122.941-117.300 0.826 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.193-116.553 2.953 1.00 0.00 C ATOM 0 H THR A 67 -121.424-115.644 -0.625 1.00 0.00 H new ATOM 0 HA THR A 67 -119.972-116.331 1.906 1.00 0.00 H new ATOM 0 HB THR A 67 -121.483-118.331 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 67 -123.674-117.772 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.047-117.052 3.412 1.00 0.00 H new ATOM 0 HG22 THR A 67 -121.355-116.553 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.462-115.525 2.708 1.00 0.00 H new ATOM 532 N ALA A 68 -118.704-117.987 0.309 1.00 0.00 N ATOM 533 CA ALA A 68 -117.954-118.693 -0.734 1.00 0.00 C ATOM 534 C ALA A 68 -116.926-119.723 -0.306 1.00 0.00 C ATOM 535 O ALA A 68 -116.448-119.792 0.830 1.00 0.00 O ATOM 536 CB ALA A 68 -117.287-117.719 -1.738 1.00 0.00 C ATOM 0 H ALA A 68 -118.265-117.962 1.229 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.754-119.271 -1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.743-118.289 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -118.054-117.115 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.594-117.067 -1.206 1.00 0.00 H new ATOM 542 N ALA A 69 -116.537-120.540 -1.326 1.00 0.00 N ATOM 543 CA ALA A 69 -115.458-121.506 -1.313 1.00 0.00 C ATOM 544 C ALA A 69 -114.214-120.832 -1.916 1.00 0.00 C ATOM 545 O ALA A 69 -114.193-120.360 -3.058 1.00 0.00 O ATOM 546 CB ALA A 69 -115.846-122.782 -2.093 1.00 0.00 C ATOM 0 H ALA A 69 -117.016-120.521 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 69 -115.247-121.821 -0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -115.018-123.490 -2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.725-123.235 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -116.069-122.522 -3.128 1.00 0.00 H new ATOM 552 N ALA A 70 -113.139-120.747 -1.109 1.00 0.00 N ATOM 553 CA ALA A 70 -111.943-120.036 -1.557 1.00 0.00 C ATOM 554 C ALA A 70 -110.836-120.373 -0.610 1.00 0.00 C ATOM 555 O ALA A 70 -111.078-120.880 0.485 1.00 0.00 O ATOM 556 CB ALA A 70 -112.145-118.500 -1.510 1.00 0.00 C ATOM 0 H ALA A 70 -113.080-121.150 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.723-120.331 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.236-118.003 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.975-118.222 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.366-118.193 -0.488 1.00 0.00 H new ATOM 562 N HIS A 71 -109.560-120.034 -0.945 1.00 0.00 N ATOM 563 CA HIS A 71 -108.485-120.165 0.014 1.00 0.00 C ATOM 564 C HIS A 71 -108.225-118.753 0.489 1.00 0.00 C ATOM 565 O HIS A 71 -107.658-117.919 -0.214 1.00 0.00 O ATOM 566 CB HIS A 71 -107.216-120.805 -0.590 1.00 0.00 C ATOM 567 CG HIS A 71 -106.326-121.371 0.481 1.00 0.00 C ATOM 568 ND1 HIS A 71 -104.954-121.291 0.485 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.658-122.104 1.580 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.526-121.977 1.573 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.526-122.495 2.263 1.00 0.00 N ATOM 0 H HIS A 71 -109.279-119.678 -1.858 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.761-120.836 0.828 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.500-121.595 -1.285 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.668-120.058 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -107.668-122.346 1.876 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.487-122.087 1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -105.473-123.058 3.112 1.00 0.00 H new ATOM 579 N VAL A 72 -108.654-118.487 1.743 1.00 0.00 N ATOM 580 CA VAL A 72 -108.588-117.188 2.418 1.00 0.00 C ATOM 581 C VAL A 72 -107.753-117.608 3.632 1.00 0.00 C ATOM 582 O VAL A 72 -108.228-118.348 4.488 1.00 0.00 O ATOM 583 CB VAL A 72 -110.024-116.585 2.643 1.00 0.00 C ATOM 584 CG1 VAL A 72 -110.162-115.032 2.780 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.921-116.987 1.450 1.00 0.00 C ATOM 0 H VAL A 72 -109.072-119.208 2.331 1.00 0.00 H new ATOM 0 HA VAL A 72 -108.138-116.341 1.901 1.00 0.00 H new ATOM 0 HB VAL A 72 -110.310-116.994 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -111.210-114.772 2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -109.577-114.689 3.633 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -109.796-114.553 1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.921-116.576 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -110.495-116.595 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.981-118.074 1.390 1.00 0.00 H new ATOM 595 N GLN A 73 -106.442-117.235 3.698 1.00 0.00 N ATOM 596 CA GLN A 73 -105.495-117.754 4.683 1.00 0.00 C ATOM 597 C GLN A 73 -104.610-116.646 5.257 1.00 0.00 C ATOM 598 O GLN A 73 -104.245-115.720 4.518 1.00 0.00 O ATOM 599 CB GLN A 73 -104.590-118.832 3.993 1.00 0.00 C ATOM 600 CG GLN A 73 -103.691-119.670 4.940 1.00 0.00 C ATOM 601 CD GLN A 73 -102.975-120.797 4.189 1.00 0.00 C ATOM 602 OE1 GLN A 73 -102.505-120.627 3.060 1.00 0.00 O ATOM 603 NE2 GLN A 73 -102.896-121.993 4.826 1.00 0.00 N ATOM 0 H GLN A 73 -106.027-116.559 3.056 1.00 0.00 H new ATOM 0 HA GLN A 73 -106.061-118.190 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -105.232-119.514 3.435 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.951-118.330 3.267 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -102.953-119.020 5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -104.299-120.094 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -103.294-122.101 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -102.438-122.783 4.372 1.00 0.00 H new ATOM 612 N PRO A 74 -104.237-116.653 6.576 1.00 0.00 N ATOM 613 CA PRO A 74 -103.327-115.685 7.191 1.00 0.00 C ATOM 614 C PRO A 74 -101.880-115.812 6.711 1.00 0.00 C ATOM 615 O PRO A 74 -101.343-116.906 6.539 1.00 0.00 O ATOM 616 CB PRO A 74 -103.475-115.926 8.710 1.00 0.00 C ATOM 617 CG PRO A 74 -103.884-117.391 8.819 1.00 0.00 C ATOM 618 CD PRO A 74 -104.751-117.593 7.576 1.00 0.00 C ATOM 0 HA PRO A 74 -103.586-114.665 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -102.540-115.733 9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -104.228-115.269 9.146 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -103.019-118.054 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -104.439-117.589 9.736 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -104.687-118.620 7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -105.801-117.397 7.795 1.00 0.00 H new ATOM 626 N ILE A 75 -101.292-114.615 6.506 1.00 0.00 N ATOM 627 CA ILE A 75 -99.957-114.273 6.030 1.00 0.00 C ATOM 628 C ILE A 75 -99.593-114.670 4.584 1.00 0.00 C ATOM 629 O ILE A 75 -100.445-114.956 3.745 1.00 0.00 O ATOM 630 CB ILE A 75 -98.798-114.356 7.051 1.00 0.00 C ATOM 631 CG1 ILE A 75 -99.235-114.665 8.507 1.00 0.00 C ATOM 632 CG2 ILE A 75 -98.053-113.000 7.005 1.00 0.00 C ATOM 633 CD1 ILE A 75 -98.061-114.757 9.492 1.00 0.00 C ATOM 0 H ILE A 75 -101.820-113.764 6.699 1.00 0.00 H new ATOM 0 HA ILE A 75 -100.094-113.196 5.932 1.00 0.00 H new ATOM 0 HB ILE A 75 -98.166-115.196 6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.922-113.889 8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -99.785-115.606 8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -97.225-113.016 7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -97.668-112.830 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -98.741-112.197 7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -98.440-114.975 10.490 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -97.385-115.552 9.179 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.524-113.809 9.507 1.00 0.00 H new ATOM 894 N GLY A 91 -101.366-109.864 8.315 1.00 0.00 N ATOM 895 CA GLY A 91 -101.659-109.792 6.893 1.00 0.00 C ATOM 896 C GLY A 91 -102.365-111.015 6.396 1.00 0.00 C ATOM 897 O GLY A 91 -102.395-112.070 7.036 1.00 0.00 O ATOM 0 HA2 GLY A 91 -102.274-108.914 6.695 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -100.730-109.661 6.339 1.00 0.00 H new ATOM 901 N TYR A 92 -102.961-110.877 5.191 1.00 0.00 N ATOM 902 CA TYR A 92 -103.702-111.888 4.462 1.00 0.00 C ATOM 903 C TYR A 92 -103.184-111.982 3.064 1.00 0.00 C ATOM 904 O TYR A 92 -102.868-110.990 2.401 1.00 0.00 O ATOM 905 CB TYR A 92 -105.239-111.621 4.385 1.00 0.00 C ATOM 906 CG TYR A 92 -105.721-111.881 5.754 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.851-113.201 6.084 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.812-110.906 6.730 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.990-113.581 7.390 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.935-111.288 8.051 1.00 0.00 C ATOM 911 CZ TYR A 92 -106.005-112.627 8.379 1.00 0.00 C ATOM 912 OH TYR A 92 -106.070-113.033 9.721 1.00 0.00 O ATOM 0 H TYR A 92 -102.925-109.993 4.683 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.557-112.815 5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.450-110.597 4.076 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.722-112.278 3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.844-113.950 5.306 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.787-109.860 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -106.088-114.626 7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -105.976-110.539 8.828 1.00 0.00 H new ATOM 0 HH TYR A 92 -105.833-112.280 10.302 1.00 0.00 H new ATOM 922 N ASN A 93 -103.158-113.233 2.558 1.00 0.00 N ATOM 923 CA ASN A 93 -102.810-113.451 1.158 1.00 0.00 C ATOM 924 C ASN A 93 -103.718-114.586 0.765 1.00 0.00 C ATOM 925 O ASN A 93 -103.754-115.630 1.410 1.00 0.00 O ATOM 926 CB ASN A 93 -101.287-113.674 0.917 1.00 0.00 C ATOM 927 CG ASN A 93 -100.777-113.420 -0.511 1.00 0.00 C ATOM 928 OD1 ASN A 93 -99.565-113.509 -0.715 1.00 0.00 O ATOM 929 ND2 ASN A 93 -101.641-113.117 -1.516 1.00 0.00 N ATOM 0 H ASN A 93 -103.369-114.078 3.088 1.00 0.00 H new ATOM 0 HA ASN A 93 -102.969-112.579 0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.735-113.026 1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.045-114.701 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -101.289-112.959 -2.460 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -102.641-113.048 -1.326 1.00 0.00 H new ATOM 936 N ILE A 94 -104.568-114.331 -0.265 1.00 0.00 N ATOM 937 CA ILE A 94 -105.674-115.211 -0.622 1.00 0.00 C ATOM 938 C ILE A 94 -105.762-115.478 -2.122 1.00 0.00 C ATOM 939 O ILE A 94 -105.420-114.607 -2.934 1.00 0.00 O ATOM 940 CB ILE A 94 -107.018-114.627 -0.099 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.817-113.701 -1.048 1.00 0.00 C ATOM 942 CG2 ILE A 94 -106.831-113.856 1.233 1.00 0.00 C ATOM 943 CD1 ILE A 94 -109.095-114.344 -1.584 1.00 0.00 C ATOM 0 H ILE A 94 -104.492-113.506 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 94 -105.480-116.170 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.609-115.536 0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -108.074-112.784 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -107.182-113.417 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -107.793-113.464 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -106.433-114.531 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -106.136-113.031 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -109.607-113.642 -2.242 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.842-115.246 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.749-114.603 -0.751 1.00 0.00 H new ATOM 955 N TYR A 95 -106.321-116.666 -2.523 1.00 0.00 N ATOM 956 CA TYR A 95 -106.725-116.943 -3.899 1.00 0.00 C ATOM 957 C TYR A 95 -108.174-117.475 -3.803 1.00 0.00 C ATOM 958 O TYR A 95 -108.489-118.364 -3.012 1.00 0.00 O ATOM 959 CB TYR A 95 -105.669-117.747 -4.747 1.00 0.00 C ATOM 960 CG TYR A 95 -106.007-119.185 -5.022 1.00 0.00 C ATOM 961 CD1 TYR A 95 -106.754-119.502 -6.140 1.00 0.00 C ATOM 962 CD2 TYR A 95 -105.738-120.165 -4.092 1.00 0.00 C ATOM 963 CE1 TYR A 95 -107.248-120.773 -6.318 1.00 0.00 C ATOM 964 CE2 TYR A 95 -106.242-121.436 -4.260 1.00 0.00 C ATOM 965 CZ TYR A 95 -106.986-121.752 -5.381 1.00 0.00 C ATOM 966 OH TYR A 95 -107.501-123.054 -5.549 1.00 0.00 O ATOM 0 H TYR A 95 -106.494-117.442 -1.884 1.00 0.00 H new ATOM 0 HA TYR A 95 -106.739-116.050 -4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -105.533-117.237 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -104.711-117.712 -4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -106.952-118.743 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.130-119.936 -3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -107.841-121.005 -7.191 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -106.054-122.191 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 95 -107.219-123.617 -4.798 1.00 0.00 H new ATOM 976 N THR A 96 -109.086-116.879 -4.605 1.00 0.00 N ATOM 977 CA THR A 96 -110.521-117.155 -4.680 1.00 0.00 C ATOM 978 C THR A 96 -110.924-117.131 -6.160 1.00 0.00 C ATOM 979 O THR A 96 -110.201-116.538 -6.970 1.00 0.00 O ATOM 980 CB THR A 96 -111.341-116.104 -3.861 1.00 0.00 C ATOM 981 OG1 THR A 96 -112.743-116.332 -3.879 1.00 0.00 O ATOM 982 CG2 THR A 96 -111.182-114.625 -4.250 1.00 0.00 C ATOM 0 H THR A 96 -108.810-116.145 -5.257 1.00 0.00 H new ATOM 0 HA THR A 96 -110.737-118.131 -4.245 1.00 0.00 H new ATOM 0 HB THR A 96 -110.894-116.265 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 96 -113.097-116.122 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 96 -111.806-114.009 -3.602 1.00 0.00 H new ATOM 0 HG22 THR A 96 -110.139-114.329 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 96 -111.488-114.487 -5.287 1.00 0.00 H new ATOM 990 N PRO A 97 -112.054-117.743 -6.621 1.00 0.00 N ATOM 991 CA PRO A 97 -112.676-117.452 -7.927 1.00 0.00 C ATOM 992 C PRO A 97 -113.230-116.001 -7.974 1.00 0.00 C ATOM 993 O PRO A 97 -113.687-115.508 -6.940 1.00 0.00 O ATOM 994 CB PRO A 97 -113.787-118.517 -8.037 1.00 0.00 C ATOM 995 CG PRO A 97 -114.159-118.857 -6.587 1.00 0.00 C ATOM 996 CD PRO A 97 -112.817-118.746 -5.868 1.00 0.00 C ATOM 0 HA PRO A 97 -111.978-117.501 -8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.648-118.134 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -113.436-119.400 -8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -114.895-118.162 -6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.584-119.857 -6.501 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -112.951-118.440 -4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.299-119.705 -5.853 1.00 0.00 H new ATOM 1004 N TYR A 98 -113.108-115.332 -9.153 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.382-113.964 -9.638 1.00 0.00 C ATOM 1006 C TYR A 98 -113.909-112.785 -8.774 1.00 0.00 C ATOM 1007 O TYR A 98 -114.446-111.801 -9.281 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.173-114.077 -10.977 1.00 0.00 C ATOM 1009 CG TYR A 98 -113.716-113.089 -12.025 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -112.411-113.092 -12.492 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -114.610-112.178 -12.554 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -112.029-112.236 -13.502 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -114.225-111.304 -13.549 1.00 0.00 C ATOM 1014 CZ TYR A 98 -112.941-111.354 -14.042 1.00 0.00 C ATOM 1015 OH TYR A 98 -112.565-110.543 -15.129 1.00 0.00 O ATOM 0 H TYR A 98 -112.736-115.865 -9.939 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.358-113.592 -9.678 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.067-115.088 -11.370 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.234-113.922 -10.779 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -111.689-113.770 -12.061 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -115.624-112.150 -12.183 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -111.014-112.256 -13.871 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -114.928-110.583 -13.940 1.00 0.00 H new ATOM 0 HH TYR A 98 -113.321-109.978 -15.393 1.00 0.00 H new ATOM 1025 N ASP A 99 -113.721-112.838 -7.436 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.109-111.832 -6.459 1.00 0.00 C ATOM 1027 C ASP A 99 -112.901-111.021 -6.001 1.00 0.00 C ATOM 1028 O ASP A 99 -111.850-111.576 -5.671 1.00 0.00 O ATOM 1029 CB ASP A 99 -114.763-112.478 -5.200 1.00 0.00 C ATOM 1030 CG ASP A 99 -116.043-113.225 -5.588 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -116.965-112.572 -6.145 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -116.115-114.455 -5.327 1.00 0.00 O ATOM 0 H ASP A 99 -113.266-113.638 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 99 -114.832-111.183 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -114.061-113.166 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -114.993-111.706 -4.465 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.067-109.669 -5.938 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.106-108.673 -5.445 1.00 0.00 C ATOM 1039 C ASP A 100 -112.587-108.148 -4.086 1.00 0.00 C ATOM 1040 O ASP A 100 -112.252-107.054 -3.639 1.00 0.00 O ATOM 1041 CB ASP A 100 -111.901-107.521 -6.484 1.00 0.00 C ATOM 1042 CG ASP A 100 -113.212-106.980 -7.080 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -113.952-106.264 -6.356 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -113.480-107.278 -8.275 1.00 0.00 O ATOM 0 H ASP A 100 -113.933-109.232 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.130-109.140 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -111.366-106.702 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -111.267-107.883 -7.294 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.470-108.966 -3.471 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.341-108.681 -2.359 1.00 0.00 C ATOM 1051 C ARG A 101 -113.951-109.185 -0.971 1.00 0.00 C ATOM 1052 O ARG A 101 -114.712-108.948 -0.035 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.740-109.247 -2.745 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.240-108.875 -4.157 1.00 0.00 C ATOM 1055 CD ARG A 101 -117.570-109.543 -4.553 1.00 0.00 C ATOM 1056 NE ARG A 101 -118.714-108.860 -3.859 1.00 0.00 N ATOM 1057 CZ ARG A 101 -120.020-109.228 -4.047 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -120.343-110.300 -4.828 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -121.012-108.512 -3.441 1.00 0.00 N ATOM 0 H ARG A 101 -113.585-109.929 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.295-107.600 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.708-110.334 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.469-108.894 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -116.359-107.793 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -115.477-109.151 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.705-109.490 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -117.550-110.599 -4.285 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.510-108.090 -3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -119.607-110.841 -5.282 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -121.321-110.561 -4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -120.778-107.711 -2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -121.988-108.778 -3.575 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.792-109.883 -0.723 1.00 0.00 N ATOM 1074 CA ILE A 102 -112.394-110.329 0.612 1.00 0.00 C ATOM 1075 C ILE A 102 -111.801-109.219 1.473 1.00 0.00 C ATOM 1076 O ILE A 102 -112.368-108.875 2.500 1.00 0.00 O ATOM 1077 CB ILE A 102 -111.628-111.674 0.591 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.139-111.731 1.040 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -111.845-112.340 -0.798 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -109.890-111.650 2.555 1.00 0.00 C ATOM 0 H ILE A 102 -112.128-110.139 -1.454 1.00 0.00 H new ATOM 0 HA ILE A 102 -113.308-110.574 1.152 1.00 0.00 H new ATOM 0 HB ILE A 102 -112.076-112.235 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -109.703-112.659 0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.603-110.913 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -111.312-113.290 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -112.909-112.514 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -111.465-111.682 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -108.819-111.699 2.751 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -110.286-110.710 2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.388-112.483 3.051 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.635-108.639 1.104 1.00 0.00 N ATOM 1093 CA ASP A 103 -109.920-107.616 1.861 1.00 0.00 C ATOM 1094 C ASP A 103 -109.772-106.339 1.036 1.00 0.00 C ATOM 1095 O ASP A 103 -109.002-106.338 0.083 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.498-108.226 2.163 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.654-107.546 3.248 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -107.723-106.301 3.376 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.917-108.283 3.959 1.00 0.00 O ATOM 0 H ASP A 103 -110.159-108.888 0.237 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.455-107.351 2.773 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.633-109.270 2.446 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -107.925-108.218 1.236 1.00 0.00 H new ATOM 1104 N LYS A 104 -110.433-105.221 1.421 1.00 0.00 N ATOM 1105 CA LYS A 104 -110.350-103.910 0.772 1.00 0.00 C ATOM 1106 C LYS A 104 -111.466-103.074 1.374 1.00 0.00 C ATOM 1107 O LYS A 104 -112.378-102.674 0.661 1.00 0.00 O ATOM 1108 CB LYS A 104 -110.491-103.882 -0.796 1.00 0.00 C ATOM 1109 CG LYS A 104 -110.111-102.547 -1.475 1.00 0.00 C ATOM 1110 CD LYS A 104 -110.327-102.585 -2.994 1.00 0.00 C ATOM 1111 CE LYS A 104 -109.692-101.390 -3.716 1.00 0.00 C ATOM 1112 NZ LYS A 104 -109.887-101.492 -5.181 1.00 0.00 N ATOM 0 H LYS A 104 -111.061-105.218 2.225 1.00 0.00 H new ATOM 0 HA LYS A 104 -109.342-103.536 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -109.867-104.672 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -111.523-104.120 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -110.706-101.741 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -109.066-102.319 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -109.908-103.509 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -111.396-102.604 -3.204 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -110.133-100.463 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -108.627-101.347 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -109.449-100.672 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -109.445-102.366 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -110.905-101.509 -5.395 1.00 0.00 H new ATOM 1126 N LYS A 105 -111.468-102.825 2.722 1.00 0.00 N ATOM 1127 CA LYS A 105 -112.524-102.096 3.461 1.00 0.00 C ATOM 1128 C LYS A 105 -113.763-102.984 3.659 1.00 0.00 C ATOM 1129 O LYS A 105 -114.922-102.656 3.386 1.00 0.00 O ATOM 1130 CB LYS A 105 -112.837-100.655 2.943 1.00 0.00 C ATOM 1131 CG LYS A 105 -113.741 -99.777 3.846 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.143 -99.462 5.228 1.00 0.00 C ATOM 1133 CE LYS A 105 -114.097 -98.672 6.138 1.00 0.00 C ATOM 1134 NZ LYS A 105 -114.406 -97.339 5.571 1.00 0.00 N ATOM 0 H LYS A 105 -110.711-103.138 3.330 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.112-101.888 4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -111.892-100.133 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -113.311-100.739 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -113.948 -98.839 3.330 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -114.697-100.282 3.984 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -112.873-100.396 5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -112.223 -98.893 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -115.021 -99.234 6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -113.647 -98.554 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -114.997 -96.806 6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -113.521 -96.820 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -114.918 -97.454 4.673 1.00 0.00 H new ATOM 1148 N MET A 106 -113.433-104.208 4.133 1.00 0.00 N ATOM 1149 CA MET A 106 -114.323-105.325 4.352 1.00 0.00 C ATOM 1150 C MET A 106 -113.898-106.014 5.633 1.00 0.00 C ATOM 1151 O MET A 106 -112.941-105.617 6.305 1.00 0.00 O ATOM 1152 CB MET A 106 -114.227-106.337 3.168 1.00 0.00 C ATOM 1153 CG MET A 106 -114.807-105.817 1.837 1.00 0.00 C ATOM 1154 SD MET A 106 -113.658-105.872 0.433 1.00 0.00 S ATOM 1155 CE MET A 106 -114.713-104.939 -0.707 1.00 0.00 C ATOM 0 H MET A 106 -112.470-104.435 4.383 1.00 0.00 H new ATOM 0 HA MET A 106 -115.351-104.971 4.422 1.00 0.00 H new ATOM 0 HB2 MET A 106 -113.181-106.601 3.016 1.00 0.00 H new ATOM 0 HB3 MET A 106 -114.750-107.252 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 106 -115.691-106.404 1.588 1.00 0.00 H new ATOM 0 HG3 MET A 106 -115.137-104.788 1.978 1.00 0.00 H new ATOM 0 HE1 MET A 106 -114.209-104.837 -1.668 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.656-105.468 -0.845 1.00 0.00 H new ATOM 0 HE3 MET A 106 -114.909-103.950 -0.294 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.609-107.116 5.960 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.373-107.963 7.111 1.00 0.00 C ATOM 1167 C ARG A 107 -114.682-109.411 6.728 1.00 0.00 C ATOM 1168 O ARG A 107 -115.739-109.713 6.172 1.00 0.00 O ATOM 1169 CB ARG A 107 -115.294-107.484 8.269 1.00 0.00 C ATOM 1170 CG ARG A 107 -114.989-108.104 9.638 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.821-107.519 10.784 1.00 0.00 C ATOM 1172 NE ARG A 107 -115.355-108.150 12.068 1.00 0.00 N ATOM 1173 CZ ARG A 107 -115.725-107.692 13.304 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -116.587-106.642 13.433 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -115.223-108.296 14.421 1.00 0.00 N ATOM 0 H ARG A 107 -115.393-107.438 5.393 1.00 0.00 H new ATOM 0 HA ARG A 107 -113.335-107.904 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.214-106.400 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.328-107.709 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -115.165-109.179 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -113.931-107.964 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.702-106.436 10.827 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -116.881-107.717 10.625 1.00 0.00 H new ATOM 0 HE ARG A 107 -114.734-108.957 12.015 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -116.965-106.187 12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -116.853-106.312 14.361 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -114.578-109.081 14.330 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -115.493-107.962 15.346 1.00 0.00 H new ATOM 1189 N VAL A 108 -113.788-110.387 7.020 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.070-111.790 6.720 1.00 0.00 C ATOM 1191 C VAL A 108 -113.793-112.636 7.941 1.00 0.00 C ATOM 1192 O VAL A 108 -113.110-112.261 8.910 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.508-112.412 5.413 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -113.450-111.404 4.248 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -112.162-113.134 5.575 1.00 0.00 C ATOM 0 H VAL A 108 -112.881-110.221 7.457 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.132-111.789 6.473 1.00 0.00 H new ATOM 0 HB VAL A 108 -114.236-113.183 5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -113.049-111.895 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -114.453-111.035 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -112.806-110.568 4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -111.847-113.536 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -111.413-112.430 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -112.270-113.949 6.291 1.00 0.00 H new ATOM 1205 N ILE A 109 -114.400-113.845 7.856 1.00 0.00 N ATOM 1206 CA ILE A 109 -114.370-114.896 8.826 1.00 0.00 C ATOM 1207 C ILE A 109 -113.711-116.104 8.175 1.00 0.00 C ATOM 1208 O ILE A 109 -114.358-116.803 7.384 1.00 0.00 O ATOM 1209 CB ILE A 109 -115.797-115.241 9.307 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -116.647-113.953 9.490 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -115.698-116.084 10.599 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.065-114.178 10.011 1.00 0.00 C ATOM 0 H ILE A 109 -114.955-114.100 7.039 1.00 0.00 H new ATOM 0 HA ILE A 109 -113.804-114.584 9.704 1.00 0.00 H new ATOM 0 HB ILE A 109 -116.314-115.835 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -116.126-113.288 10.178 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.707-113.437 8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -116.700-116.334 10.948 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.146-117.001 10.394 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.178-115.512 11.368 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.575-113.219 10.104 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -118.612-114.814 9.315 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.022-114.662 10.987 1.00 0.00 H new ATOM 1224 N TYR A 110 -112.450-116.407 8.612 1.00 0.00 N ATOM 1225 CA TYR A 110 -111.666-117.581 8.257 1.00 0.00 C ATOM 1226 C TYR A 110 -111.903-118.644 9.344 1.00 0.00 C ATOM 1227 O TYR A 110 -111.121-118.759 10.279 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.128-117.280 8.349 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.771-115.973 7.745 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.757-114.810 8.495 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -109.387-115.938 6.434 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -109.439-113.609 7.903 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -108.984-114.757 5.869 1.00 0.00 C ATOM 1234 CZ TYR A 110 -109.071-113.591 6.578 1.00 0.00 C ATOM 1235 OH TYR A 110 -108.777-112.392 5.921 1.00 0.00 O ATOM 0 H TYR A 110 -111.949-115.792 9.253 1.00 0.00 H new ATOM 0 HA TYR A 110 -111.952-117.888 7.251 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -109.820-117.290 9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -109.575-118.073 7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -109.996-114.845 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -109.401-116.842 5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -109.478-112.692 8.472 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -108.597-114.747 4.861 1.00 0.00 H new ATOM 0 HH TYR A 110 -107.814-112.218 5.973 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.017-119.427 9.255 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.438-120.489 10.180 1.00 0.00 C ATOM 1247 C ARG A 111 -113.603-120.093 11.671 1.00 0.00 C ATOM 1248 O ARG A 111 -113.115-120.749 12.588 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.552-121.754 9.994 1.00 0.00 C ATOM 1250 CG ARG A 111 -113.232-123.079 10.395 1.00 0.00 C ATOM 1251 CD ARG A 111 -112.347-124.313 10.161 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.151-124.223 11.071 1.00 0.00 N ATOM 1253 CZ ARG A 111 -110.103-125.103 11.026 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.086-126.129 10.126 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -109.061-124.950 11.895 1.00 0.00 N ATOM 0 H ARG A 111 -113.676-119.316 8.484 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.464-120.714 9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -112.248-121.818 8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.643-121.635 10.583 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -113.508-123.033 11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -114.156-123.191 9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -112.908-125.225 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -112.028-124.358 9.120 1.00 0.00 H new ATOM 0 HE ARG A 111 -111.120-123.468 11.756 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -110.861-126.249 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.298-126.776 10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -109.068-124.185 12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -108.276-125.600 11.869 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.294-118.948 11.922 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.487-118.316 13.233 1.00 0.00 C ATOM 1271 C GLY A 112 -113.482-117.249 13.629 1.00 0.00 C ATOM 1272 O GLY A 112 -113.559-116.716 14.731 1.00 0.00 O ATOM 0 H GLY A 112 -114.748-118.425 11.173 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.482-117.871 13.253 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.472-119.097 13.993 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.525-116.879 12.739 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.515-115.844 12.955 1.00 0.00 C ATOM 1278 C LYS A 113 -111.951-114.549 12.272 1.00 0.00 C ATOM 1279 O LYS A 113 -111.897-114.437 11.048 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.139-116.279 12.388 1.00 0.00 C ATOM 1281 CG LYS A 113 -109.587-117.575 13.006 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.360-118.080 12.234 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.800-119.400 12.779 1.00 0.00 C ATOM 1284 NZ LYS A 113 -106.645-119.855 11.970 1.00 0.00 N ATOM 0 H LYS A 113 -112.444-117.318 11.822 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.416-115.687 14.029 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.228-116.412 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.420-115.476 12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.317-117.398 14.047 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -110.362-118.341 13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.628-118.213 11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -107.579-117.320 12.269 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.494-119.269 13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -108.579-120.162 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -106.282-120.750 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -106.946-120.000 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -105.895-119.135 12.000 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.422-113.557 13.075 1.00 0.00 N ATOM 1299 CA ILE A 114 -112.965-112.272 12.652 1.00 0.00 C ATOM 1300 C ILE A 114 -111.906-111.163 12.617 1.00 0.00 C ATOM 1301 O ILE A 114 -111.419-110.719 13.657 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.204-111.868 13.486 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -114.032-111.670 15.027 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -115.336-112.878 13.199 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -113.672-112.893 15.887 1.00 0.00 C ATOM 0 H ILE A 114 -112.425-113.656 14.090 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.300-112.403 11.623 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.432-110.856 13.151 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.259-110.917 15.180 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -114.962-111.255 15.414 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -116.219-112.609 13.779 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -115.580-112.859 12.137 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.009-113.880 13.479 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -113.589-112.592 16.931 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.451-113.649 15.789 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -112.721-113.306 15.552 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.530-110.696 11.385 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.560-109.602 11.157 1.00 0.00 C ATOM 1319 C VAL A 115 -111.158-108.577 10.167 1.00 0.00 C ATOM 1320 O VAL A 115 -111.779-108.961 9.170 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.173-110.093 10.674 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.142-108.942 10.580 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -108.594-111.156 11.638 1.00 0.00 C ATOM 0 H VAL A 115 -111.904-111.082 10.518 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.383-109.127 12.122 1.00 0.00 H new ATOM 0 HB VAL A 115 -109.337-110.517 9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.186-109.337 10.237 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.498-108.191 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -108.015-108.486 11.562 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -107.620-111.484 11.275 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -108.484-110.724 12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -109.269-112.010 11.686 1.00 0.00 H new ATOM 1333 N THR A 116 -110.957-107.241 10.445 1.00 0.00 N ATOM 1334 CA THR A 116 -111.376-106.046 9.683 1.00 0.00 C ATOM 1335 C THR A 116 -110.140-105.482 8.995 1.00 0.00 C ATOM 1336 O THR A 116 -109.104-105.340 9.638 1.00 0.00 O ATOM 1337 CB THR A 116 -111.965-104.939 10.578 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.986-105.453 11.415 1.00 0.00 O ATOM 1339 CG2 THR A 116 -112.610-103.813 9.747 1.00 0.00 C ATOM 0 H THR A 116 -110.450-106.969 11.288 1.00 0.00 H new ATOM 0 HA THR A 116 -112.152-106.351 8.981 1.00 0.00 H new ATOM 0 HB THR A 116 -111.130-104.552 11.162 1.00 0.00 H new ATOM 0 HG1 THR A 116 -113.344-104.733 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 116 -113.013-103.053 10.416 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.858-103.364 9.098 1.00 0.00 H new ATOM 0 HG23 THR A 116 -113.415-104.225 9.139 1.00 0.00 H new ATOM 1347 N PHE A 117 -110.195-105.168 7.668 1.00 0.00 N ATOM 1348 CA PHE A 117 -108.982-104.801 6.941 1.00 0.00 C ATOM 1349 C PHE A 117 -109.191-104.038 5.641 1.00 0.00 C ATOM 1350 O PHE A 117 -110.265-104.058 5.029 1.00 0.00 O ATOM 1351 CB PHE A 117 -108.133-106.088 6.645 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.970-107.330 6.339 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -110.091-107.359 5.505 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.636-108.493 7.009 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.853-108.498 5.388 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -109.413-109.622 6.904 1.00 0.00 C ATOM 1357 CZ PHE A 117 -110.516-109.631 6.085 1.00 0.00 C ATOM 0 H PHE A 117 -111.048-105.166 7.109 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.463-104.109 7.604 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.474-105.889 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.495-106.295 7.504 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.362-106.476 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.749-108.514 7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.720-108.501 4.745 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -109.155-110.506 7.468 1.00 0.00 H new ATOM 0 HZ PHE A 117 -111.115-110.525 5.990 1.00 0.00 H new ATOM 1367 N ILE A 118 -108.078-103.414 5.164 1.00 0.00 N ATOM 1368 CA ILE A 118 -107.917-102.719 3.897 1.00 0.00 C ATOM 1369 C ILE A 118 -106.703-103.357 3.216 1.00 0.00 C ATOM 1370 O ILE A 118 -105.778-103.814 3.889 1.00 0.00 O ATOM 1371 CB ILE A 118 -107.865-101.198 4.073 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -107.987-100.444 2.724 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -106.653-100.744 4.920 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -108.466 -99.000 2.894 1.00 0.00 C ATOM 0 H ILE A 118 -107.218-103.394 5.711 1.00 0.00 H new ATOM 0 HA ILE A 118 -108.781-102.837 3.243 1.00 0.00 H new ATOM 0 HB ILE A 118 -108.747-100.918 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -107.019-100.444 2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -108.681-100.979 2.075 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -106.662 -99.658 5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -106.712-101.195 5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -105.730-101.058 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -108.533 -98.521 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -109.448 -98.996 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -107.759 -98.453 3.518 1.00 0.00 H new ATOM 1386 N GLY A 119 -106.733-103.501 1.859 1.00 0.00 N ATOM 1387 CA GLY A 119 -105.770-104.272 1.077 1.00 0.00 C ATOM 1388 C GLY A 119 -105.955-103.983 -0.393 1.00 0.00 C ATOM 1389 O GLY A 119 -106.668-103.043 -0.739 1.00 0.00 O ATOM 0 H GLY A 119 -107.453-103.066 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -104.755-104.018 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -105.903-105.337 1.267 1.00 0.00 H new ATOM 1393 N ASP A 120 -105.299-104.764 -1.304 1.00 0.00 N ATOM 1394 CA ASP A 120 -105.281-104.544 -2.757 1.00 0.00 C ATOM 1395 C ASP A 120 -105.607-105.814 -3.586 1.00 0.00 C ATOM 1396 O ASP A 120 -105.008-106.867 -3.323 1.00 0.00 O ATOM 1397 CB ASP A 120 -103.872-104.065 -3.230 1.00 0.00 C ATOM 1398 CG ASP A 120 -103.500-102.737 -2.558 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -104.206-101.727 -2.816 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -102.507-102.721 -1.782 1.00 0.00 O ATOM 0 H ASP A 120 -104.758-105.582 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 120 -106.052-103.793 -2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -103.125-104.822 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -103.868-103.945 -4.313 1.00 0.00 H new ATOM 1405 N PRO A 121 -106.549-105.789 -4.573 1.00 0.00 N ATOM 1406 CA PRO A 121 -106.880-106.924 -5.434 1.00 0.00 C ATOM 1407 C PRO A 121 -106.224-106.877 -6.838 1.00 0.00 C ATOM 1408 O PRO A 121 -106.069-105.812 -7.443 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.407-106.744 -5.564 1.00 0.00 C ATOM 1410 CG PRO A 121 -108.633-105.226 -5.619 1.00 0.00 C ATOM 1411 CD PRO A 121 -107.466-104.665 -4.793 1.00 0.00 C ATOM 0 HA PRO A 121 -106.531-107.871 -5.022 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -108.785-107.231 -6.463 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.929-107.189 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -108.616-104.854 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -109.597-104.947 -5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -106.968-103.853 -5.323 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -107.819-104.258 -3.845 1.00 0.00 H new ATOM 1419 N VAL A 122 -105.911-108.074 -7.413 1.00 0.00 N ATOM 1420 CA VAL A 122 -105.491-108.277 -8.801 1.00 0.00 C ATOM 1421 C VAL A 122 -106.274-109.446 -9.428 1.00 0.00 C ATOM 1422 O VAL A 122 -106.411-110.529 -8.854 1.00 0.00 O ATOM 1423 CB VAL A 122 -103.968-108.374 -8.990 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -103.341-109.608 -8.313 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -103.584-108.294 -10.487 1.00 0.00 C ATOM 0 H VAL A 122 -105.951-108.948 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 122 -105.749-107.374 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 122 -103.545-107.509 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -102.265-109.611 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -103.534-109.572 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -103.779-110.514 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -102.501-108.365 -10.589 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -104.054-109.115 -11.028 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -103.926-107.345 -10.900 1.00 0.00 H new ATOM 1435 N ASP A 123 -106.805-109.246 -10.666 1.00 0.00 N ATOM 1436 CA ASP A 123 -107.471-110.240 -11.509 1.00 0.00 C ATOM 1437 C ASP A 123 -106.520-110.719 -12.605 1.00 0.00 C ATOM 1438 O ASP A 123 -105.624-109.987 -13.014 1.00 0.00 O ATOM 1439 CB ASP A 123 -108.814-109.709 -12.129 1.00 0.00 C ATOM 1440 CG ASP A 123 -108.691-108.416 -12.958 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -108.356-107.354 -12.370 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -108.949-108.483 -14.189 1.00 0.00 O ATOM 0 H ASP A 123 -106.770-108.330 -11.114 1.00 0.00 H new ATOM 0 HA ASP A 123 -107.737-111.081 -10.869 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -109.235-110.489 -12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -109.525-109.537 -11.321 1.00 0.00 H new ATOM 1520 N GLU A 129 -110.715-117.610 -14.527 1.00 0.00 N ATOM 1521 CA GLU A 129 -111.542-116.747 -13.676 1.00 0.00 C ATOM 1522 C GLU A 129 -111.173-116.717 -12.192 1.00 0.00 C ATOM 1523 O GLU A 129 -111.997-116.896 -11.297 1.00 0.00 O ATOM 1524 CB GLU A 129 -113.044-117.118 -13.834 1.00 0.00 C ATOM 1525 CG GLU A 129 -113.563-117.044 -15.285 1.00 0.00 C ATOM 1526 CD GLU A 129 -113.436-115.619 -15.825 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -114.074-114.702 -15.239 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -112.701-115.430 -16.831 1.00 0.00 O ATOM 0 HA GLU A 129 -111.341-115.738 -14.037 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -113.199-118.128 -13.455 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -113.639-116.450 -13.212 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -112.998-117.730 -15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -114.605-117.362 -15.322 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.882-116.446 -11.907 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.322-116.357 -10.575 1.00 0.00 C ATOM 1537 C ILE A 130 -108.703-114.990 -10.375 1.00 0.00 C ATOM 1538 O ILE A 130 -108.001-114.426 -11.222 1.00 0.00 O ATOM 1539 CB ILE A 130 -108.356-117.498 -10.237 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -107.401-117.804 -11.413 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -109.205-118.730 -9.843 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -106.291-118.798 -11.066 1.00 0.00 C ATOM 0 H ILE A 130 -109.189-116.280 -12.637 1.00 0.00 H new ATOM 0 HA ILE A 130 -110.139-116.479 -9.864 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.713-117.212 -9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -107.982-118.199 -12.247 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -106.948-116.872 -11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -108.546-119.562 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -109.821-118.486 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -109.847-119.011 -10.678 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -105.662-118.962 -11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -105.685-118.397 -10.254 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -106.734-119.744 -10.755 1.00 0.00 H new ATOM 1554 N THR A 131 -108.991-114.464 -9.159 1.00 0.00 N ATOM 1555 CA THR A 131 -108.553-113.220 -8.549 1.00 0.00 C ATOM 1556 C THR A 131 -107.660-113.567 -7.365 1.00 0.00 C ATOM 1557 O THR A 131 -107.901-114.528 -6.620 1.00 0.00 O ATOM 1558 CB THR A 131 -109.700-112.329 -8.056 1.00 0.00 C ATOM 1559 OG1 THR A 131 -110.736-113.102 -7.465 1.00 0.00 O ATOM 1560 CG2 THR A 131 -110.320-111.556 -9.227 1.00 0.00 C ATOM 0 H THR A 131 -109.607-114.972 -8.524 1.00 0.00 H new ATOM 0 HA THR A 131 -108.029-112.651 -9.317 1.00 0.00 H new ATOM 0 HB THR A 131 -109.276-111.646 -7.320 1.00 0.00 H new ATOM 0 HG1 THR A 131 -110.994-112.702 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 131 -111.132-110.929 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 131 -109.559-110.929 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 131 -110.709-112.260 -9.962 1.00 0.00 H new ATOM 1568 N ARG A 132 -106.589-112.746 -7.173 1.00 0.00 N ATOM 1569 CA ARG A 132 -105.657-112.807 -6.070 1.00 0.00 C ATOM 1570 C ARG A 132 -105.827-111.507 -5.308 1.00 0.00 C ATOM 1571 O ARG A 132 -105.927-110.412 -5.875 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.187-112.994 -6.534 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.145-113.096 -5.397 1.00 0.00 C ATOM 1574 CD ARG A 132 -101.721-113.317 -5.927 1.00 0.00 C ATOM 1575 NE ARG A 132 -100.776-113.360 -4.756 1.00 0.00 N ATOM 1576 CZ ARG A 132 -99.414-113.333 -4.890 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -98.831-113.263 -6.122 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -98.628-113.370 -3.774 1.00 0.00 N ATOM 0 H ARG A 132 -106.364-111.997 -7.828 1.00 0.00 H new ATOM 0 HA ARG A 132 -105.869-113.676 -5.446 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -104.127-113.897 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -103.917-112.157 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.171-112.184 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -103.414-113.918 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -101.667-114.248 -6.491 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -101.442-112.514 -6.609 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.170-113.412 -3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -99.412-113.230 -6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -97.815-113.244 -6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.057-113.417 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -97.612-113.350 -3.865 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.868-111.632 -3.961 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.967-110.522 -3.028 1.00 0.00 C ATOM 1594 C ILE A 133 -104.736-110.620 -2.141 1.00 0.00 C ATOM 1595 O ILE A 133 -104.408-111.686 -1.599 1.00 0.00 O ATOM 1596 CB ILE A 133 -107.258-110.465 -2.192 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -108.517-110.910 -2.986 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -107.432-109.047 -1.601 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -108.938-109.977 -4.121 1.00 0.00 C ATOM 0 H ILE A 133 -105.831-112.539 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 133 -106.013-109.593 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.156-111.184 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -108.333-111.901 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -109.350-111.007 -2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -108.347-109.009 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -106.579-108.811 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -107.493-108.320 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -109.825-110.377 -4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -109.161-108.990 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -108.128-109.897 -4.846 1.00 0.00 H new